*HEADER    TRANSCRIPTION                           12-DEC-08   2KBY              
*TITLE     THE TETRAMERIZATION DOMAIN OF HUMAN P73                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TUMOR PROTEIN P73;                                         
*COMPND   3 CHAIN: A, B, C, D;                                                   
*COMPND   4 FRAGMENT: TETRAMERIZATION DOMAIN, UNP RESIDUES 351-398;              
*COMPND   5 SYNONYM: P53-LIKE TRANSCRIPTION FACTOR, P53-RELATED                  
*COMPND   6 PROTEIN;                                                             
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: P73, TP73;                                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PBH4                                      
*KEYWDS    TETRAMERIZATION DOMAIN, ACTIVATOR, ALTERNATIVE SPLICING,              
*KEYWDS   2 ANTI-ONCOGENE, APOPTOSIS, CELL CYCLE, DNA-BINDING, METAL-            
*KEYWDS   3 BINDING, NUCLEUS, PHOSPHOPROTEIN, TRANSCRIPTION,                     
*KEYWDS   4 TRANSCRIPTION REGULATION, UBL CONJUGATION, ZINC                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.COUTANDIN, T.IKEYA, F.LOEHR, P.GUNTERT, H.D.OU, V.DOETSCH           
*REVDAT   1   29-SEP-09 2KBY    0                                                


!! 
assign (segid "   A" and resid 3 and name    C)    (segid "   A" and resid 4 and name    N)
       (segid "   A" and resid 4 and name   CA)    (segid "   A" and resid 4 and name    C)     1.0   -100.8     33.2   2

assign (segid "   A" and resid 4 and name    N)    (segid "   A" and resid 4 and name   CA)
       (segid "   A" and resid 4 and name    C)    (segid "   A" and resid 5 and name    N)     1.0    135.3     13.8   2

assign (segid "   A" and resid 4 and name    C)    (segid "   A" and resid 5 and name    N)
       (segid "   A" and resid 5 and name   CA)    (segid "   A" and resid 5 and name    C)     1.0   -126.4     21.5   2

assign (segid "   A" and resid 5 and name    N)    (segid "   A" and resid 5 and name   CA)
       (segid "   A" and resid 5 and name    C)    (segid "   A" and resid 6 and name    N)     1.0    166.2     26.1   2

assign (segid "   A" and resid 5 and name    C)    (segid "   A" and resid 6 and name    N)
       (segid "   A" and resid 6 and name   CA)    (segid "   A" and resid 6 and name    C)     1.0   -126.0     15.4   2

assign (segid "   A" and resid 6 and name    N)    (segid "   A" and resid 6 and name   CA)
       (segid "   A" and resid 6 and name    C)    (segid "   A" and resid 7 and name    N)     1.0    133.0     18.2   2

assign (segid "   A" and resid 6 and name    C)    (segid "   A" and resid 7 and name    N)
       (segid "   A" and resid 7 and name   CA)    (segid "   A" and resid 7 and name    C)     1.0   -127.3     17.3   2

assign (segid "   A" and resid 7 and name    N)    (segid "   A" and resid 7 and name   CA)
       (segid "   A" and resid 7 and name    C)    (segid "   A" and resid 8 and name    N)     1.0    131.7     17.8   2

assign (segid "   A" and resid 7 and name    C)    (segid "   A" and resid 8 and name    N)
       (segid "   A" and resid 8 and name   CA)    (segid "   A" and resid 8 and name    C)     1.0   -104.0     20.4   2

assign (segid "   A" and resid 8 and name    N)    (segid "   A" and resid 8 and name   CA)
       (segid "   A" and resid 8 and name    C)    (segid "   A" and resid 9 and name    N)     1.0    124.0     15.3   2

assign (segid "   A" and resid 8 and name    C)    (segid "   A" and resid 9 and name    N)
       (segid "   A" and resid 9 and name   CA)    (segid "   A" and resid 9 and name    C)     1.0   -119.2     10.8   2

assign (segid "   A" and resid 9 and name    N)    (segid "   A" and resid 9 and name   CA)
       (segid "   A" and resid 9 and name    C)    (segid "   A" and resid 10 and name    N)     1.0    127.9      8.3   2

assign (segid "   A" and resid 9 and name    C)    (segid "   A" and resid 10 and name    N)
       (segid "   A" and resid 10 and name   CA)    (segid "   A" and resid 10 and name    C)     1.0    -93.9     13.6   2

assign (segid "   A" and resid 10 and name    N)    (segid "   A" and resid 10 and name   CA)
       (segid "   A" and resid 10 and name    C)    (segid "   A" and resid 11 and name    N)     1.0    127.9     16.6   2

assign (segid "   A" and resid 11 and name    N)    (segid "   A" and resid 11 and name   CA)
       (segid "   A" and resid 11 and name    C)    (segid "   A" and resid 12 and name    N)     1.0    126.2     20.1   2

assign (segid "   A" and resid 11 and name    C)    (segid "   A" and resid 12 and name    N)
       (segid "   A" and resid 12 and name   CA)    (segid "   A" and resid 12 and name    C)     1.0    -63.1      9.5   2

assign (segid "   A" and resid 12 and name    N)    (segid "   A" and resid 12 and name   CA)
       (segid "   A" and resid 12 and name    C)    (segid "   A" and resid 13 and name    N)     1.0    -42.1      7.8   2

assign (segid "   A" and resid 12 and name    C)    (segid "   A" and resid 13 and name    N)
       (segid "   A" and resid 13 and name   CA)    (segid "   A" and resid 13 and name    C)     1.0    -58.4      4.7   2

assign (segid "   A" and resid 13 and name    N)    (segid "   A" and resid 13 and name   CA)
       (segid "   A" and resid 13 and name    C)    (segid "   A" and resid 14 and name    N)     1.0    -43.4      4.9   2

assign (segid "   A" and resid 13 and name    C)    (segid "   A" and resid 14 and name    N)
       (segid "   A" and resid 14 and name   CA)    (segid "   A" and resid 14 and name    C)     1.0    -66.4      5.6   2

assign (segid "   A" and resid 14 and name    N)    (segid "   A" and resid 14 and name   CA)
       (segid "   A" and resid 14 and name    C)    (segid "   A" and resid 15 and name    N)     1.0    -41.1      6.6   2

assign (segid "   A" and resid 14 and name    C)    (segid "   A" and resid 15 and name    N)
       (segid "   A" and resid 15 and name   CA)    (segid "   A" and resid 15 and name    C)     1.0    -63.5      7.7   2

assign (segid "   A" and resid 15 and name    N)    (segid "   A" and resid 15 and name   CA)
       (segid "   A" and resid 15 and name    C)    (segid "   A" and resid 16 and name    N)     1.0    -45.2      3.4   2

assign (segid "   A" and resid 15 and name    C)    (segid "   A" and resid 16 and name    N)
       (segid "   A" and resid 16 and name   CA)    (segid "   A" and resid 16 and name    C)     1.0    -61.0      4.2   2

assign (segid "   A" and resid 16 and name    N)    (segid "   A" and resid 16 and name   CA)
       (segid "   A" and resid 16 and name    C)    (segid "   A" and resid 17 and name    N)     1.0    -42.8      7.1   2

assign (segid "   A" and resid 16 and name    C)    (segid "   A" and resid 17 and name    N)
       (segid "   A" and resid 17 and name   CA)    (segid "   A" and resid 17 and name    C)     1.0    -63.2      3.5   2

assign (segid "   A" and resid 17 and name    N)    (segid "   A" and resid 17 and name   CA)
       (segid "   A" and resid 17 and name    C)    (segid "   A" and resid 18 and name    N)     1.0    -44.5      6.5   2

assign (segid "   A" and resid 17 and name    C)    (segid "   A" and resid 18 and name    N)
       (segid "   A" and resid 18 and name   CA)    (segid "   A" and resid 18 and name    C)     1.0    -65.8      8.6   2

assign (segid "   A" and resid 18 and name    N)    (segid "   A" and resid 18 and name   CA)
       (segid "   A" and resid 18 and name    C)    (segid "   A" and resid 19 and name    N)     1.0    -36.8      5.9   2

assign (segid "   A" and resid 18 and name    C)    (segid "   A" and resid 19 and name    N)
       (segid "   A" and resid 19 and name   CA)    (segid "   A" and resid 19 and name    C)     1.0    -66.0      7.9   2

assign (segid "   A" and resid 19 and name    N)    (segid "   A" and resid 19 and name   CA)
       (segid "   A" and resid 19 and name    C)    (segid "   A" and resid 20 and name    N)     1.0    -35.9     12.9   2

assign (segid "   A" and resid 19 and name    C)    (segid "   A" and resid 20 and name    N)
       (segid "   A" and resid 20 and name   CA)    (segid "   A" and resid 20 and name    C)     1.0    -63.9      7.0   2

assign (segid "   A" and resid 20 and name    N)    (segid "   A" and resid 20 and name   CA)
       (segid "   A" and resid 20 and name    C)    (segid "   A" and resid 21 and name    N)     1.0    -34.6     14.2   2

assign (segid "   A" and resid 20 and name    C)    (segid "   A" and resid 21 and name    N)
       (segid "   A" and resid 21 and name   CA)    (segid "   A" and resid 21 and name    C)     1.0    -66.6      4.9   2

assign (segid "   A" and resid 21 and name    N)    (segid "   A" and resid 21 and name   CA)
       (segid "   A" and resid 21 and name    C)    (segid "   A" and resid 22 and name    N)     1.0    -38.2      4.8   2

assign (segid "   A" and resid 21 and name    C)    (segid "   A" and resid 22 and name    N)
       (segid "   A" and resid 22 and name   CA)    (segid "   A" and resid 22 and name    C)     1.0    -57.8      8.2   2

assign (segid "   A" and resid 22 and name    N)    (segid "   A" and resid 22 and name   CA)
       (segid "   A" and resid 22 and name    C)    (segid "   A" and resid 23 and name    N)     1.0    -48.2      9.1   2

assign (segid "   A" and resid 22 and name    C)    (segid "   A" and resid 23 and name    N)
       (segid "   A" and resid 23 and name   CA)    (segid "   A" and resid 23 and name    C)     1.0    -62.5      4.2   2

assign (segid "   A" and resid 23 and name    N)    (segid "   A" and resid 23 and name   CA)
       (segid "   A" and resid 23 and name    C)    (segid "   A" and resid 24 and name    N)     1.0    -38.6      5.4   2

assign (segid "   A" and resid 23 and name    C)    (segid "   A" and resid 24 and name    N)
       (segid "   A" and resid 24 and name   CA)    (segid "   A" and resid 24 and name    C)     1.0    -64.0      3.9   2

assign (segid "   A" and resid 24 and name    N)    (segid "   A" and resid 24 and name   CA)
       (segid "   A" and resid 24 and name    C)    (segid "   A" and resid 25 and name    N)     1.0    -43.6      7.9   2

assign (segid "   A" and resid 24 and name    C)    (segid "   A" and resid 25 and name    N)
       (segid "   A" and resid 25 and name   CA)    (segid "   A" and resid 25 and name    C)     1.0    -66.0      4.8   2

assign (segid "   A" and resid 25 and name    N)    (segid "   A" and resid 25 and name   CA)
       (segid "   A" and resid 25 and name    C)    (segid "   A" and resid 26 and name    N)     1.0    -40.9      4.4   2

assign (segid "   A" and resid 25 and name    C)    (segid "   A" and resid 26 and name    N)
       (segid "   A" and resid 26 and name   CA)    (segid "   A" and resid 26 and name    C)     1.0    -64.1      5.6   2

assign (segid "   A" and resid 26 and name    N)    (segid "   A" and resid 26 and name   CA)
       (segid "   A" and resid 26 and name    C)    (segid "   A" and resid 27 and name    N)     1.0    -36.7     11.1   2

assign (segid "   A" and resid 26 and name    C)    (segid "   A" and resid 27 and name    N)
       (segid "   A" and resid 27 and name   CA)    (segid "   A" and resid 27 and name    C)     1.0    -76.5     14.5   2

assign (segid "   A" and resid 27 and name    N)    (segid "   A" and resid 27 and name   CA)
       (segid "   A" and resid 27 and name    C)    (segid "   A" and resid 28 and name    N)     1.0    -26.6     19.9   2

assign (segid "   A" and resid 27 and name    C)    (segid "   A" and resid 28 and name    N)
       (segid "   A" and resid 28 and name   CA)    (segid "   A" and resid 28 and name    C)     1.0    -62.5      7.8   2

assign (segid "   A" and resid 28 and name    N)    (segid "   A" and resid 28 and name   CA)
       (segid "   A" and resid 28 and name    C)    (segid "   A" and resid 29 and name    N)     1.0    -32.5     17.1   2

assign (segid "   A" and resid 28 and name    C)    (segid "   A" and resid 29 and name    N)
       (segid "   A" and resid 29 and name   CA)    (segid "   A" and resid 29 and name    C)     1.0    -74.8     13.2   2

assign (segid "   A" and resid 29 and name    N)    (segid "   A" and resid 29 and name   CA)
       (segid "   A" and resid 29 and name    C)    (segid "   A" and resid 30 and name    N)     1.0    -30.5     12.2   2

assign (segid "   A" and resid 30 and name    C)    (segid "   A" and resid 31 and name    N)
       (segid "   A" and resid 31 and name   CA)    (segid "   A" and resid 31 and name    C)     1.0    -77.0     20.4   2

assign (segid "   A" and resid 31 and name    N)    (segid "   A" and resid 31 and name   CA)
       (segid "   A" and resid 31 and name    C)    (segid "   A" and resid 32 and name    N)     1.0    135.6     10.9   2

assign (segid "   A" and resid 32 and name    C)    (segid "   A" and resid 33 and name    N)
       (segid "   A" and resid 33 and name   CA)    (segid "   A" and resid 33 and name    C)     1.0    -53.6     15.1   2

assign (segid "   A" and resid 33 and name    N)    (segid "   A" and resid 33 and name   CA)
       (segid "   A" and resid 33 and name    C)    (segid "   A" and resid 34 and name    N)     1.0    -43.5      9.9   2

assign (segid "   A" and resid 33 and name    C)    (segid "   A" and resid 34 and name    N)
       (segid "   A" and resid 34 and name   CA)    (segid "   A" and resid 34 and name    C)     1.0    -61.8     14.1   2

assign (segid "   A" and resid 34 and name    N)    (segid "   A" and resid 34 and name   CA)
       (segid "   A" and resid 34 and name    C)    (segid "   A" and resid 35 and name    N)     1.0    -39.9     13.9   2

assign (segid "   A" and resid 34 and name    C)    (segid "   A" and resid 35 and name    N)
       (segid "   A" and resid 35 and name   CA)    (segid "   A" and resid 35 and name    C)     1.0    -71.6      9.5   2

assign (segid "   A" and resid 35 and name    N)    (segid "   A" and resid 35 and name   CA)
       (segid "   A" and resid 35 and name    C)    (segid "   A" and resid 36 and name    N)     1.0    -40.6      7.9   2

assign (segid "   A" and resid 35 and name    C)    (segid "   A" and resid 36 and name    N)
       (segid "   A" and resid 36 and name   CA)    (segid "   A" and resid 36 and name    C)     1.0    -62.7      5.3   2

assign (segid "   A" and resid 36 and name    N)    (segid "   A" and resid 36 and name   CA)
       (segid "   A" and resid 36 and name    C)    (segid "   A" and resid 37 and name    N)     1.0    -48.4      6.7   2

assign (segid "   A" and resid 36 and name    C)    (segid "   A" and resid 37 and name    N)
       (segid "   A" and resid 37 and name   CA)    (segid "   A" and resid 37 and name    C)     1.0    -63.7      4.9   2

assign (segid "   A" and resid 37 and name    N)    (segid "   A" and resid 37 and name   CA)
       (segid "   A" and resid 37 and name    C)    (segid "   A" and resid 38 and name    N)     1.0    -42.8      5.6   2

assign (segid "   A" and resid 37 and name    C)    (segid "   A" and resid 38 and name    N)
       (segid "   A" and resid 38 and name   CA)    (segid "   A" and resid 38 and name    C)     1.0    -64.7      3.4   2

assign (segid "   A" and resid 38 and name    N)    (segid "   A" and resid 38 and name   CA)
       (segid "   A" and resid 38 and name    C)    (segid "   A" and resid 39 and name    N)     1.0    -38.5      4.6   2

assign (segid "   A" and resid 38 and name    C)    (segid "   A" and resid 39 and name    N)
       (segid "   A" and resid 39 and name   CA)    (segid "   A" and resid 39 and name    C)     1.0    -64.5      4.8   2

assign (segid "   A" and resid 39 and name    N)    (segid "   A" and resid 39 and name   CA)
       (segid "   A" and resid 39 and name    C)    (segid "   A" and resid 40 and name    N)     1.0    -45.2      4.6   2

assign (segid "   A" and resid 39 and name    C)    (segid "   A" and resid 40 and name    N)
       (segid "   A" and resid 40 and name   CA)    (segid "   A" and resid 40 and name    C)     1.0    -62.2      5.0   2

assign (segid "   A" and resid 40 and name    N)    (segid "   A" and resid 40 and name   CA)
       (segid "   A" and resid 40 and name    C)    (segid "   A" and resid 41 and name    N)     1.0    -41.1      6.8   2

assign (segid "   A" and resid 40 and name    C)    (segid "   A" and resid 41 and name    N)
       (segid "   A" and resid 41 and name   CA)    (segid "   A" and resid 41 and name    C)     1.0    -65.5      6.1   2

assign (segid "   A" and resid 41 and name    N)    (segid "   A" and resid 41 and name   CA)
       (segid "   A" and resid 41 and name    C)    (segid "   A" and resid 42 and name    N)     1.0    -44.0      6.8   2

assign (segid "   A" and resid 41 and name    C)    (segid "   A" and resid 42 and name    N)
       (segid "   A" and resid 42 and name   CA)    (segid "   A" and resid 42 and name    C)     1.0    -66.0      5.8   2

assign (segid "   A" and resid 42 and name    N)    (segid "   A" and resid 42 and name   CA)
       (segid "   A" and resid 42 and name    C)    (segid "   A" and resid 43 and name    N)     1.0    -38.7     13.0   2

assign (segid "   A" and resid 42 and name    C)    (segid "   A" and resid 43 and name    N)
       (segid "   A" and resid 43 and name   CA)    (segid "   A" and resid 43 and name    C)     1.0    -75.7     15.4   2

assign (segid "   A" and resid 43 and name    N)    (segid "   A" and resid 43 and name   CA)
       (segid "   A" and resid 43 and name    C)    (segid "   A" and resid 44 and name    N)     1.0    -37.8     16.8   2

assign (segid "   A" and resid 43 and name    C)    (segid "   A" and resid 44 and name    N)
       (segid "   A" and resid 44 and name   CA)    (segid "   A" and resid 44 and name    C)     1.0    -63.2      6.5   2

assign (segid "   A" and resid 44 and name    N)    (segid "   A" and resid 44 and name   CA)
       (segid "   A" and resid 44 and name    C)    (segid "   A" and resid 45 and name    N)     1.0    -35.2     11.6   2

assign (segid "   A" and resid 44 and name    C)    (segid "   A" and resid 45 and name    N)
       (segid "   A" and resid 45 and name   CA)    (segid "   A" and resid 45 and name    C)     1.0    -64.2      7.0   2

assign (segid "   A" and resid 45 and name    N)    (segid "   A" and resid 45 and name   CA)
       (segid "   A" and resid 45 and name    C)    (segid "   A" and resid 46 and name    N)     1.0    -37.6     11.6   2

assign (segid "   B" and resid 3 and name    C)    (segid "   B" and resid 4 and name    N)
       (segid "   B" and resid 4 and name   CA)    (segid "   B" and resid 4 and name    C)     1.0   -100.8     33.2   2

assign (segid "   B" and resid 4 and name    N)    (segid "   B" and resid 4 and name   CA)
       (segid "   B" and resid 4 and name    C)    (segid "   B" and resid 5 and name    N)     1.0    135.3     13.8   2

assign (segid "   B" and resid 4 and name    C)    (segid "   B" and resid 5 and name    N)
       (segid "   B" and resid 5 and name   CA)    (segid "   B" and resid 5 and name    C)     1.0   -126.4     21.5   2

assign (segid "   B" and resid 5 and name    N)    (segid "   B" and resid 5 and name   CA)
       (segid "   B" and resid 5 and name    C)    (segid "   B" and resid 6 and name    N)     1.0    166.2     26.1   2

assign (segid "   B" and resid 5 and name    C)    (segid "   B" and resid 6 and name    N)
       (segid "   B" and resid 6 and name   CA)    (segid "   B" and resid 6 and name    C)     1.0   -126.0     15.4   2

assign (segid "   B" and resid 6 and name    N)    (segid "   B" and resid 6 and name   CA)
       (segid "   B" and resid 6 and name    C)    (segid "   B" and resid 7 and name    N)     1.0    133.0     18.2   2

assign (segid "   B" and resid 6 and name    C)    (segid "   B" and resid 7 and name    N)
       (segid "   B" and resid 7 and name   CA)    (segid "   B" and resid 7 and name    C)     1.0   -127.3     17.3   2

assign (segid "   B" and resid 7 and name    N)    (segid "   B" and resid 7 and name   CA)
       (segid "   B" and resid 7 and name    C)    (segid "   B" and resid 8 and name    N)     1.0    131.7     17.8   2

assign (segid "   B" and resid 7 and name    C)    (segid "   B" and resid 8 and name    N)
       (segid "   B" and resid 8 and name   CA)    (segid "   B" and resid 8 and name    C)     1.0   -104.0     20.4   2

assign (segid "   B" and resid 8 and name    N)    (segid "   B" and resid 8 and name   CA)
       (segid "   B" and resid 8 and name    C)    (segid "   B" and resid 9 and name    N)     1.0    124.0     15.3   2

assign (segid "   B" and resid 8 and name    C)    (segid "   B" and resid 9 and name    N)
       (segid "   B" and resid 9 and name   CA)    (segid "   B" and resid 9 and name    C)     1.0   -119.2     10.8   2

assign (segid "   B" and resid 9 and name    N)    (segid "   B" and resid 9 and name   CA)
       (segid "   B" and resid 9 and name    C)    (segid "   B" and resid 10 and name    N)     1.0    127.9      8.3   2

assign (segid "   B" and resid 9 and name    C)    (segid "   B" and resid 10 and name    N)
       (segid "   B" and resid 10 and name   CA)    (segid "   B" and resid 10 and name    C)     1.0    -93.9     13.6   2

assign (segid "   B" and resid 10 and name    N)    (segid "   B" and resid 10 and name   CA)
       (segid "   B" and resid 10 and name    C)    (segid "   B" and resid 11 and name    N)     1.0    127.9     16.6   2

assign (segid "   B" and resid 11 and name    N)    (segid "   B" and resid 11 and name   CA)
       (segid "   B" and resid 11 and name    C)    (segid "   B" and resid 12 and name    N)     1.0    126.2     20.1   2

assign (segid "   B" and resid 11 and name    C)    (segid "   B" and resid 12 and name    N)
       (segid "   B" and resid 12 and name   CA)    (segid "   B" and resid 12 and name    C)     1.0    -63.1      9.5   2

assign (segid "   B" and resid 12 and name    N)    (segid "   B" and resid 12 and name   CA)
       (segid "   B" and resid 12 and name    C)    (segid "   B" and resid 13 and name    N)     1.0    -42.1      7.8   2

assign (segid "   B" and resid 12 and name    C)    (segid "   B" and resid 13 and name    N)
       (segid "   B" and resid 13 and name   CA)    (segid "   B" and resid 13 and name    C)     1.0    -58.4      4.7   2

assign (segid "   B" and resid 13 and name    N)    (segid "   B" and resid 13 and name   CA)
       (segid "   B" and resid 13 and name    C)    (segid "   B" and resid 14 and name    N)     1.0    -43.4      4.9   2

assign (segid "   B" and resid 13 and name    C)    (segid "   B" and resid 14 and name    N)
       (segid "   B" and resid 14 and name   CA)    (segid "   B" and resid 14 and name    C)     1.0    -66.4      5.6   2

assign (segid "   B" and resid 14 and name    N)    (segid "   B" and resid 14 and name   CA)
       (segid "   B" and resid 14 and name    C)    (segid "   B" and resid 15 and name    N)     1.0    -41.1      6.6   2

assign (segid "   B" and resid 14 and name    C)    (segid "   B" and resid 15 and name    N)
       (segid "   B" and resid 15 and name   CA)    (segid "   B" and resid 15 and name    C)     1.0    -63.5      7.7   2

assign (segid "   B" and resid 15 and name    N)    (segid "   B" and resid 15 and name   CA)
       (segid "   B" and resid 15 and name    C)    (segid "   B" and resid 16 and name    N)     1.0    -45.2      3.4   2

assign (segid "   B" and resid 15 and name    C)    (segid "   B" and resid 16 and name    N)
       (segid "   B" and resid 16 and name   CA)    (segid "   B" and resid 16 and name    C)     1.0    -61.0      4.2   2

assign (segid "   B" and resid 16 and name    N)    (segid "   B" and resid 16 and name   CA)
       (segid "   B" and resid 16 and name    C)    (segid "   B" and resid 17 and name    N)     1.0    -42.8      7.1   2

assign (segid "   B" and resid 16 and name    C)    (segid "   B" and resid 17 and name    N)
       (segid "   B" and resid 17 and name   CA)    (segid "   B" and resid 17 and name    C)     1.0    -63.2      3.5   2

assign (segid "   B" and resid 17 and name    N)    (segid "   B" and resid 17 and name   CA)
       (segid "   B" and resid 17 and name    C)    (segid "   B" and resid 18 and name    N)     1.0    -44.5      6.5   2

assign (segid "   B" and resid 17 and name    C)    (segid "   B" and resid 18 and name    N)
       (segid "   B" and resid 18 and name   CA)    (segid "   B" and resid 18 and name    C)     1.0    -65.8      8.6   2

assign (segid "   B" and resid 18 and name    N)    (segid "   B" and resid 18 and name   CA)
       (segid "   B" and resid 18 and name    C)    (segid "   B" and resid 19 and name    N)     1.0    -36.8      5.9   2

assign (segid "   B" and resid 18 and name    C)    (segid "   B" and resid 19 and name    N)
       (segid "   B" and resid 19 and name   CA)    (segid "   B" and resid 19 and name    C)     1.0    -66.0      7.9   2

assign (segid "   B" and resid 19 and name    N)    (segid "   B" and resid 19 and name   CA)
       (segid "   B" and resid 19 and name    C)    (segid "   B" and resid 20 and name    N)     1.0    -35.9     12.9   2

assign (segid "   B" and resid 19 and name    C)    (segid "   B" and resid 20 and name    N)
       (segid "   B" and resid 20 and name   CA)    (segid "   B" and resid 20 and name    C)     1.0    -63.9      7.0   2

assign (segid "   B" and resid 20 and name    N)    (segid "   B" and resid 20 and name   CA)
       (segid "   B" and resid 20 and name    C)    (segid "   B" and resid 21 and name    N)     1.0    -34.6     14.2   2

assign (segid "   B" and resid 20 and name    C)    (segid "   B" and resid 21 and name    N)
       (segid "   B" and resid 21 and name   CA)    (segid "   B" and resid 21 and name    C)     1.0    -66.6      4.9   2

assign (segid "   B" and resid 21 and name    N)    (segid "   B" and resid 21 and name   CA)
       (segid "   B" and resid 21 and name    C)    (segid "   B" and resid 22 and name    N)     1.0    -38.2      4.8   2

assign (segid "   B" and resid 21 and name    C)    (segid "   B" and resid 22 and name    N)
       (segid "   B" and resid 22 and name   CA)    (segid "   B" and resid 22 and name    C)     1.0    -57.8      8.2   2

assign (segid "   B" and resid 22 and name    N)    (segid "   B" and resid 22 and name   CA)
       (segid "   B" and resid 22 and name    C)    (segid "   B" and resid 23 and name    N)     1.0    -48.2      9.1   2

assign (segid "   B" and resid 22 and name    C)    (segid "   B" and resid 23 and name    N)
       (segid "   B" and resid 23 and name   CA)    (segid "   B" and resid 23 and name    C)     1.0    -62.5      4.2   2

assign (segid "   B" and resid 23 and name    N)    (segid "   B" and resid 23 and name   CA)
       (segid "   B" and resid 23 and name    C)    (segid "   B" and resid 24 and name    N)     1.0    -38.6      5.4   2

assign (segid "   B" and resid 23 and name    C)    (segid "   B" and resid 24 and name    N)
       (segid "   B" and resid 24 and name   CA)    (segid "   B" and resid 24 and name    C)     1.0    -64.0      3.9   2

assign (segid "   B" and resid 24 and name    N)    (segid "   B" and resid 24 and name   CA)
       (segid "   B" and resid 24 and name    C)    (segid "   B" and resid 25 and name    N)     1.0    -43.6      7.9   2

assign (segid "   B" and resid 24 and name    C)    (segid "   B" and resid 25 and name    N)
       (segid "   B" and resid 25 and name   CA)    (segid "   B" and resid 25 and name    C)     1.0    -66.0      4.8   2

assign (segid "   B" and resid 25 and name    N)    (segid "   B" and resid 25 and name   CA)
       (segid "   B" and resid 25 and name    C)    (segid "   B" and resid 26 and name    N)     1.0    -40.9      4.4   2

assign (segid "   B" and resid 25 and name    C)    (segid "   B" and resid 26 and name    N)
       (segid "   B" and resid 26 and name   CA)    (segid "   B" and resid 26 and name    C)     1.0    -64.1      5.6   2

assign (segid "   B" and resid 26 and name    N)    (segid "   B" and resid 26 and name   CA)
       (segid "   B" and resid 26 and name    C)    (segid "   B" and resid 27 and name    N)     1.0    -36.7     11.1   2

assign (segid "   B" and resid 26 and name    C)    (segid "   B" and resid 27 and name    N)
       (segid "   B" and resid 27 and name   CA)    (segid "   B" and resid 27 and name    C)     1.0    -76.5     14.5   2

assign (segid "   B" and resid 27 and name    N)    (segid "   B" and resid 27 and name   CA)
       (segid "   B" and resid 27 and name    C)    (segid "   B" and resid 28 and name    N)     1.0    -26.6     19.9   2

assign (segid "   B" and resid 27 and name    C)    (segid "   B" and resid 28 and name    N)
       (segid "   B" and resid 28 and name   CA)    (segid "   B" and resid 28 and name    C)     1.0    -62.5      7.8   2

assign (segid "   B" and resid 28 and name    N)    (segid "   B" and resid 28 and name   CA)
       (segid "   B" and resid 28 and name    C)    (segid "   B" and resid 29 and name    N)     1.0    -32.5     17.1   2

assign (segid "   B" and resid 28 and name    C)    (segid "   B" and resid 29 and name    N)
       (segid "   B" and resid 29 and name   CA)    (segid "   B" and resid 29 and name    C)     1.0    -74.8     13.2   2

assign (segid "   B" and resid 29 and name    N)    (segid "   B" and resid 29 and name   CA)
       (segid "   B" and resid 29 and name    C)    (segid "   B" and resid 30 and name    N)     1.0    -30.5     12.2   2

assign (segid "   B" and resid 30 and name    C)    (segid "   B" and resid 31 and name    N)
       (segid "   B" and resid 31 and name   CA)    (segid "   B" and resid 31 and name    C)     1.0    -77.0     20.4   2

assign (segid "   B" and resid 31 and name    N)    (segid "   B" and resid 31 and name   CA)
       (segid "   B" and resid 31 and name    C)    (segid "   B" and resid 32 and name    N)     1.0    135.6     10.9   2

assign (segid "   B" and resid 32 and name    C)    (segid "   B" and resid 33 and name    N)
       (segid "   B" and resid 33 and name   CA)    (segid "   B" and resid 33 and name    C)     1.0    -53.6     15.1   2

assign (segid "   B" and resid 33 and name    N)    (segid "   B" and resid 33 and name   CA)
       (segid "   B" and resid 33 and name    C)    (segid "   B" and resid 34 and name    N)     1.0    -43.5      9.9   2

assign (segid "   B" and resid 33 and name    C)    (segid "   B" and resid 34 and name    N)
       (segid "   B" and resid 34 and name   CA)    (segid "   B" and resid 34 and name    C)     1.0    -61.8     14.1   2

assign (segid "   B" and resid 34 and name    N)    (segid "   B" and resid 34 and name   CA)
       (segid "   B" and resid 34 and name    C)    (segid "   B" and resid 35 and name    N)     1.0    -39.9     13.9   2

assign (segid "   B" and resid 34 and name    C)    (segid "   B" and resid 35 and name    N)
       (segid "   B" and resid 35 and name   CA)    (segid "   B" and resid 35 and name    C)     1.0    -71.6      9.5   2

assign (segid "   B" and resid 35 and name    N)    (segid "   B" and resid 35 and name   CA)
       (segid "   B" and resid 35 and name    C)    (segid "   B" and resid 36 and name    N)     1.0    -40.6      7.9   2

assign (segid "   B" and resid 35 and name    C)    (segid "   B" and resid 36 and name    N)
       (segid "   B" and resid 36 and name   CA)    (segid "   B" and resid 36 and name    C)     1.0    -62.7      5.3   2

assign (segid "   B" and resid 36 and name    N)    (segid "   B" and resid 36 and name   CA)
       (segid "   B" and resid 36 and name    C)    (segid "   B" and resid 37 and name    N)     1.0    -48.4      6.7   2

assign (segid "   B" and resid 36 and name    C)    (segid "   B" and resid 37 and name    N)
       (segid "   B" and resid 37 and name   CA)    (segid "   B" and resid 37 and name    C)     1.0    -63.7      4.9   2

assign (segid "   B" and resid 37 and name    N)    (segid "   B" and resid 37 and name   CA)
       (segid "   B" and resid 37 and name    C)    (segid "   B" and resid 38 and name    N)     1.0    -42.8      5.6   2

assign (segid "   B" and resid 37 and name    C)    (segid "   B" and resid 38 and name    N)
       (segid "   B" and resid 38 and name   CA)    (segid "   B" and resid 38 and name    C)     1.0    -64.7      3.4   2

assign (segid "   B" and resid 38 and name    N)    (segid "   B" and resid 38 and name   CA)
       (segid "   B" and resid 38 and name    C)    (segid "   B" and resid 39 and name    N)     1.0    -38.5      4.6   2

assign (segid "   B" and resid 38 and name    C)    (segid "   B" and resid 39 and name    N)
       (segid "   B" and resid 39 and name   CA)    (segid "   B" and resid 39 and name    C)     1.0    -64.5      4.8   2

assign (segid "   B" and resid 39 and name    N)    (segid "   B" and resid 39 and name   CA)
       (segid "   B" and resid 39 and name    C)    (segid "   B" and resid 40 and name    N)     1.0    -45.2      4.6   2

assign (segid "   B" and resid 39 and name    C)    (segid "   B" and resid 40 and name    N)
       (segid "   B" and resid 40 and name   CA)    (segid "   B" and resid 40 and name    C)     1.0    -62.2      5.0   2

assign (segid "   B" and resid 40 and name    N)    (segid "   B" and resid 40 and name   CA)
       (segid "   B" and resid 40 and name    C)    (segid "   B" and resid 41 and name    N)     1.0    -41.1      6.8   2

assign (segid "   B" and resid 40 and name    C)    (segid "   B" and resid 41 and name    N)
       (segid "   B" and resid 41 and name   CA)    (segid "   B" and resid 41 and name    C)     1.0    -65.5      6.1   2

assign (segid "   B" and resid 41 and name    N)    (segid "   B" and resid 41 and name   CA)
       (segid "   B" and resid 41 and name    C)    (segid "   B" and resid 42 and name    N)     1.0    -44.0      6.8   2

assign (segid "   B" and resid 41 and name    C)    (segid "   B" and resid 42 and name    N)
       (segid "   B" and resid 42 and name   CA)    (segid "   B" and resid 42 and name    C)     1.0    -66.0      5.8   2

assign (segid "   B" and resid 42 and name    N)    (segid "   B" and resid 42 and name   CA)
       (segid "   B" and resid 42 and name    C)    (segid "   B" and resid 43 and name    N)     1.0    -38.7     13.0   2

assign (segid "   B" and resid 42 and name    C)    (segid "   B" and resid 43 and name    N)
       (segid "   B" and resid 43 and name   CA)    (segid "   B" and resid 43 and name    C)     1.0    -75.7     15.4   2

assign (segid "   B" and resid 43 and name    N)    (segid "   B" and resid 43 and name   CA)
       (segid "   B" and resid 43 and name    C)    (segid "   B" and resid 44 and name    N)     1.0    -37.8     16.8   2

assign (segid "   B" and resid 43 and name    C)    (segid "   B" and resid 44 and name    N)
       (segid "   B" and resid 44 and name   CA)    (segid "   B" and resid 44 and name    C)     1.0    -63.2      6.5   2

assign (segid "   B" and resid 44 and name    N)    (segid "   B" and resid 44 and name   CA)
       (segid "   B" and resid 44 and name    C)    (segid "   B" and resid 45 and name    N)     1.0    -35.2     11.6   2

assign (segid "   B" and resid 44 and name    C)    (segid "   B" and resid 45 and name    N)
       (segid "   B" and resid 45 and name   CA)    (segid "   B" and resid 45 and name    C)     1.0    -64.2      7.0   2

assign (segid "   B" and resid 45 and name    N)    (segid "   B" and resid 45 and name   CA)
       (segid "   B" and resid 45 and name    C)    (segid "   B" and resid 46 and name    N)     1.0    -37.6     11.6   2

assign (segid "   C" and resid 3 and name    C)    (segid "   C" and resid 4 and name    N)
       (segid "   C" and resid 4 and name   CA)    (segid "   C" and resid 4 and name    C)     1.0   -100.8     33.2   2

assign (segid "   C" and resid 4 and name    N)    (segid "   C" and resid 4 and name   CA)
       (segid "   C" and resid 4 and name    C)    (segid "   C" and resid 5 and name    N)     1.0    135.3     13.8   2

assign (segid "   C" and resid 4 and name    C)    (segid "   C" and resid 5 and name    N)
       (segid "   C" and resid 5 and name   CA)    (segid "   C" and resid 5 and name    C)     1.0   -126.4     21.5   2

assign (segid "   C" and resid 5 and name    N)    (segid "   C" and resid 5 and name   CA)
       (segid "   C" and resid 5 and name    C)    (segid "   C" and resid 6 and name    N)     1.0    166.2     26.1   2

assign (segid "   C" and resid 5 and name    C)    (segid "   C" and resid 6 and name    N)
       (segid "   C" and resid 6 and name   CA)    (segid "   C" and resid 6 and name    C)     1.0   -126.0     15.4   2

assign (segid "   C" and resid 6 and name    N)    (segid "   C" and resid 6 and name   CA)
       (segid "   C" and resid 6 and name    C)    (segid "   C" and resid 7 and name    N)     1.0    133.0     18.2   2

assign (segid "   C" and resid 6 and name    C)    (segid "   C" and resid 7 and name    N)
       (segid "   C" and resid 7 and name   CA)    (segid "   C" and resid 7 and name    C)     1.0   -127.3     17.3   2

assign (segid "   C" and resid 7 and name    N)    (segid "   C" and resid 7 and name   CA)
       (segid "   C" and resid 7 and name    C)    (segid "   C" and resid 8 and name    N)     1.0    131.7     17.8   2

assign (segid "   C" and resid 7 and name    C)    (segid "   C" and resid 8 and name    N)
       (segid "   C" and resid 8 and name   CA)    (segid "   C" and resid 8 and name    C)     1.0   -104.0     20.4   2

assign (segid "   C" and resid 8 and name    N)    (segid "   C" and resid 8 and name   CA)
       (segid "   C" and resid 8 and name    C)    (segid "   C" and resid 9 and name    N)     1.0    124.0     15.3   2

assign (segid "   C" and resid 8 and name    C)    (segid "   C" and resid 9 and name    N)
       (segid "   C" and resid 9 and name   CA)    (segid "   C" and resid 9 and name    C)     1.0   -119.2     10.8   2

assign (segid "   C" and resid 9 and name    N)    (segid "   C" and resid 9 and name   CA)
       (segid "   C" and resid 9 and name    C)    (segid "   C" and resid 10 and name    N)     1.0    127.9      8.3   2

assign (segid "   C" and resid 9 and name    C)    (segid "   C" and resid 10 and name    N)
       (segid "   C" and resid 10 and name   CA)    (segid "   C" and resid 10 and name    C)     1.0    -93.9     13.6   2

assign (segid "   C" and resid 10 and name    N)    (segid "   C" and resid 10 and name   CA)
       (segid "   C" and resid 10 and name    C)    (segid "   C" and resid 11 and name    N)     1.0    127.9     16.6   2

assign (segid "   C" and resid 11 and name    N)    (segid "   C" and resid 11 and name   CA)
       (segid "   C" and resid 11 and name    C)    (segid "   C" and resid 12 and name    N)     1.0    126.2     20.1   2

assign (segid "   C" and resid 11 and name    C)    (segid "   C" and resid 12 and name    N)
       (segid "   C" and resid 12 and name   CA)    (segid "   C" and resid 12 and name    C)     1.0    -63.1      9.5   2

assign (segid "   C" and resid 12 and name    N)    (segid "   C" and resid 12 and name   CA)
       (segid "   C" and resid 12 and name    C)    (segid "   C" and resid 13 and name    N)     1.0    -42.1      7.8   2

assign (segid "   C" and resid 12 and name    C)    (segid "   C" and resid 13 and name    N)
       (segid "   C" and resid 13 and name   CA)    (segid "   C" and resid 13 and name    C)     1.0    -58.4      4.7   2

assign (segid "   C" and resid 13 and name    N)    (segid "   C" and resid 13 and name   CA)
       (segid "   C" and resid 13 and name    C)    (segid "   C" and resid 14 and name    N)     1.0    -43.4      4.9   2

assign (segid "   C" and resid 13 and name    C)    (segid "   C" and resid 14 and name    N)
       (segid "   C" and resid 14 and name   CA)    (segid "   C" and resid 14 and name    C)     1.0    -66.4      5.6   2

assign (segid "   C" and resid 14 and name    N)    (segid "   C" and resid 14 and name   CA)
       (segid "   C" and resid 14 and name    C)    (segid "   C" and resid 15 and name    N)     1.0    -41.1      6.6   2

assign (segid "   C" and resid 14 and name    C)    (segid "   C" and resid 15 and name    N)
       (segid "   C" and resid 15 and name   CA)    (segid "   C" and resid 15 and name    C)     1.0    -63.5      7.7   2

assign (segid "   C" and resid 15 and name    N)    (segid "   C" and resid 15 and name   CA)
       (segid "   C" and resid 15 and name    C)    (segid "   C" and resid 16 and name    N)     1.0    -45.2      3.4   2

assign (segid "   C" and resid 15 and name    C)    (segid "   C" and resid 16 and name    N)
       (segid "   C" and resid 16 and name   CA)    (segid "   C" and resid 16 and name    C)     1.0    -61.0      4.2   2

assign (segid "   C" and resid 16 and name    N)    (segid "   C" and resid 16 and name   CA)
       (segid "   C" and resid 16 and name    C)    (segid "   C" and resid 17 and name    N)     1.0    -42.8      7.1   2

assign (segid "   C" and resid 16 and name    C)    (segid "   C" and resid 17 and name    N)
       (segid "   C" and resid 17 and name   CA)    (segid "   C" and resid 17 and name    C)     1.0    -63.2      3.5   2

assign (segid "   C" and resid 17 and name    N)    (segid "   C" and resid 17 and name   CA)
       (segid "   C" and resid 17 and name    C)    (segid "   C" and resid 18 and name    N)     1.0    -44.5      6.5   2

assign (segid "   C" and resid 17 and name    C)    (segid "   C" and resid 18 and name    N)
       (segid "   C" and resid 18 and name   CA)    (segid "   C" and resid 18 and name    C)     1.0    -65.8      8.6   2

assign (segid "   C" and resid 18 and name    N)    (segid "   C" and resid 18 and name   CA)
       (segid "   C" and resid 18 and name    C)    (segid "   C" and resid 19 and name    N)     1.0    -36.8      5.9   2

assign (segid "   C" and resid 18 and name    C)    (segid "   C" and resid 19 and name    N)
       (segid "   C" and resid 19 and name   CA)    (segid "   C" and resid 19 and name    C)     1.0    -66.0      7.9   2

assign (segid "   C" and resid 19 and name    N)    (segid "   C" and resid 19 and name   CA)
       (segid "   C" and resid 19 and name    C)    (segid "   C" and resid 20 and name    N)     1.0    -35.9     12.9   2

assign (segid "   C" and resid 19 and name    C)    (segid "   C" and resid 20 and name    N)
       (segid "   C" and resid 20 and name   CA)    (segid "   C" and resid 20 and name    C)     1.0    -63.9      7.0   2

assign (segid "   C" and resid 20 and name    N)    (segid "   C" and resid 20 and name   CA)
       (segid "   C" and resid 20 and name    C)    (segid "   C" and resid 21 and name    N)     1.0    -34.6     14.2   2

assign (segid "   C" and resid 20 and name    C)    (segid "   C" and resid 21 and name    N)
       (segid "   C" and resid 21 and name   CA)    (segid "   C" and resid 21 and name    C)     1.0    -66.6      4.9   2

assign (segid "   C" and resid 21 and name    N)    (segid "   C" and resid 21 and name   CA)
       (segid "   C" and resid 21 and name    C)    (segid "   C" and resid 22 and name    N)     1.0    -38.2      4.8   2

assign (segid "   C" and resid 21 and name    C)    (segid "   C" and resid 22 and name    N)
       (segid "   C" and resid 22 and name   CA)    (segid "   C" and resid 22 and name    C)     1.0    -57.8      8.2   2

assign (segid "   C" and resid 22 and name    N)    (segid "   C" and resid 22 and name   CA)
       (segid "   C" and resid 22 and name    C)    (segid "   C" and resid 23 and name    N)     1.0    -48.2      9.1   2

assign (segid "   C" and resid 22 and name    C)    (segid "   C" and resid 23 and name    N)
       (segid "   C" and resid 23 and name   CA)    (segid "   C" and resid 23 and name    C)     1.0    -62.5      4.2   2

assign (segid "   C" and resid 23 and name    N)    (segid "   C" and resid 23 and name   CA)
       (segid "   C" and resid 23 and name    C)    (segid "   C" and resid 24 and name    N)     1.0    -38.6      5.4   2

assign (segid "   C" and resid 23 and name    C)    (segid "   C" and resid 24 and name    N)
       (segid "   C" and resid 24 and name   CA)    (segid "   C" and resid 24 and name    C)     1.0    -64.0      3.9   2

assign (segid "   C" and resid 24 and name    N)    (segid "   C" and resid 24 and name   CA)
       (segid "   C" and resid 24 and name    C)    (segid "   C" and resid 25 and name    N)     1.0    -43.6      7.9   2

assign (segid "   C" and resid 24 and name    C)    (segid "   C" and resid 25 and name    N)
       (segid "   C" and resid 25 and name   CA)    (segid "   C" and resid 25 and name    C)     1.0    -66.0      4.8   2

assign (segid "   C" and resid 25 and name    N)    (segid "   C" and resid 25 and name   CA)
       (segid "   C" and resid 25 and name    C)    (segid "   C" and resid 26 and name    N)     1.0    -40.9      4.4   2

assign (segid "   C" and resid 25 and name    C)    (segid "   C" and resid 26 and name    N)
       (segid "   C" and resid 26 and name   CA)    (segid "   C" and resid 26 and name    C)     1.0    -64.1      5.6   2

assign (segid "   C" and resid 26 and name    N)    (segid "   C" and resid 26 and name   CA)
       (segid "   C" and resid 26 and name    C)    (segid "   C" and resid 27 and name    N)     1.0    -36.7     11.1   2

assign (segid "   C" and resid 26 and name    C)    (segid "   C" and resid 27 and name    N)
       (segid "   C" and resid 27 and name   CA)    (segid "   C" and resid 27 and name    C)     1.0    -76.5     14.5   2

assign (segid "   C" and resid 27 and name    N)    (segid "   C" and resid 27 and name   CA)
       (segid "   C" and resid 27 and name    C)    (segid "   C" and resid 28 and name    N)     1.0    -26.6     19.9   2

assign (segid "   C" and resid 27 and name    C)    (segid "   C" and resid 28 and name    N)
       (segid "   C" and resid 28 and name   CA)    (segid "   C" and resid 28 and name    C)     1.0    -62.5      7.8   2

assign (segid "   C" and resid 28 and name    N)    (segid "   C" and resid 28 and name   CA)
       (segid "   C" and resid 28 and name    C)    (segid "   C" and resid 29 and name    N)     1.0    -32.5     17.1   2

assign (segid "   C" and resid 28 and name    C)    (segid "   C" and resid 29 and name    N)
       (segid "   C" and resid 29 and name   CA)    (segid "   C" and resid 29 and name    C)     1.0    -74.8     13.2   2

assign (segid "   C" and resid 29 and name    N)    (segid "   C" and resid 29 and name   CA)
       (segid "   C" and resid 29 and name    C)    (segid "   C" and resid 30 and name    N)     1.0    -30.5     12.2   2

assign (segid "   C" and resid 30 and name    C)    (segid "   C" and resid 31 and name    N)
       (segid "   C" and resid 31 and name   CA)    (segid "   C" and resid 31 and name    C)     1.0    -77.0     20.4   2

assign (segid "   C" and resid 31 and name    N)    (segid "   C" and resid 31 and name   CA)
       (segid "   C" and resid 31 and name    C)    (segid "   C" and resid 32 and name    N)     1.0    135.6     10.9   2

assign (segid "   C" and resid 32 and name    C)    (segid "   C" and resid 33 and name    N)
       (segid "   C" and resid 33 and name   CA)    (segid "   C" and resid 33 and name    C)     1.0    -53.6     15.1   2

assign (segid "   C" and resid 33 and name    N)    (segid "   C" and resid 33 and name   CA)
       (segid "   C" and resid 33 and name    C)    (segid "   C" and resid 34 and name    N)     1.0    -43.5      9.9   2

assign (segid "   C" and resid 33 and name    C)    (segid "   C" and resid 34 and name    N)
       (segid "   C" and resid 34 and name   CA)    (segid "   C" and resid 34 and name    C)     1.0    -61.8     14.1   2

assign (segid "   C" and resid 34 and name    N)    (segid "   C" and resid 34 and name   CA)
       (segid "   C" and resid 34 and name    C)    (segid "   C" and resid 35 and name    N)     1.0    -39.9     13.9   2

assign (segid "   C" and resid 34 and name    C)    (segid "   C" and resid 35 and name    N)
       (segid "   C" and resid 35 and name   CA)    (segid "   C" and resid 35 and name    C)     1.0    -71.6      9.5   2

assign (segid "   C" and resid 35 and name    N)    (segid "   C" and resid 35 and name   CA)
       (segid "   C" and resid 35 and name    C)    (segid "   C" and resid 36 and name    N)     1.0    -40.6      7.9   2

assign (segid "   C" and resid 35 and name    C)    (segid "   C" and resid 36 and name    N)
       (segid "   C" and resid 36 and name   CA)    (segid "   C" and resid 36 and name    C)     1.0    -62.7      5.3   2

assign (segid "   C" and resid 36 and name    N)    (segid "   C" and resid 36 and name   CA)
       (segid "   C" and resid 36 and name    C)    (segid "   C" and resid 37 and name    N)     1.0    -48.4      6.7   2

assign (segid "   C" and resid 36 and name    C)    (segid "   C" and resid 37 and name    N)
       (segid "   C" and resid 37 and name   CA)    (segid "   C" and resid 37 and name    C)     1.0    -63.7      4.9   2

assign (segid "   C" and resid 37 and name    N)    (segid "   C" and resid 37 and name   CA)
       (segid "   C" and resid 37 and name    C)    (segid "   C" and resid 38 and name    N)     1.0    -42.8      5.6   2

assign (segid "   C" and resid 37 and name    C)    (segid "   C" and resid 38 and name    N)
       (segid "   C" and resid 38 and name   CA)    (segid "   C" and resid 38 and name    C)     1.0    -64.7      3.4   2

assign (segid "   C" and resid 38 and name    N)    (segid "   C" and resid 38 and name   CA)
       (segid "   C" and resid 38 and name    C)    (segid "   C" and resid 39 and name    N)     1.0    -38.5      4.6   2

assign (segid "   C" and resid 38 and name    C)    (segid "   C" and resid 39 and name    N)
       (segid "   C" and resid 39 and name   CA)    (segid "   C" and resid 39 and name    C)     1.0    -64.5      4.8   2

assign (segid "   C" and resid 39 and name    N)    (segid "   C" and resid 39 and name   CA)
       (segid "   C" and resid 39 and name    C)    (segid "   C" and resid 40 and name    N)     1.0    -45.2      4.6   2

assign (segid "   C" and resid 39 and name    C)    (segid "   C" and resid 40 and name    N)
       (segid "   C" and resid 40 and name   CA)    (segid "   C" and resid 40 and name    C)     1.0    -62.2      5.0   2

assign (segid "   C" and resid 40 and name    N)    (segid "   C" and resid 40 and name   CA)
       (segid "   C" and resid 40 and name    C)    (segid "   C" and resid 41 and name    N)     1.0    -41.1      6.8   2

assign (segid "   C" and resid 40 and name    C)    (segid "   C" and resid 41 and name    N)
       (segid "   C" and resid 41 and name   CA)    (segid "   C" and resid 41 and name    C)     1.0    -65.5      6.1   2

assign (segid "   C" and resid 41 and name    N)    (segid "   C" and resid 41 and name   CA)
       (segid "   C" and resid 41 and name    C)    (segid "   C" and resid 42 and name    N)     1.0    -44.0      6.8   2

assign (segid "   C" and resid 41 and name    C)    (segid "   C" and resid 42 and name    N)
       (segid "   C" and resid 42 and name   CA)    (segid "   C" and resid 42 and name    C)     1.0    -66.0      5.8   2

assign (segid "   C" and resid 42 and name    N)    (segid "   C" and resid 42 and name   CA)
       (segid "   C" and resid 42 and name    C)    (segid "   C" and resid 43 and name    N)     1.0    -38.7     13.0   2

assign (segid "   C" and resid 42 and name    C)    (segid "   C" and resid 43 and name    N)
       (segid "   C" and resid 43 and name   CA)    (segid "   C" and resid 43 and name    C)     1.0    -75.7     15.4   2

assign (segid "   C" and resid 43 and name    N)    (segid "   C" and resid 43 and name   CA)
       (segid "   C" and resid 43 and name    C)    (segid "   C" and resid 44 and name    N)     1.0    -37.8     16.8   2

assign (segid "   C" and resid 43 and name    C)    (segid "   C" and resid 44 and name    N)
       (segid "   C" and resid 44 and name   CA)    (segid "   C" and resid 44 and name    C)     1.0    -63.2      6.5   2

assign (segid "   C" and resid 44 and name    N)    (segid "   C" and resid 44 and name   CA)
       (segid "   C" and resid 44 and name    C)    (segid "   C" and resid 45 and name    N)     1.0    -35.2     11.6   2

assign (segid "   C" and resid 44 and name    C)    (segid "   C" and resid 45 and name    N)
       (segid "   C" and resid 45 and name   CA)    (segid "   C" and resid 45 and name    C)     1.0    -64.2      7.0   2

assign (segid "   C" and resid 45 and name    N)    (segid "   C" and resid 45 and name   CA)
       (segid "   C" and resid 45 and name    C)    (segid "   C" and resid 46 and name    N)     1.0    -37.6     11.6   2

assign (segid "   D" and resid 3 and name    C)    (segid "   D" and resid 4 and name    N)
       (segid "   D" and resid 4 and name   CA)    (segid "   D" and resid 4 and name    C)     1.0   -100.8     33.2   2

assign (segid "   D" and resid 4 and name    N)    (segid "   D" and resid 4 and name   CA)
       (segid "   D" and resid 4 and name    C)    (segid "   D" and resid 5 and name    N)     1.0    135.3     13.8   2

assign (segid "   D" and resid 4 and name    C)    (segid "   D" and resid 5 and name    N)
       (segid "   D" and resid 5 and name   CA)    (segid "   D" and resid 5 and name    C)     1.0   -126.4     21.5   2

assign (segid "   D" and resid 5 and name    N)    (segid "   D" and resid 5 and name   CA)
       (segid "   D" and resid 5 and name    C)    (segid "   D" and resid 6 and name    N)     1.0    166.2     26.1   2

assign (segid "   D" and resid 5 and name    C)    (segid "   D" and resid 6 and name    N)
       (segid "   D" and resid 6 and name   CA)    (segid "   D" and resid 6 and name    C)     1.0   -126.0     15.4   2

assign (segid "   D" and resid 6 and name    N)    (segid "   D" and resid 6 and name   CA)
       (segid "   D" and resid 6 and name    C)    (segid "   D" and resid 7 and name    N)     1.0    133.0     18.2   2

assign (segid "   D" and resid 6 and name    C)    (segid "   D" and resid 7 and name    N)
       (segid "   D" and resid 7 and name   CA)    (segid "   D" and resid 7 and name    C)     1.0   -127.3     17.3   2

assign (segid "   D" and resid 7 and name    N)    (segid "   D" and resid 7 and name   CA)
       (segid "   D" and resid 7 and name    C)    (segid "   D" and resid 8 and name    N)     1.0    131.7     17.8   2

assign (segid "   D" and resid 7 and name    C)    (segid "   D" and resid 8 and name    N)
       (segid "   D" and resid 8 and name   CA)    (segid "   D" and resid 8 and name    C)     1.0   -104.0     20.4   2

assign (segid "   D" and resid 8 and name    N)    (segid "   D" and resid 8 and name   CA)
       (segid "   D" and resid 8 and name    C)    (segid "   D" and resid 9 and name    N)     1.0    124.0     15.3   2

assign (segid "   D" and resid 8 and name    C)    (segid "   D" and resid 9 and name    N)
       (segid "   D" and resid 9 and name   CA)    (segid "   D" and resid 9 and name    C)     1.0   -119.2     10.8   2

assign (segid "   D" and resid 9 and name    N)    (segid "   D" and resid 9 and name   CA)
       (segid "   D" and resid 9 and name    C)    (segid "   D" and resid 10 and name    N)     1.0    127.9      8.3   2

assign (segid "   D" and resid 9 and name    C)    (segid "   D" and resid 10 and name    N)
       (segid "   D" and resid 10 and name   CA)    (segid "   D" and resid 10 and name    C)     1.0    -93.9     13.6   2

assign (segid "   D" and resid 10 and name    N)    (segid "   D" and resid 10 and name   CA)
       (segid "   D" and resid 10 and name    C)    (segid "   D" and resid 11 and name    N)     1.0    127.9     16.6   2

assign (segid "   D" and resid 11 and name    N)    (segid "   D" and resid 11 and name   CA)
       (segid "   D" and resid 11 and name    C)    (segid "   D" and resid 12 and name    N)     1.0    126.2     20.1   2

assign (segid "   D" and resid 11 and name    C)    (segid "   D" and resid 12 and name    N)
       (segid "   D" and resid 12 and name   CA)    (segid "   D" and resid 12 and name    C)     1.0    -63.1      9.5   2

assign (segid "   D" and resid 12 and name    N)    (segid "   D" and resid 12 and name   CA)
       (segid "   D" and resid 12 and name    C)    (segid "   D" and resid 13 and name    N)     1.0    -42.1      7.8   2

assign (segid "   D" and resid 12 and name    C)    (segid "   D" and resid 13 and name    N)
       (segid "   D" and resid 13 and name   CA)    (segid "   D" and resid 13 and name    C)     1.0    -58.4      4.7   2

assign (segid "   D" and resid 13 and name    N)    (segid "   D" and resid 13 and name   CA)
       (segid "   D" and resid 13 and name    C)    (segid "   D" and resid 14 and name    N)     1.0    -43.4      4.9   2

assign (segid "   D" and resid 13 and name    C)    (segid "   D" and resid 14 and name    N)
       (segid "   D" and resid 14 and name   CA)    (segid "   D" and resid 14 and name    C)     1.0    -66.4      5.6   2

assign (segid "   D" and resid 14 and name    N)    (segid "   D" and resid 14 and name   CA)
       (segid "   D" and resid 14 and name    C)    (segid "   D" and resid 15 and name    N)     1.0    -41.1      6.6   2

assign (segid "   D" and resid 14 and name    C)    (segid "   D" and resid 15 and name    N)
       (segid "   D" and resid 15 and name   CA)    (segid "   D" and resid 15 and name    C)     1.0    -63.5      7.7   2

assign (segid "   D" and resid 15 and name    N)    (segid "   D" and resid 15 and name   CA)
       (segid "   D" and resid 15 and name    C)    (segid "   D" and resid 16 and name    N)     1.0    -45.2      3.4   2

assign (segid "   D" and resid 15 and name    C)    (segid "   D" and resid 16 and name    N)
       (segid "   D" and resid 16 and name   CA)    (segid "   D" and resid 16 and name    C)     1.0    -61.0      4.2   2

assign (segid "   D" and resid 16 and name    N)    (segid "   D" and resid 16 and name   CA)
       (segid "   D" and resid 16 and name    C)    (segid "   D" and resid 17 and name    N)     1.0    -42.8      7.1   2

assign (segid "   D" and resid 16 and name    C)    (segid "   D" and resid 17 and name    N)
       (segid "   D" and resid 17 and name   CA)    (segid "   D" and resid 17 and name    C)     1.0    -63.2      3.5   2

assign (segid "   D" and resid 17 and name    N)    (segid "   D" and resid 17 and name   CA)
       (segid "   D" and resid 17 and name    C)    (segid "   D" and resid 18 and name    N)     1.0    -44.5      6.5   2

assign (segid "   D" and resid 17 and name    C)    (segid "   D" and resid 18 and name    N)
       (segid "   D" and resid 18 and name   CA)    (segid "   D" and resid 18 and name    C)     1.0    -65.8      8.6   2

assign (segid "   D" and resid 18 and name    N)    (segid "   D" and resid 18 and name   CA)
       (segid "   D" and resid 18 and name    C)    (segid "   D" and resid 19 and name    N)     1.0    -36.8      5.9   2

assign (segid "   D" and resid 18 and name    C)    (segid "   D" and resid 19 and name    N)
       (segid "   D" and resid 19 and name   CA)    (segid "   D" and resid 19 and name    C)     1.0    -66.0      7.9   2

assign (segid "   D" and resid 19 and name    N)    (segid "   D" and resid 19 and name   CA)
       (segid "   D" and resid 19 and name    C)    (segid "   D" and resid 20 and name    N)     1.0    -35.9     12.9   2

assign (segid "   D" and resid 19 and name    C)    (segid "   D" and resid 20 and name    N)
       (segid "   D" and resid 20 and name   CA)    (segid "   D" and resid 20 and name    C)     1.0    -63.9      7.0   2

assign (segid "   D" and resid 20 and name    N)    (segid "   D" and resid 20 and name   CA)
       (segid "   D" and resid 20 and name    C)    (segid "   D" and resid 21 and name    N)     1.0    -34.6     14.2   2

assign (segid "   D" and resid 20 and name    C)    (segid "   D" and resid 21 and name    N)
       (segid "   D" and resid 21 and name   CA)    (segid "   D" and resid 21 and name    C)     1.0    -66.6      4.9   2

assign (segid "   D" and resid 21 and name    N)    (segid "   D" and resid 21 and name   CA)
       (segid "   D" and resid 21 and name    C)    (segid "   D" and resid 22 and name    N)     1.0    -38.2      4.8   2

assign (segid "   D" and resid 21 and name    C)    (segid "   D" and resid 22 and name    N)
       (segid "   D" and resid 22 and name   CA)    (segid "   D" and resid 22 and name    C)     1.0    -57.8      8.2   2

assign (segid "   D" and resid 22 and name    N)    (segid "   D" and resid 22 and name   CA)
       (segid "   D" and resid 22 and name    C)    (segid "   D" and resid 23 and name    N)     1.0    -48.2      9.1   2

assign (segid "   D" and resid 22 and name    C)    (segid "   D" and resid 23 and name    N)
       (segid "   D" and resid 23 and name   CA)    (segid "   D" and resid 23 and name    C)     1.0    -62.5      4.2   2

assign (segid "   D" and resid 23 and name    N)    (segid "   D" and resid 23 and name   CA)
       (segid "   D" and resid 23 and name    C)    (segid "   D" and resid 24 and name    N)     1.0    -38.6      5.4   2

assign (segid "   D" and resid 23 and name    C)    (segid "   D" and resid 24 and name    N)
       (segid "   D" and resid 24 and name   CA)    (segid "   D" and resid 24 and name    C)     1.0    -64.0      3.9   2

assign (segid "   D" and resid 24 and name    N)    (segid "   D" and resid 24 and name   CA)
       (segid "   D" and resid 24 and name    C)    (segid "   D" and resid 25 and name    N)     1.0    -43.6      7.9   2

assign (segid "   D" and resid 24 and name    C)    (segid "   D" and resid 25 and name    N)
       (segid "   D" and resid 25 and name   CA)    (segid "   D" and resid 25 and name    C)     1.0    -66.0      4.8   2

assign (segid "   D" and resid 25 and name    N)    (segid "   D" and resid 25 and name   CA)
       (segid "   D" and resid 25 and name    C)    (segid "   D" and resid 26 and name    N)     1.0    -40.9      4.4   2

assign (segid "   D" and resid 25 and name    C)    (segid "   D" and resid 26 and name    N)
       (segid "   D" and resid 26 and name   CA)    (segid "   D" and resid 26 and name    C)     1.0    -64.1      5.6   2

assign (segid "   D" and resid 26 and name    N)    (segid "   D" and resid 26 and name   CA)
       (segid "   D" and resid 26 and name    C)    (segid "   D" and resid 27 and name    N)     1.0    -36.7     11.1   2

assign (segid "   D" and resid 26 and name    C)    (segid "   D" and resid 27 and name    N)
       (segid "   D" and resid 27 and name   CA)    (segid "   D" and resid 27 and name    C)     1.0    -76.5     14.5   2

assign (segid "   D" and resid 27 and name    N)    (segid "   D" and resid 27 and name   CA)
       (segid "   D" and resid 27 and name    C)    (segid "   D" and resid 28 and name    N)     1.0    -26.6     19.9   2

assign (segid "   D" and resid 27 and name    C)    (segid "   D" and resid 28 and name    N)
       (segid "   D" and resid 28 and name   CA)    (segid "   D" and resid 28 and name    C)     1.0    -62.5      7.8   2

assign (segid "   D" and resid 28 and name    N)    (segid "   D" and resid 28 and name   CA)
       (segid "   D" and resid 28 and name    C)    (segid "   D" and resid 29 and name    N)     1.0    -32.5     17.1   2

assign (segid "   D" and resid 28 and name    C)    (segid "   D" and resid 29 and name    N)
       (segid "   D" and resid 29 and name   CA)    (segid "   D" and resid 29 and name    C)     1.0    -74.8     13.2   2

assign (segid "   D" and resid 29 and name    N)    (segid "   D" and resid 29 and name   CA)
       (segid "   D" and resid 29 and name    C)    (segid "   D" and resid 30 and name    N)     1.0    -30.5     12.2   2

assign (segid "   D" and resid 30 and name    C)    (segid "   D" and resid 31 and name    N)
       (segid "   D" and resid 31 and name   CA)    (segid "   D" and resid 31 and name    C)     1.0    -77.0     20.4   2

assign (segid "   D" and resid 31 and name    N)    (segid "   D" and resid 31 and name   CA)
       (segid "   D" and resid 31 and name    C)    (segid "   D" and resid 32 and name    N)     1.0    135.6     10.9   2

assign (segid "   D" and resid 32 and name    C)    (segid "   D" and resid 33 and name    N)
       (segid "   D" and resid 33 and name   CA)    (segid "   D" and resid 33 and name    C)     1.0    -53.6     15.1   2

assign (segid "   D" and resid 33 and name    N)    (segid "   D" and resid 33 and name   CA)
       (segid "   D" and resid 33 and name    C)    (segid "   D" and resid 34 and name    N)     1.0    -43.5      9.9   2

assign (segid "   D" and resid 33 and name    C)    (segid "   D" and resid 34 and name    N)
       (segid "   D" and resid 34 and name   CA)    (segid "   D" and resid 34 and name    C)     1.0    -61.8     14.1   2

assign (segid "   D" and resid 34 and name    N)    (segid "   D" and resid 34 and name   CA)
       (segid "   D" and resid 34 and name    C)    (segid "   D" and resid 35 and name    N)     1.0    -39.9     13.9   2

assign (segid "   D" and resid 34 and name    C)    (segid "   D" and resid 35 and name    N)
       (segid "   D" and resid 35 and name   CA)    (segid "   D" and resid 35 and name    C)     1.0    -71.6      9.5   2

assign (segid "   D" and resid 35 and name    N)    (segid "   D" and resid 35 and name   CA)
       (segid "   D" and resid 35 and name    C)    (segid "   D" and resid 36 and name    N)     1.0    -40.6      7.9   2

assign (segid "   D" and resid 35 and name    C)    (segid "   D" and resid 36 and name    N)
       (segid "   D" and resid 36 and name   CA)    (segid "   D" and resid 36 and name    C)     1.0    -62.7      5.3   2

assign (segid "   D" and resid 36 and name    N)    (segid "   D" and resid 36 and name   CA)
       (segid "   D" and resid 36 and name    C)    (segid "   D" and resid 37 and name    N)     1.0    -48.4      6.7   2

assign (segid "   D" and resid 36 and name    C)    (segid "   D" and resid 37 and name    N)
       (segid "   D" and resid 37 and name   CA)    (segid "   D" and resid 37 and name    C)     1.0    -63.7      4.9   2

assign (segid "   D" and resid 37 and name    N)    (segid "   D" and resid 37 and name   CA)
       (segid "   D" and resid 37 and name    C)    (segid "   D" and resid 38 and name    N)     1.0    -42.8      5.6   2

assign (segid "   D" and resid 37 and name    C)    (segid "   D" and resid 38 and name    N)
       (segid "   D" and resid 38 and name   CA)    (segid "   D" and resid 38 and name    C)     1.0    -64.7      3.4   2

assign (segid "   D" and resid 38 and name    N)    (segid "   D" and resid 38 and name   CA)
       (segid "   D" and resid 38 and name    C)    (segid "   D" and resid 39 and name    N)     1.0    -38.5      4.6   2

assign (segid "   D" and resid 38 and name    C)    (segid "   D" and resid 39 and name    N)
       (segid "   D" and resid 39 and name   CA)    (segid "   D" and resid 39 and name    C)     1.0    -64.5      4.8   2

assign (segid "   D" and resid 39 and name    N)    (segid "   D" and resid 39 and name   CA)
       (segid "   D" and resid 39 and name    C)    (segid "   D" and resid 40 and name    N)     1.0    -45.2      4.6   2

assign (segid "   D" and resid 39 and name    C)    (segid "   D" and resid 40 and name    N)
       (segid "   D" and resid 40 and name   CA)    (segid "   D" and resid 40 and name    C)     1.0    -62.2      5.0   2

assign (segid "   D" and resid 40 and name    N)    (segid "   D" and resid 40 and name   CA)
       (segid "   D" and resid 40 and name    C)    (segid "   D" and resid 41 and name    N)     1.0    -41.1      6.8   2

assign (segid "   D" and resid 40 and name    C)    (segid "   D" and resid 41 and name    N)
       (segid "   D" and resid 41 and name   CA)    (segid "   D" and resid 41 and name    C)     1.0    -65.5      6.1   2

assign (segid "   D" and resid 41 and name    N)    (segid "   D" and resid 41 and name   CA)
       (segid "   D" and resid 41 and name    C)    (segid "   D" and resid 42 and name    N)     1.0    -44.0      6.8   2

assign (segid "   D" and resid 41 and name    C)    (segid "   D" and resid 42 and name    N)
       (segid "   D" and resid 42 and name   CA)    (segid "   D" and resid 42 and name    C)     1.0    -66.0      5.8   2

assign (segid "   D" and resid 42 and name    N)    (segid "   D" and resid 42 and name   CA)
       (segid "   D" and resid 42 and name    C)    (segid "   D" and resid 43 and name    N)     1.0    -38.7     13.0   2

assign (segid "   D" and resid 42 and name    C)    (segid "   D" and resid 43 and name    N)
       (segid "   D" and resid 43 and name   CA)    (segid "   D" and resid 43 and name    C)     1.0    -75.7     15.4   2

assign (segid "   D" and resid 43 and name    N)    (segid "   D" and resid 43 and name   CA)
       (segid "   D" and resid 43 and name    C)    (segid "   D" and resid 44 and name    N)     1.0    -37.8     16.8   2

assign (segid "   D" and resid 43 and name    C)    (segid "   D" and resid 44 and name    N)
       (segid "   D" and resid 44 and name   CA)    (segid "   D" and resid 44 and name    C)     1.0    -63.2      6.5   2

assign (segid "   D" and resid 44 and name    N)    (segid "   D" and resid 44 and name   CA)
       (segid "   D" and resid 44 and name    C)    (segid "   D" and resid 45 and name    N)     1.0    -35.2     11.6   2

assign (segid "   D" and resid 44 and name    C)    (segid "   D" and resid 45 and name    N)
       (segid "   D" and resid 45 and name   CA)    (segid "   D" and resid 45 and name    C)     1.0    -64.2      7.0   2

assign (segid "   D" and resid 45 and name    N)    (segid "   D" and resid 45 and name   CA)
       (segid "   D" and resid 45 and name    C)    (segid "   D" and resid 46 and name    N)     1.0    -37.6     11.6   2
!! H-BONDS; COPYRIGHT BY DANIEL COUTANDIN; ALL RIGHTS RESERVED

!! The following h-bonds could be detected long-range HNCO experimenta (DONE BY FRANK LOEHR)
!! 7 CO - 7  N
!! 5 CO - 9  N
!! 9 CO - 5  N
!! 3 CO - 11 N

!! 12 CO - 16 N
!! 15 CO - 19 N
!! 18 CO - 22 N
!! 19 CO - 23 N

!! 33 CO - 37 N
!! 38 CO - 42 N
!! 41 CO - 45 N


!! The following HN-Protons show low amount of exchange after 5 days
!! This indicates presence of h-bonds
!! 7,9
!! 15,18,19,20,21,22,23,24,25,25,27,28,30
!! 38

!! (3,10) helix in the end of 1st helix?? 



!! segid A: O-HN

!! betasheet
assign   
 ( segid "   A" and resid    7 and name   O )
 ( segid "   B" and resid    7 and name   HN )
    1.800   0.00    0.50
assign
 ( segid "   A" and resid    5 and name   O )
 ( segid "   B" and resid    9 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   A" and resid    9 and name   O )
 ( segid "   B" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    3 and name   O )
 ( segid "   B" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   A" and resid    12 and name   O )
 ( segid "   A" and resid    16 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    13 and name   O )
 ( segid "   A" and resid    17 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    14 and name   O )
 ( segid "   A" and resid    18 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    15 and name   O )
 ( segid "   A" and resid    19 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    16 and name   O )
 ( segid "   A" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    17 and name   O )
 ( segid "   A" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    18 and name   O )
 ( segid "   A" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    19 and name   O )
 ( segid "   A" and resid    23 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    20 and name   O )
 ( segid "   A" and resid    24 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    21 and name   O )
 ( segid "   A" and resid    25 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    22 and name   O )
 ( segid "   A" and resid    26 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    23 and name   O )
 ( segid "   A" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    24 and name   O )
 ( segid "   A" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign   
 ( segid "   A" and resid    33 and name   O )
 ( segid "   A" and resid    37 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    34 and name   O )
 ( segid "   A" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    35 and name   O )
 ( segid "   A" and resid    39 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    36 and name   O )
 ( segid "   A" and resid    40 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    37 and name   O )
 ( segid "   A" and resid    41 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    38 and name   O )
 ( segid "   A" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    39 and name   O )
 ( segid "   A" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    40 and name   O )
 ( segid "   A" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    41 and name   O )
 ( segid "   A" and resid    45 and name   HN )
    1.800   0.00    0.50


!! segid B: O-HN

!! betasheet
assign  
 ( segid "   B" and resid    7 and name   O )
 ( segid "   A" and resid    7 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    5 and name   O )
 ( segid "   A" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    9 and name   O )
 ( segid "   A" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    3 and name   O )
 ( segid "   A" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   B" and resid    12 and name   O )
 ( segid "   B" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    13 and name   O )
 ( segid "   B" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    14 and name   O )
 ( segid "   B" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    15 and name   O )
 ( segid "   B" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    16 and name   O )
 ( segid "   B" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    17 and name   O )
 ( segid "   B" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    18 and name   O )
 ( segid "   B" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    19 and name   O )
 ( segid "   B" and resid    23 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    20 and name   O )
 ( segid "   B" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    21 and name   O )
 ( segid "   B" and resid    25 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    22 and name   O )
 ( segid "   B" and resid    26 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    23 and name   O )
 ( segid "   B" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    24 and name   O )
 ( segid "   B" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign 
 ( segid "   B" and resid    33 and name   O )
 ( segid "   B" and resid    37 and name   HN )
    1.800   0.00    0.50
assign
 ( segid "   B" and resid    34 and name   O )
 ( segid "   B" and resid    38 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    35 and name   O )
 ( segid "   B" and resid    39 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    36 and name   O )
 ( segid "   B" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    37 and name   O )
 ( segid "   B" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    38 and name   O )
 ( segid "   B" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    39 and name   O )
 ( segid "   B" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    40 and name   O )
 ( segid "   B" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    41 and name   O )
 ( segid "   B" and resid    45 and name   HN )
    1.800   0.00    0.50



!! segid C: O-HN

!! betasheet
assign  
 ( segid "   C" and resid    7 and name   O )
 ( segid "   D" and resid    7 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    5 and name   O )
 ( segid "   D" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    9 and name   O )
 ( segid "   D" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    3 and name   O )
 ( segid "   D" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign   
 ( segid "   C" and resid    12 and name   O )
 ( segid "   C" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    13 and name   O )
 ( segid "   C" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    14 and name   O )
 ( segid "   C" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    15 and name   O )
 ( segid "   C" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    16 and name   O )
 ( segid "   C" and resid    20 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    17 and name   O )
 ( segid "   C" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    18 and name   O )
 ( segid "   C" and resid    22 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    19 and name   O )
 ( segid "   C" and resid    23 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    20 and name   O )
 ( segid "   C" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    21 and name   O )
 ( segid "   C" and resid    25 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    22 and name   O )
 ( segid "   C" and resid    26 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    23 and name   O )
 ( segid "   C" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    24 and name   O )
 ( segid "   C" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign  
 ( segid "   C" and resid    33 and name   O )
 ( segid "   C" and resid    37 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    34 and name   O )
 ( segid "   C" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    35 and name   O )
 ( segid "   C" and resid    39 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    36 and name   O )
 ( segid "   C" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    37 and name   O )
 ( segid "   C" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    38 and name   O )
 ( segid "   C" and resid    42 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    39 and name   O )
 ( segid "   C" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    40 and name   O )
 ( segid "   C" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    41 and name   O )
 ( segid "   C" and resid    45 and name   HN )
    1.800   0.00    0.50




!! segid D: O-HN

!! betasheet
assign  
 ( segid "   D" and resid    7 and name   O )
 ( segid "   C" and resid    7 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    5 and name   O )
 ( segid "   C" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    9 and name   O )
 ( segid "   C" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    3 and name   O )
 ( segid "   C" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   D" and resid    12 and name   O )
 ( segid "   D" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    13 and name   O )
 ( segid "   D" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    14 and name   O )
 ( segid "   D" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    15 and name   O )
 ( segid "   D" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    16 and name   O )
 ( segid "   D" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    17 and name   O )
 ( segid "   D" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    18 and name   O )
 ( segid "   D" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    19 and name   O )
 ( segid "   D" and resid    23 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    20 and name   O )
 ( segid "   D" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    21 and name   O )
 ( segid "   D" and resid    25 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    22 and name   O )
 ( segid "   D" and resid    26 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   D" and resid    23 and name   O )
 ( segid "   D" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    24 and name   O )
 ( segid "   D" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign  
 ( segid "   D" and resid    33 and name   O )
 ( segid "   D" and resid    37 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    34 and name   O )
 ( segid "   D" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    35 and name   O )
 ( segid "   D" and resid    39 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    36 and name   O )
 ( segid "   D" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    37 and name   O )
 ( segid "   D" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    38 and name   O )
 ( segid "   D" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    39 and name   O )
 ( segid "   D" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    40 and name   O )
 ( segid "   D" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    41 and name   O )
 ( segid "   D" and resid    45 and name   HN )
    1.800   0.00    0.50








!! segid A: O-N

!! betasheet
assign 
 ( segid "   A" and resid    7 and name   O )
 ( segid "   B" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    5 and name   O )
 ( segid "   B" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    9 and name   O )
 ( segid "   B" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    3 and name   O )
 ( segid "   B" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   A" and resid    12 and name   O )
 ( segid "   A" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    13 and name   O )
 ( segid "   A" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    14 and name   O )
 ( segid "   A" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    15 and name   O )
 ( segid "   A" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    16 and name   O )
 ( segid "   A" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    17 and name   O )
 ( segid "   A" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    18 and name   O )
 ( segid "   A" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    19 and name   O )
 ( segid "   A" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    20 and name   O )
 ( segid "   A" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    21 and name   O )
 ( segid "   A" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    22 and name   O )
 ( segid "   A" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    23 and name   O )
 ( segid "   A" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    24 and name   O )
 ( segid "   A" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   A" and resid    33 and name   O )
 ( segid "   A" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    34 and name   O )
 ( segid "   A" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    35 and name   O )
 ( segid "   A" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    36 and name   O )
 ( segid "   A" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    37 and name   O )
 ( segid "   A" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    38 and name   O )
 ( segid "   A" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    39 and name   O )
 ( segid "   A" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    40 and name   O )
 ( segid "   A" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    41 and name   O )
 ( segid "   A" and resid    45 and name   N )
    2.800   0.10    0.50


!! segid B: O-N

!! betasheet
assign 
 ( segid "   B" and resid    7 and name   O )
 ( segid "   A" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    5 and name   O )
 ( segid "   A" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    9 and name   O )
 ( segid "   A" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    3 and name   O )
 ( segid "   A" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign 
 ( segid "   B" and resid    12 and name   O )
 ( segid "   B" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    13 and name   O )
 ( segid "   B" and resid    17 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    14 and name   O )
 ( segid "   B" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    15 and name   O )
 ( segid "   B" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    16 and name   O )
 ( segid "   B" and resid    20 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    17 and name   O )
 ( segid "   B" and resid    21 and name  N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    18 and name   O )
 ( segid "   B" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    19 and name   O )
 ( segid "   B" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    20 and name   O )
 ( segid "   B" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    21 and name   O )
 ( segid "   B" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    22 and name   O )
 ( segid "   B" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    23 and name   O )
 ( segid "   B" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    24 and name   O )
 ( segid "   B" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   B" and resid    33 and name   O )
 ( segid "   B" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    34 and name   O )
 ( segid "   B" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    35 and name   O )
 ( segid "   B" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    36 and name   O )
 ( segid "   B" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    37 and name   O )
 ( segid "   B" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    38 and name   O )
 ( segid "   B" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    39 and name   O )
 ( segid "   B" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    40 and name   O )
 ( segid "   B" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    41 and name   O )
 ( segid "   B" and resid    45 and name   N )
    2.800   0.10    0.50



!! segid C: O-N

!! betasheet
assign  
 ( segid "   C" and resid    7 and name   O )
 ( segid "   D" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    5 and name   O )
 ( segid "   D" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    9 and name   O )
 ( segid "   D" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    3 and name   O )
 ( segid "   D" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   C" and resid    12 and name   O )
 ( segid "   C" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    13 and name   O )
 ( segid "   C" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    14 and name   O )
 ( segid "   C" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    15 and name   O )
 ( segid "   C" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    16 and name   O )
 ( segid "   C" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    17 and name   O )
 ( segid "   C" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    18 and name   O )
 ( segid "   C" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    19 and name   O )
 ( segid "   C" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    20 and name   O )
 ( segid "   C" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    21 and name   O )
 ( segid "   C" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    22 and name   O )
 ( segid "   C" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    23 and name   O )
 ( segid "   C" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    24 and name   O )
 ( segid "   C" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   C" and resid    33 and name   O )
 ( segid "   C" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    34 and name   O )
 ( segid "   C" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    35 and name   O )
 ( segid "   C" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    36 and name   O )
 ( segid "   C" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    37 and name   O )
 ( segid "   C" and resid    41 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   C" and resid    38 and name   O )
 ( segid "   C" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    39 and name   O )
 ( segid "   C" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    40 and name   O )
 ( segid "   C" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    41 and name   O )
 ( segid "   C" and resid    45 and name   N )
    2.800   0.10    0.50




!! segid D: O-N

!! betasheet
assign  
 ( segid "   D" and resid    7 and name   O )
 ( segid "   C" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    5 and name   O )
 ( segid "   C" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    9 and name   O )
 ( segid "   C" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    3 and name   O )
 ( segid "   C" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   D" and resid    12 and name   O )
 ( segid "   D" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    13 and name   O )
 ( segid "   D" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    14 and name   O )
 ( segid "   D" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    15 and name   O )
 ( segid "   D" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    16 and name   O )
 ( segid "   D" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    17 and name   O )
 ( segid "   D" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    18 and name   O )
 ( segid "   D" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    19 and name   O )
 ( segid "   D" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    20 and name   O )
 ( segid "   D" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    21 and name   O )
 ( segid "   D" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    22 and name   O )
 ( segid "   D" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    23 and name   O )
 ( segid "   D" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    24 and name   O )
 ( segid "   D" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   D" and resid    33 and name   O )
 ( segid "   D" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    34 and name   O )
 ( segid "   D" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    35 and name   O )
 ( segid "   D" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    36 and name   O )
 ( segid "   D" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    37 and name   O )
 ( segid "   D" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    38 and name   O )
 ( segid "   D" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    39 and name   O )
 ( segid "   D" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    40 and name   O )
 ( segid "   D" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    41 and name   O )
 ( segid "   D" and resid    45 and name   N )
    2.800   0.10    0.50
















assign (segid "   A" and resid   25 and name   HA) (segid "   B" and resid   17 and name HG2#) 2.268 2.268 3.732 weight 1.000 spectrum  1 peak   132 ! spec=13CA, no=132, id=1687, vol=2.620000e+06
    or (segid "   A" and resid   25 and name   HA) (segid "   C" and resid   17 and name HG2#)
assign (segid "   B" and resid   25 and name   HA) (segid "   A" and resid   17 and name HG2#) 2.268 2.268 3.732 weight 1.000 spectrum  1 peak   132 ! spec=13CA, no=132, id=1687, vol=2.620000e+06
    or (segid "   B" and resid   25 and name   HA) (segid "   D" and resid   17 and name HG2#)
assign (segid "   C" and resid   25 and name   HA) (segid "   D" and resid   17 and name HG2#) 2.268 2.268 3.732 weight 1.000 spectrum  1 peak   132 ! spec=13CA, no=132, id=1687, vol=2.620000e+06
    or (segid "   C" and resid   25 and name   HA) (segid "   A" and resid   17 and name HG2#)
assign (segid "   D" and resid   25 and name   HA) (segid "   C" and resid   17 and name HG2#) 2.268 2.268 3.732 weight 1.000 spectrum  1 peak   132 ! spec=13CA, no=132, id=1687, vol=2.620000e+06
    or (segid "   D" and resid   25 and name   HA) (segid "   B" and resid   17 and name HG2#)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.470 2.470 3.530 weight 1.000 spectrum  1 peak   133 ! spec=13CA, no=133, id=1688, vol=1.570000e+06
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   19 and name   HA) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   19 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.470 2.470 3.530 weight 1.000 spectrum  1 peak   133 ! spec=13CA, no=133, id=1688, vol=1.570000e+06
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   19 and name   HA) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   19 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.470 2.470 3.530 weight 1.000 spectrum  1 peak   133 ! spec=13CA, no=133, id=1688, vol=1.570000e+06
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   19 and name   HA) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   19 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.470 2.470 3.530 weight 1.000 spectrum  1 peak   133 ! spec=13CA, no=133, id=1688, vol=1.570000e+06
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   19 and name   HA) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak   135 ! spec=13CA, no=135, id=1690, vol=1.010000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak   135 ! spec=13CA, no=135, id=1690, vol=1.010000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak   135 ! spec=13CA, no=135, id=1690, vol=1.010000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak   135 ! spec=13CA, no=135, id=1690, vol=1.010000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.952 2.952 3.048 weight 1.000 spectrum  1 peak   136 ! spec=13CA, no=136, id=1691, vol=5.390000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.952 2.952 3.048 weight 1.000 spectrum  1 peak   136 ! spec=13CA, no=136, id=1691, vol=5.390000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.952 2.952 3.048 weight 1.000 spectrum  1 peak   136 ! spec=13CA, no=136, id=1691, vol=5.390000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.952 2.952 3.048 weight 1.000 spectrum  1 peak   136 ! spec=13CA, no=136, id=1691, vol=5.390000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   24 and name  HB#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak   137 ! spec=13CA, no=137, id=1692, vol=4.090000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   24 and name  HB#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak   137 ! spec=13CA, no=137, id=1692, vol=4.090000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   24 and name  HB#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak   137 ! spec=13CA, no=137, id=1692, vol=4.090000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   24 and name  HB#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak   137 ! spec=13CA, no=137, id=1692, vol=4.090000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#) 3.110 3.110 3.215 weight 1.000 spectrum  1 peak   138 ! spec=13CA, no=138, id=1693, vol=3.940000e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#) 3.110 3.110 3.215 weight 1.000 spectrum  1 peak   138 ! spec=13CA, no=138, id=1693, vol=3.940000e+05
    or (segid "   B" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#) 3.110 3.110 3.215 weight 1.000 spectrum  1 peak   138 ! spec=13CA, no=138, id=1693, vol=3.940000e+05
    or (segid "   C" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#) 3.110 3.110 3.215 weight 1.000 spectrum  1 peak   138 ! spec=13CA, no=138, id=1693, vol=3.940000e+05
    or (segid "   D" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HG2#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   141 ! spec=13CA, no=141, id=1694, vol=4.990000e+06
    or (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HG2#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   141 ! spec=13CA, no=141, id=1694, vol=4.990000e+06
    or (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HG2#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   141 ! spec=13CA, no=141, id=1694, vol=4.990000e+06
    or (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HG2#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   141 ! spec=13CA, no=141, id=1694, vol=4.990000e+06
    or (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    4 and name HG2#) 2.716 2.716 3.284 weight 1.000 spectrum  1 peak   153 ! spec=13CA, no=153, id=1703, vol=8.890000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    4 and name HG2#) 2.716 2.716 3.284 weight 1.000 spectrum  1 peak   153 ! spec=13CA, no=153, id=1703, vol=8.890000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    4 and name HG2#) 2.716 2.716 3.284 weight 1.000 spectrum  1 peak   153 ! spec=13CA, no=153, id=1703, vol=8.890000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    4 and name HG2#) 2.716 2.716 3.284 weight 1.000 spectrum  1 peak   153 ! spec=13CA, no=153, id=1703, vol=8.890000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   17 and name   HA) 2.173 0.590 0.590 weight 1.000 spectrum  1 peak   156 ! spec=13CA, no=156, id=1706, vol=3.390000e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   17 and name   HA) 2.173 0.590 0.590 weight 1.000 spectrum  1 peak   156 ! spec=13CA, no=156, id=1706, vol=3.390000e+06
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   17 and name   HA) 2.173 0.590 0.590 weight 1.000 spectrum  1 peak   156 ! spec=13CA, no=156, id=1706, vol=3.390000e+06
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   17 and name   HA) 2.173 0.590 0.590 weight 1.000 spectrum  1 peak   156 ! spec=13CA, no=156, id=1706, vol=3.390000e+06
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   16 and name   HA) 3.342 1.396 1.516 weight 1.000 spectrum  1 peak   159 ! spec=13CA, no=159, id=1708, vol=2.560000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   16 and name   HA)
    or (segid "   A" and resid   16 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   16 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   16 and name   HA) 3.342 1.396 1.516 weight 1.000 spectrum  1 peak   159 ! spec=13CA, no=159, id=1708, vol=2.560000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   16 and name   HA)
    or (segid "   B" and resid   16 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   16 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   16 and name   HA) 3.342 1.396 1.516 weight 1.000 spectrum  1 peak   159 ! spec=13CA, no=159, id=1708, vol=2.560000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   16 and name   HA)
    or (segid "   C" and resid   16 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   16 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   16 and name   HA) 3.342 1.396 1.516 weight 1.000 spectrum  1 peak   159 ! spec=13CA, no=159, id=1708, vol=2.560000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   16 and name   HA)
    or (segid "   D" and resid   16 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   16 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   17 and name HG2#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   160 ! spec=13CA, no=160, id=1709, vol=2.130000e+05
    or (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   17 and name HG2#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   160 ! spec=13CA, no=160, id=1709, vol=2.130000e+05
    or (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   17 and name HG2#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   160 ! spec=13CA, no=160, id=1709, vol=2.130000e+05
    or (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   17 and name HG2#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   160 ! spec=13CA, no=160, id=1709, vol=2.130000e+05
    or (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   14 and name   HA) 2.289 0.655 1.001 weight 1.000 spectrum  1 peak   165 ! spec=13CA, no=165, id=1714, vol=2.480000e+06
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   14 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   14 and name   HA) 2.289 0.655 1.001 weight 1.000 spectrum  1 peak   165 ! spec=13CA, no=165, id=1714, vol=2.480000e+06
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   14 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   14 and name   HA) 2.289 0.655 1.001 weight 1.000 spectrum  1 peak   165 ! spec=13CA, no=165, id=1714, vol=2.480000e+06
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   14 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   14 and name   HA) 2.289 0.655 1.001 weight 1.000 spectrum  1 peak   165 ! spec=13CA, no=165, id=1714, vol=2.480000e+06
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   14 and name   HA)
assign (segid "   A" and resid   42 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  1 peak   176 ! spec=13CA, no=176, id=1723, vol=1.030000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  1 peak   176 ! spec=13CA, no=176, id=1723, vol=1.030000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  1 peak   176 ! spec=13CA, no=176, id=1723, vol=1.030000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  1 peak   176 ! spec=13CA, no=176, id=1723, vol=1.030000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.113 2.113 4.341 weight 1.000 spectrum  1 peak   178 ! spec=13CA, no=178, id=1725, vol=4.010000e+06
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   19 and name  HG#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.113 2.113 4.341 weight 1.000 spectrum  1 peak   178 ! spec=13CA, no=178, id=1725, vol=4.010000e+06
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   19 and name  HG#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.113 2.113 4.341 weight 1.000 spectrum  1 peak   178 ! spec=13CA, no=178, id=1725, vol=4.010000e+06
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   19 and name  HG#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.113 2.113 4.341 weight 1.000 spectrum  1 peak   178 ! spec=13CA, no=178, id=1725, vol=4.010000e+06
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   19 and name  HG#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.922 2.922 3.078 weight 1.000 spectrum  1 peak   182 ! spec=13CA, no=182, id=1729, vol=5.730000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.922 2.922 3.078 weight 1.000 spectrum  1 peak   182 ! spec=13CA, no=182, id=1729, vol=5.730000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.922 2.922 3.078 weight 1.000 spectrum  1 peak   182 ! spec=13CA, no=182, id=1729, vol=5.730000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.922 2.922 3.078 weight 1.000 spectrum  1 peak   182 ! spec=13CA, no=182, id=1729, vol=5.730000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.898 1.050 1.300 weight 1.000 spectrum  1 peak   183 ! spec=13CA, no=183, id=1730, vol=6.020000e+05
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.898 1.050 1.300 weight 1.000 spectrum  1 peak   183 ! spec=13CA, no=183, id=1730, vol=6.020000e+05
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.898 1.050 1.300 weight 1.000 spectrum  1 peak   183 ! spec=13CA, no=183, id=1730, vol=6.020000e+05
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.898 1.050 1.300 weight 1.000 spectrum  1 peak   183 ! spec=13CA, no=183, id=1730, vol=6.020000e+05
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG1#) 3.181 3.181 2.819 weight 1.000 spectrum  1 peak   258 ! spec=13CA, no=258, id=1755, vol=3.440000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG1#) 3.181 3.181 2.819 weight 1.000 spectrum  1 peak   258 ! spec=13CA, no=258, id=1755, vol=3.440000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG1#) 3.181 3.181 2.819 weight 1.000 spectrum  1 peak   258 ! spec=13CA, no=258, id=1755, vol=3.440000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG1#) 3.181 3.181 2.819 weight 1.000 spectrum  1 peak   258 ! spec=13CA, no=258, id=1755, vol=3.440000e+05
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#) 2.924 2.924 3.076 weight 1.000 spectrum  1 peak   264 ! spec=13CA, no=264, id=1761, vol=5.710000e+05
    or (segid "   A" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#) 2.924 2.924 3.076 weight 1.000 spectrum  1 peak   264 ! spec=13CA, no=264, id=1761, vol=5.710000e+05
    or (segid "   B" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#) 2.924 2.924 3.076 weight 1.000 spectrum  1 peak   264 ! spec=13CA, no=264, id=1761, vol=5.710000e+05
    or (segid "   C" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#) 2.924 2.924 3.076 weight 1.000 spectrum  1 peak   264 ! spec=13CA, no=264, id=1761, vol=5.710000e+05
    or (segid "   D" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.534 1.561 2.354 weight 1.000 spectrum  1 peak   289 ! spec=13CA, no=289, id=1783, vol=1.830000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.534 1.561 2.354 weight 1.000 spectrum  1 peak   289 ! spec=13CA, no=289, id=1783, vol=1.830000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.534 1.561 2.354 weight 1.000 spectrum  1 peak   289 ! spec=13CA, no=289, id=1783, vol=1.830000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.534 1.561 2.354 weight 1.000 spectrum  1 peak   289 ! spec=13CA, no=289, id=1783, vol=1.830000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   27 and name   HG) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   290 ! spec=13CA, no=290, id=1784, vol=2.160000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   27 and name   HG) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   290 ! spec=13CA, no=290, id=1784, vol=2.160000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   27 and name   HG) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   290 ! spec=13CA, no=290, id=1784, vol=2.160000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   27 and name   HG) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   290 ! spec=13CA, no=290, id=1784, vol=2.160000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   21 and name  HB#) 4.093 2.095 2.095 weight 1.000 spectrum  1 peak   294 ! spec=13CA, no=294, id=1787, vol=7.580000e+04
    or (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   21 and name  HB#) 4.093 2.095 2.095 weight 1.000 spectrum  1 peak   294 ! spec=13CA, no=294, id=1787, vol=7.580000e+04
    or (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   21 and name  HB#) 4.093 2.095 2.095 weight 1.000 spectrum  1 peak   294 ! spec=13CA, no=294, id=1787, vol=7.580000e+04
    or (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   21 and name  HB#) 4.093 2.095 2.095 weight 1.000 spectrum  1 peak   294 ! spec=13CA, no=294, id=1787, vol=7.580000e+04
    or (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   21 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   296 ! spec=13CA, no=296, id=1789, vol=2.070000e+05
    or (segid "   A" and resid   22 and name   HA) (segid "   B" and resid   18 and name  HB#)
assign (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   21 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   296 ! spec=13CA, no=296, id=1789, vol=2.070000e+05
    or (segid "   B" and resid   22 and name   HA) (segid "   A" and resid   18 and name  HB#)
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   21 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   296 ! spec=13CA, no=296, id=1789, vol=2.070000e+05
    or (segid "   C" and resid   22 and name   HA) (segid "   D" and resid   18 and name  HB#)
assign (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   21 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   296 ! spec=13CA, no=296, id=1789, vol=2.070000e+05
    or (segid "   D" and resid   22 and name   HA) (segid "   C" and resid   18 and name  HB#)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name   HG) 3.051 3.051 2.949 weight 1.000 spectrum  1 peak   297 ! spec=13CA, no=297, id=1790, vol=4.420000e+05
    or (segid "   A" and resid   28 and name   HA) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   28 and name   HA) (segid "   B" and resid   27 and name   HG) 3.051 3.051 2.949 weight 1.000 spectrum  1 peak   297 ! spec=13CA, no=297, id=1790, vol=4.420000e+05
    or (segid "   B" and resid   28 and name   HA) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   27 and name   HG) 3.051 3.051 2.949 weight 1.000 spectrum  1 peak   297 ! spec=13CA, no=297, id=1790, vol=4.420000e+05
    or (segid "   C" and resid   28 and name   HA) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   27 and name   HG) 3.051 3.051 2.949 weight 1.000 spectrum  1 peak   297 ! spec=13CA, no=297, id=1790, vol=4.420000e+05
    or (segid "   D" and resid   28 and name   HA) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid   18 and name  HB#) 3.751 1.759 1.759 weight 1.000 spectrum  1 peak   301 ! spec=13CA, no=301, id=1794, vol=1.280000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   18 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid   18 and name  HB#) 3.751 1.759 1.759 weight 1.000 spectrum  1 peak   301 ! spec=13CA, no=301, id=1794, vol=1.280000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   18 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid   18 and name  HB#) 3.751 1.759 1.759 weight 1.000 spectrum  1 peak   301 ! spec=13CA, no=301, id=1794, vol=1.280000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   18 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid   18 and name  HB#) 3.751 1.759 1.759 weight 1.000 spectrum  1 peak   301 ! spec=13CA, no=301, id=1794, vol=1.280000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   18 and name  HB#)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   18 and name  HB#) 3.348 1.402 1.402 weight 1.000 spectrum  1 peak   302 ! spec=13CA, no=302, id=1795, vol=2.530000e+05
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   18 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   B" and resid   18 and name  HB#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   18 and name  HB#) 3.348 1.402 1.402 weight 1.000 spectrum  1 peak   302 ! spec=13CA, no=302, id=1795, vol=2.530000e+05
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   18 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   A" and resid   18 and name  HB#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   18 and name  HB#) 3.348 1.402 1.402 weight 1.000 spectrum  1 peak   302 ! spec=13CA, no=302, id=1795, vol=2.530000e+05
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   18 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   D" and resid   18 and name  HB#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   18 and name  HB#) 3.348 1.402 1.402 weight 1.000 spectrum  1 peak   302 ! spec=13CA, no=302, id=1795, vol=2.530000e+05
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   18 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   C" and resid   18 and name  HB#)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   18 and name  HB#) 3.988 1.988 1.988 weight 1.000 spectrum  1 peak   306 ! spec=13CA, no=306, id=1798, vol=8.860000e+04
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   18 and name  HB#)
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   18 and name  HB#) 3.988 1.988 1.988 weight 1.000 spectrum  1 peak   306 ! spec=13CA, no=306, id=1798, vol=8.860000e+04
    or (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   18 and name  HB#)
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   18 and name  HB#) 3.988 1.988 1.988 weight 1.000 spectrum  1 peak   306 ! spec=13CA, no=306, id=1798, vol=8.860000e+04
    or (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   18 and name  HB#)
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   18 and name  HB#) 3.988 1.988 1.988 weight 1.000 spectrum  1 peak   306 ! spec=13CA, no=306, id=1798, vol=8.860000e+04
    or (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   18 and name  HB#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  1 peak   307 ! spec=13CA, no=307, id=1799, vol=2.310000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  1 peak   307 ! spec=13CA, no=307, id=1799, vol=2.310000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  1 peak   307 ! spec=13CA, no=307, id=1799, vol=2.310000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  1 peak   307 ! spec=13CA, no=307, id=1799, vol=2.310000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name   HA)
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   22 and name  HG#) 3.032 3.032 2.968 weight 1.000 spectrum  1 peak   342 ! spec=13CA, no=342, id=1811, vol=4.590000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   22 and name  HG#) 3.032 3.032 2.968 weight 1.000 spectrum  1 peak   342 ! spec=13CA, no=342, id=1811, vol=4.590000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   22 and name  HG#) 3.032 3.032 2.968 weight 1.000 spectrum  1 peak   342 ! spec=13CA, no=342, id=1811, vol=4.590000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   22 and name  HG#) 3.032 3.032 2.968 weight 1.000 spectrum  1 peak   342 ! spec=13CA, no=342, id=1811, vol=4.590000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   A" and resid   18 and name   HA) (segid "   B" and resid   25 and name  HB#) 3.797 1.802 1.802 weight 1.000 spectrum  1 peak   352 ! spec=13CA, no=352, id=1820, vol=1.190000e+05
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   20 and name  HG#)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   18 and name   HA) (segid "   A" and resid   25 and name  HB#) 3.797 1.802 1.802 weight 1.000 spectrum  1 peak   352 ! spec=13CA, no=352, id=1820, vol=1.190000e+05
    or (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   20 and name  HG#)
    or (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   18 and name   HA) (segid "   D" and resid   25 and name  HB#) 3.797 1.802 1.802 weight 1.000 spectrum  1 peak   352 ! spec=13CA, no=352, id=1820, vol=1.190000e+05
    or (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   20 and name  HG#)
    or (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   18 and name   HA) (segid "   C" and resid   25 and name  HB#) 3.797 1.802 1.802 weight 1.000 spectrum  1 peak   352 ! spec=13CA, no=352, id=1820, vol=1.190000e+05
    or (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   20 and name  HG#)
    or (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   21 and name   HA) 3.588 3.588 2.412 weight 1.000 spectrum  1 peak   355 ! spec=13CA, no=355, id=1822, vol=1.670000e+05
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   21 and name   HA) 3.588 3.588 2.412 weight 1.000 spectrum  1 peak   355 ! spec=13CA, no=355, id=1822, vol=1.670000e+05
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   21 and name   HA)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   21 and name   HA) 3.588 3.588 2.412 weight 1.000 spectrum  1 peak   355 ! spec=13CA, no=355, id=1822, vol=1.670000e+05
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   21 and name   HA)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   21 and name   HA) 3.588 3.588 2.412 weight 1.000 spectrum  1 peak   355 ! spec=13CA, no=355, id=1822, vol=1.670000e+05
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   21 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HG#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   368 ! spec=13CA, no=368, id=1832, vol=3.100000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HG#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HG#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   368 ! spec=13CA, no=368, id=1832, vol=3.100000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HG#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HG#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   368 ! spec=13CA, no=368, id=1832, vol=3.100000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HG#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HG#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   368 ! spec=13CA, no=368, id=1832, vol=3.100000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HG#)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name  HG#) 3.776 3.776 2.224 weight 1.000 spectrum  1 peak   375 ! spec=13CA, no=375, id=1834, vol=1.230000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name  HG#) 3.776 3.776 2.224 weight 1.000 spectrum  1 peak   375 ! spec=13CA, no=375, id=1834, vol=1.230000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name  HG#) 3.776 3.776 2.224 weight 1.000 spectrum  1 peak   375 ! spec=13CA, no=375, id=1834, vol=1.230000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name  HG#) 3.776 3.776 2.224 weight 1.000 spectrum  1 peak   375 ! spec=13CA, no=375, id=1834, vol=1.230000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   20 and name  HG#) 3.233 3.233 2.767 weight 1.000 spectrum  1 peak   376 ! spec=13CA, no=376, id=1835, vol=3.120000e+05
    or (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   20 and name  HG#) 3.233 3.233 2.767 weight 1.000 spectrum  1 peak   376 ! spec=13CA, no=376, id=1835, vol=3.120000e+05
    or (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   20 and name  HG#) 3.233 3.233 2.767 weight 1.000 spectrum  1 peak   376 ! spec=13CA, no=376, id=1835, vol=3.120000e+05
    or (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   20 and name  HG#) 3.233 3.233 2.767 weight 1.000 spectrum  1 peak   376 ! spec=13CA, no=376, id=1835, vol=3.120000e+05
    or (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.789 2.789 3.211 weight 1.000 spectrum  1 peak   398 ! spec=13CA, no=398, id=1851, vol=7.570000e+05
    or (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HG#)
assign (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.789 2.789 3.211 weight 1.000 spectrum  1 peak   398 ! spec=13CA, no=398, id=1851, vol=7.570000e+05
    or (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HG#)
assign (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.789 2.789 3.211 weight 1.000 spectrum  1 peak   398 ! spec=13CA, no=398, id=1851, vol=7.570000e+05
    or (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HG#)
assign (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.789 2.789 3.211 weight 1.000 spectrum  1 peak   398 ! spec=13CA, no=398, id=1851, vol=7.570000e+05
    or (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HG#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HG#) 3.210 1.288 1.288 weight 1.000 spectrum  1 peak   400 ! spec=13CA, no=400, id=1853, vol=3.260000e+05
    or (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   12 and name  HG#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HG#) 3.210 1.288 1.288 weight 1.000 spectrum  1 peak   400 ! spec=13CA, no=400, id=1853, vol=3.260000e+05
    or (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   12 and name  HG#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HG#) 3.210 1.288 1.288 weight 1.000 spectrum  1 peak   400 ! spec=13CA, no=400, id=1853, vol=3.260000e+05
    or (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   12 and name  HG#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HG#) 3.210 1.288 1.288 weight 1.000 spectrum  1 peak   400 ! spec=13CA, no=400, id=1853, vol=3.260000e+05
    or (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   12 and name  HG#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   35 and name  HB#) 3.097 3.097 2.903 weight 1.000 spectrum  1 peak   401 ! spec=13CA, no=401, id=1854, vol=4.040000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   35 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   D" and resid   10 and name  HG#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   35 and name  HB#) 3.097 3.097 2.903 weight 1.000 spectrum  1 peak   401 ! spec=13CA, no=401, id=1854, vol=4.040000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   35 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   C" and resid   10 and name  HG#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   35 and name  HB#) 3.097 3.097 2.903 weight 1.000 spectrum  1 peak   401 ! spec=13CA, no=401, id=1854, vol=4.040000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   35 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   B" and resid   10 and name  HG#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   35 and name  HB#) 3.097 3.097 2.903 weight 1.000 spectrum  1 peak   401 ! spec=13CA, no=401, id=1854, vol=4.040000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   35 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   A" and resid   10 and name  HG#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   12 and name  HG#) 3.521 3.521 2.479 weight 1.000 spectrum  1 peak   406 ! spec=13CA, no=406, id=1858, vol=1.870000e+05
    or (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   35 and name  HB#)
    or (segid "   A" and resid   31 and name   HA) (segid "   C" and resid   35 and name  HB#)
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   12 and name  HG#) 3.521 3.521 2.479 weight 1.000 spectrum  1 peak   406 ! spec=13CA, no=406, id=1858, vol=1.870000e+05
    or (segid "   B" and resid   31 and name   HA) (segid "   B" and resid   35 and name  HB#)
    or (segid "   B" and resid   31 and name   HA) (segid "   D" and resid   35 and name  HB#)
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   12 and name  HG#) 3.521 3.521 2.479 weight 1.000 spectrum  1 peak   406 ! spec=13CA, no=406, id=1858, vol=1.870000e+05
    or (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   35 and name  HB#)
    or (segid "   C" and resid   31 and name   HA) (segid "   A" and resid   35 and name  HB#)
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   12 and name  HG#) 3.521 3.521 2.479 weight 1.000 spectrum  1 peak   406 ! spec=13CA, no=406, id=1858, vol=1.870000e+05
    or (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   35 and name  HB#)
    or (segid "   D" and resid   31 and name   HA) (segid "   B" and resid   35 and name  HB#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   11 and name  HA#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   414 ! spec=13CA, no=414, id=1865, vol=1.080000e+05
    or (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   11 and name  HA#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   414 ! spec=13CA, no=414, id=1865, vol=1.080000e+05
    or (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   11 and name  HA#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   414 ! spec=13CA, no=414, id=1865, vol=1.080000e+05
    or (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   11 and name  HA#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   414 ! spec=13CA, no=414, id=1865, vol=1.080000e+05
    or (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   35 and name  HB#) 1.755 1.755 4.245 weight 1.000 spectrum  1 peak   424 ! spec=13CA, no=424, id=1870, vol=1.220000e+07
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   48 and name  HG#)
assign (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   35 and name  HB#) 1.755 1.755 4.245 weight 1.000 spectrum  1 peak   424 ! spec=13CA, no=424, id=1870, vol=1.220000e+07
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   48 and name  HG#)
assign (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   35 and name  HB#) 1.755 1.755 4.245 weight 1.000 spectrum  1 peak   424 ! spec=13CA, no=424, id=1870, vol=1.220000e+07
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   48 and name  HG#)
assign (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   35 and name  HB#) 1.755 1.755 4.245 weight 1.000 spectrum  1 peak   424 ! spec=13CA, no=424, id=1870, vol=1.220000e+07
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   48 and name  HG#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   22 and name  HG#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak   426 ! spec=13CA, no=426, id=1871, vol=1.070000e+05
    or (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   22 and name  HG#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak   426 ! spec=13CA, no=426, id=1871, vol=1.070000e+05
    or (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   22 and name  HG#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak   426 ! spec=13CA, no=426, id=1871, vol=1.070000e+05
    or (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   22 and name  HG#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak   426 ! spec=13CA, no=426, id=1871, vol=1.070000e+05
    or (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    7 and name  HB#) 2.773 2.773 3.227 weight 1.000 spectrum  1 peak   427 ! spec=13CA, no=427, id=1872, vol=7.840000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid   10 and name  HG#)
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   A" and resid    8 and name  HG#) (segid "   D" and resid   46 and name  HB#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    7 and name  HB#) 2.773 2.773 3.227 weight 1.000 spectrum  1 peak   427 ! spec=13CA, no=427, id=1872, vol=7.840000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid   10 and name  HG#)
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   B" and resid    8 and name  HG#) (segid "   C" and resid   46 and name  HB#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    7 and name  HB#) 2.773 2.773 3.227 weight 1.000 spectrum  1 peak   427 ! spec=13CA, no=427, id=1872, vol=7.840000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid   10 and name  HG#)
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   C" and resid    8 and name  HG#) (segid "   B" and resid   46 and name  HB#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    7 and name  HB#) 2.773 2.773 3.227 weight 1.000 spectrum  1 peak   427 ! spec=13CA, no=427, id=1872, vol=7.840000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid   10 and name  HG#)
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   D" and resid    8 and name  HG#) (segid "   A" and resid   46 and name  HB#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   45 and name  HB#) 3.228 1.303 1.303 weight 1.000 spectrum  1 peak   429 ! spec=13CA, no=429, id=1874, vol=3.150000e+05
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   45 and name  HB#) 3.228 1.303 1.303 weight 1.000 spectrum  1 peak   429 ! spec=13CA, no=429, id=1874, vol=3.150000e+05
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   45 and name  HB#) 3.228 1.303 1.303 weight 1.000 spectrum  1 peak   429 ! spec=13CA, no=429, id=1874, vol=3.150000e+05
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   45 and name  HB#) 3.228 1.303 1.303 weight 1.000 spectrum  1 peak   429 ! spec=13CA, no=429, id=1874, vol=3.150000e+05
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   19 and name  HB#) 1.820 1.820 4.180 weight 1.000 spectrum  1 peak   432 ! spec=13CA, no=432, id=1875, vol=9.820000e+06
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   18 and name   HG)
    or (segid "   A" and resid   18 and name   HG) (segid "   B" and resid   21 and name   HG)
assign (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   19 and name  HB#) 1.820 1.820 4.180 weight 1.000 spectrum  1 peak   432 ! spec=13CA, no=432, id=1875, vol=9.820000e+06
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   18 and name   HG)
    or (segid "   B" and resid   18 and name   HG) (segid "   A" and resid   21 and name   HG)
assign (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   19 and name  HB#) 1.820 1.820 4.180 weight 1.000 spectrum  1 peak   432 ! spec=13CA, no=432, id=1875, vol=9.820000e+06
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   18 and name   HG)
    or (segid "   C" and resid   18 and name   HG) (segid "   D" and resid   21 and name   HG)
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   19 and name  HB#) 1.820 1.820 4.180 weight 1.000 spectrum  1 peak   432 ! spec=13CA, no=432, id=1875, vol=9.820000e+06
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   18 and name   HG) (segid "   C" and resid   21 and name   HG)
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name  HD#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   435 ! spec=13CA, no=435, id=1877, vol=4.990000e+06
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name  HD#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   435 ! spec=13CA, no=435, id=1877, vol=4.990000e+06
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name  HD#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   435 ! spec=13CA, no=435, id=1877, vol=4.990000e+06
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name  HD#) 2.037 0.519 0.519 weight 1.000 spectrum  1 peak   435 ! spec=13CA, no=435, id=1877, vol=4.990000e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid   10 and name  HG#) 3.331 1.387 2.078 weight 1.000 spectrum  1 peak   439 ! spec=13CA, no=439, id=1879, vol=2.610000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid   10 and name  HG#) 3.331 1.387 2.078 weight 1.000 spectrum  1 peak   439 ! spec=13CA, no=439, id=1879, vol=2.610000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid   10 and name  HG#) 3.331 1.387 2.078 weight 1.000 spectrum  1 peak   439 ! spec=13CA, no=439, id=1879, vol=2.610000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid   10 and name  HG#) 3.331 1.387 2.078 weight 1.000 spectrum  1 peak   439 ! spec=13CA, no=439, id=1879, vol=2.610000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HG#) 2.903 1.053 1.053 weight 1.000 spectrum  1 peak   440 ! spec=13CA, no=440, id=1880, vol=5.960000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HG#) 2.903 1.053 1.053 weight 1.000 spectrum  1 peak   440 ! spec=13CA, no=440, id=1880, vol=5.960000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HG#) 2.903 1.053 1.053 weight 1.000 spectrum  1 peak   440 ! spec=13CA, no=440, id=1880, vol=5.960000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HG#) 2.903 1.053 1.053 weight 1.000 spectrum  1 peak   440 ! spec=13CA, no=440, id=1880, vol=5.960000e+05
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   21 and name   HA) 2.602 0.846 0.846 weight 1.000 spectrum  1 peak   442 ! spec=13CA, no=442, id=1882, vol=1.150000e+06
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA)
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   21 and name   HA) 2.602 0.846 0.846 weight 1.000 spectrum  1 peak   442 ! spec=13CA, no=442, id=1882, vol=1.150000e+06
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA)
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   21 and name   HA) 2.602 0.846 0.846 weight 1.000 spectrum  1 peak   442 ! spec=13CA, no=442, id=1882, vol=1.150000e+06
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA)
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   21 and name   HA) 2.602 0.846 0.846 weight 1.000 spectrum  1 peak   442 ! spec=13CA, no=442, id=1882, vol=1.150000e+06
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA)
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name   HA) 2.421 0.733 0.851 weight 1.000 spectrum  1 peak   444 ! spec=13CA, no=444, id=1884, vol=1.770000e+06
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name   HA) 2.421 0.733 0.851 weight 1.000 spectrum  1 peak   444 ! spec=13CA, no=444, id=1884, vol=1.770000e+06
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name   HA) 2.421 0.733 0.851 weight 1.000 spectrum  1 peak   444 ! spec=13CA, no=444, id=1884, vol=1.770000e+06
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name   HA) 2.421 0.733 0.851 weight 1.000 spectrum  1 peak   444 ! spec=13CA, no=444, id=1884, vol=1.770000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   17 and name   HA) 2.964 2.964 3.036 weight 1.000 spectrum  1 peak   447 ! spec=13CA, no=447, id=1887, vol=5.260000e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   20 and name  HD#)
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   17 and name   HA) 2.964 2.964 3.036 weight 1.000 spectrum  1 peak   447 ! spec=13CA, no=447, id=1887, vol=5.260000e+05
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   20 and name  HD#)
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   17 and name   HA) 2.964 2.964 3.036 weight 1.000 spectrum  1 peak   447 ! spec=13CA, no=447, id=1887, vol=5.260000e+05
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   20 and name  HD#)
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   17 and name   HA) 2.964 2.964 3.036 weight 1.000 spectrum  1 peak   447 ! spec=13CA, no=447, id=1887, vol=5.260000e+05
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   20 and name  HD#)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak   455 ! spec=13CA, no=455, id=1895, vol=2.050000e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid    8 and name   HA) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    7 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak   455 ! spec=13CA, no=455, id=1895, vol=2.050000e+05
    or (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid    8 and name   HA) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    7 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak   455 ! spec=13CA, no=455, id=1895, vol=2.050000e+05
    or (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid    8 and name   HA) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    7 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak   455 ! spec=13CA, no=455, id=1895, vol=2.050000e+05
    or (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid    8 and name   HA) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   26 and name  HG#) 3.592 1.613 1.613 weight 1.000 spectrum  1 peak   465 ! spec=13CA, no=465, id=1899, vol=1.660000e+05
    or (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   26 and name  HG#) 3.592 1.613 1.613 weight 1.000 spectrum  1 peak   465 ! spec=13CA, no=465, id=1899, vol=1.660000e+05
    or (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   26 and name  HG#) 3.592 1.613 1.613 weight 1.000 spectrum  1 peak   465 ! spec=13CA, no=465, id=1899, vol=1.660000e+05
    or (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   26 and name  HG#) 3.592 1.613 1.613 weight 1.000 spectrum  1 peak   465 ! spec=13CA, no=465, id=1899, vol=1.660000e+05
    or (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    7 and name  HB#) 3.277 1.342 1.342 weight 1.000 spectrum  1 peak   467 ! spec=13CA, no=467, id=1901, vol=2.880000e+05
    or (segid "   A" and resid    9 and name   HB) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    7 and name  HB#) 3.277 1.342 1.342 weight 1.000 spectrum  1 peak   467 ! spec=13CA, no=467, id=1901, vol=2.880000e+05
    or (segid "   B" and resid    9 and name   HB) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    7 and name  HB#) 3.277 1.342 1.342 weight 1.000 spectrum  1 peak   467 ! spec=13CA, no=467, id=1901, vol=2.880000e+05
    or (segid "   C" and resid    9 and name   HB) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    7 and name  HB#) 3.277 1.342 1.342 weight 1.000 spectrum  1 peak   467 ! spec=13CA, no=467, id=1901, vol=2.880000e+05
    or (segid "   D" and resid    9 and name   HB) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.777 2.777 3.223 weight 1.000 spectrum  1 peak   478 ! spec=13CA, no=478, id=1904, vol=7.770000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.777 2.777 3.223 weight 1.000 spectrum  1 peak   478 ! spec=13CA, no=478, id=1904, vol=7.770000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.777 2.777 3.223 weight 1.000 spectrum  1 peak   478 ! spec=13CA, no=478, id=1904, vol=7.770000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.777 2.777 3.223 weight 1.000 spectrum  1 peak   478 ! spec=13CA, no=478, id=1904, vol=7.770000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name  HD#) 2.854 1.018 1.018 weight 1.000 spectrum  1 peak   479 ! spec=13CA, no=479, id=1905, vol=6.600000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#)
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name  HD#) 2.854 1.018 1.018 weight 1.000 spectrum  1 peak   479 ! spec=13CA, no=479, id=1905, vol=6.600000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#)
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name  HD#) 2.854 1.018 1.018 weight 1.000 spectrum  1 peak   479 ! spec=13CA, no=479, id=1905, vol=6.600000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#)
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name  HD#) 2.854 1.018 1.018 weight 1.000 spectrum  1 peak   479 ! spec=13CA, no=479, id=1905, vol=6.600000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#)
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HD#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   484 ! spec=13CA, no=484, id=1909, vol=2.130000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   10 and name  HG#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   48 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HD#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   484 ! spec=13CA, no=484, id=1909, vol=2.130000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   10 and name  HG#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   48 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HD#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   484 ! spec=13CA, no=484, id=1909, vol=2.130000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   10 and name  HG#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   48 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HD#) 3.446 1.484 1.484 weight 1.000 spectrum  1 peak   484 ! spec=13CA, no=484, id=1909, vol=2.130000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   10 and name  HG#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   48 and name  HB#)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HG#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak   494 ! spec=13CA, no=494, id=1915, vol=4.930000e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   D" and resid   20 and name  HD#)
assign (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name  HG#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak   494 ! spec=13CA, no=494, id=1915, vol=4.930000e+05
    or (segid "   B" and resid   13 and name   HA) (segid "   C" and resid   20 and name  HD#)
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name  HG#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak   494 ! spec=13CA, no=494, id=1915, vol=4.930000e+05
    or (segid "   C" and resid   13 and name   HA) (segid "   B" and resid   20 and name  HD#)
assign (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name  HG#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak   494 ! spec=13CA, no=494, id=1915, vol=4.930000e+05
    or (segid "   D" and resid   13 and name   HA) (segid "   A" and resid   20 and name  HD#)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name   HA) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak   495 ! spec=13CA, no=495, id=1916, vol=1.190000e+06
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name   HA)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name   HA) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak   495 ! spec=13CA, no=495, id=1916, vol=1.190000e+06
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name   HA)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name   HA) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak   495 ! spec=13CA, no=495, id=1916, vol=1.190000e+06
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name   HA)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name   HA) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak   495 ! spec=13CA, no=495, id=1916, vol=1.190000e+06
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name   HA)
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   45 and name  HB#) 3.157 3.157 2.843 weight 1.000 spectrum  1 peak   500 ! spec=13CA, no=500, id=1921, vol=3.600000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   45 and name  HB#) 3.157 3.157 2.843 weight 1.000 spectrum  1 peak   500 ! spec=13CA, no=500, id=1921, vol=3.600000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   45 and name  HB#) 3.157 3.157 2.843 weight 1.000 spectrum  1 peak   500 ! spec=13CA, no=500, id=1921, vol=3.600000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   45 and name  HB#) 3.157 3.157 2.843 weight 1.000 spectrum  1 peak   500 ! spec=13CA, no=500, id=1921, vol=3.600000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HG#) 2.006 0.503 0.503 weight 1.000 spectrum  1 peak   505 ! spec=13CA, no=505, id=1924, vol=5.480000e+06
    or (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HG#) 2.006 0.503 0.503 weight 1.000 spectrum  1 peak   505 ! spec=13CA, no=505, id=1924, vol=5.480000e+06
    or (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HG#) 2.006 0.503 0.503 weight 1.000 spectrum  1 peak   505 ! spec=13CA, no=505, id=1924, vol=5.480000e+06
    or (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HG#) 2.006 0.503 0.503 weight 1.000 spectrum  1 peak   505 ! spec=13CA, no=505, id=1924, vol=5.480000e+06
    or (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG) 2.877 2.877 3.123 weight 1.000 spectrum  1 peak   507 ! spec=13CA, no=507, id=1925, vol=6.290000e+05
    or (segid "   A" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG) 2.877 2.877 3.123 weight 1.000 spectrum  1 peak   507 ! spec=13CA, no=507, id=1925, vol=6.290000e+05
    or (segid "   B" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG) 2.877 2.877 3.123 weight 1.000 spectrum  1 peak   507 ! spec=13CA, no=507, id=1925, vol=6.290000e+05
    or (segid "   C" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG) 2.877 2.877 3.123 weight 1.000 spectrum  1 peak   507 ! spec=13CA, no=507, id=1925, vol=6.290000e+05
    or (segid "   D" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG) 2.878 2.878 3.122 weight 1.000 spectrum  1 peak   508 ! spec=13CA, no=508, id=1926, vol=6.270000e+05
    or (segid "   A" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG) 2.878 2.878 3.122 weight 1.000 spectrum  1 peak   508 ! spec=13CA, no=508, id=1926, vol=6.270000e+05
    or (segid "   B" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG) 2.878 2.878 3.122 weight 1.000 spectrum  1 peak   508 ! spec=13CA, no=508, id=1926, vol=6.270000e+05
    or (segid "   C" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG) 2.878 2.878 3.122 weight 1.000 spectrum  1 peak   508 ! spec=13CA, no=508, id=1926, vol=6.270000e+05
    or (segid "   D" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   11 and name  HA#) 4.142 2.145 2.145 weight 1.000 spectrum  1 peak   510 ! spec=13CA, no=510, id=1927, vol=7.060000e+04
    or (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   11 and name  HA#) 4.142 2.145 2.145 weight 1.000 spectrum  1 peak   510 ! spec=13CA, no=510, id=1927, vol=7.060000e+04
    or (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   11 and name  HA#) 4.142 2.145 2.145 weight 1.000 spectrum  1 peak   510 ! spec=13CA, no=510, id=1927, vol=7.060000e+04
    or (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   11 and name  HA#) 4.142 2.145 2.145 weight 1.000 spectrum  1 peak   510 ! spec=13CA, no=510, id=1927, vol=7.060000e+04
    or (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.277 0.648 0.648 weight 1.000 spectrum  1 peak   515 ! spec=13CA, no=515, id=1931, vol=2.560000e+06
    or (segid "   A" and resid   19 and name   HA) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.277 0.648 0.648 weight 1.000 spectrum  1 peak   515 ! spec=13CA, no=515, id=1931, vol=2.560000e+06
    or (segid "   B" and resid   19 and name   HA) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.277 0.648 0.648 weight 1.000 spectrum  1 peak   515 ! spec=13CA, no=515, id=1931, vol=2.560000e+06
    or (segid "   C" and resid   19 and name   HA) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.277 0.648 0.648 weight 1.000 spectrum  1 peak   515 ! spec=13CA, no=515, id=1931, vol=2.560000e+06
    or (segid "   D" and resid   19 and name   HA) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   27 and name   HA) 2.780 2.780 3.220 weight 1.000 spectrum  1 peak   516 ! spec=13CA, no=516, id=1932, vol=7.720000e+05
    or (segid "   A" and resid   27 and name   HA) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   27 and name   HA) 2.780 2.780 3.220 weight 1.000 spectrum  1 peak   516 ! spec=13CA, no=516, id=1932, vol=7.720000e+05
    or (segid "   B" and resid   27 and name   HA) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   27 and name   HA) 2.780 2.780 3.220 weight 1.000 spectrum  1 peak   516 ! spec=13CA, no=516, id=1932, vol=7.720000e+05
    or (segid "   C" and resid   27 and name   HA) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   27 and name   HA) 2.780 2.780 3.220 weight 1.000 spectrum  1 peak   516 ! spec=13CA, no=516, id=1932, vol=7.720000e+05
    or (segid "   D" and resid   27 and name   HA) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    7 and name   HG) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak   521 ! spec=13CA, no=521, id=1935, vol=6.110000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid    9 and name   HA)
assign (segid "   B" and resid    9 and name   HA) (segid "   B" and resid    7 and name   HG) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak   521 ! spec=13CA, no=521, id=1935, vol=6.110000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid    9 and name   HA)
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid    7 and name   HG) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak   521 ! spec=13CA, no=521, id=1935, vol=6.110000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid    9 and name   HA)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid    7 and name   HG) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak   521 ! spec=13CA, no=521, id=1935, vol=6.110000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid    9 and name   HA)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   19 and name  HB#) 3.053 3.053 2.947 weight 1.000 spectrum  1 peak   522 ! spec=13CA, no=522, id=1936, vol=4.400000e+05
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   23 and name   HA) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid   23 and name   HA) (segid "   B" and resid   10 and name  HB#)
    or (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   19 and name  HB#) 3.053 3.053 2.947 weight 1.000 spectrum  1 peak   522 ! spec=13CA, no=522, id=1936, vol=4.400000e+05
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   23 and name   HA)
    or (segid "   B" and resid   23 and name   HA) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid   23 and name   HA) (segid "   A" and resid   10 and name  HB#)
    or (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   19 and name  HB#) 3.053 3.053 2.947 weight 1.000 spectrum  1 peak   522 ! spec=13CA, no=522, id=1936, vol=4.400000e+05
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   23 and name   HA)
    or (segid "   C" and resid   23 and name   HA) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid   23 and name   HA) (segid "   D" and resid   10 and name  HB#)
    or (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   19 and name  HB#) 3.053 3.053 2.947 weight 1.000 spectrum  1 peak   522 ! spec=13CA, no=522, id=1936, vol=4.400000e+05
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   23 and name   HA)
    or (segid "   D" and resid   23 and name   HA) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid   23 and name   HA) (segid "   C" and resid   10 and name  HB#)
    or (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA) 2.066 0.533 0.533 weight 1.000 spectrum  1 peak   525 ! spec=13CA, no=525, id=1939, vol=4.590000e+06
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   45 and name   HA)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA) 2.066 0.533 0.533 weight 1.000 spectrum  1 peak   525 ! spec=13CA, no=525, id=1939, vol=4.590000e+06
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   45 and name   HA)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA) 2.066 0.533 0.533 weight 1.000 spectrum  1 peak   525 ! spec=13CA, no=525, id=1939, vol=4.590000e+06
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   45 and name   HA)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA) 2.066 0.533 0.533 weight 1.000 spectrum  1 peak   525 ! spec=13CA, no=525, id=1939, vol=4.590000e+06
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   45 and name   HA)
assign (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   46 and name   HA) 2.096 0.549 0.549 weight 1.000 spectrum  1 peak   526 ! spec=13CA, no=526, id=1940, vol=4.200000e+06
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   46 and name   HA) 2.096 0.549 0.549 weight 1.000 spectrum  1 peak   526 ! spec=13CA, no=526, id=1940, vol=4.200000e+06
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   46 and name   HA) 2.096 0.549 0.549 weight 1.000 spectrum  1 peak   526 ! spec=13CA, no=526, id=1940, vol=4.200000e+06
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   46 and name   HA) 2.096 0.549 0.549 weight 1.000 spectrum  1 peak   526 ! spec=13CA, no=526, id=1940, vol=4.200000e+06
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   32 and name  HD#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   527 ! spec=13CA, no=527, id=1941, vol=1.080000e+05
    or (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   32 and name  HD#) (segid "   C" and resid   30 and name   HG)
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   32 and name  HD#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   527 ! spec=13CA, no=527, id=1941, vol=1.080000e+05
    or (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   32 and name  HD#) (segid "   D" and resid   30 and name   HG)
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   32 and name  HD#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   527 ! spec=13CA, no=527, id=1941, vol=1.080000e+05
    or (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   32 and name  HD#) (segid "   A" and resid   30 and name   HG)
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   32 and name  HD#) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak   527 ! spec=13CA, no=527, id=1941, vol=1.080000e+05
    or (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   32 and name  HD#) (segid "   B" and resid   30 and name   HG)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#) 2.621 2.621 3.379 weight 1.000 spectrum  1 peak   539 ! spec=13CA, no=539, id=1951, vol=1.100000e+06
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    7 and name   HG)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   45 and name  HB#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#) 2.621 2.621 3.379 weight 1.000 spectrum  1 peak   539 ! spec=13CA, no=539, id=1951, vol=1.100000e+06
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    7 and name   HG)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   45 and name  HB#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#) 2.621 2.621 3.379 weight 1.000 spectrum  1 peak   539 ! spec=13CA, no=539, id=1951, vol=1.100000e+06
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    7 and name   HG)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   45 and name  HB#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#) 2.621 2.621 3.379 weight 1.000 spectrum  1 peak   539 ! spec=13CA, no=539, id=1951, vol=1.100000e+06
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    7 and name   HG)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   45 and name  HB#)
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   35 and name   HG) 3.081 3.081 2.919 weight 1.000 spectrum  1 peak   541 ! spec=13CA, no=541, id=1953, vol=4.170000e+05
    or (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   33 and name  HG#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    7 and name   HG)
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   35 and name   HG) 3.081 3.081 2.919 weight 1.000 spectrum  1 peak   541 ! spec=13CA, no=541, id=1953, vol=4.170000e+05
    or (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   33 and name  HG#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    7 and name   HG)
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   35 and name   HG) 3.081 3.081 2.919 weight 1.000 spectrum  1 peak   541 ! spec=13CA, no=541, id=1953, vol=4.170000e+05
    or (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   33 and name  HG#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    7 and name   HG)
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   35 and name   HG) 3.081 3.081 2.919 weight 1.000 spectrum  1 peak   541 ! spec=13CA, no=541, id=1953, vol=4.170000e+05
    or (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   33 and name  HG#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    7 and name   HG)
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   41 and name  HG#) 2.267 2.267 3.733 weight 1.000 spectrum  1 peak   550 ! spec=13CA, no=550, id=1957, vol=2.630000e+06
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   44 and name  HG#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    7 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   41 and name  HG#) 2.267 2.267 3.733 weight 1.000 spectrum  1 peak   550 ! spec=13CA, no=550, id=1957, vol=2.630000e+06
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   44 and name  HG#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    7 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   41 and name  HG#) 2.267 2.267 3.733 weight 1.000 spectrum  1 peak   550 ! spec=13CA, no=550, id=1957, vol=2.630000e+06
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   44 and name  HG#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    7 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   41 and name  HG#) 2.267 2.267 3.733 weight 1.000 spectrum  1 peak   550 ! spec=13CA, no=550, id=1957, vol=2.630000e+06
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   44 and name  HG#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    7 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   27 and name  HB#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   551 ! spec=13CA, no=551, id=1958, vol=2.930000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   27 and name  HB#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   551 ! spec=13CA, no=551, id=1958, vol=2.930000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   27 and name  HB#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   551 ! spec=13CA, no=551, id=1958, vol=2.930000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   27 and name  HB#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   551 ! spec=13CA, no=551, id=1958, vol=2.930000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   25 and name  HB#) 2.927 2.927 3.073 weight 1.000 spectrum  1 peak   557 ! spec=13CA, no=557, id=1961, vol=5.670000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   25 and name   HG)
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG1#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   25 and name  HB#) 2.927 2.927 3.073 weight 1.000 spectrum  1 peak   557 ! spec=13CA, no=557, id=1961, vol=5.670000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   25 and name   HG)
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG1#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   25 and name  HB#) 2.927 2.927 3.073 weight 1.000 spectrum  1 peak   557 ! spec=13CA, no=557, id=1961, vol=5.670000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   25 and name   HG)
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG1#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   25 and name  HB#) 2.927 2.927 3.073 weight 1.000 spectrum  1 peak   557 ! spec=13CA, no=557, id=1961, vol=5.670000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   25 and name   HG)
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG1#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   21 and name  HB#) 2.936 2.936 3.064 weight 1.000 spectrum  1 peak   558 ! spec=13CA, no=558, id=1962, vol=5.570000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   25 and name   HG)
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   21 and name  HB#) 2.936 2.936 3.064 weight 1.000 spectrum  1 peak   558 ! spec=13CA, no=558, id=1962, vol=5.570000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   25 and name   HG)
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   21 and name  HB#) 2.936 2.936 3.064 weight 1.000 spectrum  1 peak   558 ! spec=13CA, no=558, id=1962, vol=5.570000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   25 and name   HG)
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   21 and name  HB#) 2.936 2.936 3.064 weight 1.000 spectrum  1 peak   558 ! spec=13CA, no=558, id=1962, vol=5.570000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   25 and name   HG)
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#) 3.871 1.873 1.873 weight 1.000 spectrum  1 peak   566 ! spec=13CA, no=566, id=1968, vol=1.060000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#) 3.871 1.873 1.873 weight 1.000 spectrum  1 peak   566 ! spec=13CA, no=566, id=1968, vol=1.060000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#) 3.871 1.873 1.873 weight 1.000 spectrum  1 peak   566 ! spec=13CA, no=566, id=1968, vol=1.060000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#) 3.871 1.873 1.873 weight 1.000 spectrum  1 peak   566 ! spec=13CA, no=566, id=1968, vol=1.060000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   38 and name  HB#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak   567 ! spec=13CA, no=567, id=1969, vol=1.830000e+05
    or (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   35 and name   HG)
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   38 and name  HB#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak   567 ! spec=13CA, no=567, id=1969, vol=1.830000e+05
    or (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   35 and name   HG)
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   38 and name  HB#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak   567 ! spec=13CA, no=567, id=1969, vol=1.830000e+05
    or (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   35 and name   HG)
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   38 and name  HB#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak   567 ! spec=13CA, no=567, id=1969, vol=1.830000e+05
    or (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   35 and name   HG)
assign (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#) 3.410 1.453 1.453 weight 1.000 spectrum  1 peak   568 ! spec=13CA, no=568, id=1970, vol=2.270000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#) 3.410 1.453 1.453 weight 1.000 spectrum  1 peak   568 ! spec=13CA, no=568, id=1970, vol=2.270000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#) 3.410 1.453 1.453 weight 1.000 spectrum  1 peak   568 ! spec=13CA, no=568, id=1970, vol=2.270000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#) 3.410 1.453 1.453 weight 1.000 spectrum  1 peak   568 ! spec=13CA, no=568, id=1970, vol=2.270000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   25 and name  HB#) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak   569 ! spec=13CA, no=569, id=1971, vol=1.890000e+05
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   25 and name  HB#) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak   569 ! spec=13CA, no=569, id=1971, vol=1.890000e+05
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   25 and name  HB#) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak   569 ! spec=13CA, no=569, id=1971, vol=1.890000e+05
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   25 and name  HB#) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak   569 ! spec=13CA, no=569, id=1971, vol=1.890000e+05
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   24 and name   HA) 2.955 1.091 1.091 weight 1.000 spectrum  1 peak   570 ! spec=13CA, no=570, id=1972, vol=5.360000e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   24 and name   HA) 2.955 1.091 1.091 weight 1.000 spectrum  1 peak   570 ! spec=13CA, no=570, id=1972, vol=5.360000e+05
    or (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   24 and name   HA) 2.955 1.091 1.091 weight 1.000 spectrum  1 peak   570 ! spec=13CA, no=570, id=1972, vol=5.360000e+05
    or (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   24 and name   HA) 2.955 1.091 1.091 weight 1.000 spectrum  1 peak   570 ! spec=13CA, no=570, id=1972, vol=5.360000e+05
    or (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   38 and name   HA) 3.626 1.643 1.762 weight 1.000 spectrum  1 peak   571 ! spec=13CA, no=571, id=1973, vol=1.570000e+05
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   40 and name  HG#)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name  HG#)
    or (segid "   A" and resid   39 and name   HA) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   38 and name   HA) 3.626 1.643 1.762 weight 1.000 spectrum  1 peak   571 ! spec=13CA, no=571, id=1973, vol=1.570000e+05
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   40 and name  HG#)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   40 and name  HG#)
    or (segid "   B" and resid   39 and name   HA) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   38 and name   HA) 3.626 1.643 1.762 weight 1.000 spectrum  1 peak   571 ! spec=13CA, no=571, id=1973, vol=1.570000e+05
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   40 and name  HG#)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   40 and name  HG#)
    or (segid "   C" and resid   39 and name   HA) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   38 and name   HA) 3.626 1.643 1.762 weight 1.000 spectrum  1 peak   571 ! spec=13CA, no=571, id=1973, vol=1.570000e+05
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   40 and name  HG#)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   40 and name  HG#)
    or (segid "   D" and resid   39 and name   HA) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   18 and name  HB#) 2.802 0.981 0.981 weight 1.000 spectrum  1 peak   572 ! spec=13CA, no=572, id=1974, vol=7.370000e+05
    or (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   15 and name   HA) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   18 and name  HB#) 2.802 0.981 0.981 weight 1.000 spectrum  1 peak   572 ! spec=13CA, no=572, id=1974, vol=7.370000e+05
    or (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   15 and name   HA)
    or (segid "   B" and resid   15 and name   HA) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   18 and name  HB#) 2.802 0.981 0.981 weight 1.000 spectrum  1 peak   572 ! spec=13CA, no=572, id=1974, vol=7.370000e+05
    or (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   15 and name   HA)
    or (segid "   C" and resid   15 and name   HA) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   18 and name  HB#) 2.802 0.981 0.981 weight 1.000 spectrum  1 peak   572 ! spec=13CA, no=572, id=1974, vol=7.370000e+05
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   15 and name   HA)
    or (segid "   D" and resid   15 and name   HA) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HB#) 3.068 1.176 1.176 weight 1.000 spectrum  1 peak   573 ! spec=13CA, no=573, id=1975, vol=4.280000e+05
    or (segid "   A" and resid   28 and name   HA) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid   28 and name   HA) (segid "   B" and resid   27 and name  HB#) 3.068 1.176 1.176 weight 1.000 spectrum  1 peak   573 ! spec=13CA, no=573, id=1975, vol=4.280000e+05
    or (segid "   B" and resid   28 and name   HA) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   27 and name  HB#) 3.068 1.176 1.176 weight 1.000 spectrum  1 peak   573 ! spec=13CA, no=573, id=1975, vol=4.280000e+05
    or (segid "   C" and resid   28 and name   HA) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   27 and name  HB#) 3.068 1.176 1.176 weight 1.000 spectrum  1 peak   573 ! spec=13CA, no=573, id=1975, vol=4.280000e+05
    or (segid "   D" and resid   28 and name   HA) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   25 and name   HA) 2.569 0.825 0.825 weight 1.000 spectrum  1 peak   574 ! spec=13CA, no=574, id=1976, vol=1.240000e+06
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   25 and name   HA)
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   25 and name   HA) 2.569 0.825 0.825 weight 1.000 spectrum  1 peak   574 ! spec=13CA, no=574, id=1976, vol=1.240000e+06
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   25 and name   HA)
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   25 and name   HA) 2.569 0.825 0.825 weight 1.000 spectrum  1 peak   574 ! spec=13CA, no=574, id=1976, vol=1.240000e+06
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name   HA)
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   25 and name   HA) 2.569 0.825 0.825 weight 1.000 spectrum  1 peak   574 ! spec=13CA, no=574, id=1976, vol=1.240000e+06
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   25 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   14 and name   HA) 2.810 0.987 0.987 weight 1.000 spectrum  1 peak   576 ! spec=13CA, no=576, id=1978, vol=7.240000e+05
    or (segid "   A" and resid   14 and name   HA) (segid "   B" and resid   25 and name  HB#)
    or (segid "   A" and resid   14 and name   HA) (segid "   B" and resid   25 and name   HG)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   14 and name   HA) 2.810 0.987 0.987 weight 1.000 spectrum  1 peak   576 ! spec=13CA, no=576, id=1978, vol=7.240000e+05
    or (segid "   B" and resid   14 and name   HA) (segid "   A" and resid   25 and name  HB#)
    or (segid "   B" and resid   14 and name   HA) (segid "   A" and resid   25 and name   HG)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   14 and name   HA) 2.810 0.987 0.987 weight 1.000 spectrum  1 peak   576 ! spec=13CA, no=576, id=1978, vol=7.240000e+05
    or (segid "   C" and resid   14 and name   HA) (segid "   D" and resid   25 and name  HB#)
    or (segid "   C" and resid   14 and name   HA) (segid "   D" and resid   25 and name   HG)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   14 and name   HA) 2.810 0.987 0.987 weight 1.000 spectrum  1 peak   576 ! spec=13CA, no=576, id=1978, vol=7.240000e+05
    or (segid "   D" and resid   14 and name   HA) (segid "   C" and resid   25 and name  HB#)
    or (segid "   D" and resid   14 and name   HA) (segid "   C" and resid   25 and name   HG)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.370 0.702 0.702 weight 1.000 spectrum  1 peak   579 ! spec=13CA, no=579, id=1981, vol=2.010000e+06
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name   HA)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.370 0.702 0.702 weight 1.000 spectrum  1 peak   579 ! spec=13CA, no=579, id=1981, vol=2.010000e+06
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name   HA)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.370 0.702 0.702 weight 1.000 spectrum  1 peak   579 ! spec=13CA, no=579, id=1981, vol=2.010000e+06
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name   HA)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.370 0.702 0.702 weight 1.000 spectrum  1 peak   579 ! spec=13CA, no=579, id=1981, vol=2.010000e+06
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name   HA)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   18 and name   HA) 2.460 0.756 0.756 weight 1.000 spectrum  1 peak   580 ! spec=13CA, no=580, id=1982, vol=1.610000e+06
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   18 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   18 and name   HA) 2.460 0.756 0.756 weight 1.000 spectrum  1 peak   580 ! spec=13CA, no=580, id=1982, vol=1.610000e+06
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   18 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   18 and name   HA) 2.460 0.756 0.756 weight 1.000 spectrum  1 peak   580 ! spec=13CA, no=580, id=1982, vol=1.610000e+06
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   18 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   18 and name   HA) 2.460 0.756 0.756 weight 1.000 spectrum  1 peak   580 ! spec=13CA, no=580, id=1982, vol=1.610000e+06
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   18 and name   HA)
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  1 peak   581 ! spec=13CA, no=581, id=1983, vol=3.010000e+06
    or (segid "   A" and resid   48 and name   HA) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  1 peak   581 ! spec=13CA, no=581, id=1983, vol=3.010000e+06
    or (segid "   B" and resid   48 and name   HA) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  1 peak   581 ! spec=13CA, no=581, id=1983, vol=3.010000e+06
    or (segid "   C" and resid   48 and name   HA) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  1 peak   581 ! spec=13CA, no=581, id=1983, vol=3.010000e+06
    or (segid "   D" and resid   48 and name   HA) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HD#) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   583 ! spec=13CA, no=583, id=1984, vol=1.970000e+06
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HB#)
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HD#) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   583 ! spec=13CA, no=583, id=1984, vol=1.970000e+06
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HB#)
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HD#) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   583 ! spec=13CA, no=583, id=1984, vol=1.970000e+06
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HB#)
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HD#) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   583 ! spec=13CA, no=583, id=1984, vol=1.970000e+06
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   18 and name  HB#) 1.808 1.808 4.192 weight 1.000 spectrum  1 peak   595 ! spec=13CA, no=595, id=1989, vol=1.020000e+07
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   18 and name  HB#) 1.808 1.808 4.192 weight 1.000 spectrum  1 peak   595 ! spec=13CA, no=595, id=1989, vol=1.020000e+07
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   18 and name  HB#) 1.808 1.808 4.192 weight 1.000 spectrum  1 peak   595 ! spec=13CA, no=595, id=1989, vol=1.020000e+07
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   18 and name  HB#) 1.808 1.808 4.192 weight 1.000 spectrum  1 peak   595 ! spec=13CA, no=595, id=1989, vol=1.020000e+07
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak   603 ! spec=13CA, no=603, id=1994, vol=1.110000e+05
    or (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   12 and name  HB#)
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak   603 ! spec=13CA, no=603, id=1994, vol=1.110000e+05
    or (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   12 and name  HB#)
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak   603 ! spec=13CA, no=603, id=1994, vol=1.110000e+05
    or (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   12 and name  HB#)
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak   603 ! spec=13CA, no=603, id=1994, vol=1.110000e+05
    or (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   12 and name  HB#)
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name  HB#) 3.853 1.856 1.856 weight 1.000 spectrum  1 peak   604 ! spec=13CA, no=604, id=1995, vol=1.090000e+05
    or (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   12 and name  HB#)
    or (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   19 and name  HG#)
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name  HB#) 3.853 1.856 1.856 weight 1.000 spectrum  1 peak   604 ! spec=13CA, no=604, id=1995, vol=1.090000e+05
    or (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   12 and name  HB#)
    or (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   19 and name  HG#)
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name  HB#) 3.853 1.856 1.856 weight 1.000 spectrum  1 peak   604 ! spec=13CA, no=604, id=1995, vol=1.090000e+05
    or (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   12 and name  HB#)
    or (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   19 and name  HG#)
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name  HB#) 3.853 1.856 1.856 weight 1.000 spectrum  1 peak   604 ! spec=13CA, no=604, id=1995, vol=1.090000e+05
    or (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   12 and name  HB#)
    or (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   19 and name  HG#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HB#) 3.392 1.438 1.438 weight 1.000 spectrum  1 peak   606 ! spec=13CA, no=606, id=1997, vol=2.340000e+05
    or (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   25 and name  HB#)
assign (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HB#) 3.392 1.438 1.438 weight 1.000 spectrum  1 peak   606 ! spec=13CA, no=606, id=1997, vol=2.340000e+05
    or (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   25 and name  HB#)
assign (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HB#) 3.392 1.438 1.438 weight 1.000 spectrum  1 peak   606 ! spec=13CA, no=606, id=1997, vol=2.340000e+05
    or (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   25 and name  HB#)
assign (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HB#) 3.392 1.438 1.438 weight 1.000 spectrum  1 peak   606 ! spec=13CA, no=606, id=1997, vol=2.340000e+05
    or (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   25 and name  HB#)
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   10 and name  HB#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak   616 ! spec=13CA, no=616, id=1999, vol=1.180000e+05
    or (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   10 and name  HB#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak   616 ! spec=13CA, no=616, id=1999, vol=1.180000e+05
    or (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   10 and name  HB#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak   616 ! spec=13CA, no=616, id=1999, vol=1.180000e+05
    or (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   10 and name  HB#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak   616 ! spec=13CA, no=616, id=1999, vol=1.180000e+05
    or (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HD#) 2.359 0.696 0.696 weight 1.000 spectrum  1 peak   618 ! spec=13CA, no=618, id=2001, vol=2.070000e+06
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name  HD#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HD#) 2.359 0.696 0.696 weight 1.000 spectrum  1 peak   618 ! spec=13CA, no=618, id=2001, vol=2.070000e+06
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name  HD#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HD#) 2.359 0.696 0.696 weight 1.000 spectrum  1 peak   618 ! spec=13CA, no=618, id=2001, vol=2.070000e+06
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name  HD#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HD#) 2.359 0.696 0.696 weight 1.000 spectrum  1 peak   618 ! spec=13CA, no=618, id=2001, vol=2.070000e+06
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name  HD#)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   620 ! spec=13CA, no=620, id=2003, vol=2.370000e+06
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   620 ! spec=13CA, no=620, id=2003, vol=2.370000e+06
    or (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   620 ! spec=13CA, no=620, id=2003, vol=2.370000e+06
    or (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   620 ! spec=13CA, no=620, id=2003, vol=2.370000e+06
    or (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name   HA) 2.310 0.667 0.667 weight 1.000 spectrum  1 peak   626 ! spec=13CA, no=626, id=2008, vol=2.350000e+06
    or (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name   HA) 2.310 0.667 0.667 weight 1.000 spectrum  1 peak   626 ! spec=13CA, no=626, id=2008, vol=2.350000e+06
    or (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name   HA) 2.310 0.667 0.667 weight 1.000 spectrum  1 peak   626 ! spec=13CA, no=626, id=2008, vol=2.350000e+06
    or (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name   HA) 2.310 0.667 0.667 weight 1.000 spectrum  1 peak   626 ! spec=13CA, no=626, id=2008, vol=2.350000e+06
    or (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   19 and name   HA) 2.333 0.681 0.681 weight 1.000 spectrum  1 peak   627 ! spec=13CA, no=627, id=2009, vol=2.210000e+06
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   22 and name  HB#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   19 and name   HA) 2.333 0.681 0.681 weight 1.000 spectrum  1 peak   627 ! spec=13CA, no=627, id=2009, vol=2.210000e+06
    or (segid "   B" and resid   19 and name   HA) (segid "   B" and resid   22 and name  HB#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   19 and name   HA) 2.333 0.681 0.681 weight 1.000 spectrum  1 peak   627 ! spec=13CA, no=627, id=2009, vol=2.210000e+06
    or (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   22 and name  HB#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   19 and name   HA) 2.333 0.681 0.681 weight 1.000 spectrum  1 peak   627 ! spec=13CA, no=627, id=2009, vol=2.210000e+06
    or (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   22 and name  HB#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA) 2.899 1.050 1.050 weight 1.000 spectrum  1 peak   628 ! spec=13CA, no=628, id=2010, vol=6.010000e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name  HB#)
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    9 and name   HB)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA) 2.899 1.050 1.050 weight 1.000 spectrum  1 peak   628 ! spec=13CA, no=628, id=2010, vol=6.010000e+05
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name  HB#)
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    9 and name   HB)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA) 2.899 1.050 1.050 weight 1.000 spectrum  1 peak   628 ! spec=13CA, no=628, id=2010, vol=6.010000e+05
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name  HB#)
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    9 and name   HB)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA) 2.899 1.050 1.050 weight 1.000 spectrum  1 peak   628 ! spec=13CA, no=628, id=2010, vol=6.010000e+05
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name  HB#)
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    9 and name   HB)
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HB#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   631 ! spec=13CA, no=631, id=2013, vol=3.100000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HB#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   631 ! spec=13CA, no=631, id=2013, vol=3.100000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HB#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   631 ! spec=13CA, no=631, id=2013, vol=3.100000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HB#) 3.237 3.237 2.763 weight 1.000 spectrum  1 peak   631 ! spec=13CA, no=631, id=2013, vol=3.100000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   19 and name  HG#) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   632 ! spec=13CA, no=632, id=2014, vol=2.370000e+06
    or (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HA)
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   19 and name  HG#) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   632 ! spec=13CA, no=632, id=2014, vol=2.370000e+06
    or (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HA)
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   19 and name  HG#) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   632 ! spec=13CA, no=632, id=2014, vol=2.370000e+06
    or (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HA)
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   19 and name  HG#) 2.306 0.665 0.665 weight 1.000 spectrum  1 peak   632 ! spec=13CA, no=632, id=2014, vol=2.370000e+06
    or (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HA)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   19 and name  HG#) 2.111 2.111 3.889 weight 1.000 spectrum  1 peak   647 ! spec=13CA, no=647, id=2020, vol=4.030000e+06
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HB#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   40 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   19 and name  HG#) 2.111 2.111 3.889 weight 1.000 spectrum  1 peak   647 ! spec=13CA, no=647, id=2020, vol=4.030000e+06
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HB#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   40 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   19 and name  HG#) 2.111 2.111 3.889 weight 1.000 spectrum  1 peak   647 ! spec=13CA, no=647, id=2020, vol=4.030000e+06
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HB#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   40 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   19 and name  HG#) 2.111 2.111 3.889 weight 1.000 spectrum  1 peak   647 ! spec=13CA, no=647, id=2020, vol=4.030000e+06
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HB#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   40 and name  HB#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   30 and name  HB#) 2.277 2.277 3.723 weight 1.000 spectrum  1 peak   664 ! spec=13CA, no=664, id=2024, vol=2.560000e+06
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HB)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   19 and name  HG#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   30 and name  HB#) 2.277 2.277 3.723 weight 1.000 spectrum  1 peak   664 ! spec=13CA, no=664, id=2024, vol=2.560000e+06
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HB)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   19 and name  HG#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   30 and name  HB#) 2.277 2.277 3.723 weight 1.000 spectrum  1 peak   664 ! spec=13CA, no=664, id=2024, vol=2.560000e+06
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HB)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   19 and name  HG#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   30 and name  HB#) 2.277 2.277 3.723 weight 1.000 spectrum  1 peak   664 ! spec=13CA, no=664, id=2024, vol=2.560000e+06
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HB)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   19 and name  HG#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HG) 2.339 0.684 0.684 weight 1.000 spectrum  1 peak   666 ! spec=13CA, no=666, id=2025, vol=2.180000e+06
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name   HG)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HG) 2.339 0.684 0.684 weight 1.000 spectrum  1 peak   666 ! spec=13CA, no=666, id=2025, vol=2.180000e+06
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name   HG)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HG) 2.339 0.684 0.684 weight 1.000 spectrum  1 peak   666 ! spec=13CA, no=666, id=2025, vol=2.180000e+06
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name   HG)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HG) 2.339 0.684 0.684 weight 1.000 spectrum  1 peak   666 ! spec=13CA, no=666, id=2025, vol=2.180000e+06
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name   HG)
assign (segid "   A" and resid   46 and name  HB#) (segid "   C" and resid   19 and name  HG#) 3.044 3.044 2.956 weight 1.000 spectrum  1 peak   669 ! spec=13CA, no=669, id=2028, vol=4.480000e+05
    or (segid "   A" and resid   46 and name  HB#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   46 and name  HB#) (segid "   D" and resid   19 and name  HG#) 3.044 3.044 2.956 weight 1.000 spectrum  1 peak   669 ! spec=13CA, no=669, id=2028, vol=4.480000e+05
    or (segid "   B" and resid   46 and name  HB#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   46 and name  HB#) (segid "   A" and resid   19 and name  HG#) 3.044 3.044 2.956 weight 1.000 spectrum  1 peak   669 ! spec=13CA, no=669, id=2028, vol=4.480000e+05
    or (segid "   C" and resid   46 and name  HB#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   46 and name  HB#) (segid "   B" and resid   19 and name  HG#) 3.044 3.044 2.956 weight 1.000 spectrum  1 peak   669 ! spec=13CA, no=669, id=2028, vol=4.480000e+05
    or (segid "   D" and resid   46 and name  HB#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak   672 ! spec=13CA, no=672, id=2029, vol=1.010000e+06
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   13 and name  HB#)
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak   672 ! spec=13CA, no=672, id=2029, vol=1.010000e+06
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   13 and name  HB#)
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak   672 ! spec=13CA, no=672, id=2029, vol=1.010000e+06
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   13 and name  HB#)
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak   672 ! spec=13CA, no=672, id=2029, vol=1.010000e+06
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   13 and name  HB#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   673 ! spec=13CA, no=673, id=2030, vol=1.020000e+06
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   13 and name  HB#)
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   673 ! spec=13CA, no=673, id=2030, vol=1.020000e+06
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   13 and name  HB#)
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   673 ! spec=13CA, no=673, id=2030, vol=1.020000e+06
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   13 and name  HB#)
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   673 ! spec=13CA, no=673, id=2030, vol=1.020000e+06
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   13 and name  HB#)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name  HD#) 3.048 1.161 1.161 weight 1.000 spectrum  1 peak   679 ! spec=13CA, no=679, id=2034, vol=4.450000e+05
    or (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#)
assign (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   32 and name  HD#) 3.048 1.161 1.161 weight 1.000 spectrum  1 peak   679 ! spec=13CA, no=679, id=2034, vol=4.450000e+05
    or (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#)
assign (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   32 and name  HD#) 3.048 1.161 1.161 weight 1.000 spectrum  1 peak   679 ! spec=13CA, no=679, id=2034, vol=4.450000e+05
    or (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#)
assign (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   32 and name  HD#) 3.048 1.161 1.161 weight 1.000 spectrum  1 peak   679 ! spec=13CA, no=679, id=2034, vol=4.450000e+05
    or (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name   HA) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak   683 ! spec=13CA, no=683, id=2038, vol=1.520000e+05
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   35 and name  HB#)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name   HA) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak   683 ! spec=13CA, no=683, id=2038, vol=1.520000e+05
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   35 and name  HB#)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name   HA) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak   683 ! spec=13CA, no=683, id=2038, vol=1.520000e+05
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   35 and name  HB#)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name   HA) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak   683 ! spec=13CA, no=683, id=2038, vol=1.520000e+05
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   35 and name  HB#)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   40 and name  HB#) 3.021 3.021 2.979 weight 1.000 spectrum  1 peak   686 ! spec=13CA, no=686, id=2041, vol=4.690000e+05
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   20 and name  HB#)
    or (segid "   A" and resid   23 and name   HA) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid   23 and name   HA) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   40 and name  HB#) 3.021 3.021 2.979 weight 1.000 spectrum  1 peak   686 ! spec=13CA, no=686, id=2041, vol=4.690000e+05
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   23 and name   HA)
    or (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   20 and name  HB#)
    or (segid "   B" and resid   23 and name   HA) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid   23 and name   HA) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   40 and name  HB#) 3.021 3.021 2.979 weight 1.000 spectrum  1 peak   686 ! spec=13CA, no=686, id=2041, vol=4.690000e+05
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   23 and name   HA)
    or (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   20 and name  HB#)
    or (segid "   C" and resid   23 and name   HA) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid   23 and name   HA) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   40 and name  HB#) 3.021 3.021 2.979 weight 1.000 spectrum  1 peak   686 ! spec=13CA, no=686, id=2041, vol=4.690000e+05
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   23 and name   HA)
    or (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   20 and name  HB#)
    or (segid "   D" and resid   23 and name   HA) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid   23 and name   HA) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   31 and name   HB) 2.923 2.923 3.077 weight 1.000 spectrum  1 peak   689 ! spec=13CA, no=689, id=2043, vol=5.720000e+05
    or (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   35 and name  HB#)
    or (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   40 and name  HB#)
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   30 and name  HB#)
assign (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   31 and name   HB) 2.923 2.923 3.077 weight 1.000 spectrum  1 peak   689 ! spec=13CA, no=689, id=2043, vol=5.720000e+05
    or (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   35 and name  HB#)
    or (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   40 and name  HB#)
    or (segid "   B" and resid   27 and name   HA) (segid "   B" and resid   30 and name  HB#)
assign (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   31 and name   HB) 2.923 2.923 3.077 weight 1.000 spectrum  1 peak   689 ! spec=13CA, no=689, id=2043, vol=5.720000e+05
    or (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   35 and name  HB#)
    or (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   40 and name  HB#)
    or (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   30 and name  HB#)
assign (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   31 and name   HB) 2.923 2.923 3.077 weight 1.000 spectrum  1 peak   689 ! spec=13CA, no=689, id=2043, vol=5.720000e+05
    or (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   35 and name  HB#)
    or (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   40 and name  HB#)
    or (segid "   D" and resid   27 and name   HA) (segid "   D" and resid   30 and name  HB#)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   35 and name  HB#) 3.200 1.280 1.280 weight 1.000 spectrum  1 peak   692 ! spec=13CA, no=692, id=2045, vol=3.320000e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   C" and resid   30 and name  HB#)
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   35 and name  HB#) 3.200 1.280 1.280 weight 1.000 spectrum  1 peak   692 ! spec=13CA, no=692, id=2045, vol=3.320000e+05
    or (segid "   B" and resid   36 and name   HA) (segid "   D" and resid   30 and name  HB#)
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   35 and name  HB#) 3.200 1.280 1.280 weight 1.000 spectrum  1 peak   692 ! spec=13CA, no=692, id=2045, vol=3.320000e+05
    or (segid "   C" and resid   36 and name   HA) (segid "   A" and resid   30 and name  HB#)
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   35 and name  HB#) 3.200 1.280 1.280 weight 1.000 spectrum  1 peak   692 ! spec=13CA, no=692, id=2045, vol=3.320000e+05
    or (segid "   D" and resid   36 and name   HA) (segid "   B" and resid   30 and name  HB#)
assign (segid "   A" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HE#) 2.512 0.789 1.910 weight 1.000 spectrum  1 peak   696 ! spec=13CA, no=696, id=2048, vol=1.420000e+06
    or (segid "   A" and resid   28 and name   HA) (segid "   C" and resid   28 and name  HE#)
assign (segid "   B" and resid   28 and name   HA) (segid "   B" and resid   28 and name  HE#) 2.512 0.789 1.910 weight 1.000 spectrum  1 peak   696 ! spec=13CA, no=696, id=2048, vol=1.420000e+06
    or (segid "   B" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HE#)
assign (segid "   C" and resid   28 and name   HA) (segid "   C" and resid   28 and name  HE#) 2.512 0.789 1.910 weight 1.000 spectrum  1 peak   696 ! spec=13CA, no=696, id=2048, vol=1.420000e+06
    or (segid "   C" and resid   28 and name   HA) (segid "   A" and resid   28 and name  HE#)
assign (segid "   D" and resid   28 and name   HA) (segid "   D" and resid   28 and name  HE#) 2.512 0.789 1.910 weight 1.000 spectrum  1 peak   696 ! spec=13CA, no=696, id=2048, vol=1.420000e+06
    or (segid "   D" and resid   28 and name   HA) (segid "   B" and resid   28 and name  HE#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name  HE#) 2.506 0.785 0.785 weight 1.000 spectrum  1 peak   719 ! spec=13CA, no=719, id=2055, vol=1.440000e+06
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name  HE#) 2.506 0.785 0.785 weight 1.000 spectrum  1 peak   719 ! spec=13CA, no=719, id=2055, vol=1.440000e+06
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name  HE#) 2.506 0.785 0.785 weight 1.000 spectrum  1 peak   719 ! spec=13CA, no=719, id=2055, vol=1.440000e+06
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name  HE#) 2.506 0.785 0.785 weight 1.000 spectrum  1 peak   719 ! spec=13CA, no=719, id=2055, vol=1.440000e+06
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid    5 and name  HB#) (segid "   B" and resid    8 and name  HG#) 2.814 2.814 3.186 weight 1.000 spectrum  1 peak   721 ! spec=13CA, no=721, id=2057, vol=7.180000e+05
    or (segid "   A" and resid    5 and name  HB#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   B" and resid    5 and name  HB#) (segid "   A" and resid    8 and name  HG#) 2.814 2.814 3.186 weight 1.000 spectrum  1 peak   721 ! spec=13CA, no=721, id=2057, vol=7.180000e+05
    or (segid "   B" and resid    5 and name  HB#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   C" and resid    5 and name  HB#) (segid "   D" and resid    8 and name  HG#) 2.814 2.814 3.186 weight 1.000 spectrum  1 peak   721 ! spec=13CA, no=721, id=2057, vol=7.180000e+05
    or (segid "   C" and resid    5 and name  HB#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   D" and resid    5 and name  HB#) (segid "   C" and resid    8 and name  HG#) 2.814 2.814 3.186 weight 1.000 spectrum  1 peak   721 ! spec=13CA, no=721, id=2057, vol=7.180000e+05
    or (segid "   D" and resid    5 and name  HB#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA) 2.009 0.505 0.505 weight 1.000 spectrum  1 peak   724 ! spec=13CA, no=724, id=2060, vol=5.420000e+06
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA) 2.009 0.505 0.505 weight 1.000 spectrum  1 peak   724 ! spec=13CA, no=724, id=2060, vol=5.420000e+06
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA) 2.009 0.505 0.505 weight 1.000 spectrum  1 peak   724 ! spec=13CA, no=724, id=2060, vol=5.420000e+06
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA) 2.009 0.505 0.505 weight 1.000 spectrum  1 peak   724 ! spec=13CA, no=724, id=2060, vol=5.420000e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid    8 and name  HG#) 3.500 3.500 2.500 weight 1.000 spectrum  1 peak   729 ! spec=13CA, no=729, id=2065, vol=1.940000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid    8 and name  HG#) 3.500 3.500 2.500 weight 1.000 spectrum  1 peak   729 ! spec=13CA, no=729, id=2065, vol=1.940000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid    8 and name  HG#) 3.500 3.500 2.500 weight 1.000 spectrum  1 peak   729 ! spec=13CA, no=729, id=2065, vol=1.940000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid    8 and name  HG#) 3.500 3.500 2.500 weight 1.000 spectrum  1 peak   729 ! spec=13CA, no=729, id=2065, vol=1.940000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   13 and name  HB#) 3.287 1.350 1.350 weight 1.000 spectrum  1 peak   735 ! spec=13CA, no=735, id=2069, vol=2.830000e+05
    or (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   16 and name  HB#)
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   13 and name  HB#) 3.287 1.350 1.350 weight 1.000 spectrum  1 peak   735 ! spec=13CA, no=735, id=2069, vol=2.830000e+05
    or (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   16 and name  HB#)
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   13 and name  HB#) 3.287 1.350 1.350 weight 1.000 spectrum  1 peak   735 ! spec=13CA, no=735, id=2069, vol=2.830000e+05
    or (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   16 and name  HB#)
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   13 and name  HB#) 3.287 1.350 1.350 weight 1.000 spectrum  1 peak   735 ! spec=13CA, no=735, id=2069, vol=2.830000e+05
    or (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   16 and name  HB#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  1 peak   738 ! spec=13CA, no=738, id=2072, vol=7.860000e+06
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  1 peak   738 ! spec=13CA, no=738, id=2072, vol=7.860000e+06
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  1 peak   738 ! spec=13CA, no=738, id=2072, vol=7.860000e+06
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  1 peak   738 ! spec=13CA, no=738, id=2072, vol=7.860000e+06
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid    8 and name  HG#) 2.672 0.892 0.892 weight 1.000 spectrum  1 peak   741 ! spec=13CA, no=741, id=2074, vol=9.800000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid    8 and name  HG#) 2.672 0.892 0.892 weight 1.000 spectrum  1 peak   741 ! spec=13CA, no=741, id=2074, vol=9.800000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid    8 and name  HG#) 2.672 0.892 0.892 weight 1.000 spectrum  1 peak   741 ! spec=13CA, no=741, id=2074, vol=9.800000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid    8 and name  HG#) 2.672 0.892 0.892 weight 1.000 spectrum  1 peak   741 ! spec=13CA, no=741, id=2074, vol=9.800000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   16 and name   HA) 2.348 0.689 0.689 weight 1.000 spectrum  1 peak   757 ! spec=13CA, no=757, id=2083, vol=2.130000e+06
    or (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name   HA)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   16 and name   HA) 2.348 0.689 0.689 weight 1.000 spectrum  1 peak   757 ! spec=13CA, no=757, id=2083, vol=2.130000e+06
    or (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name   HA)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   16 and name   HA) 2.348 0.689 0.689 weight 1.000 spectrum  1 peak   757 ! spec=13CA, no=757, id=2083, vol=2.130000e+06
    or (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name   HA)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   16 and name   HA) 2.348 0.689 0.689 weight 1.000 spectrum  1 peak   757 ! spec=13CA, no=757, id=2083, vol=2.130000e+06
    or (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name   HA)
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name   HA) 2.030 0.515 0.515 weight 1.000 spectrum  1 peak   760 ! spec=13CA, no=760, id=2086, vol=5.090000e+06
    or (segid "   A" and resid   47 and name   HA) (segid "   C" and resid   19 and name  HE#)
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name   HA) 2.030 0.515 0.515 weight 1.000 spectrum  1 peak   760 ! spec=13CA, no=760, id=2086, vol=5.090000e+06
    or (segid "   B" and resid   47 and name   HA) (segid "   D" and resid   19 and name  HE#)
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name   HA) 2.030 0.515 0.515 weight 1.000 spectrum  1 peak   760 ! spec=13CA, no=760, id=2086, vol=5.090000e+06
    or (segid "   C" and resid   47 and name   HA) (segid "   A" and resid   19 and name  HE#)
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name   HA) 2.030 0.515 0.515 weight 1.000 spectrum  1 peak   760 ! spec=13CA, no=760, id=2086, vol=5.090000e+06
    or (segid "   D" and resid   47 and name   HA) (segid "   B" and resid   19 and name  HE#)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    5 and name  HB#) 3.262 3.262 2.738 weight 1.000 spectrum  1 peak   761 ! spec=13CA, no=761, id=2087, vol=2.960000e+05
    or (segid "   A" and resid    1 and name   HA) (segid "   B" and resid   12 and name  HB#)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HB#)
    or (segid "   A" and resid    3 and name   HA) (segid "   B" and resid    8 and name  HG#)
    or (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    1 and name   HA) (segid "   B" and resid    5 and name  HB#) 3.262 3.262 2.738 weight 1.000 spectrum  1 peak   761 ! spec=13CA, no=761, id=2087, vol=2.960000e+05
    or (segid "   B" and resid    1 and name   HA) (segid "   A" and resid   12 and name  HB#)
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HB#)
    or (segid "   B" and resid    3 and name   HA) (segid "   A" and resid    8 and name  HG#)
    or (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    1 and name   HA) (segid "   C" and resid    5 and name  HB#) 3.262 3.262 2.738 weight 1.000 spectrum  1 peak   761 ! spec=13CA, no=761, id=2087, vol=2.960000e+05
    or (segid "   C" and resid    1 and name   HA) (segid "   D" and resid   12 and name  HB#)
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HB#)
    or (segid "   C" and resid    3 and name   HA) (segid "   D" and resid    8 and name  HG#)
    or (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    1 and name   HA) (segid "   D" and resid    5 and name  HB#) 3.262 3.262 2.738 weight 1.000 spectrum  1 peak   761 ! spec=13CA, no=761, id=2087, vol=2.960000e+05
    or (segid "   D" and resid    1 and name   HA) (segid "   C" and resid   12 and name  HB#)
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HB#)
    or (segid "   D" and resid    3 and name   HA) (segid "   C" and resid    8 and name  HG#)
    or (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HA) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   763 ! spec=13CA, no=763, id=2088, vol=6.790000e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name  HB#)
    or (segid "   A" and resid   15 and name   HA) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HA) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   763 ! spec=13CA, no=763, id=2088, vol=6.790000e+05
    or (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   16 and name  HB#)
    or (segid "   B" and resid   15 and name   HA) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HA) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   763 ! spec=13CA, no=763, id=2088, vol=6.790000e+05
    or (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   16 and name  HB#)
    or (segid "   C" and resid   15 and name   HA) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HA) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   763 ! spec=13CA, no=763, id=2088, vol=6.790000e+05
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   16 and name  HB#)
    or (segid "   D" and resid   15 and name   HA) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   28 and name  HB#) 2.803 2.803 3.197 weight 1.000 spectrum  1 peak   767 ! spec=13CA, no=767, id=2091, vol=7.360000e+05
    or (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   29 and name  HB#)
    or (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   32 and name  HG#)
    or (segid "   A" and resid   30 and name  HB#) (segid "   C" and resid   29 and name  HB#)
    or (segid "   A" and resid   30 and name  HB#) (segid "   C" and resid   34 and name  HG#)
assign (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   28 and name  HB#) 2.803 2.803 3.197 weight 1.000 spectrum  1 peak   767 ! spec=13CA, no=767, id=2091, vol=7.360000e+05
    or (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   29 and name  HB#)
    or (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   32 and name  HG#)
    or (segid "   B" and resid   30 and name  HB#) (segid "   D" and resid   29 and name  HB#)
    or (segid "   B" and resid   30 and name  HB#) (segid "   D" and resid   34 and name  HG#)
assign (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   28 and name  HB#) 2.803 2.803 3.197 weight 1.000 spectrum  1 peak   767 ! spec=13CA, no=767, id=2091, vol=7.360000e+05
    or (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   29 and name  HB#)
    or (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   32 and name  HG#)
    or (segid "   C" and resid   30 and name  HB#) (segid "   A" and resid   29 and name  HB#)
    or (segid "   C" and resid   30 and name  HB#) (segid "   A" and resid   34 and name  HG#)
assign (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   28 and name  HB#) 2.803 2.803 3.197 weight 1.000 spectrum  1 peak   767 ! spec=13CA, no=767, id=2091, vol=7.360000e+05
    or (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   29 and name  HB#)
    or (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   32 and name  HG#)
    or (segid "   D" and resid   30 and name  HB#) (segid "   B" and resid   29 and name  HB#)
    or (segid "   D" and resid   30 and name  HB#) (segid "   B" and resid   34 and name  HG#)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   43 and name  HG#) 3.014 3.014 2.986 weight 1.000 spectrum  1 peak   768 ! spec=13CA, no=768, id=2092, vol=4.760000e+05
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   43 and name  HG#) 3.014 3.014 2.986 weight 1.000 spectrum  1 peak   768 ! spec=13CA, no=768, id=2092, vol=4.760000e+05
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   43 and name  HG#) 3.014 3.014 2.986 weight 1.000 spectrum  1 peak   768 ! spec=13CA, no=768, id=2092, vol=4.760000e+05
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   43 and name  HG#) 3.014 3.014 2.986 weight 1.000 spectrum  1 peak   768 ! spec=13CA, no=768, id=2092, vol=4.760000e+05
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   12 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   769 ! spec=13CA, no=769, id=2093, vol=1.300000e+05
    or (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   16 and name  HB#)
    or (segid "   A" and resid   15 and name  HB#) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   12 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   769 ! spec=13CA, no=769, id=2093, vol=1.300000e+05
    or (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   16 and name  HB#)
    or (segid "   B" and resid   15 and name  HB#) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   12 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   769 ! spec=13CA, no=769, id=2093, vol=1.300000e+05
    or (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   16 and name  HB#)
    or (segid "   C" and resid   15 and name  HB#) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   12 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   769 ! spec=13CA, no=769, id=2093, vol=1.300000e+05
    or (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   16 and name  HB#)
    or (segid "   D" and resid   15 and name  HB#) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   28 and name  HG#) 2.235 0.624 0.624 weight 1.000 spectrum  1 peak   784 ! spec=13CA, no=784, id=2097, vol=2.860000e+06
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   28 and name  HG#) 2.235 0.624 0.624 weight 1.000 spectrum  1 peak   784 ! spec=13CA, no=784, id=2097, vol=2.860000e+06
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   28 and name  HG#) 2.235 0.624 0.624 weight 1.000 spectrum  1 peak   784 ! spec=13CA, no=784, id=2097, vol=2.860000e+06
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   28 and name  HG#) 2.235 0.624 0.624 weight 1.000 spectrum  1 peak   784 ! spec=13CA, no=784, id=2097, vol=2.860000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HB#) 2.186 0.597 0.597 weight 1.000 spectrum  1 peak   785 ! spec=13CA, no=785, id=2098, vol=3.270000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HB#) 2.186 0.597 0.597 weight 1.000 spectrum  1 peak   785 ! spec=13CA, no=785, id=2098, vol=3.270000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HB#) 2.186 0.597 0.597 weight 1.000 spectrum  1 peak   785 ! spec=13CA, no=785, id=2098, vol=3.270000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HB#) 2.186 0.597 0.597 weight 1.000 spectrum  1 peak   785 ! spec=13CA, no=785, id=2098, vol=3.270000e+06
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name  HB#) 2.892 2.892 3.108 weight 1.000 spectrum  1 peak   797 ! spec=13CA, no=797, id=2104, vol=6.100000e+05
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name  HB#) 2.892 2.892 3.108 weight 1.000 spectrum  1 peak   797 ! spec=13CA, no=797, id=2104, vol=6.100000e+05
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name  HB#) 2.892 2.892 3.108 weight 1.000 spectrum  1 peak   797 ! spec=13CA, no=797, id=2104, vol=6.100000e+05
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name  HB#) 2.892 2.892 3.108 weight 1.000 spectrum  1 peak   797 ! spec=13CA, no=797, id=2104, vol=6.100000e+05
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   29 and name  HB#) 3.114 3.114 2.886 weight 1.000 spectrum  1 peak   798 ! spec=13CA, no=798, id=2105, vol=3.910000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid    2 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   29 and name  HB#) 3.114 3.114 2.886 weight 1.000 spectrum  1 peak   798 ! spec=13CA, no=798, id=2105, vol=3.910000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid    2 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   29 and name  HB#) 3.114 3.114 2.886 weight 1.000 spectrum  1 peak   798 ! spec=13CA, no=798, id=2105, vol=3.910000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid    2 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   29 and name  HB#) 3.114 3.114 2.886 weight 1.000 spectrum  1 peak   798 ! spec=13CA, no=798, id=2105, vol=3.910000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid    2 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   23 and name  HB#) 3.506 1.537 1.537 weight 1.000 spectrum  1 peak   804 ! spec=13CA, no=804, id=2109, vol=1.920000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   23 and name  HB#) 3.506 1.537 1.537 weight 1.000 spectrum  1 peak   804 ! spec=13CA, no=804, id=2109, vol=1.920000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   23 and name  HB#) 3.506 1.537 1.537 weight 1.000 spectrum  1 peak   804 ! spec=13CA, no=804, id=2109, vol=1.920000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   23 and name  HB#) 3.506 1.537 1.537 weight 1.000 spectrum  1 peak   804 ! spec=13CA, no=804, id=2109, vol=1.920000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name   HA) 2.879 1.036 1.036 weight 1.000 spectrum  1 peak   805 ! spec=13CA, no=805, id=2110, vol=6.260000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name   HA) 2.879 1.036 1.036 weight 1.000 spectrum  1 peak   805 ! spec=13CA, no=805, id=2110, vol=6.260000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   24 and name   HA)
    or (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name   HA) 2.879 1.036 1.036 weight 1.000 spectrum  1 peak   805 ! spec=13CA, no=805, id=2110, vol=6.260000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   24 and name   HA)
    or (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name   HA) 2.879 1.036 1.036 weight 1.000 spectrum  1 peak   805 ! spec=13CA, no=805, id=2110, vol=6.260000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   24 and name   HA)
    or (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   28 and name   HA) 2.170 0.588 0.588 weight 1.000 spectrum  1 peak   807 ! spec=13CA, no=807, id=2112, vol=3.420000e+06
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   28 and name   HA) 2.170 0.588 0.588 weight 1.000 spectrum  1 peak   807 ! spec=13CA, no=807, id=2112, vol=3.420000e+06
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   28 and name   HA) 2.170 0.588 0.588 weight 1.000 spectrum  1 peak   807 ! spec=13CA, no=807, id=2112, vol=3.420000e+06
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   28 and name   HA) 2.170 0.588 0.588 weight 1.000 spectrum  1 peak   807 ! spec=13CA, no=807, id=2112, vol=3.420000e+06
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    5 and name   HA) 1.892 0.448 0.448 weight 1.000 spectrum  1 peak   809 ! spec=13CA, no=809, id=2113, vol=7.770000e+06
    or (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    2 and name   HA)
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    5 and name   HA) 1.892 0.448 0.448 weight 1.000 spectrum  1 peak   809 ! spec=13CA, no=809, id=2113, vol=7.770000e+06
    or (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    2 and name   HA)
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    5 and name   HA) 1.892 0.448 0.448 weight 1.000 spectrum  1 peak   809 ! spec=13CA, no=809, id=2113, vol=7.770000e+06
    or (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    2 and name   HA)
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    5 and name   HA) 1.892 0.448 0.448 weight 1.000 spectrum  1 peak   809 ! spec=13CA, no=809, id=2113, vol=7.770000e+06
    or (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    2 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HB#) 3.279 3.279 2.721 weight 1.000 spectrum  1 peak   810 ! spec=13CA, no=810, id=2114, vol=2.870000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HB#)
assign (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    2 and name  HB#) 3.279 3.279 2.721 weight 1.000 spectrum  1 peak   810 ! spec=13CA, no=810, id=2114, vol=2.870000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HB#)
assign (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    2 and name  HB#) 3.279 3.279 2.721 weight 1.000 spectrum  1 peak   810 ! spec=13CA, no=810, id=2114, vol=2.870000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HB#)
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    2 and name  HB#) 3.279 3.279 2.721 weight 1.000 spectrum  1 peak   810 ! spec=13CA, no=810, id=2114, vol=2.870000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name  HB#) 3.435 1.475 1.475 weight 1.000 spectrum  1 peak   811 ! spec=13CA, no=811, id=2115, vol=2.170000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name  HB#) 3.435 1.475 1.475 weight 1.000 spectrum  1 peak   811 ! spec=13CA, no=811, id=2115, vol=2.170000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name  HB#) 3.435 1.475 1.475 weight 1.000 spectrum  1 peak   811 ! spec=13CA, no=811, id=2115, vol=2.170000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name  HB#) 3.435 1.475 1.475 weight 1.000 spectrum  1 peak   811 ! spec=13CA, no=811, id=2115, vol=2.170000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name   HA) 1.913 1.913 4.087 weight 1.000 spectrum  1 peak   813 ! spec=13CA, no=813, id=2117, vol=7.280000e+06
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name   HA) 1.913 1.913 4.087 weight 1.000 spectrum  1 peak   813 ! spec=13CA, no=813, id=2117, vol=7.280000e+06
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name  HB#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name   HA) 1.913 1.913 4.087 weight 1.000 spectrum  1 peak   813 ! spec=13CA, no=813, id=2117, vol=7.280000e+06
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name   HA) 1.913 1.913 4.087 weight 1.000 spectrum  1 peak   813 ! spec=13CA, no=813, id=2117, vol=7.280000e+06
    or (segid "   D" and resid   42 and name   HA) (segid "   D" and resid   42 and name  HB#)
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   29 and name   HA) 2.001 0.501 0.501 weight 1.000 spectrum  1 peak   814 ! spec=13CA, no=814, id=2118, vol=5.550000e+06
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   29 and name   HA) 2.001 0.501 0.501 weight 1.000 spectrum  1 peak   814 ! spec=13CA, no=814, id=2118, vol=5.550000e+06
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   29 and name   HA) 2.001 0.501 0.501 weight 1.000 spectrum  1 peak   814 ! spec=13CA, no=814, id=2118, vol=5.550000e+06
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   29 and name   HA) 2.001 0.501 0.501 weight 1.000 spectrum  1 peak   814 ! spec=13CA, no=814, id=2118, vol=5.550000e+06
    or (segid "   D" and resid   42 and name   HA) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   40 and name  HG#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak   817 ! spec=13CA, no=817, id=2121, vol=1.030000e+05
    or (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   40 and name  HG#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak   817 ! spec=13CA, no=817, id=2121, vol=1.030000e+05
    or (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   40 and name  HG#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak   817 ! spec=13CA, no=817, id=2121, vol=1.030000e+05
    or (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   40 and name  HG#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak   817 ! spec=13CA, no=817, id=2121, vol=1.030000e+05
    or (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HB#) 1.821 0.415 0.415 weight 1.000 spectrum  1 peak   821 ! spec=13CA, no=821, id=2122, vol=9.770000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name  HB#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HB#) 1.821 0.415 0.415 weight 1.000 spectrum  1 peak   821 ! spec=13CA, no=821, id=2122, vol=9.770000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name  HB#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HB#) 1.821 0.415 0.415 weight 1.000 spectrum  1 peak   821 ! spec=13CA, no=821, id=2122, vol=9.770000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name  HB#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HB#) 1.821 0.415 0.415 weight 1.000 spectrum  1 peak   821 ! spec=13CA, no=821, id=2122, vol=9.770000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name  HB#)
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name  HB#) 2.153 0.579 0.579 weight 1.000 spectrum  1 peak   823 ! spec=13CA, no=823, id=2124, vol=3.580000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name  HB#) 2.153 0.579 0.579 weight 1.000 spectrum  1 peak   823 ! spec=13CA, no=823, id=2124, vol=3.580000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name  HB#) 2.153 0.579 0.579 weight 1.000 spectrum  1 peak   823 ! spec=13CA, no=823, id=2124, vol=3.580000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name  HB#) 2.153 0.579 0.579 weight 1.000 spectrum  1 peak   823 ! spec=13CA, no=823, id=2124, vol=3.580000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name  HB#) 2.939 2.939 3.061 weight 1.000 spectrum  1 peak   824 ! spec=13CA, no=824, id=2125, vol=5.530000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name  HB#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name  HB#) 2.939 2.939 3.061 weight 1.000 spectrum  1 peak   824 ! spec=13CA, no=824, id=2125, vol=5.530000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name  HB#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name  HB#) 2.939 2.939 3.061 weight 1.000 spectrum  1 peak   824 ! spec=13CA, no=824, id=2125, vol=5.530000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name  HB#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name  HB#) 2.939 2.939 3.061 weight 1.000 spectrum  1 peak   824 ! spec=13CA, no=824, id=2125, vol=5.530000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name  HB#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name  HB#) 1.762 0.388 0.388 weight 1.000 spectrum  1 peak   835 ! spec=13CA, no=835, id=2129, vol=1.190000e+07
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name  HB#) 1.762 0.388 0.388 weight 1.000 spectrum  1 peak   835 ! spec=13CA, no=835, id=2129, vol=1.190000e+07
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name  HB#) 1.762 0.388 0.388 weight 1.000 spectrum  1 peak   835 ! spec=13CA, no=835, id=2129, vol=1.190000e+07
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name  HB#) 1.762 0.388 0.388 weight 1.000 spectrum  1 peak   835 ! spec=13CA, no=835, id=2129, vol=1.190000e+07
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   29 and name  HB#) 1.566 0.306 0.306 weight 1.000 spectrum  1 peak   837 ! spec=13CA, no=837, id=2130, vol=2.420000e+07
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   29 and name  HB#) 1.566 0.306 0.306 weight 1.000 spectrum  1 peak   837 ! spec=13CA, no=837, id=2130, vol=2.420000e+07
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   29 and name  HB#) 1.566 0.306 0.306 weight 1.000 spectrum  1 peak   837 ! spec=13CA, no=837, id=2130, vol=2.420000e+07
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   29 and name  HB#) 1.566 0.306 0.306 weight 1.000 spectrum  1 peak   837 ! spec=13CA, no=837, id=2130, vol=2.420000e+07
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   16 and name  HG#) 2.646 0.875 0.875 weight 1.000 spectrum  1 peak   839 ! spec=13CA, no=839, id=2132, vol=1.040000e+06
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   16 and name  HG#) 2.646 0.875 0.875 weight 1.000 spectrum  1 peak   839 ! spec=13CA, no=839, id=2132, vol=1.040000e+06
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   16 and name  HG#) 2.646 0.875 0.875 weight 1.000 spectrum  1 peak   839 ! spec=13CA, no=839, id=2132, vol=1.040000e+06
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   16 and name  HG#) 2.646 0.875 0.875 weight 1.000 spectrum  1 peak   839 ! spec=13CA, no=839, id=2132, vol=1.040000e+06
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   37 and name   HA) 2.862 1.024 1.024 weight 1.000 spectrum  1 peak   842 ! spec=13CA, no=842, id=2134, vol=6.490000e+05
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   40 and name  HG#)
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   37 and name   HA) 2.862 1.024 1.024 weight 1.000 spectrum  1 peak   842 ! spec=13CA, no=842, id=2134, vol=6.490000e+05
    or (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   40 and name  HG#)
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   37 and name   HA) 2.862 1.024 1.024 weight 1.000 spectrum  1 peak   842 ! spec=13CA, no=842, id=2134, vol=6.490000e+05
    or (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   40 and name  HG#)
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   37 and name   HA) 2.862 1.024 1.024 weight 1.000 spectrum  1 peak   842 ! spec=13CA, no=842, id=2134, vol=6.490000e+05
    or (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   40 and name  HG#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   38 and name  HB#) 3.064 3.064 2.936 weight 1.000 spectrum  1 peak   848 ! spec=13CA, no=848, id=2139, vol=4.310000e+05
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   38 and name  HB#) 3.064 3.064 2.936 weight 1.000 spectrum  1 peak   848 ! spec=13CA, no=848, id=2139, vol=4.310000e+05
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   38 and name  HB#) 3.064 3.064 2.936 weight 1.000 spectrum  1 peak   848 ! spec=13CA, no=848, id=2139, vol=4.310000e+05
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   38 and name  HB#) 3.064 3.064 2.936 weight 1.000 spectrum  1 peak   848 ! spec=13CA, no=848, id=2139, vol=4.310000e+05
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   41 and name  HB#) 3.088 3.088 2.912 weight 1.000 spectrum  1 peak   849 ! spec=13CA, no=849, id=2140, vol=4.110000e+05
    or (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   42 and name  HB#)
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   41 and name  HB#) 3.088 3.088 2.912 weight 1.000 spectrum  1 peak   849 ! spec=13CA, no=849, id=2140, vol=4.110000e+05
    or (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   42 and name  HB#)
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   41 and name  HB#) 3.088 3.088 2.912 weight 1.000 spectrum  1 peak   849 ! spec=13CA, no=849, id=2140, vol=4.110000e+05
    or (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   42 and name  HB#)
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   41 and name  HB#) 3.088 3.088 2.912 weight 1.000 spectrum  1 peak   849 ! spec=13CA, no=849, id=2140, vol=4.110000e+05
    or (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   42 and name  HB#)
assign (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name   HA) 2.242 0.628 0.628 weight 1.000 spectrum  1 peak   850 ! spec=13CA, no=850, id=2141, vol=2.810000e+06
    or (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   38 and name   HA)
assign (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name   HA) 2.242 0.628 0.628 weight 1.000 spectrum  1 peak   850 ! spec=13CA, no=850, id=2141, vol=2.810000e+06
    or (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   38 and name   HA)
assign (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name   HA) 2.242 0.628 0.628 weight 1.000 spectrum  1 peak   850 ! spec=13CA, no=850, id=2141, vol=2.810000e+06
    or (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   38 and name   HA)
assign (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name   HA) 2.242 0.628 0.628 weight 1.000 spectrum  1 peak   850 ! spec=13CA, no=850, id=2141, vol=2.810000e+06
    or (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   38 and name   HA)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name  HG#) 2.898 2.898 3.102 weight 1.000 spectrum  1 peak   853 ! spec=13CA, no=853, id=2143, vol=6.020000e+05
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   16 and name  HG#) 2.898 2.898 3.102 weight 1.000 spectrum  1 peak   853 ! spec=13CA, no=853, id=2143, vol=6.020000e+05
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   16 and name  HG#) 2.898 2.898 3.102 weight 1.000 spectrum  1 peak   853 ! spec=13CA, no=853, id=2143, vol=6.020000e+05
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   16 and name  HG#) 2.898 2.898 3.102 weight 1.000 spectrum  1 peak   853 ! spec=13CA, no=853, id=2143, vol=6.020000e+05
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   32 and name  HG#) 3.342 3.342 2.658 weight 1.000 spectrum  1 peak   858 ! spec=13CA, no=858, id=2148, vol=2.560000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   36 and name   HB)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   32 and name  HG#) 3.342 3.342 2.658 weight 1.000 spectrum  1 peak   858 ! spec=13CA, no=858, id=2148, vol=2.560000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   36 and name   HB)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   32 and name  HG#) 3.342 3.342 2.658 weight 1.000 spectrum  1 peak   858 ! spec=13CA, no=858, id=2148, vol=2.560000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   36 and name   HB)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   32 and name  HG#) 3.342 3.342 2.658 weight 1.000 spectrum  1 peak   858 ! spec=13CA, no=858, id=2148, vol=2.560000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   36 and name   HB)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HB#) 1.893 1.893 4.107 weight 1.000 spectrum  1 peak   862 ! spec=13CA, no=862, id=2151, vol=7.740000e+06
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name  HG#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HB#) 1.893 1.893 4.107 weight 1.000 spectrum  1 peak   862 ! spec=13CA, no=862, id=2151, vol=7.740000e+06
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name  HG#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HB#) 1.893 1.893 4.107 weight 1.000 spectrum  1 peak   862 ! spec=13CA, no=862, id=2151, vol=7.740000e+06
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name  HG#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HB#) 1.893 1.893 4.107 weight 1.000 spectrum  1 peak   862 ! spec=13CA, no=862, id=2151, vol=7.740000e+06
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name  HG#)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   14 and name  HB#) 3.704 3.704 2.296 weight 1.000 spectrum  1 peak   869 ! spec=13CA, no=869, id=2153, vol=1.380000e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HG#)
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   14 and name  HB#)
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   16 and name  HG#)
assign (segid "   B" and resid   17 and name   HA) (segid "   B" and resid   14 and name  HB#) 3.704 3.704 2.296 weight 1.000 spectrum  1 peak   869 ! spec=13CA, no=869, id=2153, vol=1.380000e+05
    or (segid "   B" and resid   17 and name   HA) (segid "   B" and resid   16 and name  HG#)
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   14 and name  HB#)
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   16 and name  HG#)
assign (segid "   C" and resid   17 and name   HA) (segid "   C" and resid   14 and name  HB#) 3.704 3.704 2.296 weight 1.000 spectrum  1 peak   869 ! spec=13CA, no=869, id=2153, vol=1.380000e+05
    or (segid "   C" and resid   17 and name   HA) (segid "   C" and resid   16 and name  HG#)
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   14 and name  HB#)
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   16 and name  HG#)
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   14 and name  HB#) 3.704 3.704 2.296 weight 1.000 spectrum  1 peak   869 ! spec=13CA, no=869, id=2153, vol=1.380000e+05
    or (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   16 and name  HG#)
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   14 and name  HB#)
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HG#)
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    4 and name   HA) 4.115 2.117 2.117 weight 1.000 spectrum  1 peak   870 ! spec=13CA, no=870, id=2154, vol=7.340000e+04
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   14 and name  HB#)
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    4 and name   HA) 4.115 2.117 2.117 weight 1.000 spectrum  1 peak   870 ! spec=13CA, no=870, id=2154, vol=7.340000e+04
    or (segid "   B" and resid    4 and name   HA) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   14 and name  HB#)
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    4 and name   HA) 4.115 2.117 2.117 weight 1.000 spectrum  1 peak   870 ! spec=13CA, no=870, id=2154, vol=7.340000e+04
    or (segid "   C" and resid    4 and name   HA) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   14 and name  HB#)
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    4 and name   HA) 4.115 2.117 2.117 weight 1.000 spectrum  1 peak   870 ! spec=13CA, no=870, id=2154, vol=7.340000e+04
    or (segid "   D" and resid    4 and name   HA) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   14 and name  HB#)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   13 and name   HA) 2.029 0.515 0.515 weight 1.000 spectrum  1 peak   871 ! spec=13CA, no=871, id=2155, vol=5.110000e+06
    or (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   33 and name   HA)
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   13 and name   HA) 2.029 0.515 0.515 weight 1.000 spectrum  1 peak   871 ! spec=13CA, no=871, id=2155, vol=5.110000e+06
    or (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   33 and name   HA)
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   13 and name   HA) 2.029 0.515 0.515 weight 1.000 spectrum  1 peak   871 ! spec=13CA, no=871, id=2155, vol=5.110000e+06
    or (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   33 and name   HA)
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   13 and name   HA) 2.029 0.515 0.515 weight 1.000 spectrum  1 peak   871 ! spec=13CA, no=871, id=2155, vol=5.110000e+06
    or (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   33 and name   HA)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid   14 and name  HB#) 3.557 3.557 2.443 weight 1.000 spectrum  1 peak   877 ! spec=13CA, no=877, id=2161, vol=1.760000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid    7 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   14 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid   14 and name  HB#) 3.557 3.557 2.443 weight 1.000 spectrum  1 peak   877 ! spec=13CA, no=877, id=2161, vol=1.760000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid    7 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   14 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid   14 and name  HB#) 3.557 3.557 2.443 weight 1.000 spectrum  1 peak   877 ! spec=13CA, no=877, id=2161, vol=1.760000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid    7 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   14 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid   14 and name  HB#) 3.557 3.557 2.443 weight 1.000 spectrum  1 peak   877 ! spec=13CA, no=877, id=2161, vol=1.760000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid    7 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   14 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   14 and name  HB#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   878 ! spec=13CA, no=878, id=2162, vol=1.230000e+05
    or (segid "   A" and resid   11 and name  HA#) (segid "   B" and resid    2 and name  HG#)
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   14 and name  HB#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   878 ! spec=13CA, no=878, id=2162, vol=1.230000e+05
    or (segid "   B" and resid   11 and name  HA#) (segid "   A" and resid    2 and name  HG#)
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   14 and name  HB#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   878 ! spec=13CA, no=878, id=2162, vol=1.230000e+05
    or (segid "   C" and resid   11 and name  HA#) (segid "   D" and resid    2 and name  HG#)
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   14 and name  HB#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   878 ! spec=13CA, no=878, id=2162, vol=1.230000e+05
    or (segid "   D" and resid   11 and name  HA#) (segid "   C" and resid    2 and name  HG#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   14 and name  HB#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   882 ! spec=13CA, no=882, id=2164, vol=6.240000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HE#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   16 and name  HG#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   14 and name  HB#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   882 ! spec=13CA, no=882, id=2164, vol=6.240000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HE#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   16 and name  HG#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   14 and name  HB#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   882 ! spec=13CA, no=882, id=2164, vol=6.240000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HE#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   16 and name  HG#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   14 and name  HB#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   882 ! spec=13CA, no=882, id=2164, vol=6.240000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HE#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   16 and name  HG#)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   17 and name   HB) 3.111 1.210 1.210 weight 1.000 spectrum  1 peak   884 ! spec=13CA, no=884, id=2166, vol=3.930000e+05
    or (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   14 and name  HB#)
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   17 and name   HB) 3.111 1.210 1.210 weight 1.000 spectrum  1 peak   884 ! spec=13CA, no=884, id=2166, vol=3.930000e+05
    or (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   14 and name  HB#)
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   17 and name   HB) 3.111 1.210 1.210 weight 1.000 spectrum  1 peak   884 ! spec=13CA, no=884, id=2166, vol=3.930000e+05
    or (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   14 and name  HB#)
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   17 and name   HB) 3.111 1.210 1.210 weight 1.000 spectrum  1 peak   884 ! spec=13CA, no=884, id=2166, vol=3.930000e+05
    or (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   14 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   19 and name  HG#) 2.933 2.933 3.067 weight 1.000 spectrum  1 peak   893 ! spec=13CA, no=893, id=2168, vol=5.600000e+05
    or (segid "   A" and resid   19 and name  HG#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   26 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   19 and name  HG#) 2.933 2.933 3.067 weight 1.000 spectrum  1 peak   893 ! spec=13CA, no=893, id=2168, vol=5.600000e+05
    or (segid "   B" and resid   19 and name  HG#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   26 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   19 and name  HG#) 2.933 2.933 3.067 weight 1.000 spectrum  1 peak   893 ! spec=13CA, no=893, id=2168, vol=5.600000e+05
    or (segid "   C" and resid   19 and name  HG#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   26 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   19 and name  HG#) 2.933 2.933 3.067 weight 1.000 spectrum  1 peak   893 ! spec=13CA, no=893, id=2168, vol=5.600000e+05
    or (segid "   D" and resid   19 and name  HG#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   26 and name  HB#)
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid    7 and name  HB#) 3.525 3.525 2.475 weight 1.000 spectrum  1 peak   894 ! spec=13CA, no=894, id=2169, vol=1.860000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid    7 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   14 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   16 and name  HG#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   A" and resid    7 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid    7 and name  HB#) 3.525 3.525 2.475 weight 1.000 spectrum  1 peak   894 ! spec=13CA, no=894, id=2169, vol=1.860000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid    7 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   14 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   16 and name  HG#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   B" and resid    7 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid    7 and name  HB#) 3.525 3.525 2.475 weight 1.000 spectrum  1 peak   894 ! spec=13CA, no=894, id=2169, vol=1.860000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid    7 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   14 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   16 and name  HG#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   C" and resid    7 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid    7 and name  HB#) 3.525 3.525 2.475 weight 1.000 spectrum  1 peak   894 ! spec=13CA, no=894, id=2169, vol=1.860000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid    7 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   14 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   16 and name  HG#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   D" and resid    7 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name  HB#) 3.009 3.009 2.991 weight 1.000 spectrum  1 peak   895 ! spec=13CA, no=895, id=2170, vol=4.800000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   48 and name  HB#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name  HB#) 3.009 3.009 2.991 weight 1.000 spectrum  1 peak   895 ! spec=13CA, no=895, id=2170, vol=4.800000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   48 and name  HB#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name  HB#) 3.009 3.009 2.991 weight 1.000 spectrum  1 peak   895 ! spec=13CA, no=895, id=2170, vol=4.800000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   48 and name  HB#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name  HB#) 3.009 3.009 2.991 weight 1.000 spectrum  1 peak   895 ! spec=13CA, no=895, id=2170, vol=4.800000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   48 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name  HG#) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   896 ! spec=13CA, no=896, id=2171, vol=2.160000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name  HG#) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   896 ! spec=13CA, no=896, id=2171, vol=2.160000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name  HG#) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   896 ! spec=13CA, no=896, id=2171, vol=2.160000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name  HG#) 3.438 1.477 1.477 weight 1.000 spectrum  1 peak   896 ! spec=13CA, no=896, id=2171, vol=2.160000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    2 and name  HG#) 3.249 3.249 2.751 weight 1.000 spectrum  1 peak   904 ! spec=13CA, no=904, id=2175, vol=3.030000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   26 and name  HB#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    2 and name  HG#) 3.249 3.249 2.751 weight 1.000 spectrum  1 peak   904 ! spec=13CA, no=904, id=2175, vol=3.030000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   26 and name  HB#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    2 and name  HG#) 3.249 3.249 2.751 weight 1.000 spectrum  1 peak   904 ! spec=13CA, no=904, id=2175, vol=3.030000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   26 and name  HB#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    2 and name  HG#) 3.249 3.249 2.751 weight 1.000 spectrum  1 peak   904 ! spec=13CA, no=904, id=2175, vol=3.030000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   26 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#) 3.427 1.468 1.468 weight 1.000 spectrum  1 peak   906 ! spec=13CA, no=906, id=2177, vol=2.200000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   22 and name  HG#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#) 3.427 1.468 1.468 weight 1.000 spectrum  1 peak   906 ! spec=13CA, no=906, id=2177, vol=2.200000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   22 and name  HG#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#) 3.427 1.468 1.468 weight 1.000 spectrum  1 peak   906 ! spec=13CA, no=906, id=2177, vol=2.200000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   22 and name  HG#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#) 3.427 1.468 1.468 weight 1.000 spectrum  1 peak   906 ! spec=13CA, no=906, id=2177, vol=2.200000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   22 and name  HG#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   26 and name  HG#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak   908 ! spec=13CA, no=908, id=2179, vol=2.120000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   26 and name  HB#)
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   26 and name  HG#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak   908 ! spec=13CA, no=908, id=2179, vol=2.120000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   26 and name  HB#)
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   26 and name  HG#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak   908 ! spec=13CA, no=908, id=2179, vol=2.120000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   26 and name  HB#)
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   26 and name  HG#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak   908 ! spec=13CA, no=908, id=2179, vol=2.120000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   26 and name  HB#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak   909 ! spec=13CA, no=909, id=2180, vol=3.040000e+06
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   26 and name   HA)
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak   909 ! spec=13CA, no=909, id=2180, vol=3.040000e+06
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   26 and name   HA)
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak   909 ! spec=13CA, no=909, id=2180, vol=3.040000e+06
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   26 and name   HA)
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak   909 ! spec=13CA, no=909, id=2180, vol=3.040000e+06
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   26 and name   HA)
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   14 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   910 ! spec=13CA, no=910, id=2181, vol=1.300000e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   B" and resid   26 and name  HG#)
    or (segid "   A" and resid   10 and name   HA) (segid "   B" and resid   26 and name  HB#)
assign (segid "   B" and resid   10 and name   HA) (segid "   B" and resid   14 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   910 ! spec=13CA, no=910, id=2181, vol=1.300000e+05
    or (segid "   B" and resid   10 and name   HA) (segid "   A" and resid   26 and name  HG#)
    or (segid "   B" and resid   10 and name   HA) (segid "   A" and resid   26 and name  HB#)
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   14 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   910 ! spec=13CA, no=910, id=2181, vol=1.300000e+05
    or (segid "   C" and resid   10 and name   HA) (segid "   D" and resid   26 and name  HG#)
    or (segid "   C" and resid   10 and name   HA) (segid "   D" and resid   26 and name  HB#)
assign (segid "   D" and resid   10 and name   HA) (segid "   D" and resid   14 and name  HB#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak   910 ! spec=13CA, no=910, id=2181, vol=1.300000e+05
    or (segid "   D" and resid   10 and name   HA) (segid "   C" and resid   26 and name  HG#)
    or (segid "   D" and resid   10 and name   HA) (segid "   C" and resid   26 and name  HB#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   928 ! spec=13CA, no=928, id=2191, vol=2.420000e+06
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   928 ! spec=13CA, no=928, id=2191, vol=2.420000e+06
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   928 ! spec=13CA, no=928, id=2191, vol=2.420000e+06
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   928 ! spec=13CA, no=928, id=2191, vol=2.420000e+06
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name  HB#) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak   935 ! spec=13CA, no=935, id=2193, vol=3.670000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name  HB#) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak   935 ! spec=13CA, no=935, id=2193, vol=3.670000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name  HB#) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak   935 ! spec=13CA, no=935, id=2193, vol=3.670000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name  HB#) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak   935 ! spec=13CA, no=935, id=2193, vol=3.670000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name  HB#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak   936 ! spec=13CA, no=936, id=2194, vol=2.920000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name  HB#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak   936 ! spec=13CA, no=936, id=2194, vol=2.920000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name  HB#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak   936 ! spec=13CA, no=936, id=2194, vol=2.920000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name  HB#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak   936 ! spec=13CA, no=936, id=2194, vol=2.920000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HG#) 1.396 0.244 0.244 weight 1.000 spectrum  1 peak   940 ! spec=13CA, no=940, id=2196, vol=4.810000e+07
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HG#) 1.396 0.244 0.244 weight 1.000 spectrum  1 peak   940 ! spec=13CA, no=940, id=2196, vol=4.810000e+07
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HG#) 1.396 0.244 0.244 weight 1.000 spectrum  1 peak   940 ! spec=13CA, no=940, id=2196, vol=4.810000e+07
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HG#) 1.396 0.244 0.244 weight 1.000 spectrum  1 peak   940 ! spec=13CA, no=940, id=2196, vol=4.810000e+07
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#) 2.137 0.571 0.571 weight 1.000 spectrum  1 peak   944 ! spec=13CA, no=944, id=2198, vol=3.740000e+06
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#) 2.137 0.571 0.571 weight 1.000 spectrum  1 peak   944 ! spec=13CA, no=944, id=2198, vol=3.740000e+06
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#) 2.137 0.571 0.571 weight 1.000 spectrum  1 peak   944 ! spec=13CA, no=944, id=2198, vol=3.740000e+06
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#) 2.137 0.571 0.571 weight 1.000 spectrum  1 peak   944 ! spec=13CA, no=944, id=2198, vol=3.740000e+06
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid    7 and name   HG) (segid "   D" and resid   47 and name  HG#) 3.066 1.175 1.462 weight 1.000 spectrum  1 peak   948 ! spec=13CA, no=948, id=2200, vol=4.290000e+05
    or (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG)
    or (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid    7 and name   HG) (segid "   C" and resid   47 and name  HG#) 3.066 1.175 1.462 weight 1.000 spectrum  1 peak   948 ! spec=13CA, no=948, id=2200, vol=4.290000e+05
    or (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG)
    or (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid    7 and name   HG) (segid "   B" and resid   47 and name  HG#) 3.066 1.175 1.462 weight 1.000 spectrum  1 peak   948 ! spec=13CA, no=948, id=2200, vol=4.290000e+05
    or (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG)
    or (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid    7 and name   HG) (segid "   A" and resid   47 and name  HG#) 3.066 1.175 1.462 weight 1.000 spectrum  1 peak   948 ! spec=13CA, no=948, id=2200, vol=4.290000e+05
    or (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG)
    or (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   34 and name  HB#) 3.554 3.554 2.446 weight 1.000 spectrum  1 peak   949 ! spec=13CA, no=949, id=2201, vol=1.770000e+05
    or (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   34 and name  HB#) 3.554 3.554 2.446 weight 1.000 spectrum  1 peak   949 ! spec=13CA, no=949, id=2201, vol=1.770000e+05
    or (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   34 and name  HB#) 3.554 3.554 2.446 weight 1.000 spectrum  1 peak   949 ! spec=13CA, no=949, id=2201, vol=1.770000e+05
    or (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   34 and name  HB#) 3.554 3.554 2.446 weight 1.000 spectrum  1 peak   949 ! spec=13CA, no=949, id=2201, vol=1.770000e+05
    or (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   41 and name  HG#) 2.900 1.052 1.180 weight 1.000 spectrum  1 peak   950 ! spec=13CA, no=950, id=2202, vol=5.990000e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HG#)
assign (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   41 and name  HG#) 2.900 1.052 1.180 weight 1.000 spectrum  1 peak   950 ! spec=13CA, no=950, id=2202, vol=5.990000e+05
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name  HG#)
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   41 and name  HG#) 2.900 1.052 1.180 weight 1.000 spectrum  1 peak   950 ! spec=13CA, no=950, id=2202, vol=5.990000e+05
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name  HG#)
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   41 and name  HG#) 2.900 1.052 1.180 weight 1.000 spectrum  1 peak   950 ! spec=13CA, no=950, id=2202, vol=5.990000e+05
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name  HG#)
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name   HA) 2.142 0.574 0.574 weight 1.000 spectrum  1 peak   958 ! spec=13CA, no=958, id=2210, vol=3.690000e+06
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name   HA) 2.142 0.574 0.574 weight 1.000 spectrum  1 peak   958 ! spec=13CA, no=958, id=2210, vol=3.690000e+06
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name   HA) 2.142 0.574 0.574 weight 1.000 spectrum  1 peak   958 ! spec=13CA, no=958, id=2210, vol=3.690000e+06
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name   HA) 2.142 0.574 0.574 weight 1.000 spectrum  1 peak   958 ! spec=13CA, no=958, id=2210, vol=3.690000e+06
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   23 and name  HG#) 3.525 1.553 1.553 weight 1.000 spectrum  1 peak   959 ! spec=13CA, no=959, id=2211, vol=1.860000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   29 and name  HG#)
    or (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   27 and name   HA) (segid "   B" and resid   23 and name  HG#) 3.525 1.553 1.553 weight 1.000 spectrum  1 peak   959 ! spec=13CA, no=959, id=2211, vol=1.860000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   27 and name   HA) (segid "   B" and resid   29 and name  HG#)
    or (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   23 and name  HG#) 3.525 1.553 1.553 weight 1.000 spectrum  1 peak   959 ! spec=13CA, no=959, id=2211, vol=1.860000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   29 and name  HG#)
    or (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   27 and name   HA) (segid "   D" and resid   23 and name  HG#) 3.525 1.553 1.553 weight 1.000 spectrum  1 peak   959 ! spec=13CA, no=959, id=2211, vol=1.860000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   27 and name   HA) (segid "   D" and resid   29 and name  HG#)
    or (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HA) 3.086 1.190 1.583 weight 1.000 spectrum  1 peak   961 ! spec=13CA, no=961, id=2212, vol=4.130000e+05
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   41 and name  HG#)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   44 and name  HG#)
    or (segid "   A" and resid   45 and name   HA) (segid "   A" and resid   47 and name  HG#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HA) 3.086 1.190 1.583 weight 1.000 spectrum  1 peak   961 ! spec=13CA, no=961, id=2212, vol=4.130000e+05
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   41 and name  HG#)
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   44 and name  HG#)
    or (segid "   B" and resid   45 and name   HA) (segid "   B" and resid   47 and name  HG#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HA) 3.086 1.190 1.583 weight 1.000 spectrum  1 peak   961 ! spec=13CA, no=961, id=2212, vol=4.130000e+05
    or (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   41 and name  HG#)
    or (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   44 and name  HG#)
    or (segid "   C" and resid   45 and name   HA) (segid "   C" and resid   47 and name  HG#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HA) 3.086 1.190 1.583 weight 1.000 spectrum  1 peak   961 ! spec=13CA, no=961, id=2212, vol=4.130000e+05
    or (segid "   D" and resid   45 and name   HA) (segid "   D" and resid   41 and name  HG#)
    or (segid "   D" and resid   45 and name   HA) (segid "   D" and resid   44 and name  HG#)
    or (segid "   D" and resid   45 and name   HA) (segid "   D" and resid   47 and name  HG#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   43 and name  HG#) 2.442 2.442 3.558 weight 1.000 spectrum  1 peak   962 ! spec=13CA, no=962, id=2213, vol=1.680000e+06
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   47 and name  HG#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   43 and name  HG#) 2.442 2.442 3.558 weight 1.000 spectrum  1 peak   962 ! spec=13CA, no=962, id=2213, vol=1.680000e+06
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   47 and name  HG#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   43 and name  HG#) 2.442 2.442 3.558 weight 1.000 spectrum  1 peak   962 ! spec=13CA, no=962, id=2213, vol=1.680000e+06
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   47 and name  HG#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   43 and name  HG#) 2.442 2.442 3.558 weight 1.000 spectrum  1 peak   962 ! spec=13CA, no=962, id=2213, vol=1.680000e+06
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   47 and name  HG#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name  HG#) 3.111 3.111 2.889 weight 1.000 spectrum  1 peak   967 ! spec=13CA, no=967, id=2214, vol=3.930000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HG#)
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   47 and name  HG#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name  HG#) 3.111 3.111 2.889 weight 1.000 spectrum  1 peak   967 ! spec=13CA, no=967, id=2214, vol=3.930000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HG#)
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   47 and name  HG#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name  HG#) 3.111 3.111 2.889 weight 1.000 spectrum  1 peak   967 ! spec=13CA, no=967, id=2214, vol=3.930000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HG#)
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   47 and name  HG#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name  HG#) 3.111 3.111 2.889 weight 1.000 spectrum  1 peak   967 ! spec=13CA, no=967, id=2214, vol=3.930000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HG#)
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   47 and name  HG#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   23 and name  HG#) 2.399 0.719 0.719 weight 1.000 spectrum  1 peak   973 ! spec=13CA, no=973, id=2218, vol=1.870000e+06
    or (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   23 and name  HG#) 2.399 0.719 0.719 weight 1.000 spectrum  1 peak   973 ! spec=13CA, no=973, id=2218, vol=1.870000e+06
    or (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   23 and name  HG#) 2.399 0.719 0.719 weight 1.000 spectrum  1 peak   973 ! spec=13CA, no=973, id=2218, vol=1.870000e+06
    or (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   23 and name  HG#) 2.399 0.719 0.719 weight 1.000 spectrum  1 peak   973 ! spec=13CA, no=973, id=2218, vol=1.870000e+06
    or (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   23 and name  HG#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   976 ! spec=13CA, no=976, id=2220, vol=1.230000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   22 and name  HG#) (segid "   C" and resid   47 and name  HG#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   23 and name  HG#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   976 ! spec=13CA, no=976, id=2220, vol=1.230000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   22 and name  HG#) (segid "   D" and resid   47 and name  HG#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   23 and name  HG#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   976 ! spec=13CA, no=976, id=2220, vol=1.230000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   22 and name  HG#) (segid "   A" and resid   47 and name  HG#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   23 and name  HG#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak   976 ! spec=13CA, no=976, id=2220, vol=1.230000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   22 and name  HG#) (segid "   B" and resid   47 and name  HG#)
assign (segid "   A" and resid   40 and name  HD#) (segid "   C" and resid   23 and name  HG#) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak   977 ! spec=13CA, no=977, id=2221, vol=4.050000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   43 and name  HG#)
assign (segid "   B" and resid   40 and name  HD#) (segid "   D" and resid   23 and name  HG#) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak   977 ! spec=13CA, no=977, id=2221, vol=4.050000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   43 and name  HG#)
assign (segid "   C" and resid   40 and name  HD#) (segid "   A" and resid   23 and name  HG#) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak   977 ! spec=13CA, no=977, id=2221, vol=4.050000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   43 and name  HG#)
assign (segid "   D" and resid   40 and name  HD#) (segid "   B" and resid   23 and name  HG#) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak   977 ! spec=13CA, no=977, id=2221, vol=4.050000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   43 and name  HG#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   29 and name  HG#) 2.810 2.810 3.190 weight 1.000 spectrum  1 peak   980 ! spec=13CA, no=980, id=2224, vol=7.250000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   29 and name  HG#) 2.810 2.810 3.190 weight 1.000 spectrum  1 peak   980 ! spec=13CA, no=980, id=2224, vol=7.250000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   29 and name  HG#) 2.810 2.810 3.190 weight 1.000 spectrum  1 peak   980 ! spec=13CA, no=980, id=2224, vol=7.250000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   29 and name  HG#) 2.810 2.810 3.190 weight 1.000 spectrum  1 peak   980 ! spec=13CA, no=980, id=2224, vol=7.250000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HG#) 2.163 0.585 0.585 weight 1.000 spectrum  1 peak   987 ! spec=13CA, no=987, id=2229, vol=3.480000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name  HB#)
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HG#) 2.163 0.585 0.585 weight 1.000 spectrum  1 peak   987 ! spec=13CA, no=987, id=2229, vol=3.480000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name  HB#)
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HG#) 2.163 0.585 0.585 weight 1.000 spectrum  1 peak   987 ! spec=13CA, no=987, id=2229, vol=3.480000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name  HB#)
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HG#) 2.163 0.585 0.585 weight 1.000 spectrum  1 peak   987 ! spec=13CA, no=987, id=2229, vol=3.480000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name  HB#)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   23 and name  HG#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak   992 ! spec=13CA, no=992, id=2232, vol=8.780000e+04
    or (segid "   A" and resid   22 and name  HG#) (segid "   C" and resid   43 and name  HG#)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   23 and name  HG#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak   992 ! spec=13CA, no=992, id=2232, vol=8.780000e+04
    or (segid "   B" and resid   22 and name  HG#) (segid "   D" and resid   43 and name  HG#)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   23 and name  HG#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak   992 ! spec=13CA, no=992, id=2232, vol=8.780000e+04
    or (segid "   C" and resid   22 and name  HG#) (segid "   A" and resid   43 and name  HG#)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   23 and name  HG#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak   992 ! spec=13CA, no=992, id=2232, vol=8.780000e+04
    or (segid "   D" and resid   22 and name  HG#) (segid "   B" and resid   43 and name  HG#)
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak   993 ! spec=13CA, no=993, id=2233, vol=1.510000e+05
    or (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   36 and name   HA)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   34 and name  HB#)
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   41 and name  HG#)
    or (segid "   A" and resid   36 and name   HA) (segid "   C" and resid   23 and name  HG#)
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak   993 ! spec=13CA, no=993, id=2233, vol=1.510000e+05
    or (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   36 and name   HA)
    or (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   36 and name   HA)
    or (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   34 and name  HB#)
    or (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   41 and name  HG#)
    or (segid "   B" and resid   36 and name   HA) (segid "   D" and resid   23 and name  HG#)
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak   993 ! spec=13CA, no=993, id=2233, vol=1.510000e+05
    or (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   36 and name   HA)
    or (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   36 and name   HA)
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   34 and name  HB#)
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   41 and name  HG#)
    or (segid "   C" and resid   36 and name   HA) (segid "   A" and resid   23 and name  HG#)
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak   993 ! spec=13CA, no=993, id=2233, vol=1.510000e+05
    or (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   36 and name   HA)
    or (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   36 and name   HA)
    or (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   34 and name  HB#)
    or (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   41 and name  HG#)
    or (segid "   D" and resid   36 and name   HA) (segid "   B" and resid   23 and name  HG#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   23 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  1 peak   995 ! spec=13CA, no=995, id=2235, vol=1.610000e+05
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   23 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  1 peak   995 ! spec=13CA, no=995, id=2235, vol=1.610000e+05
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   23 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  1 peak   995 ! spec=13CA, no=995, id=2235, vol=1.610000e+05
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   23 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  1 peak   995 ! spec=13CA, no=995, id=2235, vol=1.610000e+05
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   998 ! spec=13CA, no=998, id=2238, vol=2.930000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   40 and name   HA)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   44 and name  HG#)
    or (segid "   A" and resid   40 and name   HA) (segid "   C" and resid   23 and name  HG#)
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   41 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   998 ! spec=13CA, no=998, id=2238, vol=2.930000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   40 and name   HA)
    or (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   44 and name  HG#)
    or (segid "   B" and resid   40 and name   HA) (segid "   D" and resid   23 and name  HG#)
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   998 ! spec=13CA, no=998, id=2238, vol=2.930000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   40 and name   HA)
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   44 and name  HG#)
    or (segid "   C" and resid   40 and name   HA) (segid "   A" and resid   23 and name  HG#)
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   41 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   998 ! spec=13CA, no=998, id=2238, vol=2.930000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   40 and name   HA)
    or (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   44 and name  HG#)
    or (segid "   D" and resid   40 and name   HA) (segid "   B" and resid   23 and name  HG#)
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.811 0.988 0.988 weight 1.000 spectrum  1 peak  1002 ! spec=13CA, no=1002, id=2242, vol=7.230000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.811 0.988 0.988 weight 1.000 spectrum  1 peak  1002 ! spec=13CA, no=1002, id=2242, vol=7.230000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.811 0.988 0.988 weight 1.000 spectrum  1 peak  1002 ! spec=13CA, no=1002, id=2242, vol=7.230000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.811 0.988 0.988 weight 1.000 spectrum  1 peak  1002 ! spec=13CA, no=1002, id=2242, vol=7.230000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   42 and name  HG#) 2.840 2.840 3.160 weight 1.000 spectrum  1 peak  1005 ! spec=13CA, no=1005, id=2244, vol=6.790000e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HG#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   39 and name   HA)
assign (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   42 and name  HG#) 2.840 2.840 3.160 weight 1.000 spectrum  1 peak  1005 ! spec=13CA, no=1005, id=2244, vol=6.790000e+05
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name  HG#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   39 and name   HA)
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   42 and name  HG#) 2.840 2.840 3.160 weight 1.000 spectrum  1 peak  1005 ! spec=13CA, no=1005, id=2244, vol=6.790000e+05
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name  HG#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   39 and name   HA)
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   42 and name  HG#) 2.840 2.840 3.160 weight 1.000 spectrum  1 peak  1005 ! spec=13CA, no=1005, id=2244, vol=6.790000e+05
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name  HG#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   39 and name   HA)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   41 and name   HA) 2.408 2.408 3.592 weight 1.000 spectrum  1 peak  1006 ! spec=13CA, no=1006, id=2245, vol=1.830000e+06
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   41 and name   HA) 2.408 2.408 3.592 weight 1.000 spectrum  1 peak  1006 ! spec=13CA, no=1006, id=2245, vol=1.830000e+06
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   41 and name   HA) 2.408 2.408 3.592 weight 1.000 spectrum  1 peak  1006 ! spec=13CA, no=1006, id=2245, vol=1.830000e+06
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   41 and name   HA) 2.408 2.408 3.592 weight 1.000 spectrum  1 peak  1006 ! spec=13CA, no=1006, id=2245, vol=1.830000e+06
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   32 and name  HB#) 3.841 3.841 2.159 weight 1.000 spectrum  1 peak  1012 ! spec=13CA, no=1012, id=2251, vol=1.110000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   33 and name  HG#)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   32 and name  HB#) 3.841 3.841 2.159 weight 1.000 spectrum  1 peak  1012 ! spec=13CA, no=1012, id=2251, vol=1.110000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   33 and name  HG#)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   32 and name  HB#) 3.841 3.841 2.159 weight 1.000 spectrum  1 peak  1012 ! spec=13CA, no=1012, id=2251, vol=1.110000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   33 and name  HG#)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   32 and name  HB#) 3.841 3.841 2.159 weight 1.000 spectrum  1 peak  1012 ! spec=13CA, no=1012, id=2251, vol=1.110000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   33 and name  HG#)
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name  HG#) 2.264 0.641 0.641 weight 1.000 spectrum  1 peak  1019 ! spec=13CA, no=1019, id=2255, vol=2.650000e+06
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HB#)
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name  HG#) 2.264 0.641 0.641 weight 1.000 spectrum  1 peak  1019 ! spec=13CA, no=1019, id=2255, vol=2.650000e+06
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HB#)
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name  HG#) 2.264 0.641 0.641 weight 1.000 spectrum  1 peak  1019 ! spec=13CA, no=1019, id=2255, vol=2.650000e+06
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HB#)
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name  HG#) 2.264 0.641 0.641 weight 1.000 spectrum  1 peak  1019 ! spec=13CA, no=1019, id=2255, vol=2.650000e+06
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HB#)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   16 and name  HG#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak  1040 ! spec=13CA, no=1040, id=2269, vol=4.090000e+05
    or (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   16 and name  HG#)
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   16 and name  HG#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak  1040 ! spec=13CA, no=1040, id=2269, vol=4.090000e+05
    or (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   16 and name  HG#)
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   16 and name  HG#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak  1040 ! spec=13CA, no=1040, id=2269, vol=4.090000e+05
    or (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   16 and name  HG#)
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   16 and name  HG#) 3.091 3.091 2.909 weight 1.000 spectrum  1 peak  1040 ! spec=13CA, no=1040, id=2269, vol=4.090000e+05
    or (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   16 and name  HG#)
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    2 and name   HA) 2.799 2.799 3.201 weight 1.000 spectrum  1 peak  1045 ! spec=13CA, no=1045, id=2273, vol=7.420000e+05
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   15 and name  HB#)
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    5 and name   HA)
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    2 and name   HA) 2.799 2.799 3.201 weight 1.000 spectrum  1 peak  1045 ! spec=13CA, no=1045, id=2273, vol=7.420000e+05
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    2 and name   HA)
    or (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   15 and name  HB#)
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    5 and name   HA)
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    2 and name   HA) 2.799 2.799 3.201 weight 1.000 spectrum  1 peak  1045 ! spec=13CA, no=1045, id=2273, vol=7.420000e+05
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    2 and name   HA)
    or (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   15 and name  HB#)
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    5 and name   HA)
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    2 and name   HA) 2.799 2.799 3.201 weight 1.000 spectrum  1 peak  1045 ! spec=13CA, no=1045, id=2273, vol=7.420000e+05
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    2 and name   HA)
    or (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   15 and name  HB#)
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    5 and name   HA)
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.488 1.521 1.521 weight 1.000 spectrum  1 peak  1049 ! spec=13CA, no=1049, id=2276, vol=1.980000e+05
    or (segid "   A" and resid   11 and name  HA#) (segid "   B" and resid    3 and name  HB#)
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.488 1.521 1.521 weight 1.000 spectrum  1 peak  1049 ! spec=13CA, no=1049, id=2276, vol=1.980000e+05
    or (segid "   B" and resid   11 and name  HA#) (segid "   A" and resid    3 and name  HB#)
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.488 1.521 1.521 weight 1.000 spectrum  1 peak  1049 ! spec=13CA, no=1049, id=2276, vol=1.980000e+05
    or (segid "   C" and resid   11 and name  HA#) (segid "   D" and resid    3 and name  HB#)
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.488 1.521 1.521 weight 1.000 spectrum  1 peak  1049 ! spec=13CA, no=1049, id=2276, vol=1.980000e+05
    or (segid "   D" and resid   11 and name  HA#) (segid "   C" and resid    3 and name  HB#)
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid    8 and name  HG#) 3.083 3.083 2.917 weight 1.000 spectrum  1 peak  1059 ! spec=13CA, no=1059, id=2284, vol=4.150000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    3 and name  HB#)
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid    8 and name  HG#) 3.083 3.083 2.917 weight 1.000 spectrum  1 peak  1059 ! spec=13CA, no=1059, id=2284, vol=4.150000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    3 and name  HB#)
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid    8 and name  HG#) 3.083 3.083 2.917 weight 1.000 spectrum  1 peak  1059 ! spec=13CA, no=1059, id=2284, vol=4.150000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    3 and name  HB#)
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid    8 and name  HG#) 3.083 3.083 2.917 weight 1.000 spectrum  1 peak  1059 ! spec=13CA, no=1059, id=2284, vol=4.150000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    3 and name  HB#)
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   34 and name   HA) 2.401 0.721 0.721 weight 1.000 spectrum  1 peak  1068 ! spec=13CA, no=1068, id=2291, vol=1.860000e+06
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   37 and name  HB#)
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   34 and name   HA) 2.401 0.721 0.721 weight 1.000 spectrum  1 peak  1068 ! spec=13CA, no=1068, id=2291, vol=1.860000e+06
    or (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   37 and name  HB#)
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   34 and name   HA) 2.401 0.721 0.721 weight 1.000 spectrum  1 peak  1068 ! spec=13CA, no=1068, id=2291, vol=1.860000e+06
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   37 and name  HB#)
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   34 and name   HA) 2.401 0.721 0.721 weight 1.000 spectrum  1 peak  1068 ! spec=13CA, no=1068, id=2291, vol=1.860000e+06
    or (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   37 and name  HB#)
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   37 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1071 ! spec=13CA, no=1071, id=2294, vol=2.180000e+05
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   37 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1071 ! spec=13CA, no=1071, id=2294, vol=2.180000e+05
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   37 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1071 ! spec=13CA, no=1071, id=2294, vol=2.180000e+05
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   37 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1071 ! spec=13CA, no=1071, id=2294, vol=2.180000e+05
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   37 and name  HB#) 3.457 1.494 1.494 weight 1.000 spectrum  1 peak  1072 ! spec=13CA, no=1072, id=2295, vol=2.090000e+05
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   37 and name  HB#) 3.457 1.494 1.494 weight 1.000 spectrum  1 peak  1072 ! spec=13CA, no=1072, id=2295, vol=2.090000e+05
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   37 and name  HB#) 3.457 1.494 1.494 weight 1.000 spectrum  1 peak  1072 ! spec=13CA, no=1072, id=2295, vol=2.090000e+05
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   37 and name  HB#) 3.457 1.494 1.494 weight 1.000 spectrum  1 peak  1072 ! spec=13CA, no=1072, id=2295, vol=2.090000e+05
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   37 and name  HB#) 3.298 1.360 1.360 weight 1.000 spectrum  1 peak  1075 ! spec=13CA, no=1075, id=2297, vol=2.770000e+05
assign (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   37 and name  HB#) 3.298 1.360 1.360 weight 1.000 spectrum  1 peak  1075 ! spec=13CA, no=1075, id=2297, vol=2.770000e+05
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   37 and name  HB#) 3.298 1.360 1.360 weight 1.000 spectrum  1 peak  1075 ! spec=13CA, no=1075, id=2297, vol=2.770000e+05
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   37 and name  HB#) 3.298 1.360 1.360 weight 1.000 spectrum  1 peak  1075 ! spec=13CA, no=1075, id=2297, vol=2.770000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   25 and name   HA) 2.980 2.980 3.020 weight 1.000 spectrum  1 peak  1077 ! spec=13CA, no=1077, id=2299, vol=5.090000e+05
    or (segid "   A" and resid   25 and name   HA) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   25 and name   HA) 2.980 2.980 3.020 weight 1.000 spectrum  1 peak  1077 ! spec=13CA, no=1077, id=2299, vol=5.090000e+05
    or (segid "   B" and resid   25 and name   HA) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   25 and name   HA) 2.980 2.980 3.020 weight 1.000 spectrum  1 peak  1077 ! spec=13CA, no=1077, id=2299, vol=5.090000e+05
    or (segid "   C" and resid   25 and name   HA) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   25 and name   HA) 2.980 2.980 3.020 weight 1.000 spectrum  1 peak  1077 ! spec=13CA, no=1077, id=2299, vol=5.090000e+05
    or (segid "   D" and resid   25 and name   HA) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   37 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  1 peak  1078 ! spec=13CA, no=1078, id=2300, vol=3.590000e+06
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   37 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  1 peak  1078 ! spec=13CA, no=1078, id=2300, vol=3.590000e+06
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   37 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  1 peak  1078 ! spec=13CA, no=1078, id=2300, vol=3.590000e+06
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   37 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  1 peak  1078 ! spec=13CA, no=1078, id=2300, vol=3.590000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   27 and name   HA) 4.008 2.008 2.008 weight 1.000 spectrum  1 peak  1079 ! spec=13CA, no=1079, id=2301, vol=8.600000e+04
    or (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   27 and name   HA) 4.008 2.008 2.008 weight 1.000 spectrum  1 peak  1079 ! spec=13CA, no=1079, id=2301, vol=8.600000e+04
    or (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   27 and name   HA) 4.008 2.008 2.008 weight 1.000 spectrum  1 peak  1079 ! spec=13CA, no=1079, id=2301, vol=8.600000e+04
    or (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   27 and name   HA) 4.008 2.008 2.008 weight 1.000 spectrum  1 peak  1079 ! spec=13CA, no=1079, id=2301, vol=8.600000e+04
    or (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    1 and name  HB#) 2.990 2.990 3.010 weight 1.000 spectrum  1 peak  1096 ! spec=13CA, no=1096, id=2313, vol=4.990000e+05
    or (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    2 and name   HA) (segid "   B" and resid    1 and name  HB#) 2.990 2.990 3.010 weight 1.000 spectrum  1 peak  1096 ! spec=13CA, no=1096, id=2313, vol=4.990000e+05
    or (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    2 and name   HA) (segid "   C" and resid    1 and name  HB#) 2.990 2.990 3.010 weight 1.000 spectrum  1 peak  1096 ! spec=13CA, no=1096, id=2313, vol=4.990000e+05
    or (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    2 and name   HA) (segid "   D" and resid    1 and name  HB#) 2.990 2.990 3.010 weight 1.000 spectrum  1 peak  1096 ! spec=13CA, no=1096, id=2313, vol=4.990000e+05
    or (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid   10 and name  HD#) (segid "   A" and resid   15 and name  HB#) 2.845 2.845 3.155 weight 1.000 spectrum  1 peak  1105 ! spec=13CA, no=1105, id=2321, vol=6.720000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    6 and name  HB#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    6 and name  HB#)
    or (segid "   A" and resid   40 and name  HD#) (segid "   C" and resid   20 and name  HE#)
assign (segid "   B" and resid   10 and name  HD#) (segid "   B" and resid   15 and name  HB#) 2.845 2.845 3.155 weight 1.000 spectrum  1 peak  1105 ! spec=13CA, no=1105, id=2321, vol=6.720000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    6 and name  HB#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    6 and name  HB#)
    or (segid "   B" and resid   40 and name  HD#) (segid "   D" and resid   20 and name  HE#)
assign (segid "   C" and resid   10 and name  HD#) (segid "   C" and resid   15 and name  HB#) 2.845 2.845 3.155 weight 1.000 spectrum  1 peak  1105 ! spec=13CA, no=1105, id=2321, vol=6.720000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    6 and name  HB#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    6 and name  HB#)
    or (segid "   C" and resid   40 and name  HD#) (segid "   A" and resid   20 and name  HE#)
assign (segid "   D" and resid   10 and name  HD#) (segid "   D" and resid   15 and name  HB#) 2.845 2.845 3.155 weight 1.000 spectrum  1 peak  1105 ! spec=13CA, no=1105, id=2321, vol=6.720000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    6 and name  HB#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    6 and name  HB#)
    or (segid "   D" and resid   40 and name  HD#) (segid "   B" and resid   20 and name  HE#)
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    1 and name  HB#) 3.435 3.435 2.565 weight 1.000 spectrum  1 peak  1109 ! spec=13CA, no=1109, id=2324, vol=2.170000e+05
    or (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    1 and name  HB#) 3.435 3.435 2.565 weight 1.000 spectrum  1 peak  1109 ! spec=13CA, no=1109, id=2324, vol=2.170000e+05
    or (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    1 and name  HB#) 3.435 3.435 2.565 weight 1.000 spectrum  1 peak  1109 ! spec=13CA, no=1109, id=2324, vol=2.170000e+05
    or (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    1 and name  HB#) 3.435 3.435 2.565 weight 1.000 spectrum  1 peak  1109 ! spec=13CA, no=1109, id=2324, vol=2.170000e+05
    or (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid   25 and name   HA) (segid "   C" and resid   20 and name  HE#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1117 ! spec=13CA, no=1117, id=2331, vol=1.230000e+05
assign (segid "   B" and resid   25 and name   HA) (segid "   D" and resid   20 and name  HE#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1117 ! spec=13CA, no=1117, id=2331, vol=1.230000e+05
assign (segid "   C" and resid   25 and name   HA) (segid "   A" and resid   20 and name  HE#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1117 ! spec=13CA, no=1117, id=2331, vol=1.230000e+05
assign (segid "   D" and resid   25 and name   HA) (segid "   B" and resid   20 and name  HE#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1117 ! spec=13CA, no=1117, id=2331, vol=1.230000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak  1120 ! spec=13CA, no=1120, id=2334, vol=3.130000e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#)
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak  1120 ! spec=13CA, no=1120, id=2334, vol=3.130000e+05
    or (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#)
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak  1120 ! spec=13CA, no=1120, id=2334, vol=3.130000e+05
    or (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#)
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak  1120 ! spec=13CA, no=1120, id=2334, vol=3.130000e+05
    or (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#)
assign (segid "   A" and resid   17 and name   HB) (segid "   D" and resid   20 and name  HE#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak  1128 ! spec=13CA, no=1128, id=2337, vol=1.530000e+05
assign (segid "   B" and resid   17 and name   HB) (segid "   C" and resid   20 and name  HE#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak  1128 ! spec=13CA, no=1128, id=2337, vol=1.530000e+05
assign (segid "   C" and resid   17 and name   HB) (segid "   B" and resid   20 and name  HE#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak  1128 ! spec=13CA, no=1128, id=2337, vol=1.530000e+05
assign (segid "   D" and resid   17 and name   HB) (segid "   A" and resid   20 and name  HE#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak  1128 ! spec=13CA, no=1128, id=2337, vol=1.530000e+05
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   23 and name  HG#) 3.610 3.610 2.390 weight 1.000 spectrum  1 peak  1129 ! spec=13CA, no=1129, id=2338, vol=1.610000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   26 and name  HG#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   23 and name  HG#) 3.610 3.610 2.390 weight 1.000 spectrum  1 peak  1129 ! spec=13CA, no=1129, id=2338, vol=1.610000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   26 and name  HG#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   23 and name  HG#) 3.610 3.610 2.390 weight 1.000 spectrum  1 peak  1129 ! spec=13CA, no=1129, id=2338, vol=1.610000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   26 and name  HG#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   23 and name  HG#) 3.610 3.610 2.390 weight 1.000 spectrum  1 peak  1129 ! spec=13CA, no=1129, id=2338, vol=1.610000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   26 and name  HG#)
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   26 and name  HG#) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak  1130 ! spec=13CA, no=1130, id=2339, vol=6.110000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   26 and name  HG#) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak  1130 ! spec=13CA, no=1130, id=2339, vol=6.110000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   26 and name  HG#) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak  1130 ! spec=13CA, no=1130, id=2339, vol=6.110000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   26 and name  HG#) 2.891 2.891 3.109 weight 1.000 spectrum  1 peak  1130 ! spec=13CA, no=1130, id=2339, vol=6.110000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HE#) 3.333 1.389 1.389 weight 1.000 spectrum  1 peak  1131 ! spec=13CA, no=1131, id=2340, vol=2.600000e+05
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HE#) 3.333 1.389 1.389 weight 1.000 spectrum  1 peak  1131 ! spec=13CA, no=1131, id=2340, vol=2.600000e+05
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HE#) 3.333 1.389 1.389 weight 1.000 spectrum  1 peak  1131 ! spec=13CA, no=1131, id=2340, vol=2.600000e+05
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HE#) 3.333 1.389 1.389 weight 1.000 spectrum  1 peak  1131 ! spec=13CA, no=1131, id=2340, vol=2.600000e+05
assign (segid "   A" and resid   48 and name  HB#) (segid "   D" and resid    6 and name  HB#) 3.288 1.352 1.352 weight 1.000 spectrum  1 peak  1132 ! spec=13CA, no=1132, id=2341, vol=2.820000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HG#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   C" and resid    6 and name  HB#) 3.288 1.352 1.352 weight 1.000 spectrum  1 peak  1132 ! spec=13CA, no=1132, id=2341, vol=2.820000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HG#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   B" and resid    6 and name  HB#) 3.288 1.352 1.352 weight 1.000 spectrum  1 peak  1132 ! spec=13CA, no=1132, id=2341, vol=2.820000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HG#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   A" and resid    6 and name  HB#) 3.288 1.352 1.352 weight 1.000 spectrum  1 peak  1132 ! spec=13CA, no=1132, id=2341, vol=2.820000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HG#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HE#) 3.599 1.619 1.619 weight 1.000 spectrum  1 peak  1136 ! spec=13CA, no=1136, id=2345, vol=1.640000e+05
assign (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HE#) 3.599 1.619 1.619 weight 1.000 spectrum  1 peak  1136 ! spec=13CA, no=1136, id=2345, vol=1.640000e+05
assign (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HE#) 3.599 1.619 1.619 weight 1.000 spectrum  1 peak  1136 ! spec=13CA, no=1136, id=2345, vol=1.640000e+05
assign (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HE#) 3.599 1.619 1.619 weight 1.000 spectrum  1 peak  1136 ! spec=13CA, no=1136, id=2345, vol=1.640000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   D" and resid   20 and name  HE#) 3.180 3.180 2.820 weight 1.000 spectrum  1 peak  1145 ! spec=13CA, no=1145, id=2352, vol=3.450000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   26 and name  HG#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   C" and resid   20 and name  HE#) 3.180 3.180 2.820 weight 1.000 spectrum  1 peak  1145 ! spec=13CA, no=1145, id=2352, vol=3.450000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   26 and name  HG#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   B" and resid   20 and name  HE#) 3.180 3.180 2.820 weight 1.000 spectrum  1 peak  1145 ! spec=13CA, no=1145, id=2352, vol=3.450000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   26 and name  HG#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   A" and resid   20 and name  HE#) 3.180 3.180 2.820 weight 1.000 spectrum  1 peak  1145 ! spec=13CA, no=1145, id=2352, vol=3.450000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   26 and name  HG#)
assign (segid "   A" and resid   48 and name  HB#) (segid "   D" and resid    6 and name  HB#) 3.551 1.576 1.576 weight 1.000 spectrum  1 peak  1149 ! spec=13CA, no=1149, id=2354, vol=1.780000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HG#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   C" and resid    6 and name  HB#) 3.551 1.576 1.576 weight 1.000 spectrum  1 peak  1149 ! spec=13CA, no=1149, id=2354, vol=1.780000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HG#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   B" and resid    6 and name  HB#) 3.551 1.576 1.576 weight 1.000 spectrum  1 peak  1149 ! spec=13CA, no=1149, id=2354, vol=1.780000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HG#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   A" and resid    6 and name  HB#) 3.551 1.576 1.576 weight 1.000 spectrum  1 peak  1149 ! spec=13CA, no=1149, id=2354, vol=1.780000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HG#)
assign (segid "   A" and resid   13 and name   HA) (segid "   D" and resid   20 and name  HE#) 3.314 3.314 2.686 weight 1.000 spectrum  1 peak  1152 ! spec=13CA, no=1152, id=2356, vol=2.690000e+05
assign (segid "   B" and resid   13 and name   HA) (segid "   C" and resid   20 and name  HE#) 3.314 3.314 2.686 weight 1.000 spectrum  1 peak  1152 ! spec=13CA, no=1152, id=2356, vol=2.690000e+05
assign (segid "   C" and resid   13 and name   HA) (segid "   B" and resid   20 and name  HE#) 3.314 3.314 2.686 weight 1.000 spectrum  1 peak  1152 ! spec=13CA, no=1152, id=2356, vol=2.690000e+05
assign (segid "   D" and resid   13 and name   HA) (segid "   A" and resid   20 and name  HE#) 3.314 3.314 2.686 weight 1.000 spectrum  1 peak  1152 ! spec=13CA, no=1152, id=2356, vol=2.690000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name  HB#) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1156 ! spec=13CA, no=1156, id=2360, vol=9.010000e+04
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name  HB#) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1156 ! spec=13CA, no=1156, id=2360, vol=9.010000e+04
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name  HB#) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1156 ! spec=13CA, no=1156, id=2360, vol=9.010000e+04
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name  HB#) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1156 ! spec=13CA, no=1156, id=2360, vol=9.010000e+04
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name  HB#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak  1157 ! spec=13CA, no=1157, id=2361, vol=8.780000e+04
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name  HB#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak  1157 ! spec=13CA, no=1157, id=2361, vol=8.780000e+04
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name  HB#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak  1157 ! spec=13CA, no=1157, id=2361, vol=8.780000e+04
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name  HB#) 3.994 1.994 1.994 weight 1.000 spectrum  1 peak  1157 ! spec=13CA, no=1157, id=2361, vol=8.780000e+04
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    6 and name  HB#) 3.143 1.235 1.235 weight 1.000 spectrum  1 peak  1161 ! spec=13CA, no=1161, id=2363, vol=3.700000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    6 and name  HB#) 3.143 1.235 1.235 weight 1.000 spectrum  1 peak  1161 ! spec=13CA, no=1161, id=2363, vol=3.700000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    6 and name  HB#) 3.143 1.235 1.235 weight 1.000 spectrum  1 peak  1161 ! spec=13CA, no=1161, id=2363, vol=3.700000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    6 and name  HB#) 3.143 1.235 1.235 weight 1.000 spectrum  1 peak  1161 ! spec=13CA, no=1161, id=2363, vol=3.700000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.071 1.179 1.179 weight 1.000 spectrum  1 peak  1167 ! spec=13CA, no=1167, id=2369, vol=4.250000e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.071 1.179 1.179 weight 1.000 spectrum  1 peak  1167 ! spec=13CA, no=1167, id=2369, vol=4.250000e+05
    or (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.071 1.179 1.179 weight 1.000 spectrum  1 peak  1167 ! spec=13CA, no=1167, id=2369, vol=4.250000e+05
    or (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.071 1.179 1.179 weight 1.000 spectrum  1 peak  1167 ! spec=13CA, no=1167, id=2369, vol=4.250000e+05
    or (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid   44 and name   HA) (segid "   C" and resid   22 and name  HE#) 2.412 2.412 3.588 weight 1.000 spectrum  1 peak  1186 ! spec=13CA, no=1186, id=2381, vol=1.810000e+06
    or (segid "   A" and resid   48 and name   HA) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   44 and name   HA) (segid "   D" and resid   22 and name  HE#) 2.412 2.412 3.588 weight 1.000 spectrum  1 peak  1186 ! spec=13CA, no=1186, id=2381, vol=1.810000e+06
    or (segid "   B" and resid   48 and name   HA) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   44 and name   HA) (segid "   A" and resid   22 and name  HE#) 2.412 2.412 3.588 weight 1.000 spectrum  1 peak  1186 ! spec=13CA, no=1186, id=2381, vol=1.810000e+06
    or (segid "   C" and resid   48 and name   HA) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   44 and name   HA) (segid "   B" and resid   22 and name  HE#) 2.412 2.412 3.588 weight 1.000 spectrum  1 peak  1186 ! spec=13CA, no=1186, id=2381, vol=1.810000e+06
    or (segid "   D" and resid   48 and name   HA) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid   22 and name  HE#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  1188 ! spec=13CA, no=1188, id=2383, vol=9.850000e+04
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid   22 and name  HE#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  1188 ! spec=13CA, no=1188, id=2383, vol=9.850000e+04
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid   22 and name  HE#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  1188 ! spec=13CA, no=1188, id=2383, vol=9.850000e+04
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid   22 and name  HE#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  1188 ! spec=13CA, no=1188, id=2383, vol=9.850000e+04
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   22 and name  HE#) 3.329 1.385 1.385 weight 1.000 spectrum  1 peak  1193 ! spec=13CA, no=1193, id=2387, vol=2.620000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   22 and name  HE#) 3.329 1.385 1.385 weight 1.000 spectrum  1 peak  1193 ! spec=13CA, no=1193, id=2387, vol=2.620000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   22 and name  HE#) 3.329 1.385 1.385 weight 1.000 spectrum  1 peak  1193 ! spec=13CA, no=1193, id=2387, vol=2.620000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   22 and name  HE#) 3.329 1.385 1.385 weight 1.000 spectrum  1 peak  1193 ! spec=13CA, no=1193, id=2387, vol=2.620000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   19 and name  HB#) 2.872 2.872 3.128 weight 1.000 spectrum  1 peak  1197 ! spec=13CA, no=1197, id=2391, vol=6.360000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   48 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   19 and name  HB#) 2.872 2.872 3.128 weight 1.000 spectrum  1 peak  1197 ! spec=13CA, no=1197, id=2391, vol=6.360000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   48 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   19 and name  HB#) 2.872 2.872 3.128 weight 1.000 spectrum  1 peak  1197 ! spec=13CA, no=1197, id=2391, vol=6.360000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   48 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   19 and name  HB#) 2.872 2.872 3.128 weight 1.000 spectrum  1 peak  1197 ! spec=13CA, no=1197, id=2391, vol=6.360000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   48 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   19 and name  HB#) 3.592 3.592 2.408 weight 1.000 spectrum  1 peak  1198 ! spec=13CA, no=1198, id=2392, vol=1.660000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   19 and name  HB#) 3.592 3.592 2.408 weight 1.000 spectrum  1 peak  1198 ! spec=13CA, no=1198, id=2392, vol=1.660000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   19 and name  HB#) 3.592 3.592 2.408 weight 1.000 spectrum  1 peak  1198 ! spec=13CA, no=1198, id=2392, vol=1.660000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   19 and name  HB#) 3.592 3.592 2.408 weight 1.000 spectrum  1 peak  1198 ! spec=13CA, no=1198, id=2392, vol=1.660000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   39 and name  HB#) 3.771 1.778 1.778 weight 1.000 spectrum  1 peak  1201 ! spec=13CA, no=1201, id=2394, vol=1.240000e+05
    or (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   40 and name  HD#)
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   39 and name  HB#) 3.771 1.778 1.778 weight 1.000 spectrum  1 peak  1201 ! spec=13CA, no=1201, id=2394, vol=1.240000e+05
    or (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   40 and name  HD#)
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   39 and name  HB#) 3.771 1.778 1.778 weight 1.000 spectrum  1 peak  1201 ! spec=13CA, no=1201, id=2394, vol=1.240000e+05
    or (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   40 and name  HD#)
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   39 and name  HB#) 3.771 1.778 1.778 weight 1.000 spectrum  1 peak  1201 ! spec=13CA, no=1201, id=2394, vol=1.240000e+05
    or (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   40 and name  HD#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   39 and name  HB#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak  1204 ! spec=13CA, no=1204, id=2397, vol=2.410000e+05
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HB#)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   39 and name  HB#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak  1204 ! spec=13CA, no=1204, id=2397, vol=2.410000e+05
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HB#)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   39 and name  HB#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak  1204 ! spec=13CA, no=1204, id=2397, vol=2.410000e+05
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HB#)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   39 and name  HB#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak  1204 ! spec=13CA, no=1204, id=2397, vol=2.410000e+05
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HE#) 3.766 1.773 1.773 weight 1.000 spectrum  1 peak  1214 ! spec=13CA, no=1214, id=2406, vol=1.250000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   39 and name  HB#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HE#) 3.766 1.773 1.773 weight 1.000 spectrum  1 peak  1214 ! spec=13CA, no=1214, id=2406, vol=1.250000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   39 and name  HB#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HE#) 3.766 1.773 1.773 weight 1.000 spectrum  1 peak  1214 ! spec=13CA, no=1214, id=2406, vol=1.250000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   39 and name  HB#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HE#) 3.766 1.773 1.773 weight 1.000 spectrum  1 peak  1214 ! spec=13CA, no=1214, id=2406, vol=1.250000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   39 and name  HB#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name  HB#) 3.183 3.183 2.817 weight 1.000 spectrum  1 peak  1219 ! spec=13CA, no=1219, id=2410, vol=3.430000e+05
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name  HB#) 3.183 3.183 2.817 weight 1.000 spectrum  1 peak  1219 ! spec=13CA, no=1219, id=2410, vol=3.430000e+05
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name  HB#) 3.183 3.183 2.817 weight 1.000 spectrum  1 peak  1219 ! spec=13CA, no=1219, id=2410, vol=3.430000e+05
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name  HB#) 3.183 3.183 2.817 weight 1.000 spectrum  1 peak  1219 ! spec=13CA, no=1219, id=2410, vol=3.430000e+05
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.357 3.357 2.643 weight 1.000 spectrum  1 peak  1236 ! spec=13CA, no=1236, id=2422, vol=2.490000e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   39 and name  HB#)
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.357 3.357 2.643 weight 1.000 spectrum  1 peak  1236 ! spec=13CA, no=1236, id=2422, vol=2.490000e+05
    or (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   39 and name  HB#)
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.357 3.357 2.643 weight 1.000 spectrum  1 peak  1236 ! spec=13CA, no=1236, id=2422, vol=2.490000e+05
    or (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   39 and name  HB#)
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.357 3.357 2.643 weight 1.000 spectrum  1 peak  1236 ! spec=13CA, no=1236, id=2422, vol=2.490000e+05
    or (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   39 and name  HB#)
assign (segid "   A" and resid   10 and name  HD#) (segid "   A" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak  1246 ! spec=13CA, no=1246, id=2427, vol=1.110000e+05
    or (segid "   A" and resid    9 and name   HB) (segid "   B" and resid   22 and name  HE#)
assign (segid "   B" and resid   10 and name  HD#) (segid "   B" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak  1246 ! spec=13CA, no=1246, id=2427, vol=1.110000e+05
    or (segid "   B" and resid    9 and name   HB) (segid "   A" and resid   22 and name  HE#)
assign (segid "   C" and resid   10 and name  HD#) (segid "   C" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak  1246 ! spec=13CA, no=1246, id=2427, vol=1.110000e+05
    or (segid "   C" and resid    9 and name   HB) (segid "   D" and resid   22 and name  HE#)
assign (segid "   D" and resid   10 and name  HD#) (segid "   D" and resid    9 and name   HB) 3.841 1.844 1.844 weight 1.000 spectrum  1 peak  1246 ! spec=13CA, no=1246, id=2427, vol=1.110000e+05
    or (segid "   D" and resid    9 and name   HB) (segid "   C" and resid   22 and name  HE#)
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   10 and name  HD#) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1251 ! spec=13CA, no=1251, id=2431, vol=2.450000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   40 and name  HD#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   10 and name  HD#) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1251 ! spec=13CA, no=1251, id=2431, vol=2.450000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   40 and name  HD#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   10 and name  HD#) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1251 ! spec=13CA, no=1251, id=2431, vol=2.450000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   40 and name  HD#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   10 and name  HD#) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1251 ! spec=13CA, no=1251, id=2431, vol=2.450000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   40 and name  HD#)
assign (segid "   A" and resid   20 and name   HA) (segid "   C" and resid   40 and name  HD#) 3.614 1.633 1.633 weight 1.000 spectrum  1 peak  1259 ! spec=13CA, no=1259, id=2439, vol=1.600000e+05
    or (segid "   A" and resid   26 and name   HA) (segid "   B" and resid   10 and name  HD#)
assign (segid "   B" and resid   20 and name   HA) (segid "   D" and resid   40 and name  HD#) 3.614 1.633 1.633 weight 1.000 spectrum  1 peak  1259 ! spec=13CA, no=1259, id=2439, vol=1.600000e+05
    or (segid "   B" and resid   26 and name   HA) (segid "   A" and resid   10 and name  HD#)
assign (segid "   C" and resid   20 and name   HA) (segid "   A" and resid   40 and name  HD#) 3.614 1.633 1.633 weight 1.000 spectrum  1 peak  1259 ! spec=13CA, no=1259, id=2439, vol=1.600000e+05
    or (segid "   C" and resid   26 and name   HA) (segid "   D" and resid   10 and name  HD#)
assign (segid "   D" and resid   20 and name   HA) (segid "   B" and resid   40 and name  HD#) 3.614 1.633 1.633 weight 1.000 spectrum  1 peak  1259 ! spec=13CA, no=1259, id=2439, vol=1.600000e+05
    or (segid "   D" and resid   26 and name   HA) (segid "   C" and resid   10 and name  HD#)
assign (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   10 and name  HD#) 2.629 2.629 3.654 weight 1.000 spectrum  1 peak  1260 ! spec=13CA, no=1260, id=2440, vol=1.080000e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid   22 and name  HE#)
    or (segid "   A" and resid    5 and name   HA) (segid "   B" and resid   10 and name  HD#)
    or (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   22 and name  HE#)
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   10 and name  HD#) 2.629 2.629 3.654 weight 1.000 spectrum  1 peak  1260 ! spec=13CA, no=1260, id=2440, vol=1.080000e+06
    or (segid "   B" and resid    5 and name   HA) (segid "   B" and resid   22 and name  HE#)
    or (segid "   B" and resid    5 and name   HA) (segid "   A" and resid   10 and name  HD#)
    or (segid "   B" and resid   21 and name   HA) (segid "   B" and resid   22 and name  HE#)
assign (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   10 and name  HD#) 2.629 2.629 3.654 weight 1.000 spectrum  1 peak  1260 ! spec=13CA, no=1260, id=2440, vol=1.080000e+06
    or (segid "   C" and resid    5 and name   HA) (segid "   C" and resid   22 and name  HE#)
    or (segid "   C" and resid    5 and name   HA) (segid "   D" and resid   10 and name  HD#)
    or (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   22 and name  HE#)
assign (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   10 and name  HD#) 2.629 2.629 3.654 weight 1.000 spectrum  1 peak  1260 ! spec=13CA, no=1260, id=2440, vol=1.080000e+06
    or (segid "   D" and resid    5 and name   HA) (segid "   D" and resid   22 and name  HE#)
    or (segid "   D" and resid    5 and name   HA) (segid "   C" and resid   10 and name  HD#)
    or (segid "   D" and resid   21 and name   HA) (segid "   D" and resid   22 and name  HE#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    7 and name  HB#) 3.637 1.654 1.654 weight 1.000 spectrum  1 peak  1265 ! spec=13CA, no=1265, id=2445, vol=1.540000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    7 and name  HB#) 3.637 1.654 1.654 weight 1.000 spectrum  1 peak  1265 ! spec=13CA, no=1265, id=2445, vol=1.540000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    7 and name  HB#) 3.637 1.654 1.654 weight 1.000 spectrum  1 peak  1265 ! spec=13CA, no=1265, id=2445, vol=1.540000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    7 and name  HB#) 3.637 1.654 1.654 weight 1.000 spectrum  1 peak  1265 ! spec=13CA, no=1265, id=2445, vol=1.540000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   45 and name  HB#) 4.002 2.002 3.162 weight 1.000 spectrum  1 peak  1271 ! spec=13CA, no=1271, id=2448, vol=8.680000e+04
    or (segid "   A" and resid   46 and name  HB#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   45 and name  HB#) 4.002 2.002 3.162 weight 1.000 spectrum  1 peak  1271 ! spec=13CA, no=1271, id=2448, vol=8.680000e+04
    or (segid "   B" and resid   46 and name  HB#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   45 and name  HB#) 4.002 2.002 3.162 weight 1.000 spectrum  1 peak  1271 ! spec=13CA, no=1271, id=2448, vol=8.680000e+04
    or (segid "   C" and resid   46 and name  HB#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   45 and name  HB#) 4.002 2.002 3.162 weight 1.000 spectrum  1 peak  1271 ! spec=13CA, no=1271, id=2448, vol=8.680000e+04
    or (segid "   D" and resid   46 and name  HB#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   22 and name  HE#) 4.034 2.035 2.035 weight 1.000 spectrum  1 peak  1274 ! spec=13CA, no=1274, id=2451, vol=8.270000e+04
    or (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HD#)
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   22 and name  HE#) 4.034 2.035 2.035 weight 1.000 spectrum  1 peak  1274 ! spec=13CA, no=1274, id=2451, vol=8.270000e+04
    or (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HD#)
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   22 and name  HE#) 4.034 2.035 2.035 weight 1.000 spectrum  1 peak  1274 ! spec=13CA, no=1274, id=2451, vol=8.270000e+04
    or (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HD#)
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   22 and name  HE#) 4.034 2.035 2.035 weight 1.000 spectrum  1 peak  1274 ! spec=13CA, no=1274, id=2451, vol=8.270000e+04
    or (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HD#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   22 and name  HE#) 3.208 1.287 1.287 weight 1.000 spectrum  1 peak  1275 ! spec=13CA, no=1275, id=2452, vol=3.270000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   22 and name  HE#) 3.208 1.287 1.287 weight 1.000 spectrum  1 peak  1275 ! spec=13CA, no=1275, id=2452, vol=3.270000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   22 and name  HE#) 3.208 1.287 1.287 weight 1.000 spectrum  1 peak  1275 ! spec=13CA, no=1275, id=2452, vol=3.270000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   22 and name  HE#) 3.208 1.287 1.287 weight 1.000 spectrum  1 peak  1275 ! spec=13CA, no=1275, id=2452, vol=3.270000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   42 and name  HB#) 3.371 3.371 2.629 weight 1.000 spectrum  1 peak  1300 ! spec=13CA, no=1300, id=2470, vol=2.430000e+05
    or (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   42 and name  HB#) 3.371 3.371 2.629 weight 1.000 spectrum  1 peak  1300 ! spec=13CA, no=1300, id=2470, vol=2.430000e+05
    or (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   42 and name  HB#) 3.371 3.371 2.629 weight 1.000 spectrum  1 peak  1300 ! spec=13CA, no=1300, id=2470, vol=2.430000e+05
    or (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   42 and name  HB#) 3.371 3.371 2.629 weight 1.000 spectrum  1 peak  1300 ! spec=13CA, no=1300, id=2470, vol=2.430000e+05
    or (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name   HA) 2.774 0.962 0.962 weight 1.000 spectrum  1 peak  1339 ! spec=13CA, no=1339, id=2504, vol=7.820000e+05
    or (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name   HA) 2.774 0.962 0.962 weight 1.000 spectrum  1 peak  1339 ! spec=13CA, no=1339, id=2504, vol=7.820000e+05
    or (segid "   B" and resid   33 and name   HA) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name   HA) 2.774 0.962 0.962 weight 1.000 spectrum  1 peak  1339 ! spec=13CA, no=1339, id=2504, vol=7.820000e+05
    or (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name   HA) 2.774 0.962 0.962 weight 1.000 spectrum  1 peak  1339 ! spec=13CA, no=1339, id=2504, vol=7.820000e+05
    or (segid "   D" and resid   33 and name   HA) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   36 and name   HA) 3.000 3.000 3.000 weight 1.000 spectrum  1 peak  1342 ! spec=13CA, no=1342, id=2506, vol=4.890000e+05
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   36 and name   HA)
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   36 and name   HA) 3.000 3.000 3.000 weight 1.000 spectrum  1 peak  1342 ! spec=13CA, no=1342, id=2506, vol=4.890000e+05
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   36 and name   HA)
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   36 and name   HA) 3.000 3.000 3.000 weight 1.000 spectrum  1 peak  1342 ! spec=13CA, no=1342, id=2506, vol=4.890000e+05
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   36 and name   HA)
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   36 and name   HA) 3.000 3.000 3.000 weight 1.000 spectrum  1 peak  1342 ! spec=13CA, no=1342, id=2506, vol=4.890000e+05
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   36 and name   HA)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    4 and name   HB) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1374 ! spec=13CA, no=1374, id=2531, vol=1.840000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    4 and name   HB)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    4 and name   HB) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1374 ! spec=13CA, no=1374, id=2531, vol=1.840000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    4 and name   HB)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    4 and name   HB) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1374 ! spec=13CA, no=1374, id=2531, vol=1.840000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    4 and name   HB)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    4 and name   HB) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1374 ! spec=13CA, no=1374, id=2531, vol=1.840000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    4 and name   HB)
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    4 and name   HB) 2.489 2.489 3.511 weight 1.000 spectrum  1 peak  1376 ! spec=13CA, no=1376, id=2533, vol=1.500000e+06
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid   22 and name  HE#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    4 and name   HB) 2.489 2.489 3.511 weight 1.000 spectrum  1 peak  1376 ! spec=13CA, no=1376, id=2533, vol=1.500000e+06
    or (segid "   B" and resid    4 and name   HB) (segid "   B" and resid   22 and name  HE#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    4 and name   HB) 2.489 2.489 3.511 weight 1.000 spectrum  1 peak  1376 ! spec=13CA, no=1376, id=2533, vol=1.500000e+06
    or (segid "   C" and resid    4 and name   HB) (segid "   C" and resid   22 and name  HE#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    4 and name   HB) 2.489 2.489 3.511 weight 1.000 spectrum  1 peak  1376 ! spec=13CA, no=1376, id=2533, vol=1.500000e+06
    or (segid "   D" and resid    4 and name   HB) (segid "   D" and resid   22 and name  HE#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   17 and name   HA) 3.140 3.140 2.860 weight 1.000 spectrum  1 peak  1378 ! spec=13CA, no=1378, id=2535, vol=3.720000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name   HA)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   17 and name   HA) 3.140 3.140 2.860 weight 1.000 spectrum  1 peak  1378 ! spec=13CA, no=1378, id=2535, vol=3.720000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   17 and name   HA) 3.140 3.140 2.860 weight 1.000 spectrum  1 peak  1378 ! spec=13CA, no=1378, id=2535, vol=3.720000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name   HA)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   17 and name   HA) 3.140 3.140 2.860 weight 1.000 spectrum  1 peak  1378 ! spec=13CA, no=1378, id=2535, vol=3.720000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   17 and name   HA) 3.132 3.132 2.868 weight 1.000 spectrum  1 peak  1379 ! spec=13CA, no=1379, id=2536, vol=3.780000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name   HA)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   20 and name  HE#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   17 and name   HA) 3.132 3.132 2.868 weight 1.000 spectrum  1 peak  1379 ! spec=13CA, no=1379, id=2536, vol=3.780000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name   HA)
    or (segid "   B" and resid   17 and name   HA) (segid "   B" and resid   20 and name  HE#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   17 and name   HA) 3.132 3.132 2.868 weight 1.000 spectrum  1 peak  1379 ! spec=13CA, no=1379, id=2536, vol=3.780000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name   HA)
    or (segid "   C" and resid   17 and name   HA) (segid "   C" and resid   20 and name  HE#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   17 and name   HA) 3.132 3.132 2.868 weight 1.000 spectrum  1 peak  1379 ! spec=13CA, no=1379, id=2536, vol=3.780000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name   HA)
    or (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   20 and name  HE#)
assign (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   22 and name   HA) 4.047 2.047 2.047 weight 1.000 spectrum  1 peak  1381 ! spec=13CA, no=1381, id=2538, vol=8.120000e+04
    or (segid "   A" and resid   14 and name  HB#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   22 and name   HA) 4.047 2.047 2.047 weight 1.000 spectrum  1 peak  1381 ! spec=13CA, no=1381, id=2538, vol=8.120000e+04
    or (segid "   B" and resid   14 and name  HB#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   22 and name   HA) 4.047 2.047 2.047 weight 1.000 spectrum  1 peak  1381 ! spec=13CA, no=1381, id=2538, vol=8.120000e+04
    or (segid "   C" and resid   14 and name  HB#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   22 and name   HA) 4.047 2.047 2.047 weight 1.000 spectrum  1 peak  1381 ! spec=13CA, no=1381, id=2538, vol=8.120000e+04
    or (segid "   D" and resid   14 and name  HB#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name  HG#) 3.704 1.715 1.715 weight 1.000 spectrum  1 peak  1383 ! spec=13CA, no=1383, id=2540, vol=1.380000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   17 and name   HA) (segid "   B" and resid   16 and name  HG#) 3.704 1.715 1.715 weight 1.000 spectrum  1 peak  1383 ! spec=13CA, no=1383, id=2540, vol=1.380000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   17 and name   HA) (segid "   C" and resid   16 and name  HG#) 3.704 1.715 1.715 weight 1.000 spectrum  1 peak  1383 ! spec=13CA, no=1383, id=2540, vol=1.380000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   16 and name  HG#) 3.704 1.715 1.715 weight 1.000 spectrum  1 peak  1383 ! spec=13CA, no=1383, id=2540, vol=1.380000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1384 ! spec=13CA, no=1384, id=2541, vol=1.080000e+05
    or (segid "   A" and resid    9 and name   HB) (segid "   B" and resid   22 and name   HA)
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1384 ! spec=13CA, no=1384, id=2541, vol=1.080000e+05
    or (segid "   B" and resid    9 and name   HB) (segid "   A" and resid   22 and name   HA)
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1384 ! spec=13CA, no=1384, id=2541, vol=1.080000e+05
    or (segid "   C" and resid    9 and name   HB) (segid "   D" and resid   22 and name   HA)
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1384 ! spec=13CA, no=1384, id=2541, vol=1.080000e+05
    or (segid "   D" and resid    9 and name   HB) (segid "   C" and resid   22 and name   HA)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    4 and name   HB) 2.928 1.072 1.072 weight 1.000 spectrum  1 peak  1390 ! spec=13CA, no=1390, id=2547, vol=5.660000e+05
    or (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    4 and name   HB) 2.928 1.072 1.072 weight 1.000 spectrum  1 peak  1390 ! spec=13CA, no=1390, id=2547, vol=5.660000e+05
    or (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    4 and name   HB) 2.928 1.072 1.072 weight 1.000 spectrum  1 peak  1390 ! spec=13CA, no=1390, id=2547, vol=5.660000e+05
    or (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    4 and name   HB) 2.928 1.072 1.072 weight 1.000 spectrum  1 peak  1390 ! spec=13CA, no=1390, id=2547, vol=5.660000e+05
    or (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name   HA) 3.984 1.984 1.984 weight 1.000 spectrum  1 peak  1391 ! spec=13CA, no=1391, id=2548, vol=8.920000e+04
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name   HA) 3.984 1.984 1.984 weight 1.000 spectrum  1 peak  1391 ! spec=13CA, no=1391, id=2548, vol=8.920000e+04
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name   HA) 3.984 1.984 1.984 weight 1.000 spectrum  1 peak  1391 ! spec=13CA, no=1391, id=2548, vol=8.920000e+04
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name   HA) 3.984 1.984 1.984 weight 1.000 spectrum  1 peak  1391 ! spec=13CA, no=1391, id=2548, vol=8.920000e+04
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   17 and name   HA) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1400 ! spec=13CA, no=1400, id=2555, vol=1.730000e+05
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   17 and name   HA) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1400 ! spec=13CA, no=1400, id=2555, vol=1.730000e+05
    or (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   17 and name   HA) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1400 ! spec=13CA, no=1400, id=2555, vol=1.730000e+05
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   17 and name   HA) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1400 ! spec=13CA, no=1400, id=2555, vol=1.730000e+05
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HA) 3.290 3.290 2.710 weight 1.000 spectrum  1 peak  1403 ! spec=13CA, no=1403, id=2558, vol=2.810000e+05
    or (segid "   A" and resid   14 and name   HA) (segid "   B" and resid   22 and name   HA)
    or (segid "   A" and resid   14 and name   HA) (segid "   D" and resid   24 and name  HB#)
assign (segid "   B" and resid   14 and name   HA) (segid "   B" and resid   17 and name   HA) 3.290 3.290 2.710 weight 1.000 spectrum  1 peak  1403 ! spec=13CA, no=1403, id=2558, vol=2.810000e+05
    or (segid "   B" and resid   14 and name   HA) (segid "   A" and resid   22 and name   HA)
    or (segid "   B" and resid   14 and name   HA) (segid "   C" and resid   24 and name  HB#)
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   17 and name   HA) 3.290 3.290 2.710 weight 1.000 spectrum  1 peak  1403 ! spec=13CA, no=1403, id=2558, vol=2.810000e+05
    or (segid "   C" and resid   14 and name   HA) (segid "   D" and resid   22 and name   HA)
    or (segid "   C" and resid   14 and name   HA) (segid "   B" and resid   24 and name  HB#)
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   17 and name   HA) 3.290 3.290 2.710 weight 1.000 spectrum  1 peak  1403 ! spec=13CA, no=1403, id=2558, vol=2.810000e+05
    or (segid "   D" and resid   14 and name   HA) (segid "   C" and resid   22 and name   HA)
    or (segid "   D" and resid   14 and name   HA) (segid "   A" and resid   24 and name  HB#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   23 and name  HG#) 3.963 1.963 1.963 weight 1.000 spectrum  1 peak  1407 ! spec=13CA, no=1407, id=2560, vol=9.210000e+04
    or (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   40 and name   HA)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   23 and name  HG#) 3.963 1.963 1.963 weight 1.000 spectrum  1 peak  1407 ! spec=13CA, no=1407, id=2560, vol=9.210000e+04
    or (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   40 and name   HA)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   23 and name  HG#) 3.963 1.963 1.963 weight 1.000 spectrum  1 peak  1407 ! spec=13CA, no=1407, id=2560, vol=9.210000e+04
    or (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   40 and name   HA)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   23 and name  HG#) 3.963 1.963 1.963 weight 1.000 spectrum  1 peak  1407 ! spec=13CA, no=1407, id=2560, vol=9.210000e+04
    or (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   40 and name   HA)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   11 and name  HA#) 3.205 3.205 2.795 weight 1.000 spectrum  1 peak  1436 ! spec=13CA, no=1436, id=2580, vol=3.290000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   11 and name  HA#) 3.205 3.205 2.795 weight 1.000 spectrum  1 peak  1436 ! spec=13CA, no=1436, id=2580, vol=3.290000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   11 and name  HA#) 3.205 3.205 2.795 weight 1.000 spectrum  1 peak  1436 ! spec=13CA, no=1436, id=2580, vol=3.290000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   11 and name  HA#) 3.205 3.205 2.795 weight 1.000 spectrum  1 peak  1436 ! spec=13CA, no=1436, id=2580, vol=3.290000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   24 and name  HB#) 3.390 3.390 2.610 weight 1.000 spectrum  1 peak  1441 ! spec=13CA, no=1441, id=2584, vol=2.350000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   24 and name  HB#) 3.390 3.390 2.610 weight 1.000 spectrum  1 peak  1441 ! spec=13CA, no=1441, id=2584, vol=2.350000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   24 and name  HB#) 3.390 3.390 2.610 weight 1.000 spectrum  1 peak  1441 ! spec=13CA, no=1441, id=2584, vol=2.350000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   24 and name  HB#) 3.390 3.390 2.610 weight 1.000 spectrum  1 peak  1441 ! spec=13CA, no=1441, id=2584, vol=2.350000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   23 and name  HG#) 3.932 1.933 1.933 weight 1.000 spectrum  1 peak  1444 ! spec=13CA, no=1444, id=2587, vol=9.650000e+04
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   23 and name  HG#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   23 and name  HG#) 3.932 1.933 1.933 weight 1.000 spectrum  1 peak  1444 ! spec=13CA, no=1444, id=2587, vol=9.650000e+04
    or (segid "   B" and resid   27 and name   HA) (segid "   B" and resid   23 and name  HG#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   23 and name  HG#) 3.932 1.933 1.933 weight 1.000 spectrum  1 peak  1444 ! spec=13CA, no=1444, id=2587, vol=9.650000e+04
    or (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   23 and name  HG#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   23 and name  HG#) 3.932 1.933 1.933 weight 1.000 spectrum  1 peak  1444 ! spec=13CA, no=1444, id=2587, vol=9.650000e+04
    or (segid "   D" and resid   27 and name   HA) (segid "   D" and resid   23 and name  HG#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name  HB#) 3.939 1.939 1.939 weight 1.000 spectrum  1 peak  1446 ! spec=13CA, no=1446, id=2589, vol=9.550000e+04
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name  HB#) 3.939 1.939 1.939 weight 1.000 spectrum  1 peak  1446 ! spec=13CA, no=1446, id=2589, vol=9.550000e+04
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name  HB#) 3.939 1.939 1.939 weight 1.000 spectrum  1 peak  1446 ! spec=13CA, no=1446, id=2589, vol=9.550000e+04
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name  HB#) 3.939 1.939 1.939 weight 1.000 spectrum  1 peak  1446 ! spec=13CA, no=1446, id=2589, vol=9.550000e+04
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   15 and name   HA) 3.422 1.464 1.464 weight 1.000 spectrum  1 peak  1448 ! spec=13CA, no=1448, id=2591, vol=2.220000e+05
    or (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   15 and name   HA) 3.422 1.464 1.464 weight 1.000 spectrum  1 peak  1448 ! spec=13CA, no=1448, id=2591, vol=2.220000e+05
    or (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   15 and name   HA) 3.422 1.464 1.464 weight 1.000 spectrum  1 peak  1448 ! spec=13CA, no=1448, id=2591, vol=2.220000e+05
    or (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   15 and name   HA) 3.422 1.464 1.464 weight 1.000 spectrum  1 peak  1448 ! spec=13CA, no=1448, id=2591, vol=2.220000e+05
    or (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   24 and name  HB#) 3.373 3.373 2.627 weight 1.000 spectrum  1 peak  1454 ! spec=13CA, no=1454, id=2593, vol=2.420000e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   24 and name  HB#) 3.373 3.373 2.627 weight 1.000 spectrum  1 peak  1454 ! spec=13CA, no=1454, id=2593, vol=2.420000e+05
    or (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   24 and name  HB#) 3.373 3.373 2.627 weight 1.000 spectrum  1 peak  1454 ! spec=13CA, no=1454, id=2593, vol=2.420000e+05
    or (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   24 and name  HB#) 3.373 3.373 2.627 weight 1.000 spectrum  1 peak  1454 ! spec=13CA, no=1454, id=2593, vol=2.420000e+05
    or (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   11 and name  HA#) 3.412 3.412 2.588 weight 1.000 spectrum  1 peak  1462 ! spec=13CA, no=1462, id=2596, vol=2.260000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid    9 and name   HA) (segid "   B" and resid   11 and name  HA#) 3.412 3.412 2.588 weight 1.000 spectrum  1 peak  1462 ! spec=13CA, no=1462, id=2596, vol=2.260000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid   11 and name  HA#) 3.412 3.412 2.588 weight 1.000 spectrum  1 peak  1462 ! spec=13CA, no=1462, id=2596, vol=2.260000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   11 and name  HA#) 3.412 3.412 2.588 weight 1.000 spectrum  1 peak  1462 ! spec=13CA, no=1462, id=2596, vol=2.260000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HA#) 2.997 1.123 1.123 weight 1.000 spectrum  1 peak  1463 ! spec=13CA, no=1463, id=2597, vol=4.920000e+05
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   11 and name  HA#) 2.997 1.123 1.123 weight 1.000 spectrum  1 peak  1463 ! spec=13CA, no=1463, id=2597, vol=4.920000e+05
    or (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   11 and name  HA#) 2.997 1.123 1.123 weight 1.000 spectrum  1 peak  1463 ! spec=13CA, no=1463, id=2597, vol=4.920000e+05
    or (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   11 and name  HA#) 2.997 1.123 1.123 weight 1.000 spectrum  1 peak  1463 ! spec=13CA, no=1463, id=2597, vol=4.920000e+05
    or (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   27 and name   HA) 3.188 1.270 1.270 weight 1.000 spectrum  1 peak  1468 ! spec=13CA, no=1468, id=2600, vol=3.400000e+05
    or (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   30 and name   HA) (segid "   B" and resid   27 and name   HA) 3.188 1.270 1.270 weight 1.000 spectrum  1 peak  1468 ! spec=13CA, no=1468, id=2600, vol=3.400000e+05
    or (segid "   B" and resid   30 and name   HA) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   27 and name   HA) 3.188 1.270 1.270 weight 1.000 spectrum  1 peak  1468 ! spec=13CA, no=1468, id=2600, vol=3.400000e+05
    or (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   27 and name   HA) 3.188 1.270 1.270 weight 1.000 spectrum  1 peak  1468 ! spec=13CA, no=1468, id=2600, vol=3.400000e+05
    or (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   20 and name  HE#) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1476 ! spec=13CA, no=1476, id=2605, vol=2.640000e+05
    or (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   20 and name  HE#) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1476 ! spec=13CA, no=1476, id=2605, vol=2.640000e+05
    or (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   20 and name  HE#) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1476 ! spec=13CA, no=1476, id=2605, vol=2.640000e+05
    or (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   20 and name  HE#) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1476 ! spec=13CA, no=1476, id=2605, vol=2.640000e+05
    or (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name   HA) 2.594 0.841 0.841 weight 1.000 spectrum  1 peak  1488 ! spec=13CA, no=1488, id=2617, vol=1.170000e+06
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   28 and name   HA)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name   HA) 2.594 0.841 0.841 weight 1.000 spectrum  1 peak  1488 ! spec=13CA, no=1488, id=2617, vol=1.170000e+06
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   28 and name   HA)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name   HA) 2.594 0.841 0.841 weight 1.000 spectrum  1 peak  1488 ! spec=13CA, no=1488, id=2617, vol=1.170000e+06
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   28 and name   HA)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name   HA) 2.594 0.841 0.841 weight 1.000 spectrum  1 peak  1488 ! spec=13CA, no=1488, id=2617, vol=1.170000e+06
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   28 and name   HA)
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak  1493 ! spec=13CA, no=1493, id=2622, vol=1.500000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name   HA)
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak  1493 ! spec=13CA, no=1493, id=2622, vol=1.500000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name   HA)
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak  1493 ! spec=13CA, no=1493, id=2622, vol=1.500000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name   HA)
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak  1493 ! spec=13CA, no=1493, id=2622, vol=1.500000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name   HA)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   33 and name   HA) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  1502 ! spec=13CA, no=1502, id=2629, vol=1.320000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   33 and name   HA) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  1502 ! spec=13CA, no=1502, id=2629, vol=1.320000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   33 and name   HA) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  1502 ! spec=13CA, no=1502, id=2629, vol=1.320000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   33 and name   HA) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  1502 ! spec=13CA, no=1502, id=2629, vol=1.320000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   33 and name   HA) (segid "   A" and resid   36 and name   HA) 3.203 3.203 2.797 weight 1.000 spectrum  1 peak  1504 ! spec=13CA, no=1504, id=2630, vol=3.300000e+05
    or (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   33 and name   HA) (segid "   B" and resid   36 and name   HA) 3.203 3.203 2.797 weight 1.000 spectrum  1 peak  1504 ! spec=13CA, no=1504, id=2630, vol=3.300000e+05
    or (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   33 and name   HA) (segid "   C" and resid   36 and name   HA) 3.203 3.203 2.797 weight 1.000 spectrum  1 peak  1504 ! spec=13CA, no=1504, id=2630, vol=3.300000e+05
    or (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   33 and name   HA) (segid "   D" and resid   36 and name   HA) 3.203 3.203 2.797 weight 1.000 spectrum  1 peak  1504 ! spec=13CA, no=1504, id=2630, vol=3.300000e+05
    or (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   33 and name   HA) 3.312 1.371 1.371 weight 1.000 spectrum  1 peak  1505 ! spec=13CA, no=1505, id=2631, vol=2.700000e+05
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   33 and name   HA) 3.312 1.371 1.371 weight 1.000 spectrum  1 peak  1505 ! spec=13CA, no=1505, id=2631, vol=2.700000e+05
    or (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   33 and name   HA) 3.312 1.371 1.371 weight 1.000 spectrum  1 peak  1505 ! spec=13CA, no=1505, id=2631, vol=2.700000e+05
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   33 and name   HA) 3.312 1.371 1.371 weight 1.000 spectrum  1 peak  1505 ! spec=13CA, no=1505, id=2631, vol=2.700000e+05
    or (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name  HB#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak  1519 ! spec=13CA, no=1519, id=2634, vol=1.530000e+06
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   38 and name  HB#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak  1519 ! spec=13CA, no=1519, id=2634, vol=1.530000e+06
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   38 and name  HB#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak  1519 ! spec=13CA, no=1519, id=2634, vol=1.530000e+06
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   38 and name  HB#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak  1519 ! spec=13CA, no=1519, id=2634, vol=1.530000e+06
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HD#) 2.758 2.758 3.242 weight 1.000 spectrum  1 peak  1523 ! spec=13CA, no=1523, id=2635, vol=8.110000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   43 and name   HA)
assign (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name  HD#) 2.758 2.758 3.242 weight 1.000 spectrum  1 peak  1523 ! spec=13CA, no=1523, id=2635, vol=8.110000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   43 and name   HA)
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name  HD#) 2.758 2.758 3.242 weight 1.000 spectrum  1 peak  1523 ! spec=13CA, no=1523, id=2635, vol=8.110000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   43 and name   HA)
assign (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name  HD#) 2.758 2.758 3.242 weight 1.000 spectrum  1 peak  1523 ! spec=13CA, no=1523, id=2635, vol=8.110000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   43 and name   HA)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   19 and name   HA) 3.200 3.200 2.800 weight 1.000 spectrum  1 peak  1531 ! spec=13CA, no=1531, id=2640, vol=3.320000e+05
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name   HA) (segid "   B" and resid   19 and name   HA) 3.200 3.200 2.800 weight 1.000 spectrum  1 peak  1531 ! spec=13CA, no=1531, id=2640, vol=3.320000e+05
    or (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name   HA) (segid "   C" and resid   19 and name   HA) 3.200 3.200 2.800 weight 1.000 spectrum  1 peak  1531 ! spec=13CA, no=1531, id=2640, vol=3.320000e+05
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name   HA) (segid "   D" and resid   19 and name   HA) 3.200 3.200 2.800 weight 1.000 spectrum  1 peak  1531 ! spec=13CA, no=1531, id=2640, vol=3.320000e+05
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   19 and name   HA) 3.115 1.213 1.724 weight 1.000 spectrum  1 peak  1532 ! spec=13CA, no=1532, id=2641, vol=3.900000e+05
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   19 and name   HA) 3.115 1.213 1.724 weight 1.000 spectrum  1 peak  1532 ! spec=13CA, no=1532, id=2641, vol=3.900000e+05
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   19 and name   HA) 3.115 1.213 1.724 weight 1.000 spectrum  1 peak  1532 ! spec=13CA, no=1532, id=2641, vol=3.900000e+05
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   19 and name   HA) 3.115 1.213 1.724 weight 1.000 spectrum  1 peak  1532 ! spec=13CA, no=1532, id=2641, vol=3.900000e+05
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   19 and name   HA) 3.222 1.297 1.575 weight 1.000 spectrum  1 peak  1533 ! spec=13CA, no=1533, id=2642, vol=3.190000e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   19 and name   HA) 3.222 1.297 1.575 weight 1.000 spectrum  1 peak  1533 ! spec=13CA, no=1533, id=2642, vol=3.190000e+05
    or (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   19 and name   HA) 3.222 1.297 1.575 weight 1.000 spectrum  1 peak  1533 ! spec=13CA, no=1533, id=2642, vol=3.190000e+05
    or (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   19 and name   HA) 3.222 1.297 1.575 weight 1.000 spectrum  1 peak  1533 ! spec=13CA, no=1533, id=2642, vol=3.190000e+05
    or (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid   26 and name   HA) 3.124 1.220 1.220 weight 1.000 spectrum  1 peak  1546 ! spec=13CA, no=1546, id=2644, vol=3.840000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid   26 and name   HA) 3.124 1.220 1.220 weight 1.000 spectrum  1 peak  1546 ! spec=13CA, no=1546, id=2644, vol=3.840000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid   26 and name   HA) 3.124 1.220 1.220 weight 1.000 spectrum  1 peak  1546 ! spec=13CA, no=1546, id=2644, vol=3.840000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid   26 and name   HA) 3.124 1.220 1.220 weight 1.000 spectrum  1 peak  1546 ! spec=13CA, no=1546, id=2644, vol=3.840000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HE#) 2.986 2.986 3.014 weight 1.000 spectrum  1 peak  1550 ! spec=13CA, no=1550, id=2648, vol=5.030000e+05
assign (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   20 and name  HE#) 2.986 2.986 3.014 weight 1.000 spectrum  1 peak  1550 ! spec=13CA, no=1550, id=2648, vol=5.030000e+05
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name  HE#) 2.986 2.986 3.014 weight 1.000 spectrum  1 peak  1550 ! spec=13CA, no=1550, id=2648, vol=5.030000e+05
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   20 and name  HE#) 2.986 2.986 3.014 weight 1.000 spectrum  1 peak  1550 ! spec=13CA, no=1550, id=2648, vol=5.030000e+05
assign (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB#) 2.172 0.589 0.589 weight 1.000 spectrum  1 peak  1573 ! spec=13CA, no=1573, id=2664, vol=3.400000e+06
    or (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name  HB#) 2.172 0.589 0.589 weight 1.000 spectrum  1 peak  1573 ! spec=13CA, no=1573, id=2664, vol=3.400000e+06
    or (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB#) 2.172 0.589 0.589 weight 1.000 spectrum  1 peak  1573 ! spec=13CA, no=1573, id=2664, vol=3.400000e+06
    or (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   42 and name   HA) (segid "   D" and resid   42 and name  HB#) 2.172 0.589 0.589 weight 1.000 spectrum  1 peak  1573 ! spec=13CA, no=1573, id=2664, vol=3.400000e+06
    or (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   10 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1578 ! spec=13CA, no=1578, id=2669, vol=1.460000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   27 and name   HA)
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   21 and name   HG) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   10 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1578 ! spec=13CA, no=1578, id=2669, vol=1.460000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   27 and name   HA)
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   21 and name   HG) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   10 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1578 ! spec=13CA, no=1578, id=2669, vol=1.460000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   27 and name   HA)
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   21 and name   HG) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   10 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1578 ! spec=13CA, no=1578, id=2669, vol=1.460000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   27 and name   HA)
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   21 and name   HG) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name   HA) 3.290 1.353 1.353 weight 1.000 spectrum  1 peak  1581 ! spec=13CA, no=1581, id=2671, vol=2.810000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   24 and name   HA)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name   HA) 3.290 1.353 1.353 weight 1.000 spectrum  1 peak  1581 ! spec=13CA, no=1581, id=2671, vol=2.810000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   24 and name   HA)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name   HA) 3.290 1.353 1.353 weight 1.000 spectrum  1 peak  1581 ! spec=13CA, no=1581, id=2671, vol=2.810000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   24 and name   HA)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name   HA) 3.290 1.353 1.353 weight 1.000 spectrum  1 peak  1581 ! spec=13CA, no=1581, id=2671, vol=2.810000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   24 and name   HA)
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid   26 and name   HA) 3.169 1.255 1.255 weight 1.000 spectrum  1 peak  1582 ! spec=13CA, no=1582, id=2672, vol=3.520000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   40 and name  HD#) (segid "   C" and resid   20 and name   HA)
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid   26 and name   HA) 3.169 1.255 1.255 weight 1.000 spectrum  1 peak  1582 ! spec=13CA, no=1582, id=2672, vol=3.520000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   40 and name  HD#) (segid "   D" and resid   20 and name   HA)
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid   26 and name   HA) 3.169 1.255 1.255 weight 1.000 spectrum  1 peak  1582 ! spec=13CA, no=1582, id=2672, vol=3.520000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   40 and name  HD#) (segid "   A" and resid   20 and name   HA)
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid   26 and name   HA) 3.169 1.255 1.255 weight 1.000 spectrum  1 peak  1582 ! spec=13CA, no=1582, id=2672, vol=3.520000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   41 and name   HA)
    or (segid "   D" and resid   40 and name  HD#) (segid "   B" and resid   20 and name   HA)
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   41 and name   HA) 3.271 1.338 1.338 weight 1.000 spectrum  1 peak  1583 ! spec=13CA, no=1583, id=2673, vol=2.910000e+05
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   41 and name   HA) 3.271 1.338 1.338 weight 1.000 spectrum  1 peak  1583 ! spec=13CA, no=1583, id=2673, vol=2.910000e+05
    or (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   42 and name   HA)
    or (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   41 and name   HA) 3.271 1.338 1.338 weight 1.000 spectrum  1 peak  1583 ! spec=13CA, no=1583, id=2673, vol=2.910000e+05
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   42 and name   HA)
    or (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   41 and name   HA) 3.271 1.338 1.338 weight 1.000 spectrum  1 peak  1583 ! spec=13CA, no=1583, id=2673, vol=2.910000e+05
    or (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   26 and name   HA) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1587 ! spec=13CA, no=1587, id=2676, vol=1.840000e+05
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   27 and name  HB#) (segid "   C" and resid   29 and name   HA)
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   26 and name   HA) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1587 ! spec=13CA, no=1587, id=2676, vol=1.840000e+05
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   24 and name   HA)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   26 and name   HA)
    or (segid "   B" and resid   27 and name  HB#) (segid "   D" and resid   29 and name   HA)
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   26 and name   HA) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1587 ! spec=13CA, no=1587, id=2676, vol=1.840000e+05
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   24 and name   HA)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   27 and name  HB#) (segid "   A" and resid   29 and name   HA)
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   26 and name   HA) 3.531 1.558 1.558 weight 1.000 spectrum  1 peak  1587 ! spec=13CA, no=1587, id=2676, vol=1.840000e+05
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   24 and name   HA)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   26 and name   HA)
    or (segid "   D" and resid   27 and name  HB#) (segid "   B" and resid   29 and name   HA)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   29 and name   HA) 2.987 1.115 1.115 weight 1.000 spectrum  1 peak  1594 ! spec=13CA, no=1594, id=2681, vol=5.020000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   24 and name   HA)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   29 and name   HA) 2.987 1.115 1.115 weight 1.000 spectrum  1 peak  1594 ! spec=13CA, no=1594, id=2681, vol=5.020000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   24 and name   HA)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   29 and name   HA) 2.987 1.115 1.115 weight 1.000 spectrum  1 peak  1594 ! spec=13CA, no=1594, id=2681, vol=5.020000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   24 and name   HA)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   29 and name   HA) 2.987 1.115 1.115 weight 1.000 spectrum  1 peak  1594 ! spec=13CA, no=1594, id=2681, vol=5.020000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   24 and name   HA)
assign (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   44 and name   HA) 2.591 2.591 3.409 weight 1.000 spectrum  1 peak  1600 ! spec=13CA, no=1600, id=2685, vol=1.180000e+06
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   48 and name   HA)
assign (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   44 and name   HA) 2.591 2.591 3.409 weight 1.000 spectrum  1 peak  1600 ! spec=13CA, no=1600, id=2685, vol=1.180000e+06
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   48 and name   HA)
assign (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   44 and name   HA) 2.591 2.591 3.409 weight 1.000 spectrum  1 peak  1600 ! spec=13CA, no=1600, id=2685, vol=1.180000e+06
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   48 and name   HA)
assign (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   44 and name   HA) 2.591 2.591 3.409 weight 1.000 spectrum  1 peak  1600 ! spec=13CA, no=1600, id=2685, vol=1.180000e+06
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   48 and name   HA)
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  1 peak  1601 ! spec=13CA, no=1601, id=2686, vol=2.580000e+06
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  1 peak  1601 ! spec=13CA, no=1601, id=2686, vol=2.580000e+06
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  1 peak  1601 ! spec=13CA, no=1601, id=2686, vol=2.580000e+06
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  1 peak  1601 ! spec=13CA, no=1601, id=2686, vol=2.580000e+06
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   29 and name   HA) 3.425 1.466 1.466 weight 1.000 spectrum  1 peak  1607 ! spec=13CA, no=1607, id=2690, vol=2.210000e+05
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name  HD#)
assign (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   29 and name   HA) 3.425 1.466 1.466 weight 1.000 spectrum  1 peak  1607 ! spec=13CA, no=1607, id=2690, vol=2.210000e+05
    or (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   32 and name  HD#)
assign (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   29 and name   HA) 3.425 1.466 1.466 weight 1.000 spectrum  1 peak  1607 ! spec=13CA, no=1607, id=2690, vol=2.210000e+05
    or (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   32 and name  HD#)
assign (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   29 and name   HA) 3.425 1.466 1.466 weight 1.000 spectrum  1 peak  1607 ! spec=13CA, no=1607, id=2690, vol=2.210000e+05
    or (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   32 and name  HD#)
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name   HA) 2.417 2.417 3.583 weight 1.000 spectrum  1 peak  1620 ! spec=13CA, no=1620, id=2699, vol=1.790000e+06
    or (segid "   A" and resid   27 and name   HA) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   29 and name   HA)
assign (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   27 and name   HA) 2.417 2.417 3.583 weight 1.000 spectrum  1 peak  1620 ! spec=13CA, no=1620, id=2699, vol=1.790000e+06
    or (segid "   B" and resid   27 and name   HA) (segid "   B" and resid   29 and name   HA)
    or (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   29 and name   HA)
assign (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   27 and name   HA) 2.417 2.417 3.583 weight 1.000 spectrum  1 peak  1620 ! spec=13CA, no=1620, id=2699, vol=1.790000e+06
    or (segid "   C" and resid   27 and name   HA) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   29 and name   HA)
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   27 and name   HA) 2.417 2.417 3.583 weight 1.000 spectrum  1 peak  1620 ! spec=13CA, no=1620, id=2699, vol=1.790000e+06
    or (segid "   D" and resid   27 and name   HA) (segid "   D" and resid   29 and name   HA)
    or (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   29 and name   HA)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   21 and name   HA) 3.294 1.357 1.357 weight 1.000 spectrum  1 peak  1628 ! spec=13CA, no=1628, id=2702, vol=2.790000e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name   HA)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   21 and name   HA) 3.294 1.357 1.357 weight 1.000 spectrum  1 peak  1628 ! spec=13CA, no=1628, id=2702, vol=2.790000e+05
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   40 and name   HA)
    or (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   21 and name   HA) 3.294 1.357 1.357 weight 1.000 spectrum  1 peak  1628 ! spec=13CA, no=1628, id=2702, vol=2.790000e+05
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   40 and name   HA)
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   21 and name   HA) 3.294 1.357 1.357 weight 1.000 spectrum  1 peak  1628 ! spec=13CA, no=1628, id=2702, vol=2.790000e+05
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   40 and name   HA)
    or (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   38 and name   HA) 2.663 2.663 3.337 weight 1.000 spectrum  1 peak  1630 ! spec=13CA, no=1630, id=2704, vol=1.000000e+06
    or (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   39 and name   HA)
    or (segid "   A" and resid   41 and name   HA) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   41 and name   HA) (segid "   B" and resid   38 and name   HA) 2.663 2.663 3.337 weight 1.000 spectrum  1 peak  1630 ! spec=13CA, no=1630, id=2704, vol=1.000000e+06
    or (segid "   B" and resid   41 and name   HA) (segid "   B" and resid   39 and name   HA)
    or (segid "   B" and resid   41 and name   HA) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   38 and name   HA) 2.663 2.663 3.337 weight 1.000 spectrum  1 peak  1630 ! spec=13CA, no=1630, id=2704, vol=1.000000e+06
    or (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   39 and name   HA)
    or (segid "   C" and resid   41 and name   HA) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   38 and name   HA) 2.663 2.663 3.337 weight 1.000 spectrum  1 peak  1630 ! spec=13CA, no=1630, id=2704, vol=1.000000e+06
    or (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   39 and name   HA)
    or (segid "   D" and resid   41 and name   HA) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    2 and name   HA) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1644 ! spec=13CA, no=1644, id=2714, vol=2.450000e+05
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    2 and name   HA)
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    5 and name   HA)
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    2 and name   HA) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1644 ! spec=13CA, no=1644, id=2714, vol=2.450000e+05
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    2 and name   HA)
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    5 and name   HA)
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    2 and name   HA) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1644 ! spec=13CA, no=1644, id=2714, vol=2.450000e+05
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    2 and name   HA)
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    5 and name   HA)
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    2 and name   HA) 3.366 1.417 1.417 weight 1.000 spectrum  1 peak  1644 ! spec=13CA, no=1644, id=2714, vol=2.450000e+05
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    2 and name   HA)
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    5 and name   HA)
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    2 and name   HA) 3.544 1.570 1.707 weight 1.000 spectrum  1 peak  1656 ! spec=13CA, no=1656, id=2721, vol=1.800000e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    5 and name   HA)
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    2 and name   HA) 3.544 1.570 1.707 weight 1.000 spectrum  1 peak  1656 ! spec=13CA, no=1656, id=2721, vol=1.800000e+05
    or (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    5 and name   HA)
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    2 and name   HA) 3.544 1.570 1.707 weight 1.000 spectrum  1 peak  1656 ! spec=13CA, no=1656, id=2721, vol=1.800000e+05
    or (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    5 and name   HA)
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    2 and name   HA) 3.544 1.570 1.707 weight 1.000 spectrum  1 peak  1656 ! spec=13CA, no=1656, id=2721, vol=1.800000e+05
    or (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    5 and name   HA)
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    2 and name   HA) 2.875 2.875 3.125 weight 1.000 spectrum  1 peak  1675 ! spec=13CA, no=1675, id=2726, vol=6.320000e+05
    or (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    5 and name   HA)
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   46 and name   HA)
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   35 and name   HA)
    or (segid "   A" and resid   40 and name  HD#) (segid "   C" and resid   23 and name   HA)
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    2 and name   HA) 2.875 2.875 3.125 weight 1.000 spectrum  1 peak  1675 ! spec=13CA, no=1675, id=2726, vol=6.320000e+05
    or (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    5 and name   HA)
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   23 and name   HA)
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   46 and name   HA)
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   35 and name   HA)
    or (segid "   B" and resid   40 and name  HD#) (segid "   D" and resid   23 and name   HA)
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    2 and name   HA) 2.875 2.875 3.125 weight 1.000 spectrum  1 peak  1675 ! spec=13CA, no=1675, id=2726, vol=6.320000e+05
    or (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    5 and name   HA)
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   23 and name   HA)
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   46 and name   HA)
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   35 and name   HA)
    or (segid "   C" and resid   40 and name  HD#) (segid "   A" and resid   23 and name   HA)
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    2 and name   HA) 2.875 2.875 3.125 weight 1.000 spectrum  1 peak  1675 ! spec=13CA, no=1675, id=2726, vol=6.320000e+05
    or (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    5 and name   HA)
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   23 and name   HA)
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   46 and name   HA)
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   35 and name   HA)
    or (segid "   D" and resid   40 and name  HD#) (segid "   B" and resid   23 and name   HA)
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    5 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  1692 ! spec=13CA, no=1692, id=2741, vol=1.210000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   23 and name   HA)
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    5 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  1692 ! spec=13CA, no=1692, id=2741, vol=1.210000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   23 and name   HA)
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    5 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  1692 ! spec=13CA, no=1692, id=2741, vol=1.210000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   23 and name   HA)
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    5 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  1692 ! spec=13CA, no=1692, id=2741, vol=1.210000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   23 and name   HA)
assign (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   21 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1702 ! spec=13CA, no=1702, id=2749, vol=1.140000e+06
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   45 and name   HA)
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   46 and name   HA)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   21 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1702 ! spec=13CA, no=1702, id=2749, vol=1.140000e+06
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   46 and name   HA)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   21 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1702 ! spec=13CA, no=1702, id=2749, vol=1.140000e+06
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   45 and name   HA)
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   46 and name   HA)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   21 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1702 ! spec=13CA, no=1702, id=2749, vol=1.140000e+06
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   45 and name   HA)
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   46 and name   HA)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   14 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1732 ! spec=13CA, no=1732, id=2770, vol=1.890000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   14 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1732 ! spec=13CA, no=1732, id=2770, vol=1.890000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   14 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1732 ! spec=13CA, no=1732, id=2770, vol=1.890000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   14 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1732 ! spec=13CA, no=1732, id=2770, vol=1.890000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name   HA) 3.564 1.588 2.290 weight 1.000 spectrum  1 peak  1738 ! spec=13CA, no=1738, id=2776, vol=1.740000e+05
assign (segid "   B" and resid   14 and name   HA) (segid "   B" and resid   17 and name   HA) 3.564 1.588 2.290 weight 1.000 spectrum  1 peak  1738 ! spec=13CA, no=1738, id=2776, vol=1.740000e+05
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   17 and name   HA) 3.564 1.588 2.290 weight 1.000 spectrum  1 peak  1738 ! spec=13CA, no=1738, id=2776, vol=1.740000e+05
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   17 and name   HA) 3.564 1.588 2.290 weight 1.000 spectrum  1 peak  1738 ! spec=13CA, no=1738, id=2776, vol=1.740000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   14 and name   HA) 3.965 1.965 1.965 weight 1.000 spectrum  1 peak  1739 ! spec=13CA, no=1739, id=2777, vol=9.180000e+04
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   14 and name   HA)
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   14 and name   HA) 3.965 1.965 1.965 weight 1.000 spectrum  1 peak  1739 ! spec=13CA, no=1739, id=2777, vol=9.180000e+04
    or (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   14 and name   HA)
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   14 and name   HA) 3.965 1.965 1.965 weight 1.000 spectrum  1 peak  1739 ! spec=13CA, no=1739, id=2777, vol=9.180000e+04
    or (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   14 and name   HA)
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   14 and name   HA) 3.965 1.965 1.965 weight 1.000 spectrum  1 peak  1739 ! spec=13CA, no=1739, id=2777, vol=9.180000e+04
    or (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   14 and name   HA)
assign (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   14 and name   HA) 3.709 3.709 2.775 weight 1.000 spectrum  1 peak  1750 ! spec=13CA, no=1750, id=2779, vol=1.370000e+05
    or (segid "   A" and resid   26 and name   HA) (segid "   B" and resid   14 and name   HA)
assign (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   14 and name   HA) 3.709 3.709 2.775 weight 1.000 spectrum  1 peak  1750 ! spec=13CA, no=1750, id=2779, vol=1.370000e+05
    or (segid "   B" and resid   26 and name   HA) (segid "   A" and resid   14 and name   HA)
assign (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   14 and name   HA) 3.709 3.709 2.775 weight 1.000 spectrum  1 peak  1750 ! spec=13CA, no=1750, id=2779, vol=1.370000e+05
    or (segid "   C" and resid   26 and name   HA) (segid "   D" and resid   14 and name   HA)
assign (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   14 and name   HA) 3.709 3.709 2.775 weight 1.000 spectrum  1 peak  1750 ! spec=13CA, no=1750, id=2779, vol=1.370000e+05
    or (segid "   D" and resid   26 and name   HA) (segid "   C" and resid   14 and name   HA)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    9 and name   HA) 3.383 1.430 1.430 weight 1.000 spectrum  1 peak  1775 ! spec=13CA, no=1775, id=2792, vol=2.380000e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    9 and name   HA) 3.383 1.430 1.430 weight 1.000 spectrum  1 peak  1775 ! spec=13CA, no=1775, id=2792, vol=2.380000e+05
    or (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    9 and name   HA) 3.383 1.430 1.430 weight 1.000 spectrum  1 peak  1775 ! spec=13CA, no=1775, id=2792, vol=2.380000e+05
    or (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    9 and name   HA) 3.383 1.430 1.430 weight 1.000 spectrum  1 peak  1775 ! spec=13CA, no=1775, id=2792, vol=2.380000e+05
    or (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    9 and name   HA) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak  1782 ! spec=13CA, no=1782, id=2797, vol=3.670000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    9 and name   HA) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak  1782 ! spec=13CA, no=1782, id=2797, vol=3.670000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    9 and name   HA) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak  1782 ! spec=13CA, no=1782, id=2797, vol=3.670000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    9 and name   HA) 3.147 1.238 1.238 weight 1.000 spectrum  1 peak  1782 ! spec=13CA, no=1782, id=2797, vol=3.670000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    9 and name   HA) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1783 ! spec=13CA, no=1783, id=2798, vol=1.140000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    9 and name   HA) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1783 ! spec=13CA, no=1783, id=2798, vol=1.140000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    9 and name   HA) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1783 ! spec=13CA, no=1783, id=2798, vol=1.140000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    9 and name   HA) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1783 ! spec=13CA, no=1783, id=2798, vol=1.140000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    1 and name   HA) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1784 ! spec=13CA, no=1784, id=2799, vol=1.080000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HB#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    1 and name   HA) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1784 ! spec=13CA, no=1784, id=2799, vol=1.080000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    2 and name  HB#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    1 and name   HA) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1784 ! spec=13CA, no=1784, id=2799, vol=1.080000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    2 and name  HB#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    1 and name   HA) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1784 ! spec=13CA, no=1784, id=2799, vol=1.080000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    2 and name  HB#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    1 and name   HA) 3.150 3.150 2.850 weight 1.000 spectrum  1 peak  1804 ! spec=13CA, no=1804, id=2815, vol=3.650000e+05
    or (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    1 and name   HA) 3.150 3.150 2.850 weight 1.000 spectrum  1 peak  1804 ! spec=13CA, no=1804, id=2815, vol=3.650000e+05
    or (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    1 and name   HA) 3.150 3.150 2.850 weight 1.000 spectrum  1 peak  1804 ! spec=13CA, no=1804, id=2815, vol=3.650000e+05
    or (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    1 and name   HA) 3.150 3.150 2.850 weight 1.000 spectrum  1 peak  1804 ! spec=13CA, no=1804, id=2815, vol=3.650000e+05
    or (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid    7 and name   HA) 3.205 3.205 2.948 weight 1.000 spectrum  1 peak  1844 ! spec=13CA, no=1844, id=2829, vol=3.290000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid    7 and name   HA)
assign (segid "   B" and resid    9 and name   HA) (segid "   B" and resid    7 and name   HA) 3.205 3.205 2.948 weight 1.000 spectrum  1 peak  1844 ! spec=13CA, no=1844, id=2829, vol=3.290000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid    7 and name   HA)
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid    7 and name   HA) 3.205 3.205 2.948 weight 1.000 spectrum  1 peak  1844 ! spec=13CA, no=1844, id=2829, vol=3.290000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid    7 and name   HA)
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid    7 and name   HA) 3.205 3.205 2.948 weight 1.000 spectrum  1 peak  1844 ! spec=13CA, no=1844, id=2829, vol=3.290000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid    7 and name   HA)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    7 and name   HA) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1863 ! spec=13CA, no=1863, id=2841, vol=2.640000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    7 and name   HA)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    7 and name   HA) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1863 ! spec=13CA, no=1863, id=2841, vol=2.640000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    7 and name   HA)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    7 and name   HA) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1863 ! spec=13CA, no=1863, id=2841, vol=2.640000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    7 and name   HA)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    7 and name   HA) 3.325 3.325 2.675 weight 1.000 spectrum  1 peak  1863 ! spec=13CA, no=1863, id=2841, vol=2.640000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    7 and name   HA)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1876 ! spec=13CA, no=1876, id=2850, vol=1.590000e+05
    or (segid "   A" and resid    6 and name  HB#) (segid "   B" and resid    8 and name   HA)
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1876 ! spec=13CA, no=1876, id=2850, vol=1.590000e+05
    or (segid "   B" and resid    6 and name  HB#) (segid "   A" and resid    8 and name   HA)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1876 ! spec=13CA, no=1876, id=2850, vol=1.590000e+05
    or (segid "   C" and resid    6 and name  HB#) (segid "   D" and resid    8 and name   HA)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1876 ! spec=13CA, no=1876, id=2850, vol=1.590000e+05
    or (segid "   D" and resid    6 and name  HB#) (segid "   C" and resid    8 and name   HA)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1877 ! spec=13CA, no=1877, id=2851, vol=1.590000e+05
    or (segid "   A" and resid    6 and name  HB#) (segid "   B" and resid    8 and name   HA)
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1877 ! spec=13CA, no=1877, id=2851, vol=1.590000e+05
    or (segid "   B" and resid    6 and name  HB#) (segid "   A" and resid    8 and name   HA)
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1877 ! spec=13CA, no=1877, id=2851, vol=1.590000e+05
    or (segid "   C" and resid    6 and name  HB#) (segid "   D" and resid    8 and name   HA)
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1877 ! spec=13CA, no=1877, id=2851, vol=1.590000e+05
    or (segid "   D" and resid    6 and name  HB#) (segid "   C" and resid    8 and name   HA)
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    6 and name   HA) 3.479 3.479 2.954 weight 1.000 spectrum  1 peak  1903 ! spec=13CA, no=1903, id=2857, vol=2.010000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    6 and name   HA) 3.479 3.479 2.954 weight 1.000 spectrum  1 peak  1903 ! spec=13CA, no=1903, id=2857, vol=2.010000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    6 and name   HA) 3.479 3.479 2.954 weight 1.000 spectrum  1 peak  1903 ! spec=13CA, no=1903, id=2857, vol=2.010000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    6 and name   HA) 3.479 3.479 2.954 weight 1.000 spectrum  1 peak  1903 ! spec=13CA, no=1903, id=2857, vol=2.010000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name   HA) 2.900 1.051 1.236 weight 1.000 spectrum  1 peak  1907 ! spec=13CA, no=1907, id=2858, vol=6.000000e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    7 and name   HA) 2.900 1.051 1.236 weight 1.000 spectrum  1 peak  1907 ! spec=13CA, no=1907, id=2858, vol=6.000000e+05
    or (segid "   B" and resid    7 and name   HA) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    7 and name   HA) 2.900 1.051 1.236 weight 1.000 spectrum  1 peak  1907 ! spec=13CA, no=1907, id=2858, vol=6.000000e+05
    or (segid "   C" and resid    7 and name   HA) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    7 and name   HA) 2.900 1.051 1.236 weight 1.000 spectrum  1 peak  1907 ! spec=13CA, no=1907, id=2858, vol=6.000000e+05
    or (segid "   D" and resid    7 and name   HA) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    5 and name  HE#) 2.546 2.546 3.454 weight 1.000 spectrum  1 peak  1962 ! spec=13CA, no=1962, id=2869, vol=1.310000e+06
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    5 and name  HE#) 2.546 2.546 3.454 weight 1.000 spectrum  1 peak  1962 ! spec=13CA, no=1962, id=2869, vol=1.310000e+06
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    5 and name  HE#) 2.546 2.546 3.454 weight 1.000 spectrum  1 peak  1962 ! spec=13CA, no=1962, id=2869, vol=1.310000e+06
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    5 and name  HE#) 2.546 2.546 3.454 weight 1.000 spectrum  1 peak  1962 ! spec=13CA, no=1962, id=2869, vol=1.310000e+06
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    5 and name  HD#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1970 ! spec=13CA, no=1970, id=2876, vol=1.270000e+05
    or (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    5 and name  HD#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1970 ! spec=13CA, no=1970, id=2876, vol=1.270000e+05
    or (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    5 and name  HD#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1970 ! spec=13CA, no=1970, id=2876, vol=1.270000e+05
    or (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    5 and name  HD#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1970 ! spec=13CA, no=1970, id=2876, vol=1.270000e+05
    or (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    5 and name  HD#) 3.614 1.633 1.783 weight 1.000 spectrum  1 peak  1975 ! spec=13CA, no=1975, id=2880, vol=1.600000e+05
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    4 and name   HB) (segid "   B" and resid    5 and name  HD#) 3.614 1.633 1.783 weight 1.000 spectrum  1 peak  1975 ! spec=13CA, no=1975, id=2880, vol=1.600000e+05
    or (segid "   B" and resid    4 and name   HB) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    4 and name   HB) (segid "   C" and resid    5 and name  HD#) 3.614 1.633 1.783 weight 1.000 spectrum  1 peak  1975 ! spec=13CA, no=1975, id=2880, vol=1.600000e+05
    or (segid "   C" and resid    4 and name   HB) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    4 and name   HB) (segid "   D" and resid    5 and name  HD#) 3.614 1.633 1.783 weight 1.000 spectrum  1 peak  1975 ! spec=13CA, no=1975, id=2880, vol=1.600000e+05
    or (segid "   D" and resid    4 and name   HB) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    5 and name  HD#) 3.065 1.174 1.174 weight 1.000 spectrum  1 peak  1979 ! spec=13CA, no=1979, id=2883, vol=4.300000e+05
    or (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    5 and name  HE#)
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    5 and name  HD#) 3.065 1.174 1.174 weight 1.000 spectrum  1 peak  1979 ! spec=13CA, no=1979, id=2883, vol=4.300000e+05
    or (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    5 and name  HE#)
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    5 and name  HD#) 3.065 1.174 1.174 weight 1.000 spectrum  1 peak  1979 ! spec=13CA, no=1979, id=2883, vol=4.300000e+05
    or (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    5 and name  HE#)
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    5 and name  HD#) 3.065 1.174 1.174 weight 1.000 spectrum  1 peak  1979 ! spec=13CA, no=1979, id=2883, vol=4.300000e+05
    or (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    5 and name  HE#)
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   15 and name  HD#) 3.670 3.670 2.598 weight 1.000 spectrum  1 peak  1994 ! spec=13CA, no=1994, id=2897, vol=1.460000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid    6 and name  HE#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   15 and name  HD#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    6 and name  HE#)
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   15 and name  HD#) 3.670 3.670 2.598 weight 1.000 spectrum  1 peak  1994 ! spec=13CA, no=1994, id=2897, vol=1.460000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid    6 and name  HE#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   15 and name  HD#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    6 and name  HE#)
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   15 and name  HD#) 3.670 3.670 2.598 weight 1.000 spectrum  1 peak  1994 ! spec=13CA, no=1994, id=2897, vol=1.460000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid    6 and name  HE#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   15 and name  HD#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    6 and name  HE#)
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   15 and name  HD#) 3.670 3.670 2.598 weight 1.000 spectrum  1 peak  1994 ! spec=13CA, no=1994, id=2897, vol=1.460000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid    6 and name  HE#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   15 and name  HD#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    6 and name  HE#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid    6 and name  HE#) 3.045 3.045 3.460 weight 1.000 spectrum  1 peak  1995 ! spec=13CA, no=1995, id=2898, vol=4.470000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   15 and name  HD#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid    6 and name  HE#) 3.045 3.045 3.460 weight 1.000 spectrum  1 peak  1995 ! spec=13CA, no=1995, id=2898, vol=4.470000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   15 and name  HD#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid    6 and name  HE#) 3.045 3.045 3.460 weight 1.000 spectrum  1 peak  1995 ! spec=13CA, no=1995, id=2898, vol=4.470000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   15 and name  HD#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid    6 and name  HE#) 3.045 3.045 3.460 weight 1.000 spectrum  1 peak  1995 ! spec=13CA, no=1995, id=2898, vol=4.470000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   15 and name  HD#)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    6 and name  HE#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1997 ! spec=13CA, no=1997, id=2900, vol=1.270000e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   15 and name  HD#)
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    6 and name  HE#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1997 ! spec=13CA, no=1997, id=2900, vol=1.270000e+05
    or (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   15 and name  HD#)
assign (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    6 and name  HE#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1997 ! spec=13CA, no=1997, id=2900, vol=1.270000e+05
    or (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   15 and name  HD#)
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    6 and name  HE#) 3.756 1.763 1.763 weight 1.000 spectrum  1 peak  1997 ! spec=13CA, no=1997, id=2900, vol=1.270000e+05
    or (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   15 and name  HD#)
assign (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   15 and name  HD#) 3.019 1.139 1.139 weight 1.000 spectrum  1 peak  2001 ! spec=13CA, no=2001, id=2904, vol=4.710000e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HE#)
    or (segid "   A" and resid    5 and name   HA) (segid "   B" and resid   15 and name  HD#)
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   15 and name  HD#) 3.019 1.139 1.139 weight 1.000 spectrum  1 peak  2001 ! spec=13CA, no=2001, id=2904, vol=4.710000e+05
    or (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    6 and name  HE#)
    or (segid "   B" and resid    5 and name   HA) (segid "   A" and resid   15 and name  HD#)
assign (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   15 and name  HD#) 3.019 1.139 1.139 weight 1.000 spectrum  1 peak  2001 ! spec=13CA, no=2001, id=2904, vol=4.710000e+05
    or (segid "   C" and resid    5 and name   HA) (segid "   C" and resid    6 and name  HE#)
    or (segid "   C" and resid    5 and name   HA) (segid "   D" and resid   15 and name  HD#)
assign (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   15 and name  HD#) 3.019 1.139 1.139 weight 1.000 spectrum  1 peak  2001 ! spec=13CA, no=2001, id=2904, vol=4.710000e+05
    or (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    6 and name  HE#)
    or (segid "   D" and resid    5 and name   HA) (segid "   C" and resid   15 and name  HD#)
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid   15 and name  HD#) 3.325 1.382 1.382 weight 1.000 spectrum  1 peak  2003 ! spec=13CA, no=2003, id=2906, vol=2.640000e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HE#)
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid   15 and name  HD#) 3.325 1.382 1.382 weight 1.000 spectrum  1 peak  2003 ! spec=13CA, no=2003, id=2906, vol=2.640000e+05
    or (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    6 and name  HE#)
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid   15 and name  HD#) 3.325 1.382 1.382 weight 1.000 spectrum  1 peak  2003 ! spec=13CA, no=2003, id=2906, vol=2.640000e+05
    or (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HE#)
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid   15 and name  HD#) 3.325 1.382 1.382 weight 1.000 spectrum  1 peak  2003 ! spec=13CA, no=2003, id=2906, vol=2.640000e+05
    or (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    6 and name  HE#)
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HE#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  2005 ! spec=13CA, no=2005, id=2908, vol=1.730000e+05
    or (segid "   A" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HE#)
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HE#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  2005 ! spec=13CA, no=2005, id=2908, vol=1.730000e+05
    or (segid "   B" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HE#)
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HE#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  2005 ! spec=13CA, no=2005, id=2908, vol=1.730000e+05
    or (segid "   C" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HE#)
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HE#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  2005 ! spec=13CA, no=2005, id=2908, vol=1.730000e+05
    or (segid "   D" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HE#)
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HE#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak  2006 ! spec=13CA, no=2006, id=2909, vol=1.700000e+05
    or (segid "   A" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HE#)
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HE#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak  2006 ! spec=13CA, no=2006, id=2909, vol=1.700000e+05
    or (segid "   B" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HE#)
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HE#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak  2006 ! spec=13CA, no=2006, id=2909, vol=1.700000e+05
    or (segid "   C" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HE#)
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HE#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak  2006 ! spec=13CA, no=2006, id=2909, vol=1.700000e+05
    or (segid "   D" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HE#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name HE2#) 3.585 1.606 1.606 weight 1.000 spectrum  1 peak  2019 ! spec=13CA, no=2019, id=2921, vol=1.680000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   39 and name  HE#)
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name HE2#) 3.585 1.606 1.606 weight 1.000 spectrum  1 peak  2019 ! spec=13CA, no=2019, id=2921, vol=1.680000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   39 and name  HE#)
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name HE2#) 3.585 1.606 1.606 weight 1.000 spectrum  1 peak  2019 ! spec=13CA, no=2019, id=2921, vol=1.680000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   39 and name  HE#)
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name HE2#) 3.585 1.606 1.606 weight 1.000 spectrum  1 peak  2019 ! spec=13CA, no=2019, id=2921, vol=1.680000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   39 and name  HE#)
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   14 and name HD2#) 3.781 1.787 1.787 weight 1.000 spectrum  1 peak  2020 ! spec=13CA, no=2020, id=2922, vol=1.220000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name HE2#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   39 and name  HE#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   44 and name HE2#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   14 and name HD2#) 3.781 1.787 1.787 weight 1.000 spectrum  1 peak  2020 ! spec=13CA, no=2020, id=2922, vol=1.220000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name HE2#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   39 and name  HE#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   44 and name HE2#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   14 and name HD2#) 3.781 1.787 1.787 weight 1.000 spectrum  1 peak  2020 ! spec=13CA, no=2020, id=2922, vol=1.220000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name HE2#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   39 and name  HE#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   44 and name HE2#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   14 and name HD2#) 3.781 1.787 1.787 weight 1.000 spectrum  1 peak  2020 ! spec=13CA, no=2020, id=2922, vol=1.220000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name HE2#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   39 and name  HE#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   44 and name HE2#)
assign (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   44 and name HE2#) 4.038 2.038 2.038 weight 1.000 spectrum  1 peak  2033 ! spec=13CA, no=2033, id=2935, vol=8.230000e+04
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name HE2#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   44 and name HE2#) 4.038 2.038 2.038 weight 1.000 spectrum  1 peak  2033 ! spec=13CA, no=2033, id=2935, vol=8.230000e+04
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name HE2#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   44 and name HE2#) 4.038 2.038 2.038 weight 1.000 spectrum  1 peak  2033 ! spec=13CA, no=2033, id=2935, vol=8.230000e+04
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name HE2#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   44 and name HE2#) 4.038 2.038 2.038 weight 1.000 spectrum  1 peak  2033 ! spec=13CA, no=2033, id=2935, vol=8.230000e+04
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name HE2#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   41 and name HE2#) 3.225 1.300 1.300 weight 1.000 spectrum  1 peak  2034 ! spec=13CA, no=2034, id=2936, vol=3.170000e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HE#)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name HE2#)
assign (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   41 and name HE2#) 3.225 1.300 1.300 weight 1.000 spectrum  1 peak  2034 ! spec=13CA, no=2034, id=2936, vol=3.170000e+05
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   39 and name  HE#)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name HE2#)
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   41 and name HE2#) 3.225 1.300 1.300 weight 1.000 spectrum  1 peak  2034 ! spec=13CA, no=2034, id=2936, vol=3.170000e+05
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   39 and name  HE#)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name HE2#)
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   41 and name HE2#) 3.225 1.300 1.300 weight 1.000 spectrum  1 peak  2034 ! spec=13CA, no=2034, id=2936, vol=3.170000e+05
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HE#)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name HE2#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    6 and name  HD#) 3.537 1.564 1.564 weight 1.000 spectrum  1 peak  2044 ! spec=13CA, no=2044, id=2946, vol=1.820000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    6 and name  HD#) 3.537 1.564 1.564 weight 1.000 spectrum  1 peak  2044 ! spec=13CA, no=2044, id=2946, vol=1.820000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    6 and name  HD#) 3.537 1.564 1.564 weight 1.000 spectrum  1 peak  2044 ! spec=13CA, no=2044, id=2946, vol=1.820000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    6 and name  HD#) 3.537 1.564 1.564 weight 1.000 spectrum  1 peak  2044 ! spec=13CA, no=2044, id=2946, vol=1.820000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   43 and name HE2#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  2050 ! spec=13CA, no=2050, id=2951, vol=3.020000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    6 and name  HD#)
    or (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   39 and name  HD#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   43 and name HE2#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  2050 ! spec=13CA, no=2050, id=2951, vol=3.020000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    6 and name  HD#)
    or (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   39 and name  HD#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   43 and name HE2#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  2050 ! spec=13CA, no=2050, id=2951, vol=3.020000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    6 and name  HD#)
    or (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   39 and name  HD#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   43 and name HE2#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  2050 ! spec=13CA, no=2050, id=2951, vol=3.020000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    6 and name  HD#)
    or (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   39 and name  HD#)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HD#) 3.482 1.516 1.894 weight 1.000 spectrum  1 peak  2057 ! spec=13CA, no=2057, id=2957, vol=2.000000e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   B" and resid    6 and name  HD#)
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    6 and name  HD#) 3.482 1.516 1.894 weight 1.000 spectrum  1 peak  2057 ! spec=13CA, no=2057, id=2957, vol=2.000000e+05
    or (segid "   B" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HD#)
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    6 and name  HD#) 3.482 1.516 1.894 weight 1.000 spectrum  1 peak  2057 ! spec=13CA, no=2057, id=2957, vol=2.000000e+05
    or (segid "   C" and resid    7 and name   HA) (segid "   D" and resid    6 and name  HD#)
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    6 and name  HD#) 3.482 1.516 1.894 weight 1.000 spectrum  1 peak  2057 ! spec=13CA, no=2057, id=2957, vol=2.000000e+05
    or (segid "   D" and resid    7 and name   HA) (segid "   C" and resid    6 and name  HD#)
assign (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   39 and name  HD#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak  2062 ! spec=13CA, no=2062, id=2962, vol=1.880000e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   43 and name HE2#)
assign (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   39 and name  HD#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak  2062 ! spec=13CA, no=2062, id=2962, vol=1.880000e+05
    or (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   43 and name HE2#)
assign (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   39 and name  HD#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak  2062 ! spec=13CA, no=2062, id=2962, vol=1.880000e+05
    or (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   43 and name HE2#)
assign (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   39 and name  HD#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak  2062 ! spec=13CA, no=2062, id=2962, vol=1.880000e+05
    or (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   43 and name HE2#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   43 and name HE2#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak  2065 ! spec=13CA, no=2065, id=2965, vol=1.830000e+05
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   39 and name  HD#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   43 and name HE2#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak  2065 ! spec=13CA, no=2065, id=2965, vol=1.830000e+05
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   39 and name  HD#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   43 and name HE2#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak  2065 ! spec=13CA, no=2065, id=2965, vol=1.830000e+05
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   39 and name  HD#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   43 and name HE2#) 3.534 1.561 1.561 weight 1.000 spectrum  1 peak  2065 ! spec=13CA, no=2065, id=2965, vol=1.830000e+05
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   39 and name  HD#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   39 and name  HD#) 3.909 1.910 1.910 weight 1.000 spectrum  1 peak  2073 ! spec=13CA, no=2073, id=2973, vol=9.990000e+04
    or (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   43 and name HE2#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   C" and resid   39 and name  HD#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   39 and name  HD#) 3.909 1.910 1.910 weight 1.000 spectrum  1 peak  2073 ! spec=13CA, no=2073, id=2973, vol=9.990000e+04
    or (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   43 and name HE2#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   D" and resid   39 and name  HD#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   39 and name  HD#) 3.909 1.910 1.910 weight 1.000 spectrum  1 peak  2073 ! spec=13CA, no=2073, id=2973, vol=9.990000e+04
    or (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   43 and name HE2#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   A" and resid   39 and name  HD#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   39 and name  HD#) 3.909 1.910 1.910 weight 1.000 spectrum  1 peak  2073 ! spec=13CA, no=2073, id=2973, vol=9.990000e+04
    or (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   43 and name HE2#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   B" and resid   39 and name  HD#)
assign (segid "   A" and resid   26 and name  HB#) (segid "   C" and resid   39 and name  HD#) 3.653 1.668 1.668 weight 1.000 spectrum  1 peak  2074 ! spec=13CA, no=2074, id=2974, vol=1.500000e+05
    or (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   B" and resid   26 and name  HB#) (segid "   D" and resid   39 and name  HD#) 3.653 1.668 1.668 weight 1.000 spectrum  1 peak  2074 ! spec=13CA, no=2074, id=2974, vol=1.500000e+05
    or (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   C" and resid   26 and name  HB#) (segid "   A" and resid   39 and name  HD#) 3.653 1.668 1.668 weight 1.000 spectrum  1 peak  2074 ! spec=13CA, no=2074, id=2974, vol=1.500000e+05
    or (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   D" and resid   26 and name  HB#) (segid "   B" and resid   39 and name  HD#) 3.653 1.668 1.668 weight 1.000 spectrum  1 peak  2074 ! spec=13CA, no=2074, id=2974, vol=1.500000e+05
    or (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   15 and name  HE#) 2.982 1.112 1.627 weight 1.000 spectrum  1 peak  2084 ! spec=13CA, no=2084, id=2984, vol=5.070000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    8 and name HE2#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   15 and name  HE#) 2.982 1.112 1.627 weight 1.000 spectrum  1 peak  2084 ! spec=13CA, no=2084, id=2984, vol=5.070000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    8 and name HE2#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   15 and name  HE#) 2.982 1.112 1.627 weight 1.000 spectrum  1 peak  2084 ! spec=13CA, no=2084, id=2984, vol=5.070000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    8 and name HE2#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   15 and name  HE#) 2.982 1.112 1.627 weight 1.000 spectrum  1 peak  2084 ! spec=13CA, no=2084, id=2984, vol=5.070000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    8 and name HE2#)
assign (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid   15 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  2089 ! spec=13CA, no=2089, id=2989, vol=1.450000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    8 and name HE2#)
assign (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid   15 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  2089 ! spec=13CA, no=2089, id=2989, vol=1.450000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    8 and name HE2#)
assign (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid   15 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  2089 ! spec=13CA, no=2089, id=2989, vol=1.450000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    8 and name HE2#)
assign (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid   15 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  2089 ! spec=13CA, no=2089, id=2989, vol=1.450000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    8 and name HE2#)
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name HE2#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2092 ! spec=13CA, no=2092, id=2992, vol=8.950000e+04
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid   15 and name  HE#)
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name HE2#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2092 ! spec=13CA, no=2092, id=2992, vol=8.950000e+04
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid   15 and name  HE#)
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name HE2#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2092 ! spec=13CA, no=2092, id=2992, vol=8.950000e+04
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid   15 and name  HE#)
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name HE2#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2092 ! spec=13CA, no=2092, id=2992, vol=8.950000e+04
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid   15 and name  HE#)
assign (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   15 and name  HE#) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  2093 ! spec=13CA, no=2093, id=2993, vol=1.320000e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   B" and resid   15 and name  HE#)
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   15 and name  HE#) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  2093 ! spec=13CA, no=2093, id=2993, vol=1.320000e+05
    or (segid "   B" and resid    5 and name   HA) (segid "   A" and resid   15 and name  HE#)
assign (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   15 and name  HE#) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  2093 ! spec=13CA, no=2093, id=2993, vol=1.320000e+05
    or (segid "   C" and resid    5 and name   HA) (segid "   D" and resid   15 and name  HE#)
assign (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   15 and name  HE#) 3.732 1.741 1.741 weight 1.000 spectrum  1 peak  2093 ! spec=13CA, no=2093, id=2993, vol=1.320000e+05
    or (segid "   D" and resid    5 and name   HA) (segid "   C" and resid   15 and name  HE#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid   10 and name   HE) 3.947 1.947 2.080 weight 1.000 spectrum  1 peak  2102 ! spec=13CA, no=2102, id=3002, vol=9.430000e+04
    or (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid   15 and name   HZ)
    or (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   15 and name   HZ)
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   15 and name   HZ)
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   20 and name   HN)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid   10 and name   HE) 3.947 1.947 2.080 weight 1.000 spectrum  1 peak  2102 ! spec=13CA, no=2102, id=3002, vol=9.430000e+04
    or (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid   15 and name   HZ)
    or (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   15 and name   HZ)
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   15 and name   HZ)
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   20 and name   HN)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid   10 and name   HE) 3.947 1.947 2.080 weight 1.000 spectrum  1 peak  2102 ! spec=13CA, no=2102, id=3002, vol=9.430000e+04
    or (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid   15 and name   HZ)
    or (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   15 and name   HZ)
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   15 and name   HZ)
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   20 and name   HN)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid   10 and name   HE) 3.947 1.947 2.080 weight 1.000 spectrum  1 peak  2102 ! spec=13CA, no=2102, id=3002, vol=9.430000e+04
    or (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid   15 and name   HZ)
    or (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   15 and name   HZ)
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   15 and name   HZ)
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   20 and name   HN)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name   HZ) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak  2103 ! spec=13CA, no=2103, id=3003, vol=3.960000e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name   HZ) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak  2103 ! spec=13CA, no=2103, id=3003, vol=3.960000e+05
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name  HG#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name   HZ) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak  2103 ! spec=13CA, no=2103, id=3003, vol=3.960000e+05
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HG#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name   HZ) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak  2103 ! spec=13CA, no=2103, id=3003, vol=3.960000e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name  HG#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HG#) 4.009 2.009 2.009 weight 1.000 spectrum  1 peak  2134 ! spec=13CA, no=2134, id=3033, vol=8.590000e+04
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HG#)
    or (segid "   A" and resid   19 and name  HG#) (segid "   C" and resid   47 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name  HG#) 4.009 2.009 2.009 weight 1.000 spectrum  1 peak  2134 ! spec=13CA, no=2134, id=3033, vol=8.590000e+04
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name  HG#)
    or (segid "   B" and resid   19 and name  HG#) (segid "   D" and resid   47 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name  HG#) 4.009 2.009 2.009 weight 1.000 spectrum  1 peak  2134 ! spec=13CA, no=2134, id=3033, vol=8.590000e+04
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name  HG#)
    or (segid "   C" and resid   19 and name  HG#) (segid "   A" and resid   47 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name  HG#) 4.009 2.009 2.009 weight 1.000 spectrum  1 peak  2134 ! spec=13CA, no=2134, id=3033, vol=8.590000e+04
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name  HG#)
    or (segid "   D" and resid   19 and name  HG#) (segid "   B" and resid   47 and name   HN)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB#) 4.003 2.003 2.003 weight 1.000 spectrum  1 peak  2136 ! spec=13CA, no=2136, id=3035, vol=8.670000e+04
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB#)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name  HB#) 4.003 2.003 2.003 weight 1.000 spectrum  1 peak  2136 ! spec=13CA, no=2136, id=3035, vol=8.670000e+04
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name  HB#)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name  HB#) 4.003 2.003 2.003 weight 1.000 spectrum  1 peak  2136 ! spec=13CA, no=2136, id=3035, vol=8.670000e+04
    or (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HB#)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name  HB#) 4.003 2.003 2.003 weight 1.000 spectrum  1 peak  2136 ! spec=13CA, no=2136, id=3035, vol=8.670000e+04
    or (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   48 and name  HB#)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   43 and name  HG#) 4.012 2.012 2.012 weight 1.000 spectrum  1 peak  2142 ! spec=13CA, no=2142, id=3041, vol=8.550000e+04
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   23 and name   HN)
    or (segid "   A" and resid    8 and name  HG#) (segid "   D" and resid   47 and name   HN)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   43 and name  HG#) 4.012 2.012 2.012 weight 1.000 spectrum  1 peak  2142 ! spec=13CA, no=2142, id=3041, vol=8.550000e+04
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   23 and name   HN)
    or (segid "   B" and resid    8 and name  HG#) (segid "   C" and resid   47 and name   HN)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   43 and name  HG#) 4.012 2.012 2.012 weight 1.000 spectrum  1 peak  2142 ! spec=13CA, no=2142, id=3041, vol=8.550000e+04
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   23 and name   HN)
    or (segid "   C" and resid    8 and name  HG#) (segid "   B" and resid   47 and name   HN)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   43 and name  HG#) 4.012 2.012 2.012 weight 1.000 spectrum  1 peak  2142 ! spec=13CA, no=2142, id=3041, vol=8.550000e+04
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   23 and name   HN)
    or (segid "   D" and resid    8 and name  HG#) (segid "   A" and resid   47 and name   HN)

assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 3.682 1.695 1.695 weight 1.000 spectrum  1 peak  2148 ! spec=13CA, no=2148, id=3047, vol=1.430000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   22 and name   HA) 3.682 1.695 1.695 weight 1.000 spectrum  1 peak  2148 ! spec=13CA, no=2148, id=3047, vol=1.430000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   22 and name   HA) 3.682 1.695 1.695 weight 1.000 spectrum  1 peak  2148 ! spec=13CA, no=2148, id=3047, vol=1.430000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   22 and name   HA) 3.682 1.695 1.695 weight 1.000 spectrum  1 peak  2148 ! spec=13CA, no=2148, id=3047, vol=1.430000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG#) 3.015 1.136 1.136 weight 1.000 spectrum  1 peak  2164 ! spec=13CA, no=2164, id=3062, vol=4.750000e+05
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name   HN)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HG#) 3.015 1.136 1.136 weight 1.000 spectrum  1 peak  2164 ! spec=13CA, no=2164, id=3062, vol=4.750000e+05
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name   HN)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HG#) 3.015 1.136 1.136 weight 1.000 spectrum  1 peak  2164 ! spec=13CA, no=2164, id=3062, vol=4.750000e+05
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name   HN)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HG#) 3.015 1.136 1.136 weight 1.000 spectrum  1 peak  2164 ! spec=13CA, no=2164, id=3062, vol=4.750000e+05
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   25 and name   HN) 4.288 2.298 2.298 weight 1.000 spectrum  2 peak     7 ! spec=13CARO, no=7, id=3078, vol=2.400000e+04
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   26 and name   HN)
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   25 and name   HN) 4.288 2.298 2.298 weight 1.000 spectrum  2 peak     7 ! spec=13CARO, no=7, id=3078, vol=2.400000e+04
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   26 and name   HN)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   25 and name   HN) 4.288 2.298 2.298 weight 1.000 spectrum  2 peak     7 ! spec=13CARO, no=7, id=3078, vol=2.400000e+04
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   26 and name   HN)
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   25 and name   HN) 4.288 2.298 2.298 weight 1.000 spectrum  2 peak     7 ! spec=13CARO, no=7, id=3078, vol=2.400000e+04
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   26 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   14 and name   HN) 3.866 1.868 1.868 weight 1.000 spectrum  2 peak     9 ! spec=13CARO, no=9, id=3080, vol=4.470000e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HN)
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   14 and name   HN) 3.866 1.868 1.868 weight 1.000 spectrum  2 peak     9 ! spec=13CARO, no=9, id=3080, vol=4.470000e+04
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   22 and name   HN)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   14 and name   HN) 3.866 1.868 1.868 weight 1.000 spectrum  2 peak     9 ! spec=13CARO, no=9, id=3080, vol=4.470000e+04
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   22 and name   HN)
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   14 and name   HN) 3.866 1.868 1.868 weight 1.000 spectrum  2 peak     9 ! spec=13CARO, no=9, id=3080, vol=4.470000e+04
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   22 and name   HN)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.689 0.904 0.904 weight 1.000 spectrum  2 peak    10 ! spec=13CARO, no=10, id=3081, vol=3.950000e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name   HN) 2.689 0.904 0.904 weight 1.000 spectrum  2 peak    10 ! spec=13CARO, no=10, id=3081, vol=3.950000e+05
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   38 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name   HN) 2.689 0.904 0.904 weight 1.000 spectrum  2 peak    10 ! spec=13CARO, no=10, id=3081, vol=3.950000e+05
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   38 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name   HN) 2.689 0.904 0.904 weight 1.000 spectrum  2 peak    10 ! spec=13CARO, no=10, id=3081, vol=3.950000e+05
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   38 and name   HN)
assign (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   14 and name HD2#) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    23 ! spec=13CARO, no=23, id=3094, vol=9.660000e+04
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   39 and name  HE#)
assign (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   14 and name HD2#) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    23 ! spec=13CARO, no=23, id=3094, vol=9.660000e+04
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   39 and name  HE#)
assign (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   14 and name HD2#) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    23 ! spec=13CARO, no=23, id=3094, vol=9.660000e+04
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   39 and name  HE#)
assign (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   14 and name HD2#) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    23 ! spec=13CARO, no=23, id=3094, vol=9.660000e+04
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   39 and name  HE#)
assign (segid "   A" and resid   23 and name   HN) (segid "   C" and resid   39 and name  HE#) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    24 ! spec=13CARO, no=24, id=3095, vol=7.230000e+04
    or (segid "   A" and resid   47 and name   HN) (segid "   D" and resid    8 and name HE2#)
    or (segid "   A" and resid   48 and name   HN) (segid "   D" and resid    8 and name HE2#)
assign (segid "   B" and resid   23 and name   HN) (segid "   D" and resid   39 and name  HE#) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    24 ! spec=13CARO, no=24, id=3095, vol=7.230000e+04
    or (segid "   B" and resid   47 and name   HN) (segid "   C" and resid    8 and name HE2#)
    or (segid "   B" and resid   48 and name   HN) (segid "   C" and resid    8 and name HE2#)
assign (segid "   C" and resid   23 and name   HN) (segid "   A" and resid   39 and name  HE#) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    24 ! spec=13CARO, no=24, id=3095, vol=7.230000e+04
    or (segid "   C" and resid   47 and name   HN) (segid "   B" and resid    8 and name HE2#)
    or (segid "   C" and resid   48 and name   HN) (segid "   B" and resid    8 and name HE2#)
assign (segid "   D" and resid   23 and name   HN) (segid "   B" and resid   39 and name  HE#) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    24 ! spec=13CARO, no=24, id=3095, vol=7.230000e+04
    or (segid "   D" and resid   47 and name   HN) (segid "   A" and resid    8 and name HE2#)
    or (segid "   D" and resid   48 and name   HN) (segid "   A" and resid    8 and name HE2#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD2#) 3.824 1.828 1.828 weight 1.000 spectrum  2 peak    25 ! spec=13CARO, no=25, id=3096, vol=4.770000e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   C" and resid   39 and name  HE#)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name HE2#)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name HE2#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   39 and name  HE#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name HE2#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name HD2#) 3.824 1.828 1.828 weight 1.000 spectrum  2 peak    25 ! spec=13CARO, no=25, id=3096, vol=4.770000e+04
    or (segid "   B" and resid   24 and name   HN) (segid "   D" and resid   39 and name  HE#)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name HE2#)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name HE2#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   39 and name  HE#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name HE2#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name HD2#) 3.824 1.828 1.828 weight 1.000 spectrum  2 peak    25 ! spec=13CARO, no=25, id=3096, vol=4.770000e+04
    or (segid "   C" and resid   24 and name   HN) (segid "   A" and resid   39 and name  HE#)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name HE2#)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name HE2#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   39 and name  HE#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name HE2#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name HD2#) 3.824 1.828 1.828 weight 1.000 spectrum  2 peak    25 ! spec=13CARO, no=25, id=3096, vol=4.770000e+04
    or (segid "   D" and resid   24 and name   HN) (segid "   B" and resid   39 and name  HE#)
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name HE2#)
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name HE2#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   39 and name  HE#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name HE2#)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name HE2#) 4.658 2.712 2.712 weight 1.000 spectrum  2 peak    27 ! spec=13CARO, no=27, id=3098, vol=1.460000e+04
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   15 and name  HE#)
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name HE2#) 4.658 2.712 2.712 weight 1.000 spectrum  2 peak    27 ! spec=13CARO, no=27, id=3098, vol=1.460000e+04
    or (segid "   B" and resid    9 and name   HN) (segid "   B" and resid   15 and name  HE#)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name HE2#) 4.658 2.712 2.712 weight 1.000 spectrum  2 peak    27 ! spec=13CARO, no=27, id=3098, vol=1.460000e+04
    or (segid "   C" and resid    9 and name   HN) (segid "   C" and resid   15 and name  HE#)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name HE2#) 4.658 2.712 2.712 weight 1.000 spectrum  2 peak    27 ! spec=13CARO, no=27, id=3098, vol=1.460000e+04
    or (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name  HE#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HE#) 3.764 1.770 1.770 weight 1.000 spectrum  2 peak    29 ! spec=13CARO, no=29, id=3100, vol=5.250000e+04
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid   15 and name  HD#)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HE#) 3.764 1.770 1.770 weight 1.000 spectrum  2 peak    29 ! spec=13CARO, no=29, id=3100, vol=5.250000e+04
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid   15 and name  HD#)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HE#) 3.764 1.770 1.770 weight 1.000 spectrum  2 peak    29 ! spec=13CARO, no=29, id=3100, vol=5.250000e+04
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid   15 and name  HD#)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HE#) 3.764 1.770 1.770 weight 1.000 spectrum  2 peak    29 ! spec=13CARO, no=29, id=3100, vol=5.250000e+04
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid   15 and name  HD#)
assign (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   39 and name  HD#) 4.395 2.414 2.414 weight 1.000 spectrum  2 peak    32 ! spec=13CARO, no=32, id=3103, vol=2.070000e+04
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   39 and name  HD#)
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   43 and name HE2#)
assign (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   39 and name  HD#) 4.395 2.414 2.414 weight 1.000 spectrum  2 peak    32 ! spec=13CARO, no=32, id=3103, vol=2.070000e+04
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   39 and name  HD#)
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   43 and name HE2#)
assign (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   39 and name  HD#) 4.395 2.414 2.414 weight 1.000 spectrum  2 peak    32 ! spec=13CARO, no=32, id=3103, vol=2.070000e+04
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   39 and name  HD#)
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   43 and name HE2#)
assign (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   39 and name  HD#) 4.395 2.414 2.414 weight 1.000 spectrum  2 peak    32 ! spec=13CARO, no=32, id=3103, vol=2.070000e+04
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   39 and name  HD#)
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   43 and name HE2#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name   HN) 4.177 2.181 2.181 weight 1.000 spectrum  2 peak    33 ! spec=13CARO, no=33, id=3104, vol=2.810000e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   21 and name   HN)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   21 and name   HN)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   21 and name   HN) 4.177 2.181 2.181 weight 1.000 spectrum  2 peak    33 ! spec=13CARO, no=33, id=3104, vol=2.810000e+04
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   21 and name   HN)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   21 and name   HN)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   21 and name   HN) 4.177 2.181 2.181 weight 1.000 spectrum  2 peak    33 ! spec=13CARO, no=33, id=3104, vol=2.810000e+04
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   21 and name   HN)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   21 and name   HN)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   21 and name   HN) 4.177 2.181 2.181 weight 1.000 spectrum  2 peak    33 ! spec=13CARO, no=33, id=3104, vol=2.810000e+04
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   21 and name   HN)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   21 and name   HN)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   23 and name   HN) 4.315 2.328 2.328 weight 1.000 spectrum  2 peak    34 ! spec=13CARO, no=34, id=3105, vol=2.310000e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   30 and name   HN)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   23 and name   HN) 4.315 2.328 2.328 weight 1.000 spectrum  2 peak    34 ! spec=13CARO, no=34, id=3105, vol=2.310000e+04
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   30 and name   HN)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   23 and name   HN) 4.315 2.328 2.328 weight 1.000 spectrum  2 peak    34 ! spec=13CARO, no=34, id=3105, vol=2.310000e+04
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   30 and name   HN)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   23 and name   HN) 4.315 2.328 2.328 weight 1.000 spectrum  2 peak    34 ! spec=13CARO, no=34, id=3105, vol=2.310000e+04
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   30 and name   HN)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name   HN) 3.545 1.571 1.571 weight 1.000 spectrum  2 peak    43 ! spec=13CARO, no=43, id=3108, vol=7.520000e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HN)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name   HN) 3.545 1.571 1.571 weight 1.000 spectrum  2 peak    43 ! spec=13CARO, no=43, id=3108, vol=7.520000e+04
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name   HN)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name   HN) 3.545 1.571 1.571 weight 1.000 spectrum  2 peak    43 ! spec=13CARO, no=43, id=3108, vol=7.520000e+04
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name   HN)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name   HN) 3.545 1.571 1.571 weight 1.000 spectrum  2 peak    43 ! spec=13CARO, no=43, id=3108, vol=7.520000e+04
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name   HN)
assign (segid "   A" and resid   47 and name   HN) (segid "   D" and resid    8 and name HE2#) 4.131 2.134 2.134 weight 1.000 spectrum  2 peak    46 ! spec=13CARO, no=46, id=3111, vol=3.000000e+04
    or (segid "   A" and resid   48 and name   HN) (segid "   D" and resid    8 and name HE2#)
assign (segid "   B" and resid   47 and name   HN) (segid "   C" and resid    8 and name HE2#) 4.131 2.134 2.134 weight 1.000 spectrum  2 peak    46 ! spec=13CARO, no=46, id=3111, vol=3.000000e+04
    or (segid "   B" and resid   48 and name   HN) (segid "   C" and resid    8 and name HE2#)
assign (segid "   C" and resid   47 and name   HN) (segid "   B" and resid    8 and name HE2#) 4.131 2.134 2.134 weight 1.000 spectrum  2 peak    46 ! spec=13CARO, no=46, id=3111, vol=3.000000e+04
    or (segid "   C" and resid   48 and name   HN) (segid "   B" and resid    8 and name HE2#)
assign (segid "   D" and resid   47 and name   HN) (segid "   A" and resid    8 and name HE2#) 4.131 2.134 2.134 weight 1.000 spectrum  2 peak    46 ! spec=13CARO, no=46, id=3111, vol=3.000000e+04
    or (segid "   D" and resid   48 and name   HN) (segid "   A" and resid    8 and name HE2#)
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    6 and name  HE#) 3.825 1.829 1.829 weight 1.000 spectrum  2 peak    47 ! spec=13CARO, no=47, id=3112, vol=4.760000e+04
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name  HD#)
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HE#) 3.825 1.829 1.829 weight 1.000 spectrum  2 peak    47 ! spec=13CARO, no=47, id=3112, vol=4.760000e+04
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   15 and name  HD#)
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    6 and name  HE#) 3.825 1.829 1.829 weight 1.000 spectrum  2 peak    47 ! spec=13CARO, no=47, id=3112, vol=4.760000e+04
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   15 and name  HD#)
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    6 and name  HE#) 3.825 1.829 1.829 weight 1.000 spectrum  2 peak    47 ! spec=13CARO, no=47, id=3112, vol=4.760000e+04
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   15 and name  HD#)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HE#) 3.288 1.352 1.352 weight 1.000 spectrum  2 peak    56 ! spec=13CARO, no=56, id=3121, vol=1.180000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    6 and name  HE#) 3.288 1.352 1.352 weight 1.000 spectrum  2 peak    56 ! spec=13CARO, no=56, id=3121, vol=1.180000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HE#) 3.288 1.352 1.352 weight 1.000 spectrum  2 peak    56 ! spec=13CARO, no=56, id=3121, vol=1.180000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    6 and name  HE#) 3.288 1.352 1.352 weight 1.000 spectrum  2 peak    56 ! spec=13CARO, no=56, id=3121, vol=1.180000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HD#) 3.322 3.322 2.678 weight 1.000 spectrum  2 peak    59 ! spec=13CARO, no=59, id=3124, vol=1.110000e+05
    or (segid "   A" and resid    6 and name  HD#) (segid "   B" and resid    7 and name   HA)
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    6 and name  HD#) 3.322 3.322 2.678 weight 1.000 spectrum  2 peak    59 ! spec=13CARO, no=59, id=3124, vol=1.110000e+05
    or (segid "   B" and resid    6 and name  HD#) (segid "   A" and resid    7 and name   HA)
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    6 and name  HD#) 3.322 3.322 2.678 weight 1.000 spectrum  2 peak    59 ! spec=13CARO, no=59, id=3124, vol=1.110000e+05
    or (segid "   C" and resid    6 and name  HD#) (segid "   D" and resid    7 and name   HA)
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    6 and name  HD#) 3.322 3.322 2.678 weight 1.000 spectrum  2 peak    59 ! spec=13CARO, no=59, id=3124, vol=1.110000e+05
    or (segid "   D" and resid    6 and name  HD#) (segid "   C" and resid    7 and name   HA)
assign (segid "   A" and resid    8 and name HE2#) (segid "   B" and resid    6 and name   HA) 3.741 1.750 1.750 weight 1.000 spectrum  2 peak    60 ! spec=13CARO, no=60, id=3125, vol=5.440000e+04
    or (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    8 and name HE2#) (segid "   A" and resid    6 and name   HA) 3.741 1.750 1.750 weight 1.000 spectrum  2 peak    60 ! spec=13CARO, no=60, id=3125, vol=5.440000e+04
    or (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    8 and name HE2#) (segid "   D" and resid    6 and name   HA) 3.741 1.750 1.750 weight 1.000 spectrum  2 peak    60 ! spec=13CARO, no=60, id=3125, vol=5.440000e+04
    or (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    8 and name HE2#) (segid "   C" and resid    6 and name   HA) 3.741 1.750 1.750 weight 1.000 spectrum  2 peak    60 ! spec=13CARO, no=60, id=3125, vol=5.440000e+04
    or (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid    8 and name   HA) 4.511 2.544 2.544 weight 1.000 spectrum  2 peak    61 ! spec=13CARO, no=61, id=3126, vol=1.770000e+04
    or (segid "   A" and resid    8 and name HE2#) (segid "   A" and resid    8 and name   HA)
assign (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid    8 and name   HA) 4.511 2.544 2.544 weight 1.000 spectrum  2 peak    61 ! spec=13CARO, no=61, id=3126, vol=1.770000e+04
    or (segid "   B" and resid    8 and name HE2#) (segid "   B" and resid    8 and name   HA)
assign (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid    8 and name   HA) 4.511 2.544 2.544 weight 1.000 spectrum  2 peak    61 ! spec=13CARO, no=61, id=3126, vol=1.770000e+04
    or (segid "   C" and resid    8 and name HE2#) (segid "   C" and resid    8 and name   HA)
assign (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid    8 and name   HA) 4.511 2.544 2.544 weight 1.000 spectrum  2 peak    61 ! spec=13CARO, no=61, id=3126, vol=1.770000e+04
    or (segid "   D" and resid    8 and name HE2#) (segid "   D" and resid    8 and name   HA)
assign (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid   10 and name   HA) 4.578 2.620 2.620 weight 1.000 spectrum  2 peak    64 ! spec=13CARO, no=64, id=3129, vol=1.620000e+04
    or (segid "   A" and resid   15 and name  HD#) (segid "   A" and resid   10 and name   HA)
assign (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid   10 and name   HA) 4.578 2.620 2.620 weight 1.000 spectrum  2 peak    64 ! spec=13CARO, no=64, id=3129, vol=1.620000e+04
    or (segid "   B" and resid   15 and name  HD#) (segid "   B" and resid   10 and name   HA)
assign (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid   10 and name   HA) 4.578 2.620 2.620 weight 1.000 spectrum  2 peak    64 ! spec=13CARO, no=64, id=3129, vol=1.620000e+04
    or (segid "   C" and resid   15 and name  HD#) (segid "   C" and resid   10 and name   HA)
assign (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid   10 and name   HA) 4.578 2.620 2.620 weight 1.000 spectrum  2 peak    64 ! spec=13CARO, no=64, id=3129, vol=1.620000e+04
    or (segid "   D" and resid   15 and name  HD#) (segid "   D" and resid   10 and name   HA)
assign (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid   10 and name   HA) 2.816 0.991 0.991 weight 1.000 spectrum  2 peak    65 ! spec=13CARO, no=65, id=3130, vol=2.990000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   10 and name   HA)
assign (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid   10 and name   HA) 2.816 0.991 0.991 weight 1.000 spectrum  2 peak    65 ! spec=13CARO, no=65, id=3130, vol=2.990000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   10 and name   HA)
assign (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid   10 and name   HA) 2.816 0.991 0.991 weight 1.000 spectrum  2 peak    65 ! spec=13CARO, no=65, id=3130, vol=2.990000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   10 and name   HA)
assign (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid   10 and name   HA) 2.816 0.991 0.991 weight 1.000 spectrum  2 peak    65 ! spec=13CARO, no=65, id=3130, vol=2.990000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   10 and name   HA)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name  HD#) 2.513 0.790 0.950 weight 1.000 spectrum  2 peak    67 ! spec=13CARO, no=67, id=3132, vol=5.920000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   A" and resid    1 and name   HA)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    5 and name  HD#) 2.513 0.790 0.950 weight 1.000 spectrum  2 peak    67 ! spec=13CARO, no=67, id=3132, vol=5.920000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   B" and resid    1 and name   HA)
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    5 and name  HD#) 2.513 0.790 0.950 weight 1.000 spectrum  2 peak    67 ! spec=13CARO, no=67, id=3132, vol=5.920000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   C" and resid    1 and name   HA)
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    5 and name  HD#) 2.513 0.790 0.950 weight 1.000 spectrum  2 peak    67 ! spec=13CARO, no=67, id=3132, vol=5.920000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   D" and resid    1 and name   HA)
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    5 and name  HE#) (segid "   A" and resid    1 and name   HA) 2.955 1.092 1.226 weight 1.000 spectrum  2 peak    68 ! spec=13CARO, no=68, id=3133, vol=2.240000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HE#)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    5 and name  HE#) (segid "   B" and resid    1 and name   HA) 2.955 1.092 1.226 weight 1.000 spectrum  2 peak    68 ! spec=13CARO, no=68, id=3133, vol=2.240000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HE#)
    or (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    5 and name  HE#) (segid "   C" and resid    1 and name   HA) 2.955 1.092 1.226 weight 1.000 spectrum  2 peak    68 ! spec=13CARO, no=68, id=3133, vol=2.240000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HE#)
    or (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    5 and name  HE#) (segid "   D" and resid    1 and name   HA) 2.955 1.092 1.226 weight 1.000 spectrum  2 peak    68 ! spec=13CARO, no=68, id=3133, vol=2.240000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HE#)
    or (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    5 and name  HD#) (segid "   A" and resid    3 and name   HA) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak    70 ! spec=13CARO, no=70, id=3135, vol=1.640000e+05
    or (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid    9 and name   HA)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    5 and name  HD#) (segid "   B" and resid    3 and name   HA) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak    70 ! spec=13CARO, no=70, id=3135, vol=1.640000e+05
    or (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid    9 and name   HA)
    or (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    5 and name  HD#) (segid "   C" and resid    3 and name   HA) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak    70 ! spec=13CARO, no=70, id=3135, vol=1.640000e+05
    or (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid    9 and name   HA)
    or (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    5 and name  HD#) (segid "   D" and resid    3 and name   HA) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak    70 ! spec=13CARO, no=70, id=3135, vol=1.640000e+05
    or (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid    9 and name   HA)
    or (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    74 ! spec=13CARO, no=74, id=3139, vol=1.310000e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   B" and resid    2 and name   HA)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    74 ! spec=13CARO, no=74, id=3139, vol=1.310000e+05
    or (segid "   B" and resid   12 and name   HN) (segid "   A" and resid    2 and name   HA)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    74 ! spec=13CARO, no=74, id=3139, vol=1.310000e+05
    or (segid "   C" and resid   12 and name   HN) (segid "   D" and resid    2 and name   HA)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    74 ! spec=13CARO, no=74, id=3139, vol=1.310000e+05
    or (segid "   D" and resid   12 and name   HN) (segid "   C" and resid    2 and name   HA)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  2 peak    78 ! spec=13CARO, no=78, id=3143, vol=3.580000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  2 peak    78 ! spec=13CARO, no=78, id=3143, vol=3.580000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  2 peak    78 ! spec=13CARO, no=78, id=3143, vol=3.580000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    4 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  2 peak    78 ! spec=13CARO, no=78, id=3143, vol=3.580000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HA) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    79 ! spec=13CARO, no=79, id=3144, vol=7.230000e+04
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name   HA) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    79 ! spec=13CARO, no=79, id=3144, vol=7.230000e+04
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HA) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    79 ! spec=13CARO, no=79, id=3144, vol=7.230000e+04
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name   HA) 3.568 1.591 1.591 weight 1.000 spectrum  2 peak    79 ! spec=13CARO, no=79, id=3144, vol=7.230000e+04
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   23 and name   HA) 3.420 1.462 1.462 weight 1.000 spectrum  2 peak    87 ! spec=13CARO, no=87, id=3152, vol=9.320000e+04
    or (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    2 and name   HA)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   23 and name   HA) 3.420 1.462 1.462 weight 1.000 spectrum  2 peak    87 ! spec=13CARO, no=87, id=3152, vol=9.320000e+04
    or (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    2 and name   HA)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   23 and name   HA) 3.420 1.462 1.462 weight 1.000 spectrum  2 peak    87 ! spec=13CARO, no=87, id=3152, vol=9.320000e+04
    or (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    2 and name   HA)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   23 and name   HA) 3.420 1.462 1.462 weight 1.000 spectrum  2 peak    87 ! spec=13CARO, no=87, id=3152, vol=9.320000e+04
    or (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    2 and name   HA)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name   HA) 3.126 1.221 1.221 weight 1.000 spectrum  2 peak    89 ! spec=13CARO, no=89, id=3154, vol=1.600000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   21 and name   HA) 3.126 1.221 1.221 weight 1.000 spectrum  2 peak    89 ! spec=13CARO, no=89, id=3154, vol=1.600000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   23 and name   HA)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   21 and name   HA) 3.126 1.221 1.221 weight 1.000 spectrum  2 peak    89 ! spec=13CARO, no=89, id=3154, vol=1.600000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   23 and name   HA)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   21 and name   HA) 3.126 1.221 1.221 weight 1.000 spectrum  2 peak    89 ! spec=13CARO, no=89, id=3154, vol=1.600000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   23 and name   HA)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA) 3.002 1.126 1.126 weight 1.000 spectrum  2 peak    90 ! spec=13CARO, no=90, id=3155, vol=2.040000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name   HA)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   24 and name   HA) 3.002 1.126 1.126 weight 1.000 spectrum  2 peak    90 ! spec=13CARO, no=90, id=3155, vol=2.040000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   24 and name   HA)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name   HA) 3.002 1.126 1.126 weight 1.000 spectrum  2 peak    90 ! spec=13CARO, no=90, id=3155, vol=2.040000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   24 and name   HA)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name   HA) 3.002 1.126 1.126 weight 1.000 spectrum  2 peak    90 ! spec=13CARO, no=90, id=3155, vol=2.040000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   24 and name   HA)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB#) 3.196 1.277 1.277 weight 1.000 spectrum  2 peak    93 ! spec=13CARO, no=93, id=3158, vol=1.400000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   24 and name  HB#) 3.196 1.277 1.277 weight 1.000 spectrum  2 peak    93 ! spec=13CARO, no=93, id=3158, vol=1.400000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name  HB#) 3.196 1.277 1.277 weight 1.000 spectrum  2 peak    93 ! spec=13CARO, no=93, id=3158, vol=1.400000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name  HB#) 3.196 1.277 1.277 weight 1.000 spectrum  2 peak    93 ! spec=13CARO, no=93, id=3158, vol=1.400000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  2 peak    94 ! spec=13CARO, no=94, id=3159, vol=2.270000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   22 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  2 peak    94 ! spec=13CARO, no=94, id=3159, vol=2.270000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   22 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  2 peak    94 ! spec=13CARO, no=94, id=3159, vol=2.270000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   22 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  2 peak    94 ! spec=13CARO, no=94, id=3159, vol=2.270000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   22 and name  HE#) 4.447 2.472 2.472 weight 1.000 spectrum  2 peak    95 ! spec=13CARO, no=95, id=3160, vol=1.930000e+04
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   10 and name  HD#)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   10 and name  HD#)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HE#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid   22 and name  HE#) 4.447 2.472 2.472 weight 1.000 spectrum  2 peak    95 ! spec=13CARO, no=95, id=3160, vol=1.930000e+04
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   10 and name  HD#)
    or (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   10 and name  HD#)
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HE#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid   22 and name  HE#) 4.447 2.472 2.472 weight 1.000 spectrum  2 peak    95 ! spec=13CARO, no=95, id=3160, vol=1.930000e+04
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   10 and name  HD#)
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   10 and name  HD#)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HE#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid   22 and name  HE#) 4.447 2.472 2.472 weight 1.000 spectrum  2 peak    95 ! spec=13CARO, no=95, id=3160, vol=1.930000e+04
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   10 and name  HD#)
    or (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   10 and name  HD#)
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HE#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB#) 2.973 1.105 1.105 weight 1.000 spectrum  2 peak    97 ! spec=13CARO, no=97, id=3162, vol=2.160000e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB#) 2.973 1.105 1.105 weight 1.000 spectrum  2 peak    97 ! spec=13CARO, no=97, id=3162, vol=2.160000e+05
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB#) 2.973 1.105 1.105 weight 1.000 spectrum  2 peak    97 ! spec=13CARO, no=97, id=3162, vol=2.160000e+05
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HB#) 2.973 1.105 1.105 weight 1.000 spectrum  2 peak    97 ! spec=13CARO, no=97, id=3162, vol=2.160000e+05
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name  HG#) 4.100 2.101 2.101 weight 1.000 spectrum  2 peak   101 ! spec=13CARO, no=101, id=3166, vol=3.140000e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   28 and name  HG#) 4.100 2.101 2.101 weight 1.000 spectrum  2 peak   101 ! spec=13CARO, no=101, id=3166, vol=3.140000e+04
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   28 and name  HG#) 4.100 2.101 2.101 weight 1.000 spectrum  2 peak   101 ! spec=13CARO, no=101, id=3166, vol=3.140000e+04
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   28 and name  HG#) 4.100 2.101 2.101 weight 1.000 spectrum  2 peak   101 ! spec=13CARO, no=101, id=3166, vol=3.140000e+04
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HG#) 4.212 2.218 2.218 weight 1.000 spectrum  2 peak   102 ! spec=13CARO, no=102, id=3167, vol=2.670000e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   28 and name  HG#) 4.212 2.218 2.218 weight 1.000 spectrum  2 peak   102 ! spec=13CARO, no=102, id=3167, vol=2.670000e+04
    or (segid "   B" and resid   27 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   28 and name  HG#) 4.212 2.218 2.218 weight 1.000 spectrum  2 peak   102 ! spec=13CARO, no=102, id=3167, vol=2.670000e+04
    or (segid "   C" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   28 and name  HG#) 4.212 2.218 2.218 weight 1.000 spectrum  2 peak   102 ! spec=13CARO, no=102, id=3167, vol=2.670000e+04
    or (segid "   D" and resid   27 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.922 1.923 1.923 weight 1.000 spectrum  2 peak   103 ! spec=13CARO, no=103, id=3168, vol=4.100000e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.922 1.923 1.923 weight 1.000 spectrum  2 peak   103 ! spec=13CARO, no=103, id=3168, vol=4.100000e+04
    or (segid "   B" and resid   27 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.922 1.923 1.923 weight 1.000 spectrum  2 peak   103 ! spec=13CARO, no=103, id=3168, vol=4.100000e+04
    or (segid "   C" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.922 1.923 1.923 weight 1.000 spectrum  2 peak   103 ! spec=13CARO, no=103, id=3168, vol=4.100000e+04
    or (segid "   D" and resid   27 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HG#) 4.019 2.019 2.019 weight 1.000 spectrum  2 peak   104 ! spec=13CARO, no=104, id=3169, vol=3.540000e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name  HG#)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name  HG#)
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   23 and name  HG#) 4.019 2.019 2.019 weight 1.000 spectrum  2 peak   104 ! spec=13CARO, no=104, id=3169, vol=3.540000e+04
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   23 and name  HG#)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   28 and name  HG#)
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   23 and name  HG#) 4.019 2.019 2.019 weight 1.000 spectrum  2 peak   104 ! spec=13CARO, no=104, id=3169, vol=3.540000e+04
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   23 and name  HG#)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   28 and name  HG#)
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   23 and name  HG#) 4.019 2.019 2.019 weight 1.000 spectrum  2 peak   104 ! spec=13CARO, no=104, id=3169, vol=3.540000e+04
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   23 and name  HG#)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   28 and name  HG#)
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    2 and name  HG#) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak   106 ! spec=13CARO, no=106, id=3171, vol=1.640000e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB#)
assign (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    2 and name  HG#) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak   106 ! spec=13CARO, no=106, id=3171, vol=1.640000e+05
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name  HB#)
assign (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    2 and name  HG#) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak   106 ! spec=13CARO, no=106, id=3171, vol=1.640000e+05
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name  HB#)
assign (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    2 and name  HG#) 3.113 1.211 1.211 weight 1.000 spectrum  2 peak   106 ! spec=13CARO, no=106, id=3171, vol=1.640000e+05
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name  HB#)
assign (segid "   A" and resid   12 and name   HN) (segid "   B" and resid    2 and name  HB#) 2.687 0.903 0.903 weight 1.000 spectrum  2 peak   107 ! spec=13CARO, no=107, id=3172, vol=3.960000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB#)
assign (segid "   B" and resid   12 and name   HN) (segid "   A" and resid    2 and name  HB#) 2.687 0.903 0.903 weight 1.000 spectrum  2 peak   107 ! spec=13CARO, no=107, id=3172, vol=3.960000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HB#)
assign (segid "   C" and resid   12 and name   HN) (segid "   D" and resid    2 and name  HB#) 2.687 0.903 0.903 weight 1.000 spectrum  2 peak   107 ! spec=13CARO, no=107, id=3172, vol=3.960000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB#)
assign (segid "   D" and resid   12 and name   HN) (segid "   C" and resid    2 and name  HB#) 2.687 0.903 0.903 weight 1.000 spectrum  2 peak   107 ! spec=13CARO, no=107, id=3172, vol=3.960000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HB#)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   110 ! spec=13CARO, no=110, id=3175, vol=1.380000e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   110 ! spec=13CARO, no=110, id=3175, vol=1.380000e+05
    or (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HB#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   110 ! spec=13CARO, no=110, id=3175, vol=1.380000e+05
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HB#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   110 ! spec=13CARO, no=110, id=3175, vol=1.380000e+05
    or (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB#)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.695 0.908 0.908 weight 1.000 spectrum  2 peak   111 ! spec=13CARO, no=111, id=3176, vol=3.890000e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB#)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG#)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name  HB#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.695 0.908 0.908 weight 1.000 spectrum  2 peak   111 ! spec=13CARO, no=111, id=3176, vol=3.890000e+05
    or (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HB#)
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HG#)
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   20 and name  HB#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.695 0.908 0.908 weight 1.000 spectrum  2 peak   111 ! spec=13CARO, no=111, id=3176, vol=3.890000e+05
    or (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB#)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HG#)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   20 and name  HB#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.695 0.908 0.908 weight 1.000 spectrum  2 peak   111 ! spec=13CARO, no=111, id=3176, vol=3.890000e+05
    or (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HB#)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HG#)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   20 and name  HB#)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name   HG) 3.166 1.253 1.253 weight 1.000 spectrum  2 peak   113 ! spec=13CARO, no=113, id=3178, vol=1.480000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    9 and name   HN)
    or (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    7 and name   HG) 3.166 1.253 1.253 weight 1.000 spectrum  2 peak   113 ! spec=13CARO, no=113, id=3178, vol=1.480000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    9 and name   HN)
    or (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    7 and name   HG) 3.166 1.253 1.253 weight 1.000 spectrum  2 peak   113 ! spec=13CARO, no=113, id=3178, vol=1.480000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    9 and name   HN)
    or (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    7 and name   HG) 3.166 1.253 1.253 weight 1.000 spectrum  2 peak   113 ! spec=13CARO, no=113, id=3178, vol=1.480000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    9 and name   HN)
    or (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HG) 2.987 1.115 1.115 weight 1.000 spectrum  2 peak   115 ! spec=13CARO, no=115, id=3180, vol=2.100000e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name   HG) 2.987 1.115 1.115 weight 1.000 spectrum  2 peak   115 ! spec=13CARO, no=115, id=3180, vol=2.100000e+05
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name   HG) 2.987 1.115 1.115 weight 1.000 spectrum  2 peak   115 ! spec=13CARO, no=115, id=3180, vol=2.100000e+05
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name   HG) 2.987 1.115 1.115 weight 1.000 spectrum  2 peak   115 ! spec=13CARO, no=115, id=3180, vol=2.100000e+05
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    7 and name  HB#) 3.863 1.865 1.865 weight 1.000 spectrum  2 peak   117 ! spec=13CARO, no=117, id=3182, vol=4.490000e+04
    or (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid    9 and name   HN) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    7 and name  HB#) 3.863 1.865 1.865 weight 1.000 spectrum  2 peak   117 ! spec=13CARO, no=117, id=3182, vol=4.490000e+04
    or (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid    9 and name   HN) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    7 and name  HB#) 3.863 1.865 1.865 weight 1.000 spectrum  2 peak   117 ! spec=13CARO, no=117, id=3182, vol=4.490000e+04
    or (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid    9 and name   HN) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    7 and name  HB#) 3.863 1.865 1.865 weight 1.000 spectrum  2 peak   117 ! spec=13CARO, no=117, id=3182, vol=4.490000e+04
    or (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid    9 and name   HN) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   10 and name  HG#) 3.392 1.438 1.438 weight 1.000 spectrum  2 peak   118 ! spec=13CARO, no=118, id=3183, vol=9.800000e+04
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name  HD#)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   22 and name   HN) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   10 and name  HG#) 3.392 1.438 1.438 weight 1.000 spectrum  2 peak   118 ! spec=13CARO, no=118, id=3183, vol=9.800000e+04
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   20 and name  HD#)
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   22 and name   HN) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   10 and name  HG#) 3.392 1.438 1.438 weight 1.000 spectrum  2 peak   118 ! spec=13CARO, no=118, id=3183, vol=9.800000e+04
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   20 and name  HD#)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   22 and name   HN) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   10 and name  HG#) 3.392 1.438 1.438 weight 1.000 spectrum  2 peak   118 ! spec=13CARO, no=118, id=3183, vol=9.800000e+04
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   20 and name  HD#)
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   22 and name   HN) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB#) 2.953 1.090 1.090 weight 1.000 spectrum  2 peak   120 ! spec=13CARO, no=120, id=3185, vol=2.250000e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HB#) 2.953 1.090 1.090 weight 1.000 spectrum  2 peak   120 ! spec=13CARO, no=120, id=3185, vol=2.250000e+05
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   18 and name  HB#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB#) 2.953 1.090 1.090 weight 1.000 spectrum  2 peak   120 ! spec=13CARO, no=120, id=3185, vol=2.250000e+05
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HB#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HB#) 2.953 1.090 1.090 weight 1.000 spectrum  2 peak   120 ! spec=13CARO, no=120, id=3185, vol=2.250000e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB#) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak   124 ! spec=13CARO, no=124, id=3189, vol=4.970000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name  HB#) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak   124 ! spec=13CARO, no=124, id=3189, vol=4.970000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB#) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak   124 ! spec=13CARO, no=124, id=3189, vol=4.970000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name  HB#) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak   124 ! spec=13CARO, no=124, id=3189, vol=4.970000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name  HB#) 2.491 0.775 0.775 weight 1.000 spectrum  2 peak   125 ! spec=13CARO, no=125, id=3190, vol=6.250000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HG)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HG)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   27 and name  HB#) 2.491 0.775 0.775 weight 1.000 spectrum  2 peak   125 ! spec=13CARO, no=125, id=3190, vol=6.250000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name   HG)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   25 and name   HG)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name  HB#) 2.491 0.775 0.775 weight 1.000 spectrum  2 peak   125 ! spec=13CARO, no=125, id=3190, vol=6.250000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HG)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HG)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   27 and name  HB#) 2.491 0.775 0.775 weight 1.000 spectrum  2 peak   125 ! spec=13CARO, no=125, id=3190, vol=6.250000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name   HG)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   25 and name   HG)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB#) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak   126 ! spec=13CARO, no=126, id=3191, vol=3.130000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   25 and name  HB#) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak   126 ! spec=13CARO, no=126, id=3191, vol=3.130000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name  HB#) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak   126 ! spec=13CARO, no=126, id=3191, vol=3.130000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   25 and name  HB#) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak   126 ! spec=13CARO, no=126, id=3191, vol=3.130000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   127 ! spec=13CARO, no=127, id=3192, vol=4.460000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB#)
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   127 ! spec=13CARO, no=127, id=3192, vol=4.460000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HB#)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   127 ! spec=13CARO, no=127, id=3192, vol=4.460000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB#)
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   127 ! spec=13CARO, no=127, id=3192, vol=4.460000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HB#)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG#) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak   128 ! spec=13CARO, no=128, id=3193, vol=1.310000e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   19 and name  HE#)
    or (segid "   A" and resid    8 and name   HN) (segid "   D" and resid   47 and name  HB#)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HE#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HG#) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak   128 ! spec=13CARO, no=128, id=3193, vol=1.310000e+05
    or (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   19 and name  HE#)
    or (segid "   B" and resid    8 and name   HN) (segid "   C" and resid   47 and name  HB#)
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HE#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HG#) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak   128 ! spec=13CARO, no=128, id=3193, vol=1.310000e+05
    or (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   19 and name  HE#)
    or (segid "   C" and resid    8 and name   HN) (segid "   B" and resid   47 and name  HB#)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HE#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HG#) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak   128 ! spec=13CARO, no=128, id=3193, vol=1.310000e+05
    or (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   19 and name  HE#)
    or (segid "   D" and resid    8 and name   HN) (segid "   A" and resid   47 and name  HB#)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HE#)
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   22 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  2 peak   129 ! spec=13CARO, no=129, id=3194, vol=4.090000e+04
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   33 and name  HB#)
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   34 and name  HG#)
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   22 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  2 peak   129 ! spec=13CARO, no=129, id=3194, vol=4.090000e+04
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   33 and name  HB#)
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   34 and name  HG#)
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   22 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  2 peak   129 ! spec=13CARO, no=129, id=3194, vol=4.090000e+04
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   33 and name  HB#)
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   34 and name  HG#)
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   22 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  2 peak   129 ! spec=13CARO, no=129, id=3194, vol=4.090000e+04
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   33 and name  HB#)
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   34 and name  HG#)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   23 and name  HB#) 3.624 1.641 1.641 weight 1.000 spectrum  2 peak   130 ! spec=13CARO, no=130, id=3195, vol=6.590000e+04
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name  HB#)
    or (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    2 and name  HB#)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   23 and name  HB#) 3.624 1.641 1.641 weight 1.000 spectrum  2 peak   130 ! spec=13CARO, no=130, id=3195, vol=6.590000e+04
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   28 and name  HB#)
    or (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    2 and name  HB#)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   23 and name  HB#) 3.624 1.641 1.641 weight 1.000 spectrum  2 peak   130 ! spec=13CARO, no=130, id=3195, vol=6.590000e+04
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   28 and name  HB#)
    or (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    2 and name  HB#)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   23 and name  HB#) 3.624 1.641 1.641 weight 1.000 spectrum  2 peak   130 ! spec=13CARO, no=130, id=3195, vol=6.590000e+04
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   28 and name  HB#)
    or (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    2 and name  HB#)
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.094 1.197 1.197 weight 1.000 spectrum  2 peak   139 ! spec=13CARO, no=139, id=3201, vol=1.700000e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   19 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.094 1.197 1.197 weight 1.000 spectrum  2 peak   139 ! spec=13CARO, no=139, id=3201, vol=1.700000e+05
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   19 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.094 1.197 1.197 weight 1.000 spectrum  2 peak   139 ! spec=13CARO, no=139, id=3201, vol=1.700000e+05
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   19 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.094 1.197 1.197 weight 1.000 spectrum  2 peak   139 ! spec=13CARO, no=139, id=3201, vol=1.700000e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   19 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.116 3.116 2.884 weight 1.000 spectrum  2 peak   146 ! spec=13CARO, no=146, id=3202, vol=1.630000e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    4 and name HG2#)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.116 3.116 2.884 weight 1.000 spectrum  2 peak   146 ! spec=13CARO, no=146, id=3202, vol=1.630000e+05
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG2#)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.116 3.116 2.884 weight 1.000 spectrum  2 peak   146 ! spec=13CARO, no=146, id=3202, vol=1.630000e+05
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    4 and name HG2#)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.116 3.116 2.884 weight 1.000 spectrum  2 peak   146 ! spec=13CARO, no=146, id=3202, vol=1.630000e+05
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    4 and name HG2#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.793 2.793 3.207 weight 1.000 spectrum  2 peak   153 ! spec=13CARO, no=153, id=3204, vol=3.140000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   A" and resid   25 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   25 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid    4 and name HG2#)
    or (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.793 2.793 3.207 weight 1.000 spectrum  2 peak   153 ! spec=13CARO, no=153, id=3204, vol=3.140000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   B" and resid   25 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   25 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid    4 and name HG2#)
    or (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.793 2.793 3.207 weight 1.000 spectrum  2 peak   153 ! spec=13CARO, no=153, id=3204, vol=3.140000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   C" and resid   25 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   25 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid    4 and name HG2#)
    or (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.793 2.793 3.207 weight 1.000 spectrum  2 peak   153 ! spec=13CARO, no=153, id=3204, vol=3.140000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   D" and resid   25 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   25 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid    4 and name HG2#)
    or (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.628 0.863 0.863 weight 1.000 spectrum  2 peak   158 ! spec=13CARO, no=158, id=3206, vol=4.530000e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.628 0.863 0.863 weight 1.000 spectrum  2 peak   158 ! spec=13CARO, no=158, id=3206, vol=4.530000e+05
    or (segid "   B" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.628 0.863 0.863 weight 1.000 spectrum  2 peak   158 ! spec=13CARO, no=158, id=3206, vol=4.530000e+05
    or (segid "   C" and resid   18 and name   HN) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.628 0.863 0.863 weight 1.000 spectrum  2 peak   158 ! spec=13CARO, no=158, id=3206, vol=4.530000e+05
    or (segid "   D" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   164 ! spec=13CARO, no=164, id=3207, vol=1.670000e+05
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   21 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   21 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   164 ! spec=13CARO, no=164, id=3207, vol=1.670000e+05
    or (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   21 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   21 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   164 ! spec=13CARO, no=164, id=3207, vol=1.670000e+05
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   21 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   21 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   164 ! spec=13CARO, no=164, id=3207, vol=1.670000e+05
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   21 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   18 and name  HB#) 3.965 1.965 1.965 weight 1.000 spectrum  2 peak   167 ! spec=13CARO, no=167, id=3210, vol=3.840000e+04
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   18 and name  HB#) 3.965 1.965 1.965 weight 1.000 spectrum  2 peak   167 ! spec=13CARO, no=167, id=3210, vol=3.840000e+04
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   18 and name  HB#) 3.965 1.965 1.965 weight 1.000 spectrum  2 peak   167 ! spec=13CARO, no=167, id=3210, vol=3.840000e+04
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   18 and name  HB#) 3.965 1.965 1.965 weight 1.000 spectrum  2 peak   167 ! spec=13CARO, no=167, id=3210, vol=3.840000e+04
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name   HN) 3.911 1.912 1.912 weight 1.000 spectrum  2 peak   170 ! spec=13CARO, no=170, id=3213, vol=4.170000e+04
    or (segid "   A" and resid   17 and name   HN) (segid "   B" and resid   25 and name  HB#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name   HN) 3.911 1.912 1.912 weight 1.000 spectrum  2 peak   170 ! spec=13CARO, no=170, id=3213, vol=4.170000e+04
    or (segid "   B" and resid   17 and name   HN) (segid "   A" and resid   25 and name  HB#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HG#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name   HN) 3.911 1.912 1.912 weight 1.000 spectrum  2 peak   170 ! spec=13CARO, no=170, id=3213, vol=4.170000e+04
    or (segid "   C" and resid   17 and name   HN) (segid "   D" and resid   25 and name  HB#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HG#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name   HN) 3.911 1.912 1.912 weight 1.000 spectrum  2 peak   170 ! spec=13CARO, no=170, id=3213, vol=4.170000e+04
    or (segid "   D" and resid   17 and name   HN) (segid "   C" and resid   25 and name  HB#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HG#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HB) 2.485 0.772 0.772 weight 1.000 spectrum  2 peak   171 ! spec=13CARO, no=171, id=3214, vol=6.340000e+05
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   23 and name   HN)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB#)
    or (segid "   A" and resid   48 and name   HN) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name   HB) 2.485 0.772 0.772 weight 1.000 spectrum  2 peak   171 ! spec=13CARO, no=171, id=3214, vol=6.340000e+05
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   23 and name   HN)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name  HB#)
    or (segid "   B" and resid   48 and name   HN) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HB) 2.485 0.772 0.772 weight 1.000 spectrum  2 peak   171 ! spec=13CARO, no=171, id=3214, vol=6.340000e+05
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   23 and name   HN)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB#)
    or (segid "   C" and resid   48 and name   HN) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HB) 2.485 0.772 0.772 weight 1.000 spectrum  2 peak   171 ! spec=13CARO, no=171, id=3214, vol=6.340000e+05
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   23 and name   HN)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HB#)
    or (segid "   D" and resid   48 and name   HN) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB#) 2.407 0.724 0.724 weight 1.000 spectrum  2 peak   172 ! spec=13CARO, no=172, id=3215, vol=7.680000e+05
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name   HN)
    or (segid "   A" and resid   48 and name   HN) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name  HB#) 2.407 0.724 0.724 weight 1.000 spectrum  2 peak   172 ! spec=13CARO, no=172, id=3215, vol=7.680000e+05
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name   HN)
    or (segid "   B" and resid   48 and name   HN) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB#) 2.407 0.724 0.724 weight 1.000 spectrum  2 peak   172 ! spec=13CARO, no=172, id=3215, vol=7.680000e+05
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name   HN)
    or (segid "   C" and resid   48 and name   HN) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name  HB#) 2.407 0.724 0.724 weight 1.000 spectrum  2 peak   172 ! spec=13CARO, no=172, id=3215, vol=7.680000e+05
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name   HN)
    or (segid "   D" and resid   48 and name   HN) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.865 1.026 1.026 weight 1.000 spectrum  2 peak   174 ! spec=13CARO, no=174, id=3217, vol=2.700000e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.865 1.026 1.026 weight 1.000 spectrum  2 peak   174 ! spec=13CARO, no=174, id=3217, vol=2.700000e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.865 1.026 1.026 weight 1.000 spectrum  2 peak   174 ! spec=13CARO, no=174, id=3217, vol=2.700000e+05
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.865 1.026 1.026 weight 1.000 spectrum  2 peak   174 ! spec=13CARO, no=174, id=3217, vol=2.700000e+05
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HB) 2.782 0.967 0.967 weight 1.000 spectrum  2 peak   180 ! spec=13CARO, no=180, id=3223, vol=3.220000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB#)
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name   HB) 2.782 0.967 0.967 weight 1.000 spectrum  2 peak   180 ! spec=13CARO, no=180, id=3223, vol=3.220000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HB#)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name   HB) 2.782 0.967 0.967 weight 1.000 spectrum  2 peak   180 ! spec=13CARO, no=180, id=3223, vol=3.220000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HB#)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name   HB) 2.782 0.967 0.967 weight 1.000 spectrum  2 peak   180 ! spec=13CARO, no=180, id=3223, vol=3.220000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HB#)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG1#) 2.773 0.961 0.961 weight 1.000 spectrum  2 peak   181 ! spec=13CARO, no=181, id=3224, vol=3.280000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG1#) 2.773 0.961 0.961 weight 1.000 spectrum  2 peak   181 ! spec=13CARO, no=181, id=3224, vol=3.280000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG1#) 2.773 0.961 0.961 weight 1.000 spectrum  2 peak   181 ! spec=13CARO, no=181, id=3224, vol=3.280000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG1#) 2.773 0.961 0.961 weight 1.000 spectrum  2 peak   181 ! spec=13CARO, no=181, id=3224, vol=3.280000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HE#) 3.384 3.384 2.616 weight 1.000 spectrum  2 peak   187 ! spec=13CARO, no=187, id=3230, vol=9.940000e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HB#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HE#) 3.384 3.384 2.616 weight 1.000 spectrum  2 peak   187 ! spec=13CARO, no=187, id=3230, vol=9.940000e+04
    or (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   32 and name  HB#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HE#) 3.384 3.384 2.616 weight 1.000 spectrum  2 peak   187 ! spec=13CARO, no=187, id=3230, vol=9.940000e+04
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name  HB#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HE#) 3.384 3.384 2.616 weight 1.000 spectrum  2 peak   187 ! spec=13CARO, no=187, id=3230, vol=9.940000e+04
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   32 and name  HB#)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.312 1.371 1.371 weight 1.000 spectrum  2 peak   188 ! spec=13CARO, no=188, id=3231, vol=1.130000e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HG#)
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HG#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   48 and name   HN)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.312 1.371 1.371 weight 1.000 spectrum  2 peak   188 ! spec=13CARO, no=188, id=3231, vol=1.130000e+05
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name  HG#)
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HG#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   48 and name   HN)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.312 1.371 1.371 weight 1.000 spectrum  2 peak   188 ! spec=13CARO, no=188, id=3231, vol=1.130000e+05
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HG#)
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HG#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   48 and name   HN)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.312 1.371 1.371 weight 1.000 spectrum  2 peak   188 ! spec=13CARO, no=188, id=3231, vol=1.130000e+05
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name  HG#)
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HG#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   48 and name   HN)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.661 1.675 1.675 weight 1.000 spectrum  2 peak   189 ! spec=13CARO, no=189, id=3232, vol=6.200000e+04
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HG#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.661 1.675 1.675 weight 1.000 spectrum  2 peak   189 ! spec=13CARO, no=189, id=3232, vol=6.200000e+04
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name  HG#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.661 1.675 1.675 weight 1.000 spectrum  2 peak   189 ! spec=13CARO, no=189, id=3232, vol=6.200000e+04
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HG#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.661 1.675 1.675 weight 1.000 spectrum  2 peak   189 ! spec=13CARO, no=189, id=3232, vol=6.200000e+04
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name  HG#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG#) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   191 ! spec=13CARO, no=191, id=3234, vol=1.010000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name HE2#)
assign (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG#) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   191 ! spec=13CARO, no=191, id=3234, vol=1.010000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name HE2#)
assign (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG#) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   191 ! spec=13CARO, no=191, id=3234, vol=1.010000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name HE2#)
assign (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HG#) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   191 ! spec=13CARO, no=191, id=3234, vol=1.010000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name HE2#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name HE2#) 2.414 0.728 0.728 weight 1.000 spectrum  2 peak   192 ! spec=13CARO, no=192, id=3235, vol=7.540000e+05
    or (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name HE2#) 2.414 0.728 0.728 weight 1.000 spectrum  2 peak   192 ! spec=13CARO, no=192, id=3235, vol=7.540000e+05
    or (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name HE2#) 2.414 0.728 0.728 weight 1.000 spectrum  2 peak   192 ! spec=13CARO, no=192, id=3235, vol=7.540000e+05
    or (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name HE2#) 2.414 0.728 0.728 weight 1.000 spectrum  2 peak   192 ! spec=13CARO, no=192, id=3235, vol=7.540000e+05
    or (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   15 and name   HZ) (segid "   A" and resid   19 and name  HE#) 2.368 0.701 0.701 weight 1.000 spectrum  2 peak   193 ! spec=13CARO, no=193, id=3236, vol=8.460000e+05
    or (segid "   A" and resid   15 and name   HZ) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   15 and name   HZ) (segid "   B" and resid   19 and name  HE#) 2.368 0.701 0.701 weight 1.000 spectrum  2 peak   193 ! spec=13CARO, no=193, id=3236, vol=8.460000e+05
    or (segid "   B" and resid   15 and name   HZ) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   15 and name   HZ) (segid "   C" and resid   19 and name  HE#) 2.368 0.701 0.701 weight 1.000 spectrum  2 peak   193 ! spec=13CARO, no=193, id=3236, vol=8.460000e+05
    or (segid "   C" and resid   15 and name   HZ) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   15 and name   HZ) (segid "   D" and resid   19 and name  HE#) 2.368 0.701 0.701 weight 1.000 spectrum  2 peak   193 ! spec=13CARO, no=193, id=3236, vol=8.460000e+05
    or (segid "   D" and resid   15 and name   HZ) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   43 and name  HB#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   194 ! spec=13CARO, no=194, id=3237, vol=1.060000e+05
    or (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HE#)
    or (segid "   A" and resid   15 and name  HE#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HG#)
assign (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   43 and name  HB#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   194 ! spec=13CARO, no=194, id=3237, vol=1.060000e+05
    or (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   47 and name  HB#)
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HE#)
    or (segid "   B" and resid   15 and name  HE#) (segid "   D" and resid   47 and name  HB#)
    or (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   32 and name  HG#)
assign (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   43 and name  HB#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   194 ! spec=13CARO, no=194, id=3237, vol=1.060000e+05
    or (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HE#)
    or (segid "   C" and resid   15 and name  HE#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name  HG#)
assign (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   43 and name  HB#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   194 ! spec=13CARO, no=194, id=3237, vol=1.060000e+05
    or (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   47 and name  HB#)
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HE#)
    or (segid "   D" and resid   15 and name  HE#) (segid "   B" and resid   47 and name  HB#)
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   32 and name  HG#)
assign (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   46 and name  HB#) 2.757 0.950 0.950 weight 1.000 spectrum  2 peak   197 ! spec=13CARO, no=197, id=3240, vol=3.400000e+05
    or (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   46 and name  HB#) 2.757 0.950 0.950 weight 1.000 spectrum  2 peak   197 ! spec=13CARO, no=197, id=3240, vol=3.400000e+05
    or (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   46 and name  HB#) 2.757 0.950 0.950 weight 1.000 spectrum  2 peak   197 ! spec=13CARO, no=197, id=3240, vol=3.400000e+05
    or (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   46 and name  HB#) 2.757 0.950 0.950 weight 1.000 spectrum  2 peak   197 ! spec=13CARO, no=197, id=3240, vol=3.400000e+05
    or (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   48 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   198 ! spec=13CARO, no=198, id=3241, vol=1.060000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name  HE#)
assign (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   48 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   198 ! spec=13CARO, no=198, id=3241, vol=1.060000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name  HE#)
assign (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   48 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   198 ! spec=13CARO, no=198, id=3241, vol=1.060000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name  HE#)
assign (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   48 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   198 ! spec=13CARO, no=198, id=3241, vol=1.060000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name  HE#)
assign (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid   12 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  2 peak   199 ! spec=13CARO, no=199, id=3242, vol=4.000000e+04
    or (segid "   A" and resid   31 and name   HN) (segid "   C" and resid   35 and name  HB#)
assign (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid   12 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  2 peak   199 ! spec=13CARO, no=199, id=3242, vol=4.000000e+04
    or (segid "   B" and resid   31 and name   HN) (segid "   D" and resid   35 and name  HB#)
assign (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid   12 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  2 peak   199 ! spec=13CARO, no=199, id=3242, vol=4.000000e+04
    or (segid "   C" and resid   31 and name   HN) (segid "   A" and resid   35 and name  HB#)
assign (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid   12 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  2 peak   199 ! spec=13CARO, no=199, id=3242, vol=4.000000e+04
    or (segid "   D" and resid   31 and name   HN) (segid "   B" and resid   35 and name  HB#)
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HE#) 2.938 1.079 1.079 weight 1.000 spectrum  2 peak   202 ! spec=13CARO, no=202, id=3245, vol=2.320000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HE#) 2.938 1.079 1.079 weight 1.000 spectrum  2 peak   202 ! spec=13CARO, no=202, id=3245, vol=2.320000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HE#) 2.938 1.079 1.079 weight 1.000 spectrum  2 peak   202 ! spec=13CARO, no=202, id=3245, vol=2.320000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HE#) 2.938 1.079 1.079 weight 1.000 spectrum  2 peak   202 ! spec=13CARO, no=202, id=3245, vol=2.320000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name HE2#) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   204 ! spec=13CARO, no=204, id=3247, vol=4.780000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name HE2#)
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name HE2#) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   204 ! spec=13CARO, no=204, id=3247, vol=4.780000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name HE2#)
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name HE2#) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   204 ! spec=13CARO, no=204, id=3247, vol=4.780000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name HE2#)
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name HE2#) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   204 ! spec=13CARO, no=204, id=3247, vol=4.780000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name HE2#)
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HE#) 2.596 0.843 0.843 weight 1.000 spectrum  2 peak   206 ! spec=13CARO, no=206, id=3249, vol=4.870000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   23 and name  HG#)
    or (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   41 and name HE2#)
    or (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   44 and name HE2#)
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HE#) 2.596 0.843 0.843 weight 1.000 spectrum  2 peak   206 ! spec=13CARO, no=206, id=3249, vol=4.870000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   23 and name  HG#)
    or (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   41 and name HE2#)
    or (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   44 and name HE2#)
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HE#) 2.596 0.843 0.843 weight 1.000 spectrum  2 peak   206 ! spec=13CARO, no=206, id=3249, vol=4.870000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   23 and name  HG#)
    or (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   41 and name HE2#)
    or (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   44 and name HE2#)
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HE#) 2.596 0.843 0.843 weight 1.000 spectrum  2 peak   206 ! spec=13CARO, no=206, id=3249, vol=4.870000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   23 and name  HG#)
    or (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   41 and name HE2#)
    or (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   44 and name HE2#)
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HE#) 2.584 0.835 0.835 weight 1.000 spectrum  2 peak   207 ! spec=13CARO, no=207, id=3250, vol=5.010000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name HE2#)
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HE#) 2.584 0.835 0.835 weight 1.000 spectrum  2 peak   207 ! spec=13CARO, no=207, id=3250, vol=5.010000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name HE2#)
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HE#) 2.584 0.835 0.835 weight 1.000 spectrum  2 peak   207 ! spec=13CARO, no=207, id=3250, vol=5.010000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name HE2#)
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HE#) 2.584 0.835 0.835 weight 1.000 spectrum  2 peak   207 ! spec=13CARO, no=207, id=3250, vol=5.010000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name HE2#)
assign (segid "   A" and resid   44 and name HE2#) (segid "   C" and resid   19 and name  HE#) 2.323 0.675 0.675 weight 1.000 spectrum  2 peak   208 ! spec=13CARO, no=208, id=3251, vol=9.490000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name HE2#)
    or (segid "   A" and resid   14 and name HD2#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   39 and name  HE#)
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   26 and name  HB#)
assign (segid "   B" and resid   44 and name HE2#) (segid "   D" and resid   19 and name  HE#) 2.323 0.675 0.675 weight 1.000 spectrum  2 peak   208 ! spec=13CARO, no=208, id=3251, vol=9.490000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name HE2#)
    or (segid "   B" and resid   14 and name HD2#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   39 and name  HE#)
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   26 and name  HB#)
assign (segid "   C" and resid   44 and name HE2#) (segid "   A" and resid   19 and name  HE#) 2.323 0.675 0.675 weight 1.000 spectrum  2 peak   208 ! spec=13CARO, no=208, id=3251, vol=9.490000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name HE2#)
    or (segid "   C" and resid   14 and name HD2#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   39 and name  HE#)
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   26 and name  HB#)
assign (segid "   D" and resid   44 and name HE2#) (segid "   B" and resid   19 and name  HE#) 2.323 0.675 0.675 weight 1.000 spectrum  2 peak   208 ! spec=13CARO, no=208, id=3251, vol=9.490000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name HE2#)
    or (segid "   D" and resid   14 and name HD2#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   39 and name  HE#)
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   26 and name  HB#)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name HE2#) 2.921 1.067 1.067 weight 1.000 spectrum  2 peak   209 ! spec=13CARO, no=209, id=3252, vol=2.400000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   A" and resid   44 and name HE2#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name HE2#) 2.921 1.067 1.067 weight 1.000 spectrum  2 peak   209 ! spec=13CARO, no=209, id=3252, vol=2.400000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   B" and resid   44 and name HE2#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name HE2#) 2.921 1.067 1.067 weight 1.000 spectrum  2 peak   209 ! spec=13CARO, no=209, id=3252, vol=2.400000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   C" and resid   44 and name HE2#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name HE2#) 2.921 1.067 1.067 weight 1.000 spectrum  2 peak   209 ! spec=13CARO, no=209, id=3252, vol=2.400000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   D" and resid   44 and name HE2#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   210 ! spec=13CARO, no=210, id=3253, vol=1.840000e+05
    or (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   210 ! spec=13CARO, no=210, id=3253, vol=1.840000e+05
    or (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   210 ! spec=13CARO, no=210, id=3253, vol=1.840000e+05
    or (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   210 ! spec=13CARO, no=210, id=3253, vol=1.840000e+05
    or (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   A" and resid   14 and name HD2#) (segid "   B" and resid   25 and name  HB#) 3.037 1.153 1.153 weight 1.000 spectrum  2 peak   211 ! spec=13CARO, no=211, id=3254, vol=1.900000e+05
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   A" and resid   39 and name  HE#) (segid "   D" and resid   10 and name  HB#)
    or (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#)
assign (segid "   B" and resid   14 and name HD2#) (segid "   A" and resid   25 and name  HB#) 3.037 1.153 1.153 weight 1.000 spectrum  2 peak   211 ! spec=13CARO, no=211, id=3254, vol=1.900000e+05
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   B" and resid   39 and name  HE#) (segid "   C" and resid   10 and name  HB#)
    or (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#)
assign (segid "   C" and resid   14 and name HD2#) (segid "   D" and resid   25 and name  HB#) 3.037 1.153 1.153 weight 1.000 spectrum  2 peak   211 ! spec=13CARO, no=211, id=3254, vol=1.900000e+05
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   C" and resid   39 and name  HE#) (segid "   B" and resid   10 and name  HB#)
    or (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#)
assign (segid "   D" and resid   14 and name HD2#) (segid "   C" and resid   25 and name  HB#) 3.037 1.153 1.153 weight 1.000 spectrum  2 peak   211 ! spec=13CARO, no=211, id=3254, vol=1.900000e+05
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   D" and resid   39 and name  HE#) (segid "   A" and resid   10 and name  HB#)
    or (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#)
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HE#) 3.142 1.234 1.234 weight 1.000 spectrum  2 peak   213 ! spec=13CARO, no=213, id=3256, vol=1.550000e+05
    or (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HE#) 3.142 1.234 1.234 weight 1.000 spectrum  2 peak   213 ! spec=13CARO, no=213, id=3256, vol=1.550000e+05
    or (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HE#) 3.142 1.234 1.234 weight 1.000 spectrum  2 peak   213 ! spec=13CARO, no=213, id=3256, vol=1.550000e+05
    or (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HE#) 3.142 1.234 1.234 weight 1.000 spectrum  2 peak   213 ! spec=13CARO, no=213, id=3256, vol=1.550000e+05
    or (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid    8 and name  HB#) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   214 ! spec=13CARO, no=214, id=3257, vol=3.440000e+05
    or (segid "   A" and resid    6 and name  HE#) (segid "   C" and resid   48 and name  HB#)
    or (segid "   A" and resid   15 and name  HD#) (segid "   A" and resid   18 and name  HB#)
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid    8 and name  HB#) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   214 ! spec=13CARO, no=214, id=3257, vol=3.440000e+05
    or (segid "   B" and resid    6 and name  HE#) (segid "   D" and resid   48 and name  HB#)
    or (segid "   B" and resid   15 and name  HD#) (segid "   B" and resid   18 and name  HB#)
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid    8 and name  HB#) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   214 ! spec=13CARO, no=214, id=3257, vol=3.440000e+05
    or (segid "   C" and resid    6 and name  HE#) (segid "   A" and resid   48 and name  HB#)
    or (segid "   C" and resid   15 and name  HD#) (segid "   C" and resid   18 and name  HB#)
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid    8 and name  HB#) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   214 ! spec=13CARO, no=214, id=3257, vol=3.440000e+05
    or (segid "   D" and resid    6 and name  HE#) (segid "   B" and resid   48 and name  HB#)
    or (segid "   D" and resid   15 and name  HD#) (segid "   D" and resid   18 and name  HB#)
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HD#) 2.802 2.802 3.198 weight 1.000 spectrum  2 peak   224 ! spec=13CARO, no=224, id=3267, vol=3.080000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HD#) 2.802 2.802 3.198 weight 1.000 spectrum  2 peak   224 ! spec=13CARO, no=224, id=3267, vol=3.080000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HD#) 2.802 2.802 3.198 weight 1.000 spectrum  2 peak   224 ! spec=13CARO, no=224, id=3267, vol=3.080000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HD#) 2.802 2.802 3.198 weight 1.000 spectrum  2 peak   224 ! spec=13CARO, no=224, id=3267, vol=3.080000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   226 ! spec=13CARO, no=226, id=3269, vol=4.230000e+05
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name  HD#)
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   226 ! spec=13CARO, no=226, id=3269, vol=4.230000e+05
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name  HD#)
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   226 ! spec=13CARO, no=226, id=3269, vol=4.230000e+05
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name  HD#)
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   226 ! spec=13CARO, no=226, id=3269, vol=4.230000e+05
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name  HD#)
assign (segid "   A" and resid   15 and name  HD#) (segid "   A" and resid   18 and name  HB#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   227 ! spec=13CARO, no=227, id=3270, vol=2.550000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid   15 and name  HD#) (segid "   B" and resid   18 and name  HB#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   227 ! spec=13CARO, no=227, id=3270, vol=2.550000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid   15 and name  HD#) (segid "   C" and resid   18 and name  HB#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   227 ! spec=13CARO, no=227, id=3270, vol=2.550000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid   15 and name  HD#) (segid "   D" and resid   18 and name  HB#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   227 ! spec=13CARO, no=227, id=3270, vol=2.550000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid    6 and name  HE#) (segid "   C" and resid   48 and name  HB#) 3.159 1.248 1.248 weight 1.000 spectrum  2 peak   228 ! spec=13CARO, no=228, id=3271, vol=1.500000e+05
    or (segid "   A" and resid    6 and name  HE#) (segid "   D" and resid   48 and name  HB#)
    or (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HD#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name  HD#)
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid    6 and name  HE#) (segid "   D" and resid   48 and name  HB#) 3.159 1.248 1.248 weight 1.000 spectrum  2 peak   228 ! spec=13CARO, no=228, id=3271, vol=1.500000e+05
    or (segid "   B" and resid    6 and name  HE#) (segid "   C" and resid   48 and name  HB#)
    or (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HD#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name  HD#)
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid    6 and name  HE#) (segid "   A" and resid   48 and name  HB#) 3.159 1.248 1.248 weight 1.000 spectrum  2 peak   228 ! spec=13CARO, no=228, id=3271, vol=1.500000e+05
    or (segid "   C" and resid    6 and name  HE#) (segid "   B" and resid   48 and name  HB#)
    or (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HD#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name  HD#)
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid    6 and name  HE#) (segid "   B" and resid   48 and name  HB#) 3.159 1.248 1.248 weight 1.000 spectrum  2 peak   228 ! spec=13CARO, no=228, id=3271, vol=1.500000e+05
    or (segid "   D" and resid    6 and name  HE#) (segid "   A" and resid   48 and name  HB#)
    or (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HD#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name  HD#)
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HD#) 3.082 1.187 1.187 weight 1.000 spectrum  2 peak   229 ! spec=13CARO, no=229, id=3272, vol=1.740000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HD#) 3.082 1.187 1.187 weight 1.000 spectrum  2 peak   229 ! spec=13CARO, no=229, id=3272, vol=1.740000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HD#) 3.082 1.187 1.187 weight 1.000 spectrum  2 peak   229 ! spec=13CARO, no=229, id=3272, vol=1.740000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HD#) 3.082 1.187 1.187 weight 1.000 spectrum  2 peak   229 ! spec=13CARO, no=229, id=3272, vol=1.740000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid   15 and name   HA) 3.068 1.176 1.176 weight 1.000 spectrum  2 peak   231 ! spec=13CARO, no=231, id=3274, vol=1.790000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   11 and name  HA#)
assign (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid   15 and name   HA) 3.068 1.176 1.176 weight 1.000 spectrum  2 peak   231 ! spec=13CARO, no=231, id=3274, vol=1.790000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   11 and name  HA#)
assign (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid   15 and name   HA) 3.068 1.176 1.176 weight 1.000 spectrum  2 peak   231 ! spec=13CARO, no=231, id=3274, vol=1.790000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   11 and name  HA#)
assign (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid   15 and name   HA) 3.068 1.176 1.176 weight 1.000 spectrum  2 peak   231 ! spec=13CARO, no=231, id=3274, vol=1.790000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   11 and name  HA#)
assign (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid   15 and name  HB#) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   233 ! spec=13CARO, no=233, id=3276, vol=2.000000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid   15 and name  HB#) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   233 ! spec=13CARO, no=233, id=3276, vol=2.000000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid   15 and name  HB#) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   233 ! spec=13CARO, no=233, id=3276, vol=2.000000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid   15 and name  HB#) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   233 ! spec=13CARO, no=233, id=3276, vol=2.000000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   15 and name  HB#) 2.680 0.898 0.898 weight 1.000 spectrum  2 peak   234 ! spec=13CARO, no=234, id=3277, vol=4.030000e+05
    or (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   15 and name  HB#) 2.680 0.898 0.898 weight 1.000 spectrum  2 peak   234 ! spec=13CARO, no=234, id=3277, vol=4.030000e+05
    or (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   15 and name  HB#) 2.680 0.898 0.898 weight 1.000 spectrum  2 peak   234 ! spec=13CARO, no=234, id=3277, vol=4.030000e+05
    or (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   15 and name  HB#) 2.680 0.898 0.898 weight 1.000 spectrum  2 peak   234 ! spec=13CARO, no=234, id=3277, vol=4.030000e+05
    or (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid    8 and name  HG#) 2.309 2.309 3.691 weight 1.000 spectrum  2 peak   236 ! spec=13CARO, no=236, id=3279, vol=9.840000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   13 and name  HB#)
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid    8 and name  HG#)
    or (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid    8 and name  HG#) 2.309 2.309 3.691 weight 1.000 spectrum  2 peak   236 ! spec=13CARO, no=236, id=3279, vol=9.840000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   13 and name  HB#)
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid    8 and name  HG#)
    or (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid    8 and name  HG#) 2.309 2.309 3.691 weight 1.000 spectrum  2 peak   236 ! spec=13CARO, no=236, id=3279, vol=9.840000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   13 and name  HB#)
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid    8 and name  HG#)
    or (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid    8 and name  HG#) 2.309 2.309 3.691 weight 1.000 spectrum  2 peak   236 ! spec=13CARO, no=236, id=3279, vol=9.840000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   13 and name  HB#)
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid    8 and name  HG#)
    or (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   A" and resid    5 and name  HD#) (segid "   B" and resid    9 and name   HB) 2.994 1.121 1.121 weight 1.000 spectrum  2 peak   237 ! spec=13CARO, no=237, id=3280, vol=2.070000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid    9 and name   HB)
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    5 and name  HD#) (segid "   A" and resid    9 and name   HB) 2.994 1.121 1.121 weight 1.000 spectrum  2 peak   237 ! spec=13CARO, no=237, id=3280, vol=2.070000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid    9 and name   HB)
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    5 and name  HD#) (segid "   D" and resid    9 and name   HB) 2.994 1.121 1.121 weight 1.000 spectrum  2 peak   237 ! spec=13CARO, no=237, id=3280, vol=2.070000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid    9 and name   HB)
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    5 and name  HD#) (segid "   C" and resid    9 and name   HB) 2.994 1.121 1.121 weight 1.000 spectrum  2 peak   237 ! spec=13CARO, no=237, id=3280, vol=2.070000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid    9 and name   HB)
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid    5 and name  HE#) (segid "   A" and resid    2 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   238 ! spec=13CARO, no=238, id=3281, vol=2.330000e+05
    or (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    5 and name  HE#) (segid "   B" and resid    2 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   238 ! spec=13CARO, no=238, id=3281, vol=2.330000e+05
    or (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    5 and name  HE#) (segid "   C" and resid    2 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   238 ! spec=13CARO, no=238, id=3281, vol=2.330000e+05
    or (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    5 and name  HE#) (segid "   D" and resid    2 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   238 ! spec=13CARO, no=238, id=3281, vol=2.330000e+05
    or (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    5 and name  HE#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   245 ! spec=13CARO, no=245, id=3288, vol=4.410000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    5 and name  HE#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   245 ! spec=13CARO, no=245, id=3288, vol=4.410000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    5 and name  HE#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   245 ! spec=13CARO, no=245, id=3288, vol=4.410000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    5 and name  HE#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   245 ! spec=13CARO, no=245, id=3288, vol=4.410000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid    9 and name   HB) 2.946 2.946 3.054 weight 1.000 spectrum  2 peak   246 ! spec=13CARO, no=246, id=3289, vol=2.280000e+05
    or (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HB#)
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid    9 and name   HB) 2.946 2.946 3.054 weight 1.000 spectrum  2 peak   246 ! spec=13CARO, no=246, id=3289, vol=2.280000e+05
    or (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HB#)
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid    9 and name   HB) 2.946 2.946 3.054 weight 1.000 spectrum  2 peak   246 ! spec=13CARO, no=246, id=3289, vol=2.280000e+05
    or (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HB#)
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid    9 and name   HB) 2.946 2.946 3.054 weight 1.000 spectrum  2 peak   246 ! spec=13CARO, no=246, id=3289, vol=2.280000e+05
    or (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HB#)
assign (segid "   A" and resid   14 and name HD2#) (segid "   A" and resid   11 and name  HA#) 3.566 1.590 1.590 weight 1.000 spectrum  2 peak   249 ! spec=13CARO, no=249, id=3292, vol=7.250000e+04
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   27 and name   HA)
assign (segid "   B" and resid   14 and name HD2#) (segid "   B" and resid   11 and name  HA#) 3.566 1.590 1.590 weight 1.000 spectrum  2 peak   249 ! spec=13CARO, no=249, id=3292, vol=7.250000e+04
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   27 and name   HA)
assign (segid "   C" and resid   14 and name HD2#) (segid "   C" and resid   11 and name  HA#) 3.566 1.590 1.590 weight 1.000 spectrum  2 peak   249 ! spec=13CARO, no=249, id=3292, vol=7.250000e+04
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   27 and name   HA)
assign (segid "   D" and resid   14 and name HD2#) (segid "   D" and resid   11 and name  HA#) 3.566 1.590 1.590 weight 1.000 spectrum  2 peak   249 ! spec=13CARO, no=249, id=3292, vol=7.250000e+04
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   27 and name   HA)
assign (segid "   A" and resid   14 and name HD2#) (segid "   A" and resid   11 and name  HA#) 3.629 1.646 1.646 weight 1.000 spectrum  2 peak   250 ! spec=13CARO, no=250, id=3293, vol=6.530000e+04
    or (segid "   A" and resid   14 and name HD2#) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid   14 and name HD2#) (segid "   B" and resid   11 and name  HA#) 3.629 1.646 1.646 weight 1.000 spectrum  2 peak   250 ! spec=13CARO, no=250, id=3293, vol=6.530000e+04
    or (segid "   B" and resid   14 and name HD2#) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid   14 and name HD2#) (segid "   C" and resid   11 and name  HA#) 3.629 1.646 1.646 weight 1.000 spectrum  2 peak   250 ! spec=13CARO, no=250, id=3293, vol=6.530000e+04
    or (segid "   C" and resid   14 and name HD2#) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid   14 and name HD2#) (segid "   D" and resid   11 and name  HA#) 3.629 1.646 1.646 weight 1.000 spectrum  2 peak   250 ! spec=13CARO, no=250, id=3293, vol=6.530000e+04
    or (segid "   D" and resid   14 and name HD2#) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid    8 and name HE2#) (segid "   B" and resid   22 and name  HE#) 3.606 1.626 1.626 weight 1.000 spectrum  2 peak   253 ! spec=13CARO, no=253, id=3296, vol=6.780000e+04
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   39 and name  HE#)
    or (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid    8 and name HE2#) (segid "   A" and resid   22 and name  HE#) 3.606 1.626 1.626 weight 1.000 spectrum  2 peak   253 ! spec=13CARO, no=253, id=3296, vol=6.780000e+04
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   39 and name  HE#)
    or (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid    8 and name HE2#) (segid "   D" and resid   22 and name  HE#) 3.606 1.626 1.626 weight 1.000 spectrum  2 peak   253 ! spec=13CARO, no=253, id=3296, vol=6.780000e+04
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   39 and name  HE#)
    or (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid    8 and name HE2#) (segid "   C" and resid   22 and name  HE#) 3.606 1.626 1.626 weight 1.000 spectrum  2 peak   253 ! spec=13CARO, no=253, id=3296, vol=6.780000e+04
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   39 and name  HE#)
    or (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid    6 and name  HE#) (segid "   C" and resid   48 and name  HG#) 3.527 1.555 1.555 weight 1.000 spectrum  2 peak   256 ! spec=13CARO, no=256, id=3299, vol=7.750000e+04
    or (segid "   A" and resid   15 and name  HD#) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid    6 and name  HE#) (segid "   D" and resid   48 and name  HG#) 3.527 1.555 1.555 weight 1.000 spectrum  2 peak   256 ! spec=13CARO, no=256, id=3299, vol=7.750000e+04
    or (segid "   B" and resid   15 and name  HD#) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid    6 and name  HE#) (segid "   A" and resid   48 and name  HG#) 3.527 1.555 1.555 weight 1.000 spectrum  2 peak   256 ! spec=13CARO, no=256, id=3299, vol=7.750000e+04
    or (segid "   C" and resid   15 and name  HD#) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid    6 and name  HE#) (segid "   B" and resid   48 and name  HG#) 3.527 1.555 1.555 weight 1.000 spectrum  2 peak   256 ! spec=13CARO, no=256, id=3299, vol=7.750000e+04
    or (segid "   D" and resid   15 and name  HD#) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   39 and name  HE#) (segid "   D" and resid   10 and name  HB#) 3.582 1.604 1.604 weight 1.000 spectrum  2 peak   257 ! spec=13CARO, no=257, id=3300, vol=7.060000e+04
    or (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   A" and resid    8 and name HE2#) (segid "   D" and resid   46 and name   HG)
    or (segid "   A" and resid   14 and name HD2#) (segid "   B" and resid   25 and name   HG)
assign (segid "   B" and resid   39 and name  HE#) (segid "   C" and resid   10 and name  HB#) 3.582 1.604 1.604 weight 1.000 spectrum  2 peak   257 ! spec=13CARO, no=257, id=3300, vol=7.060000e+04
    or (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   B" and resid    8 and name HE2#) (segid "   C" and resid   46 and name   HG)
    or (segid "   B" and resid   14 and name HD2#) (segid "   A" and resid   25 and name   HG)
assign (segid "   C" and resid   39 and name  HE#) (segid "   B" and resid   10 and name  HB#) 3.582 1.604 1.604 weight 1.000 spectrum  2 peak   257 ! spec=13CARO, no=257, id=3300, vol=7.060000e+04
    or (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   C" and resid    8 and name HE2#) (segid "   B" and resid   46 and name   HG)
    or (segid "   C" and resid   14 and name HD2#) (segid "   D" and resid   25 and name   HG)
assign (segid "   D" and resid   39 and name  HE#) (segid "   A" and resid   10 and name  HB#) 3.582 1.604 1.604 weight 1.000 spectrum  2 peak   257 ! spec=13CARO, no=257, id=3300, vol=7.060000e+04
    or (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   D" and resid    8 and name HE2#) (segid "   A" and resid   46 and name   HG)
    or (segid "   D" and resid   14 and name HD2#) (segid "   C" and resid   25 and name   HG)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    6 and name  HE#) 2.439 2.439 3.561 weight 1.000 spectrum  2 peak   258 ! spec=13CARO, no=258, id=3301, vol=7.080000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    6 and name  HE#) 2.439 2.439 3.561 weight 1.000 spectrum  2 peak   258 ! spec=13CARO, no=258, id=3301, vol=7.080000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    6 and name  HE#) 2.439 2.439 3.561 weight 1.000 spectrum  2 peak   258 ! spec=13CARO, no=258, id=3301, vol=7.080000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    6 and name  HE#) 2.439 2.439 3.561 weight 1.000 spectrum  2 peak   258 ! spec=13CARO, no=258, id=3301, vol=7.080000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name  HD#) 3.094 3.094 2.906 weight 1.000 spectrum  2 peak   269 ! spec=13CARO, no=269, id=3303, vol=1.700000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name  HD#) 3.094 3.094 2.906 weight 1.000 spectrum  2 peak   269 ! spec=13CARO, no=269, id=3303, vol=1.700000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name  HD#) 3.094 3.094 2.906 weight 1.000 spectrum  2 peak   269 ! spec=13CARO, no=269, id=3303, vol=1.700000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name  HD#) 3.094 3.094 2.906 weight 1.000 spectrum  2 peak   269 ! spec=13CARO, no=269, id=3303, vol=1.700000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    6 and name  HD#) 2.927 1.071 1.306 weight 1.000 spectrum  2 peak   274 ! spec=13CARO, no=274, id=3305, vol=2.370000e+05
    or (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    6 and name  HD#) 2.927 1.071 1.306 weight 1.000 spectrum  2 peak   274 ! spec=13CARO, no=274, id=3305, vol=2.370000e+05
    or (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    6 and name  HD#) 2.927 1.071 1.306 weight 1.000 spectrum  2 peak   274 ! spec=13CARO, no=274, id=3305, vol=2.370000e+05
    or (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    6 and name  HD#) 2.927 1.071 1.306 weight 1.000 spectrum  2 peak   274 ! spec=13CARO, no=274, id=3305, vol=2.370000e+05
    or (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   A" and resid    6 and name   HA) (segid "   D" and resid   48 and name  HB#) 3.293 1.355 1.355 weight 1.000 spectrum  2 peak   283 ! spec=13CARO, no=283, id=3310, vol=1.170000e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid    6 and name   HA) (segid "   C" and resid   48 and name  HB#) 3.293 1.355 1.355 weight 1.000 spectrum  2 peak   283 ! spec=13CARO, no=283, id=3310, vol=1.170000e+05
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid    6 and name   HA) (segid "   B" and resid   48 and name  HB#) 3.293 1.355 1.355 weight 1.000 spectrum  2 peak   283 ! spec=13CARO, no=283, id=3310, vol=1.170000e+05
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid    6 and name   HA) (segid "   A" and resid   48 and name  HB#) 3.293 1.355 1.355 weight 1.000 spectrum  2 peak   283 ! spec=13CARO, no=283, id=3310, vol=1.170000e+05
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   285 ! spec=13CARO, no=285, id=3312, vol=1.010000e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   285 ! spec=13CARO, no=285, id=3312, vol=1.010000e+05
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   285 ! spec=13CARO, no=285, id=3312, vol=1.010000e+05
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.375 1.424 1.424 weight 1.000 spectrum  2 peak   285 ! spec=13CARO, no=285, id=3312, vol=1.010000e+05
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    5 and name  HB#) 3.019 1.139 1.139 weight 1.000 spectrum  2 peak   290 ! spec=13CARO, no=290, id=3317, vol=1.970000e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   19 and name  HE#)
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    5 and name  HB#) 3.019 1.139 1.139 weight 1.000 spectrum  2 peak   290 ! spec=13CARO, no=290, id=3317, vol=1.970000e+05
    or (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   19 and name  HE#)
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    5 and name  HB#) 3.019 1.139 1.139 weight 1.000 spectrum  2 peak   290 ! spec=13CARO, no=290, id=3317, vol=1.970000e+05
    or (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   19 and name  HE#)
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    5 and name  HB#) 3.019 1.139 1.139 weight 1.000 spectrum  2 peak   290 ! spec=13CARO, no=290, id=3317, vol=1.970000e+05
    or (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   19 and name  HE#)
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    3 and name   HA) 2.770 2.770 3.230 weight 1.000 spectrum  2 peak   314 ! spec=13CARO, no=314, id=3339, vol=3.300000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    9 and name   HA)
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid    7 and name  HB#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    3 and name   HA) 2.770 2.770 3.230 weight 1.000 spectrum  2 peak   314 ! spec=13CARO, no=314, id=3339, vol=3.300000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    9 and name   HA)
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid    7 and name  HB#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    3 and name   HA) 2.770 2.770 3.230 weight 1.000 spectrum  2 peak   314 ! spec=13CARO, no=314, id=3339, vol=3.300000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    9 and name   HA)
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid    7 and name  HB#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    3 and name   HA) 2.770 2.770 3.230 weight 1.000 spectrum  2 peak   314 ! spec=13CARO, no=314, id=3339, vol=3.300000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    9 and name   HA)
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid    7 and name  HB#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid    9 and name   HA) 2.955 1.092 1.092 weight 1.000 spectrum  2 peak   316 ! spec=13CARO, no=316, id=3341, vol=2.240000e+05
    or (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid    9 and name   HA) 2.955 1.092 1.092 weight 1.000 spectrum  2 peak   316 ! spec=13CARO, no=316, id=3341, vol=2.240000e+05
    or (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid    9 and name   HA) 2.955 1.092 1.092 weight 1.000 spectrum  2 peak   316 ! spec=13CARO, no=316, id=3341, vol=2.240000e+05
    or (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid    9 and name   HA) 2.955 1.092 1.092 weight 1.000 spectrum  2 peak   316 ! spec=13CARO, no=316, id=3341, vol=2.240000e+05
    or (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HG#) 2.930 1.073 1.073 weight 1.000 spectrum  2 peak   317 ! spec=13CARO, no=317, id=3342, vol=2.360000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HG#) 2.930 1.073 1.073 weight 1.000 spectrum  2 peak   317 ! spec=13CARO, no=317, id=3342, vol=2.360000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HG#) 2.930 1.073 1.073 weight 1.000 spectrum  2 peak   317 ! spec=13CARO, no=317, id=3342, vol=2.360000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HG#) 2.930 1.073 1.073 weight 1.000 spectrum  2 peak   317 ! spec=13CARO, no=317, id=3342, vol=2.360000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HB#) 3.056 1.168 1.168 weight 1.000 spectrum  2 peak   319 ! spec=13CARO, no=319, id=3344, vol=1.830000e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HB#) 3.056 1.168 1.168 weight 1.000 spectrum  2 peak   319 ! spec=13CARO, no=319, id=3344, vol=1.830000e+05
    or (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HB#) 3.056 1.168 1.168 weight 1.000 spectrum  2 peak   319 ! spec=13CARO, no=319, id=3344, vol=1.830000e+05
    or (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HB#) 3.056 1.168 1.168 weight 1.000 spectrum  2 peak   319 ! spec=13CARO, no=319, id=3344, vol=1.830000e+05
    or (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HG#) 3.085 1.190 1.190 weight 1.000 spectrum  2 peak   320 ! spec=13CARO, no=320, id=3345, vol=1.730000e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HG#) 3.085 1.190 1.190 weight 1.000 spectrum  2 peak   320 ! spec=13CARO, no=320, id=3345, vol=1.730000e+05
    or (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HG#) 3.085 1.190 1.190 weight 1.000 spectrum  2 peak   320 ! spec=13CARO, no=320, id=3345, vol=1.730000e+05
    or (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HG#) 3.085 1.190 1.190 weight 1.000 spectrum  2 peak   320 ! spec=13CARO, no=320, id=3345, vol=1.730000e+05
    or (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   321 ! spec=13CARO, no=321, id=3346, vol=1.670000e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   321 ! spec=13CARO, no=321, id=3346, vol=1.670000e+05
    or (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   321 ! spec=13CARO, no=321, id=3346, vol=1.670000e+05
    or (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   321 ! spec=13CARO, no=321, id=3346, vol=1.670000e+05
    or (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.500 2.500 3.771 weight 1.000 spectrum  2 peak   336 ! spec=13CARO, no=336, id=3351, vol=6.110000e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   B" and resid    4 and name HG2#)
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.500 2.500 3.771 weight 1.000 spectrum  2 peak   336 ! spec=13CARO, no=336, id=3351, vol=6.110000e+05
    or (segid "   B" and resid    7 and name   HA) (segid "   A" and resid    4 and name HG2#)
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.500 2.500 3.771 weight 1.000 spectrum  2 peak   336 ! spec=13CARO, no=336, id=3351, vol=6.110000e+05
    or (segid "   C" and resid    7 and name   HA) (segid "   D" and resid    4 and name HG2#)
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.500 2.500 3.771 weight 1.000 spectrum  2 peak   336 ! spec=13CARO, no=336, id=3351, vol=6.110000e+05
    or (segid "   D" and resid    7 and name   HA) (segid "   C" and resid    4 and name HG2#)
assign (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    5 and name  HD#) 2.410 0.726 0.726 weight 1.000 spectrum  2 peak   357 ! spec=13CARO, no=357, id=3354, vol=7.620000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    5 and name  HD#) 2.410 0.726 0.726 weight 1.000 spectrum  2 peak   357 ! spec=13CARO, no=357, id=3354, vol=7.620000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    5 and name  HD#) 2.410 0.726 0.726 weight 1.000 spectrum  2 peak   357 ! spec=13CARO, no=357, id=3354, vol=7.620000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    5 and name  HD#) 2.410 0.726 0.726 weight 1.000 spectrum  2 peak   357 ! spec=13CARO, no=357, id=3354, vol=7.620000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    5 and name  HD#) 2.702 0.913 0.913 weight 1.000 spectrum  2 peak   360 ! spec=13CARO, no=360, id=3356, vol=3.830000e+05
    or (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    5 and name  HE#)
assign (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    5 and name  HD#) 2.702 0.913 0.913 weight 1.000 spectrum  2 peak   360 ! spec=13CARO, no=360, id=3356, vol=3.830000e+05
    or (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    5 and name  HE#)
assign (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    5 and name  HD#) 2.702 0.913 0.913 weight 1.000 spectrum  2 peak   360 ! spec=13CARO, no=360, id=3356, vol=3.830000e+05
    or (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    5 and name  HE#)
assign (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    5 and name  HD#) 2.702 0.913 0.913 weight 1.000 spectrum  2 peak   360 ! spec=13CARO, no=360, id=3356, vol=3.830000e+05
    or (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    5 and name  HE#)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HA) 3.380 1.428 1.428 weight 1.000 spectrum  2 peak   375 ! spec=13CARO, no=375, id=3365, vol=1.000000e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name   HA) 3.380 1.428 1.428 weight 1.000 spectrum  2 peak   375 ! spec=13CARO, no=375, id=3365, vol=1.000000e+05
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name   HA) 3.380 1.428 1.428 weight 1.000 spectrum  2 peak   375 ! spec=13CARO, no=375, id=3365, vol=1.000000e+05
    or (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name   HA) 3.380 1.428 1.428 weight 1.000 spectrum  2 peak   375 ! spec=13CARO, no=375, id=3365, vol=1.000000e+05
    or (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   37 and name   HA) 3.852 1.854 1.854 weight 1.000 spectrum  2 peak   376 ! spec=13CARO, no=376, id=3366, vol=4.570000e+04
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA)
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   37 and name   HA) 3.852 1.854 1.854 weight 1.000 spectrum  2 peak   376 ! spec=13CARO, no=376, id=3366, vol=4.570000e+04
    or (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   14 and name   HA)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   37 and name   HA) 3.852 1.854 1.854 weight 1.000 spectrum  2 peak   376 ! spec=13CARO, no=376, id=3366, vol=4.570000e+04
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name   HA)
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   37 and name   HA) 3.852 1.854 1.854 weight 1.000 spectrum  2 peak   376 ! spec=13CARO, no=376, id=3366, vol=4.570000e+04
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name   HA)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 2.745 0.942 0.942 weight 1.000 spectrum  2 peak   377 ! spec=13CARO, no=377, id=3367, vol=3.490000e+05
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name   HA) 2.745 0.942 0.942 weight 1.000 spectrum  2 peak   377 ! spec=13CARO, no=377, id=3367, vol=3.490000e+05
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name   HA)
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name   HA) 2.745 0.942 0.942 weight 1.000 spectrum  2 peak   377 ! spec=13CARO, no=377, id=3367, vol=3.490000e+05
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name   HA)
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name   HA) 2.745 0.942 0.942 weight 1.000 spectrum  2 peak   377 ! spec=13CARO, no=377, id=3367, vol=3.490000e+05
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name   HA)
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   378 ! spec=13CARO, no=378, id=3368, vol=1.800000e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HA)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   378 ! spec=13CARO, no=378, id=3368, vol=1.800000e+05
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name   HA)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   378 ! spec=13CARO, no=378, id=3368, vol=1.800000e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name   HA)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   378 ! spec=13CARO, no=378, id=3368, vol=1.800000e+05
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HA) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   379 ! spec=13CARO, no=379, id=3369, vol=2.000000e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   39 and name   HA)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name   HA) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   379 ! spec=13CARO, no=379, id=3369, vol=2.000000e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   39 and name   HA)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name   HA) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   379 ! spec=13CARO, no=379, id=3369, vol=2.000000e+05
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name   HA)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name   HA) 3.011 1.134 1.134 weight 1.000 spectrum  2 peak   379 ! spec=13CARO, no=379, id=3369, vol=2.000000e+05
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   39 and name   HA)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name   HA) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   382 ! spec=13CARO, no=382, id=3372, vol=2.340000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   19 and name   HA) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   382 ! spec=13CARO, no=382, id=3372, vol=2.340000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   19 and name   HA) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   382 ! spec=13CARO, no=382, id=3372, vol=2.340000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   19 and name   HA) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   382 ! spec=13CARO, no=382, id=3372, vol=2.340000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HA) 3.552 1.577 1.577 weight 1.000 spectrum  2 peak   383 ! spec=13CARO, no=383, id=3373, vol=7.430000e+04
    or (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   25 and name   HA)
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   25 and name   HA) 3.552 1.577 1.577 weight 1.000 spectrum  2 peak   383 ! spec=13CARO, no=383, id=3373, vol=7.430000e+04
    or (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   25 and name   HA)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   25 and name   HA) 3.552 1.577 1.577 weight 1.000 spectrum  2 peak   383 ! spec=13CARO, no=383, id=3373, vol=7.430000e+04
    or (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HA)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   25 and name   HA) 3.552 1.577 1.577 weight 1.000 spectrum  2 peak   383 ! spec=13CARO, no=383, id=3373, vol=7.430000e+04
    or (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   25 and name   HA)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  2 peak   390 ! spec=13CARO, no=390, id=3380, vol=7.320000e+04
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HA)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  2 peak   390 ! spec=13CARO, no=390, id=3380, vol=7.320000e+04
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name   HA)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name   HA)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  2 peak   390 ! spec=13CARO, no=390, id=3380, vol=7.320000e+04
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name   HA)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name   HA)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  2 peak   390 ! spec=13CARO, no=390, id=3380, vol=7.320000e+04
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name   HA)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   20 and name   HA) 3.257 1.326 1.326 weight 1.000 spectrum  2 peak   391 ! spec=13CARO, no=391, id=3381, vol=1.250000e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   20 and name   HA) 3.257 1.326 1.326 weight 1.000 spectrum  2 peak   391 ! spec=13CARO, no=391, id=3381, vol=1.250000e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name   HA)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   20 and name   HA) 3.257 1.326 1.326 weight 1.000 spectrum  2 peak   391 ! spec=13CARO, no=391, id=3381, vol=1.250000e+05
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name   HA)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   20 and name   HA) 3.257 1.326 1.326 weight 1.000 spectrum  2 peak   391 ! spec=13CARO, no=391, id=3381, vol=1.250000e+05
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name   HA)
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  2 peak   392 ! spec=13CARO, no=392, id=3382, vol=2.460000e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  2 peak   392 ! spec=13CARO, no=392, id=3382, vol=2.460000e+05
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  2 peak   392 ! spec=13CARO, no=392, id=3382, vol=2.460000e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  2 peak   392 ! spec=13CARO, no=392, id=3382, vol=2.460000e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.643 0.873 0.873 weight 1.000 spectrum  2 peak   393 ! spec=13CARO, no=393, id=3383, vol=4.380000e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   24 and name   HA) 2.643 0.873 0.873 weight 1.000 spectrum  2 peak   393 ! spec=13CARO, no=393, id=3383, vol=4.380000e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name   HA)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name   HA)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name   HA) 2.643 0.873 0.873 weight 1.000 spectrum  2 peak   393 ! spec=13CARO, no=393, id=3383, vol=4.380000e+05
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name   HA)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name   HA)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   24 and name   HA) 2.643 0.873 0.873 weight 1.000 spectrum  2 peak   393 ! spec=13CARO, no=393, id=3383, vol=4.380000e+05
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name   HA) 3.100 1.201 1.201 weight 1.000 spectrum  2 peak   394 ! spec=13CARO, no=394, id=3384, vol=1.680000e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   15 and name   HA) 3.100 1.201 1.201 weight 1.000 spectrum  2 peak   394 ! spec=13CARO, no=394, id=3384, vol=1.680000e+05
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   28 and name   HA)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   15 and name   HA) 3.100 1.201 1.201 weight 1.000 spectrum  2 peak   394 ! spec=13CARO, no=394, id=3384, vol=1.680000e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   15 and name   HA) 3.100 1.201 1.201 weight 1.000 spectrum  2 peak   394 ! spec=13CARO, no=394, id=3384, vol=1.680000e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   28 and name   HA)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   396 ! spec=13CARO, no=396, id=3386, vol=2.290000e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   396 ! spec=13CARO, no=396, id=3386, vol=2.290000e+05
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   396 ! spec=13CARO, no=396, id=3386, vol=2.290000e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   396 ! spec=13CARO, no=396, id=3386, vol=2.290000e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid    8 and name HE2#) (segid "   B" and resid    4 and name   HB) 3.550 1.576 1.576 weight 1.000 spectrum  2 peak   404 ! spec=13CARO, no=404, id=3394, vol=7.450000e+04
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid    8 and name HE2#) (segid "   A" and resid    4 and name   HB) 3.550 1.576 1.576 weight 1.000 spectrum  2 peak   404 ! spec=13CARO, no=404, id=3394, vol=7.450000e+04
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid    8 and name HE2#) (segid "   D" and resid    4 and name   HB) 3.550 1.576 1.576 weight 1.000 spectrum  2 peak   404 ! spec=13CARO, no=404, id=3394, vol=7.450000e+04
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid    8 and name HE2#) (segid "   C" and resid    4 and name   HB) 3.550 1.576 1.576 weight 1.000 spectrum  2 peak   404 ! spec=13CARO, no=404, id=3394, vol=7.450000e+04
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name  HE#) 3.288 1.352 1.827 weight 1.000 spectrum  2 peak   405 ! spec=13CARO, no=405, id=3395, vol=1.180000e+05
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   15 and name  HE#)
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   15 and name  HE#) 3.288 1.352 1.827 weight 1.000 spectrum  2 peak   405 ! spec=13CARO, no=405, id=3395, vol=1.180000e+05
    or (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   15 and name  HE#)
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   15 and name  HE#) 3.288 1.352 1.827 weight 1.000 spectrum  2 peak   405 ! spec=13CARO, no=405, id=3395, vol=1.180000e+05
    or (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   15 and name  HE#)
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   15 and name  HE#) 3.288 1.352 1.827 weight 1.000 spectrum  2 peak   405 ! spec=13CARO, no=405, id=3395, vol=1.180000e+05
    or (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   15 and name  HE#)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   16 and name   HA) 3.986 1.986 1.986 weight 1.000 spectrum  2 peak   407 ! spec=13CARO, no=407, id=3397, vol=3.720000e+04
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   16 and name   HA) 3.986 1.986 1.986 weight 1.000 spectrum  2 peak   407 ! spec=13CARO, no=407, id=3397, vol=3.720000e+04
    or (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   16 and name   HA) 3.986 1.986 1.986 weight 1.000 spectrum  2 peak   407 ! spec=13CARO, no=407, id=3397, vol=3.720000e+04
    or (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   16 and name   HA) 3.986 1.986 1.986 weight 1.000 spectrum  2 peak   407 ! spec=13CARO, no=407, id=3397, vol=3.720000e+04
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   15 and name  HE#) 3.864 1.867 1.867 weight 1.000 spectrum  2 peak   409 ! spec=13CARO, no=409, id=3399, vol=4.480000e+04
    or (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   15 and name  HE#) 3.864 1.867 1.867 weight 1.000 spectrum  2 peak   409 ! spec=13CARO, no=409, id=3399, vol=4.480000e+04
    or (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   15 and name  HE#) 3.864 1.867 1.867 weight 1.000 spectrum  2 peak   409 ! spec=13CARO, no=409, id=3399, vol=4.480000e+04
    or (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   15 and name  HE#) 3.864 1.867 1.867 weight 1.000 spectrum  2 peak   409 ! spec=13CARO, no=409, id=3399, vol=4.480000e+04
    or (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid    4 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  2 peak   412 ! spec=13CARO, no=412, id=3402, vol=1.030000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name   HA)
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid    4 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  2 peak   412 ! spec=13CARO, no=412, id=3402, vol=1.030000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name   HA)
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid    4 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  2 peak   412 ! spec=13CARO, no=412, id=3402, vol=1.030000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name   HA)
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid    4 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  2 peak   412 ! spec=13CARO, no=412, id=3402, vol=1.030000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name   HA)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   14 and name  HB#) 1.852 1.852 4.148 weight 1.000 spectrum  2 peak   432 ! spec=13CARO, no=432, id=3403, vol=3.700000e+06
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   23 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   14 and name  HB#) 1.852 1.852 4.148 weight 1.000 spectrum  2 peak   432 ! spec=13CARO, no=432, id=3403, vol=3.700000e+06
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   23 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   14 and name  HB#) 1.852 1.852 4.148 weight 1.000 spectrum  2 peak   432 ! spec=13CARO, no=432, id=3403, vol=3.700000e+06
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   23 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   14 and name  HB#) 1.852 1.852 4.148 weight 1.000 spectrum  2 peak   432 ! spec=13CARO, no=432, id=3403, vol=3.700000e+06
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   23 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   19 and name   HA) 2.381 2.381 3.619 weight 1.000 spectrum  2 peak   445 ! spec=13CARO, no=445, id=3405, vol=8.180000e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid    4 and name HG2#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   19 and name   HA) 2.381 2.381 3.619 weight 1.000 spectrum  2 peak   445 ! spec=13CARO, no=445, id=3405, vol=8.180000e+05
    or (segid "   B" and resid   19 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid    4 and name HG2#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   19 and name   HA) 2.381 2.381 3.619 weight 1.000 spectrum  2 peak   445 ! spec=13CARO, no=445, id=3405, vol=8.180000e+05
    or (segid "   C" and resid   19 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid    4 and name HG2#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   19 and name   HA) 2.381 2.381 3.619 weight 1.000 spectrum  2 peak   445 ! spec=13CARO, no=445, id=3405, vol=8.180000e+05
    or (segid "   D" and resid   19 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid    4 and name HG2#)
assign (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HG2#) 1.812 0.410 0.410 weight 1.000 spectrum  2 peak   454 ! spec=13CARO, no=454, id=3409, vol=4.220000e+06
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    4 and name   HB)
assign (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HG2#) 1.812 0.410 0.410 weight 1.000 spectrum  2 peak   454 ! spec=13CARO, no=454, id=3409, vol=4.220000e+06
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    4 and name   HB)
assign (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HG2#) 1.812 0.410 0.410 weight 1.000 spectrum  2 peak   454 ! spec=13CARO, no=454, id=3409, vol=4.220000e+06
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    4 and name   HB)
assign (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HG2#) 1.812 0.410 0.410 weight 1.000 spectrum  2 peak   454 ! spec=13CARO, no=454, id=3409, vol=4.220000e+06
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    4 and name   HB)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   11 and name  HA#) 1.886 1.886 4.114 weight 1.000 spectrum  2 peak   455 ! spec=13CARO, no=455, id=3410, vol=3.320000e+06
    or (segid "   A" and resid   11 and name  HA#) (segid "   B" and resid    4 and name HG2#)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   15 and name   HA) (segid "   B" and resid    4 and name HG2#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   11 and name  HA#) 1.886 1.886 4.114 weight 1.000 spectrum  2 peak   455 ! spec=13CARO, no=455, id=3410, vol=3.320000e+06
    or (segid "   B" and resid   11 and name  HA#) (segid "   A" and resid    4 and name HG2#)
    or (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   15 and name   HA)
    or (segid "   B" and resid   15 and name   HA) (segid "   A" and resid    4 and name HG2#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   11 and name  HA#) 1.886 1.886 4.114 weight 1.000 spectrum  2 peak   455 ! spec=13CARO, no=455, id=3410, vol=3.320000e+06
    or (segid "   C" and resid   11 and name  HA#) (segid "   D" and resid    4 and name HG2#)
    or (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   15 and name   HA)
    or (segid "   C" and resid   15 and name   HA) (segid "   D" and resid    4 and name HG2#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   11 and name  HA#) 1.886 1.886 4.114 weight 1.000 spectrum  2 peak   455 ! spec=13CARO, no=455, id=3410, vol=3.320000e+06
    or (segid "   D" and resid   11 and name  HA#) (segid "   C" and resid    4 and name HG2#)
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   15 and name   HA)
    or (segid "   D" and resid   15 and name   HA) (segid "   C" and resid    4 and name HG2#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   43 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.100 2.100 3.900 weight 1.000 spectrum  2 peak   457 ! spec=13CARO, no=457, id=3411, vol=1.740000e+06
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   25 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   25 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   B" and resid   43 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.100 2.100 3.900 weight 1.000 spectrum  2 peak   457 ! spec=13CARO, no=457, id=3411, vol=1.740000e+06
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   13 and name   HA)
    or (segid "   B" and resid   25 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   25 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   C" and resid   43 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.100 2.100 3.900 weight 1.000 spectrum  2 peak   457 ! spec=13CARO, no=457, id=3411, vol=1.740000e+06
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   13 and name   HA)
    or (segid "   C" and resid   25 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   25 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   D" and resid   43 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.100 2.100 3.900 weight 1.000 spectrum  2 peak   457 ! spec=13CARO, no=457, id=3411, vol=1.740000e+06
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   13 and name   HA)
    or (segid "   D" and resid   25 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   25 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA) 2.351 0.691 0.691 weight 1.000 spectrum  2 peak   458 ! spec=13CARO, no=458, id=3412, vol=8.830000e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA) 2.351 0.691 0.691 weight 1.000 spectrum  2 peak   458 ! spec=13CARO, no=458, id=3412, vol=8.830000e+05
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA) 2.351 0.691 0.691 weight 1.000 spectrum  2 peak   458 ! spec=13CARO, no=458, id=3412, vol=8.830000e+05
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA) 2.351 0.691 0.691 weight 1.000 spectrum  2 peak   458 ! spec=13CARO, no=458, id=3412, vol=8.830000e+05
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   18 and name   HA) 2.513 0.790 0.790 weight 1.000 spectrum  2 peak   459 ! spec=13CARO, no=459, id=3413, vol=5.920000e+05
    or (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   18 and name   HA) 2.513 0.790 0.790 weight 1.000 spectrum  2 peak   459 ! spec=13CARO, no=459, id=3413, vol=5.920000e+05
    or (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   18 and name   HA) 2.513 0.790 0.790 weight 1.000 spectrum  2 peak   459 ! spec=13CARO, no=459, id=3413, vol=5.920000e+05
    or (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   18 and name   HA) 2.513 0.790 0.790 weight 1.000 spectrum  2 peak   459 ! spec=13CARO, no=459, id=3413, vol=5.920000e+05
    or (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   13 and name   HA) 2.157 2.157 3.843 weight 1.000 spectrum  2 peak   463 ! spec=13CARO, no=463, id=3417, vol=1.480000e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   13 and name   HA) 2.157 2.157 3.843 weight 1.000 spectrum  2 peak   463 ! spec=13CARO, no=463, id=3417, vol=1.480000e+06
    or (segid "   B" and resid   13 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   13 and name   HA) 2.157 2.157 3.843 weight 1.000 spectrum  2 peak   463 ! spec=13CARO, no=463, id=3417, vol=1.480000e+06
    or (segid "   C" and resid   13 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   13 and name   HA) 2.157 2.157 3.843 weight 1.000 spectrum  2 peak   463 ! spec=13CARO, no=463, id=3417, vol=1.480000e+06
    or (segid "   D" and resid   13 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   17 and name HG2#) 2.534 0.803 0.803 weight 1.000 spectrum  2 peak   466 ! spec=13CARO, no=466, id=3418, vol=5.630000e+05
    or (segid "   A" and resid   18 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   17 and name HG2#) 2.534 0.803 0.803 weight 1.000 spectrum  2 peak   466 ! spec=13CARO, no=466, id=3418, vol=5.630000e+05
    or (segid "   B" and resid   18 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   17 and name HG2#) 2.534 0.803 0.803 weight 1.000 spectrum  2 peak   466 ! spec=13CARO, no=466, id=3418, vol=5.630000e+05
    or (segid "   C" and resid   18 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   17 and name HG2#) 2.534 0.803 0.803 weight 1.000 spectrum  2 peak   466 ! spec=13CARO, no=466, id=3418, vol=5.630000e+05
    or (segid "   D" and resid   18 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name   HA) 1.877 1.877 4.123 weight 1.000 spectrum  2 peak   474 ! spec=13CARO, no=474, id=3423, vol=3.410000e+06
    or (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   23 and name   HA)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name   HA) 1.877 1.877 4.123 weight 1.000 spectrum  2 peak   474 ! spec=13CARO, no=474, id=3423, vol=3.410000e+06
    or (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   23 and name   HA)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name   HA) 1.877 1.877 4.123 weight 1.000 spectrum  2 peak   474 ! spec=13CARO, no=474, id=3423, vol=3.410000e+06
    or (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   23 and name   HA)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name   HA) 1.877 1.877 4.123 weight 1.000 spectrum  2 peak   474 ! spec=13CARO, no=474, id=3423, vol=3.410000e+06
    or (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   23 and name   HA)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name   HA) 1.927 1.927 4.073 weight 1.000 spectrum  2 peak   475 ! spec=13CARO, no=475, id=3424, vol=2.910000e+06
    or (segid "   A" and resid   21 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name   HA) 1.927 1.927 4.073 weight 1.000 spectrum  2 peak   475 ! spec=13CARO, no=475, id=3424, vol=2.910000e+06
    or (segid "   B" and resid   21 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name   HA) 1.927 1.927 4.073 weight 1.000 spectrum  2 peak   475 ! spec=13CARO, no=475, id=3424, vol=2.910000e+06
    or (segid "   C" and resid   21 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name   HA) 1.927 1.927 4.073 weight 1.000 spectrum  2 peak   475 ! spec=13CARO, no=475, id=3424, vol=2.910000e+06
    or (segid "   D" and resid   21 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   24 and name   HA) 3.062 3.062 2.938 weight 1.000 spectrum  2 peak   484 ! spec=13CARO, no=484, id=3429, vol=1.810000e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   24 and name   HA) 3.062 3.062 2.938 weight 1.000 spectrum  2 peak   484 ! spec=13CARO, no=484, id=3429, vol=1.810000e+05
    or (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   24 and name   HA) 3.062 3.062 2.938 weight 1.000 spectrum  2 peak   484 ! spec=13CARO, no=484, id=3429, vol=1.810000e+05
    or (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   24 and name   HA) 3.062 3.062 2.938 weight 1.000 spectrum  2 peak   484 ! spec=13CARO, no=484, id=3429, vol=1.810000e+05
    or (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA) 3.337 1.392 1.392 weight 1.000 spectrum  2 peak   485 ! spec=13CARO, no=485, id=3430, vol=1.080000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA) 3.337 1.392 1.392 weight 1.000 spectrum  2 peak   485 ! spec=13CARO, no=485, id=3430, vol=1.080000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   20 and name   HA)
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA) 3.337 1.392 1.392 weight 1.000 spectrum  2 peak   485 ! spec=13CARO, no=485, id=3430, vol=1.080000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   20 and name   HA)
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA) 3.337 1.392 1.392 weight 1.000 spectrum  2 peak   485 ! spec=13CARO, no=485, id=3430, vol=1.080000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   20 and name   HA)
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   18 and name  HB#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   486 ! spec=13CARO, no=486, id=3431, vol=2.690000e+05
    or (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   18 and name  HB#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   486 ! spec=13CARO, no=486, id=3431, vol=2.690000e+05
    or (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   18 and name  HB#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   486 ! spec=13CARO, no=486, id=3431, vol=2.690000e+05
    or (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   18 and name  HB#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   486 ! spec=13CARO, no=486, id=3431, vol=2.690000e+05
    or (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   17 and name HG1#) 2.663 2.663 3.587 weight 1.000 spectrum  2 peak   487 ! spec=13CARO, no=487, id=3432, vol=4.180000e+05
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   17 and name HG1#)
    or (segid "   A" and resid   15 and name   HA) (segid "   D" and resid   17 and name HG1#)
    or (segid "   A" and resid   24 and name  HB#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   17 and name HG1#) 2.663 2.663 3.587 weight 1.000 spectrum  2 peak   487 ! spec=13CARO, no=487, id=3432, vol=4.180000e+05
    or (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   17 and name HG1#)
    or (segid "   B" and resid   15 and name   HA) (segid "   C" and resid   17 and name HG1#)
    or (segid "   B" and resid   24 and name  HB#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   17 and name HG1#) 2.663 2.663 3.587 weight 1.000 spectrum  2 peak   487 ! spec=13CARO, no=487, id=3432, vol=4.180000e+05
    or (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   17 and name HG1#)
    or (segid "   C" and resid   15 and name   HA) (segid "   B" and resid   17 and name HG1#)
    or (segid "   C" and resid   24 and name  HB#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   17 and name HG1#) 2.663 2.663 3.587 weight 1.000 spectrum  2 peak   487 ! spec=13CARO, no=487, id=3432, vol=4.180000e+05
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   17 and name HG1#)
    or (segid "   D" and resid   15 and name   HA) (segid "   A" and resid   17 and name HG1#)
    or (segid "   D" and resid   24 and name  HB#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HG1#) 2.361 2.361 3.639 weight 1.000 spectrum  2 peak   522 ! spec=13CARO, no=522, id=3436, vol=8.620000e+05
    or (segid "   A" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HG1#) 2.361 2.361 3.639 weight 1.000 spectrum  2 peak   522 ! spec=13CARO, no=522, id=3436, vol=8.620000e+05
    or (segid "   B" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HG1#) 2.361 2.361 3.639 weight 1.000 spectrum  2 peak   522 ! spec=13CARO, no=522, id=3436, vol=8.620000e+05
    or (segid "   C" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HG1#) 2.361 2.361 3.639 weight 1.000 spectrum  2 peak   522 ! spec=13CARO, no=522, id=3436, vol=8.620000e+05
    or (segid "   D" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    4 and name HG2#) 2.999 2.999 3.001 weight 1.000 spectrum  2 peak   526 ! spec=13CARO, no=526, id=3438, vol=2.050000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    4 and name HG2#) 2.999 2.999 3.001 weight 1.000 spectrum  2 peak   526 ! spec=13CARO, no=526, id=3438, vol=2.050000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    4 and name HG2#) 2.999 2.999 3.001 weight 1.000 spectrum  2 peak   526 ! spec=13CARO, no=526, id=3438, vol=2.050000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    4 and name HG2#) 2.999 2.999 3.001 weight 1.000 spectrum  2 peak   526 ! spec=13CARO, no=526, id=3438, vol=2.050000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   16 and name   HA) 1.919 1.919 4.081 weight 1.000 spectrum  2 peak   531 ! spec=13CARO, no=531, id=3440, vol=2.990000e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   16 and name   HA) 1.919 1.919 4.081 weight 1.000 spectrum  2 peak   531 ! spec=13CARO, no=531, id=3440, vol=2.990000e+06
    or (segid "   B" and resid   16 and name   HA) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   16 and name   HA) 1.919 1.919 4.081 weight 1.000 spectrum  2 peak   531 ! spec=13CARO, no=531, id=3440, vol=2.990000e+06
    or (segid "   C" and resid   16 and name   HA) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   16 and name   HA) 1.919 1.919 4.081 weight 1.000 spectrum  2 peak   531 ! spec=13CARO, no=531, id=3440, vol=2.990000e+06
    or (segid "   D" and resid   16 and name   HA) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#) 2.849 2.849 3.151 weight 1.000 spectrum  2 peak   535 ! spec=13CARO, no=535, id=3442, vol=2.790000e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   A" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   42 and name   HA) (segid "   C" and resid    4 and name HG2#)
    or (segid "   A" and resid   44 and name   HA) (segid "   C" and resid    4 and name HG2#)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid    4 and name HG2#)
    or (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#)
assign (segid "   B" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#) 2.849 2.849 3.151 weight 1.000 spectrum  2 peak   535 ! spec=13CARO, no=535, id=3442, vol=2.790000e+05
    or (segid "   B" and resid   24 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   B" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   42 and name   HA) (segid "   D" and resid    4 and name HG2#)
    or (segid "   B" and resid   44 and name   HA) (segid "   D" and resid    4 and name HG2#)
    or (segid "   B" and resid   24 and name   HA) (segid "   B" and resid    4 and name HG2#)
    or (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#)
assign (segid "   C" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#) 2.849 2.849 3.151 weight 1.000 spectrum  2 peak   535 ! spec=13CARO, no=535, id=3442, vol=2.790000e+05
    or (segid "   C" and resid   24 and name   HA) (segid "   D" and resid   17 and name HD1#)
    or (segid "   C" and resid   24 and name   HA) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name   HA) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   42 and name   HA) (segid "   A" and resid    4 and name HG2#)
    or (segid "   C" and resid   44 and name   HA) (segid "   A" and resid    4 and name HG2#)
    or (segid "   C" and resid   24 and name   HA) (segid "   C" and resid    4 and name HG2#)
    or (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#)
assign (segid "   D" and resid   24 and name   HA) (segid "   C" and resid   17 and name HG2#) 2.849 2.849 3.151 weight 1.000 spectrum  2 peak   535 ! spec=13CARO, no=535, id=3442, vol=2.790000e+05
    or (segid "   D" and resid   24 and name   HA) (segid "   C" and resid   17 and name HD1#)
    or (segid "   D" and resid   24 and name   HA) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name   HA) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   42 and name   HA) (segid "   B" and resid    4 and name HG2#)
    or (segid "   D" and resid   44 and name   HA) (segid "   B" and resid    4 and name HG2#)
    or (segid "   D" and resid   24 and name   HA) (segid "   D" and resid    4 and name HG2#)
    or (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   17 and name HG2#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 3.029 1.147 1.147 weight 1.000 spectrum  2 peak   537 ! spec=13CARO, no=537, id=3444, vol=1.930000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 3.029 1.147 1.147 weight 1.000 spectrum  2 peak   537 ! spec=13CARO, no=537, id=3444, vol=1.930000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 3.029 1.147 1.147 weight 1.000 spectrum  2 peak   537 ! spec=13CARO, no=537, id=3444, vol=1.930000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 3.029 1.147 1.147 weight 1.000 spectrum  2 peak   537 ! spec=13CARO, no=537, id=3444, vol=1.930000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HE#) 2.077 0.539 0.539 weight 1.000 spectrum  2 peak   539 ! spec=13CARO, no=539, id=3446, vol=1.860000e+06
    or (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HB#)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HE#) 2.077 0.539 0.539 weight 1.000 spectrum  2 peak   539 ! spec=13CARO, no=539, id=3446, vol=1.860000e+06
    or (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HB#)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HE#) 2.077 0.539 0.539 weight 1.000 spectrum  2 peak   539 ! spec=13CARO, no=539, id=3446, vol=1.860000e+06
    or (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HB#)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HE#) 2.077 0.539 0.539 weight 1.000 spectrum  2 peak   539 ! spec=13CARO, no=539, id=3446, vol=1.860000e+06
    or (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HB#)
assign (segid "   A" and resid    6 and name  HB#) (segid "   D" and resid   48 and name  HB#) 2.380 0.708 0.708 weight 1.000 spectrum  2 peak   541 ! spec=13CARO, no=541, id=3448, vol=8.200000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HE#)
assign (segid "   B" and resid    6 and name  HB#) (segid "   C" and resid   48 and name  HB#) 2.380 0.708 0.708 weight 1.000 spectrum  2 peak   541 ! spec=13CARO, no=541, id=3448, vol=8.200000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HE#)
assign (segid "   C" and resid    6 and name  HB#) (segid "   B" and resid   48 and name  HB#) 2.380 0.708 0.708 weight 1.000 spectrum  2 peak   541 ! spec=13CARO, no=541, id=3448, vol=8.200000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HE#)
assign (segid "   D" and resid    6 and name  HB#) (segid "   A" and resid   48 and name  HB#) 2.380 0.708 0.708 weight 1.000 spectrum  2 peak   541 ! spec=13CARO, no=541, id=3448, vol=8.200000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HE#)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   18 and name  HB#) 2.787 0.971 0.971 weight 1.000 spectrum  2 peak   562 ! spec=13CARO, no=562, id=3469, vol=3.180000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#)
    or (segid "   A" and resid   36 and name   HA) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid   16 and name   HA) (segid "   B" and resid   18 and name  HB#) 2.787 0.971 0.971 weight 1.000 spectrum  2 peak   562 ! spec=13CARO, no=562, id=3469, vol=3.180000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#)
    or (segid "   B" and resid   36 and name   HA) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid   16 and name   HA) (segid "   C" and resid   18 and name  HB#) 2.787 0.971 0.971 weight 1.000 spectrum  2 peak   562 ! spec=13CARO, no=562, id=3469, vol=3.180000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#)
    or (segid "   C" and resid   36 and name   HA) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid   16 and name   HA) (segid "   D" and resid   18 and name  HB#) 2.787 0.971 0.971 weight 1.000 spectrum  2 peak   562 ! spec=13CARO, no=562, id=3469, vol=3.180000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#)
    or (segid "   D" and resid   36 and name   HA) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   36 and name   HA) 2.498 0.780 0.780 weight 1.000 spectrum  2 peak   563 ! spec=13CARO, no=563, id=3470, vol=6.140000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name   HA)
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   36 and name   HA) 2.498 0.780 0.780 weight 1.000 spectrum  2 peak   563 ! spec=13CARO, no=563, id=3470, vol=6.140000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name   HA)
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   36 and name   HA) 2.498 0.780 0.780 weight 1.000 spectrum  2 peak   563 ! spec=13CARO, no=563, id=3470, vol=6.140000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name   HA)
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   36 and name   HA) 2.498 0.780 0.780 weight 1.000 spectrum  2 peak   563 ! spec=13CARO, no=563, id=3470, vol=6.140000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name   HA)
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name  HD#) 2.770 0.959 0.959 weight 1.000 spectrum  2 peak   568 ! spec=13CARO, no=568, id=3475, vol=3.300000e+05
    or (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#)
assign (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   32 and name  HD#) 2.770 0.959 0.959 weight 1.000 spectrum  2 peak   568 ! spec=13CARO, no=568, id=3475, vol=3.300000e+05
    or (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#)
assign (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   32 and name  HD#) 2.770 0.959 0.959 weight 1.000 spectrum  2 peak   568 ! spec=13CARO, no=568, id=3475, vol=3.300000e+05
    or (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#)
assign (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   32 and name  HD#) 2.770 0.959 0.959 weight 1.000 spectrum  2 peak   568 ! spec=13CARO, no=568, id=3475, vol=3.300000e+05
    or (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#)
assign (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   30 and name   HG) 4.325 2.338 2.338 weight 1.000 spectrum  2 peak   570 ! spec=13CARO, no=570, id=3477, vol=2.280000e+04
    or (segid "   A" and resid   32 and name  HD#) (segid "   C" and resid   30 and name   HG)
assign (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   30 and name   HG) 4.325 2.338 2.338 weight 1.000 spectrum  2 peak   570 ! spec=13CARO, no=570, id=3477, vol=2.280000e+04
    or (segid "   B" and resid   32 and name  HD#) (segid "   D" and resid   30 and name   HG)
assign (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   30 and name   HG) 4.325 2.338 2.338 weight 1.000 spectrum  2 peak   570 ! spec=13CARO, no=570, id=3477, vol=2.280000e+04
    or (segid "   C" and resid   32 and name  HD#) (segid "   A" and resid   30 and name   HG)
assign (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   30 and name   HG) 4.325 2.338 2.338 weight 1.000 spectrum  2 peak   570 ! spec=13CARO, no=570, id=3477, vol=2.280000e+04
    or (segid "   D" and resid   32 and name  HD#) (segid "   B" and resid   30 and name   HG)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.191 0.600 0.600 weight 1.000 spectrum  2 peak   571 ! spec=13CARO, no=571, id=3478, vol=1.350000e+06
    or (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name   HA)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.191 0.600 0.600 weight 1.000 spectrum  2 peak   571 ! spec=13CARO, no=571, id=3478, vol=1.350000e+06
    or (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name   HA)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.191 0.600 0.600 weight 1.000 spectrum  2 peak   571 ! spec=13CARO, no=571, id=3478, vol=1.350000e+06
    or (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name   HA)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.191 0.600 0.600 weight 1.000 spectrum  2 peak   571 ! spec=13CARO, no=571, id=3478, vol=1.350000e+06
    or (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA) 2.347 0.688 0.688 weight 1.000 spectrum  2 peak   572 ! spec=13CARO, no=572, id=3479, vol=8.930000e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA) 2.347 0.688 0.688 weight 1.000 spectrum  2 peak   572 ! spec=13CARO, no=572, id=3479, vol=8.930000e+05
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA) 2.347 0.688 0.688 weight 1.000 spectrum  2 peak   572 ! spec=13CARO, no=572, id=3479, vol=8.930000e+05
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA) 2.347 0.688 0.688 weight 1.000 spectrum  2 peak   572 ! spec=13CARO, no=572, id=3479, vol=8.930000e+05
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name   HA) 2.586 0.836 0.836 weight 1.000 spectrum  2 peak   573 ! spec=13CARO, no=573, id=3480, vol=4.990000e+05
    or (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name   HA) 2.586 0.836 0.836 weight 1.000 spectrum  2 peak   573 ! spec=13CARO, no=573, id=3480, vol=4.990000e+05
    or (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name   HA) 2.586 0.836 0.836 weight 1.000 spectrum  2 peak   573 ! spec=13CARO, no=573, id=3480, vol=4.990000e+05
    or (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name   HA) 2.586 0.836 0.836 weight 1.000 spectrum  2 peak   573 ! spec=13CARO, no=573, id=3480, vol=4.990000e+05
    or (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   19 and name   HA) 2.372 0.703 0.703 weight 1.000 spectrum  2 peak   576 ! spec=13CARO, no=576, id=3483, vol=8.370000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   19 and name   HA) 2.372 0.703 0.703 weight 1.000 spectrum  2 peak   576 ! spec=13CARO, no=576, id=3483, vol=8.370000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name   HA)
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   19 and name   HA) 2.372 0.703 0.703 weight 1.000 spectrum  2 peak   576 ! spec=13CARO, no=576, id=3483, vol=8.370000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name   HA)
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   19 and name   HA) 2.372 0.703 0.703 weight 1.000 spectrum  2 peak   576 ! spec=13CARO, no=576, id=3483, vol=8.370000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name   HA)
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  2 peak   577 ! spec=13CARO, no=577, id=3484, vol=8.070000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  2 peak   577 ! spec=13CARO, no=577, id=3484, vol=8.070000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  2 peak   577 ! spec=13CARO, no=577, id=3484, vol=8.070000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  2 peak   577 ! spec=13CARO, no=577, id=3484, vol=8.070000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HA) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   578 ! spec=13CARO, no=578, id=3485, vol=6.240000e+05
    or (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   19 and name   HA) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HA) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   578 ! spec=13CARO, no=578, id=3485, vol=6.240000e+05
    or (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   19 and name   HA) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HA) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   578 ! spec=13CARO, no=578, id=3485, vol=6.240000e+05
    or (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   19 and name   HA) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HA) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   578 ! spec=13CARO, no=578, id=3485, vol=6.240000e+05
    or (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   19 and name   HA) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.449 0.750 0.750 weight 1.000 spectrum  2 peak   579 ! spec=13CARO, no=579, id=3486, vol=6.920000e+05
    or (segid "   A" and resid   19 and name   HA) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.449 0.750 0.750 weight 1.000 spectrum  2 peak   579 ! spec=13CARO, no=579, id=3486, vol=6.920000e+05
    or (segid "   B" and resid   19 and name   HA) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.449 0.750 0.750 weight 1.000 spectrum  2 peak   579 ! spec=13CARO, no=579, id=3486, vol=6.920000e+05
    or (segid "   C" and resid   19 and name   HA) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.449 0.750 0.750 weight 1.000 spectrum  2 peak   579 ! spec=13CARO, no=579, id=3486, vol=6.920000e+05
    or (segid "   D" and resid   19 and name   HA) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   19 and name   HA) 2.125 0.564 0.564 weight 1.000 spectrum  2 peak   580 ! spec=13CARO, no=580, id=3487, vol=1.620000e+06
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   19 and name   HA) 2.125 0.564 0.564 weight 1.000 spectrum  2 peak   580 ! spec=13CARO, no=580, id=3487, vol=1.620000e+06
    or (segid "   B" and resid   19 and name   HA) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   19 and name   HA) 2.125 0.564 0.564 weight 1.000 spectrum  2 peak   580 ! spec=13CARO, no=580, id=3487, vol=1.620000e+06
    or (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   19 and name   HA) 2.125 0.564 0.564 weight 1.000 spectrum  2 peak   580 ! spec=13CARO, no=580, id=3487, vol=1.620000e+06
    or (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name   HA) 1.916 0.459 0.459 weight 1.000 spectrum  2 peak   581 ! spec=13CARO, no=581, id=3488, vol=3.020000e+06
    or (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   42 and name   HA) (segid "   A" and resid   42 and name  HB#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name   HA) 1.916 0.459 0.459 weight 1.000 spectrum  2 peak   581 ! spec=13CARO, no=581, id=3488, vol=3.020000e+06
    or (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   42 and name   HA) (segid "   B" and resid   42 and name  HB#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name   HA) 1.916 0.459 0.459 weight 1.000 spectrum  2 peak   581 ! spec=13CARO, no=581, id=3488, vol=3.020000e+06
    or (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   42 and name   HA) (segid "   C" and resid   42 and name  HB#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name   HA) 1.916 0.459 0.459 weight 1.000 spectrum  2 peak   581 ! spec=13CARO, no=581, id=3488, vol=3.020000e+06
    or (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   41 and name   HA)
    or (segid "   D" and resid   42 and name   HA) (segid "   D" and resid   42 and name  HB#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   41 and name   HA) 1.926 0.464 0.464 weight 1.000 spectrum  2 peak   582 ! spec=13CARO, no=582, id=3489, vol=2.920000e+06
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   41 and name   HA) 1.926 0.464 0.464 weight 1.000 spectrum  2 peak   582 ! spec=13CARO, no=582, id=3489, vol=2.920000e+06
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   41 and name   HA) 1.926 0.464 0.464 weight 1.000 spectrum  2 peak   582 ! spec=13CARO, no=582, id=3489, vol=2.920000e+06
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   41 and name   HA) 1.926 0.464 0.464 weight 1.000 spectrum  2 peak   582 ! spec=13CARO, no=582, id=3489, vol=2.920000e+06
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    2 and name   HA) 1.977 0.488 0.488 weight 1.000 spectrum  2 peak   585 ! spec=13CARO, no=585, id=3492, vol=2.500000e+06
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   23 and name   HA)
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    2 and name   HA) 1.977 0.488 0.488 weight 1.000 spectrum  2 peak   585 ! spec=13CARO, no=585, id=3492, vol=2.500000e+06
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   23 and name   HA)
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    2 and name   HA) 1.977 0.488 0.488 weight 1.000 spectrum  2 peak   585 ! spec=13CARO, no=585, id=3492, vol=2.500000e+06
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   23 and name   HA)
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    2 and name   HA) 1.977 0.488 0.488 weight 1.000 spectrum  2 peak   585 ! spec=13CARO, no=585, id=3492, vol=2.500000e+06
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   23 and name   HA)
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    2 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   587 ! spec=13CARO, no=587, id=3494, vol=1.470000e+06
    or (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name   HA)
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    2 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   587 ! spec=13CARO, no=587, id=3494, vol=1.470000e+06
    or (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   30 and name   HA)
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name   HA)
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    2 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   587 ! spec=13CARO, no=587, id=3494, vol=1.470000e+06
    or (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   30 and name   HA)
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name   HA)
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    2 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   587 ! spec=13CARO, no=587, id=3494, vol=1.470000e+06
    or (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   30 and name   HA)
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   C" and resid   25 and name   HG) 2.177 0.593 0.593 weight 1.000 spectrum  2 peak   588 ! spec=13CARO, no=588, id=3495, vol=1.400000e+06
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA)
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   45 and name   HA)
assign (segid "   B" and resid   21 and name   HA) (segid "   D" and resid   25 and name   HG) 2.177 0.593 0.593 weight 1.000 spectrum  2 peak   588 ! spec=13CARO, no=588, id=3495, vol=1.400000e+06
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   45 and name   HA)
assign (segid "   C" and resid   21 and name   HA) (segid "   A" and resid   25 and name   HG) 2.177 0.593 0.593 weight 1.000 spectrum  2 peak   588 ! spec=13CARO, no=588, id=3495, vol=1.400000e+06
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA)
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   45 and name   HA)
assign (segid "   D" and resid   21 and name   HA) (segid "   B" and resid   25 and name   HG) 2.177 0.593 0.593 weight 1.000 spectrum  2 peak   588 ! spec=13CARO, no=588, id=3495, vol=1.400000e+06
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA)
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   45 and name   HA)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA) 2.172 0.590 1.089 weight 1.000 spectrum  2 peak   589 ! spec=13CARO, no=589, id=3496, vol=1.420000e+06
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   30 and name   HA) 2.172 0.590 1.089 weight 1.000 spectrum  2 peak   589 ! spec=13CARO, no=589, id=3496, vol=1.420000e+06
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   30 and name   HA) 2.172 0.590 1.089 weight 1.000 spectrum  2 peak   589 ! spec=13CARO, no=589, id=3496, vol=1.420000e+06
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   30 and name   HA) 2.172 0.590 1.089 weight 1.000 spectrum  2 peak   589 ! spec=13CARO, no=589, id=3496, vol=1.420000e+06
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA) 2.145 0.575 0.575 weight 1.000 spectrum  2 peak   590 ! spec=13CARO, no=590, id=3497, vol=1.530000e+06
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA) 2.145 0.575 0.575 weight 1.000 spectrum  2 peak   590 ! spec=13CARO, no=590, id=3497, vol=1.530000e+06
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA) 2.145 0.575 0.575 weight 1.000 spectrum  2 peak   590 ! spec=13CARO, no=590, id=3497, vol=1.530000e+06
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA) 2.145 0.575 0.575 weight 1.000 spectrum  2 peak   590 ! spec=13CARO, no=590, id=3497, vol=1.530000e+06
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   35 and name  HB#) 2.334 2.334 3.666 weight 1.000 spectrum  2 peak   592 ! spec=13CARO, no=592, id=3499, vol=9.220000e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   C" and resid   19 and name  HG#)
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   35 and name  HB#) 2.334 2.334 3.666 weight 1.000 spectrum  2 peak   592 ! spec=13CARO, no=592, id=3499, vol=9.220000e+05
    or (segid "   B" and resid   47 and name   HA) (segid "   D" and resid   19 and name  HG#)
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   35 and name  HB#) 2.334 2.334 3.666 weight 1.000 spectrum  2 peak   592 ! spec=13CARO, no=592, id=3499, vol=9.220000e+05
    or (segid "   C" and resid   47 and name   HA) (segid "   A" and resid   19 and name  HG#)
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   35 and name  HB#) 2.334 2.334 3.666 weight 1.000 spectrum  2 peak   592 ! spec=13CARO, no=592, id=3499, vol=9.220000e+05
    or (segid "   D" and resid   47 and name   HA) (segid "   B" and resid   19 and name  HG#)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   34 and name  HG#) 2.470 2.470 3.530 weight 1.000 spectrum  2 peak   594 ! spec=13CARO, no=594, id=3501, vol=6.570000e+05
    or (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   37 and name   HA)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   47 and name   HA)
    or (segid "   A" and resid   47 and name   HA) (segid "   C" and resid   22 and name  HB#)
    or (segid "   A" and resid   47 and name   HA) (segid "   C" and resid   23 and name  HB#)
    or (segid "   A" and resid   47 and name   HA) (segid "   D" and resid    5 and name  HB#)
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   34 and name  HG#) 2.470 2.470 3.530 weight 1.000 spectrum  2 peak   594 ! spec=13CARO, no=594, id=3501, vol=6.570000e+05
    or (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   37 and name   HA)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   47 and name   HA)
    or (segid "   B" and resid   47 and name   HA) (segid "   D" and resid   22 and name  HB#)
    or (segid "   B" and resid   47 and name   HA) (segid "   D" and resid   23 and name  HB#)
    or (segid "   B" and resid   47 and name   HA) (segid "   C" and resid    5 and name  HB#)
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   34 and name  HG#) 2.470 2.470 3.530 weight 1.000 spectrum  2 peak   594 ! spec=13CARO, no=594, id=3501, vol=6.570000e+05
    or (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   37 and name   HA)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   47 and name   HA)
    or (segid "   C" and resid   47 and name   HA) (segid "   A" and resid   22 and name  HB#)
    or (segid "   C" and resid   47 and name   HA) (segid "   A" and resid   23 and name  HB#)
    or (segid "   C" and resid   47 and name   HA) (segid "   B" and resid    5 and name  HB#)
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   34 and name  HG#) 2.470 2.470 3.530 weight 1.000 spectrum  2 peak   594 ! spec=13CARO, no=594, id=3501, vol=6.570000e+05
    or (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   37 and name   HA)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   47 and name   HA)
    or (segid "   D" and resid   47 and name   HA) (segid "   B" and resid   22 and name  HB#)
    or (segid "   D" and resid   47 and name   HA) (segid "   B" and resid   23 and name  HB#)
    or (segid "   D" and resid   47 and name   HA) (segid "   A" and resid    5 and name  HB#)
assign (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   32 and name  HG#) 2.700 0.911 0.911 weight 1.000 spectrum  2 peak   595 ! spec=13CARO, no=595, id=3502, vol=3.850000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name   HA)
assign (segid "   B" and resid   32 and name   HA) (segid "   B" and resid   32 and name  HG#) 2.700 0.911 0.911 weight 1.000 spectrum  2 peak   595 ! spec=13CARO, no=595, id=3502, vol=3.850000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name   HA)
assign (segid "   C" and resid   32 and name   HA) (segid "   C" and resid   32 and name  HG#) 2.700 0.911 0.911 weight 1.000 spectrum  2 peak   595 ! spec=13CARO, no=595, id=3502, vol=3.850000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name   HA)
assign (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   32 and name  HG#) 2.700 0.911 0.911 weight 1.000 spectrum  2 peak   595 ! spec=13CARO, no=595, id=3502, vol=3.850000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name   HA)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   14 and name   HA) 2.541 0.807 0.807 weight 1.000 spectrum  2 peak   596 ! spec=13CARO, no=596, id=3503, vol=5.540000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name   HA)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   14 and name   HA) 2.541 0.807 0.807 weight 1.000 spectrum  2 peak   596 ! spec=13CARO, no=596, id=3503, vol=5.540000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name   HA)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   14 and name   HA) 2.541 0.807 0.807 weight 1.000 spectrum  2 peak   596 ! spec=13CARO, no=596, id=3503, vol=5.540000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name   HA)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   14 and name   HA) 2.541 0.807 0.807 weight 1.000 spectrum  2 peak   596 ! spec=13CARO, no=596, id=3503, vol=5.540000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name   HA)
assign (segid "   A" and resid   14 and name   HA) (segid "   B" and resid   25 and name  HB#) 2.381 0.709 0.709 weight 1.000 spectrum  2 peak   597 ! spec=13CARO, no=597, id=3504, vol=8.180000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name   HA)
assign (segid "   B" and resid   14 and name   HA) (segid "   A" and resid   25 and name  HB#) 2.381 0.709 0.709 weight 1.000 spectrum  2 peak   597 ! spec=13CARO, no=597, id=3504, vol=8.180000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name   HA)
assign (segid "   C" and resid   14 and name   HA) (segid "   D" and resid   25 and name  HB#) 2.381 0.709 0.709 weight 1.000 spectrum  2 peak   597 ! spec=13CARO, no=597, id=3504, vol=8.180000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name   HA)
assign (segid "   D" and resid   14 and name   HA) (segid "   C" and resid   25 and name  HB#) 2.381 0.709 0.709 weight 1.000 spectrum  2 peak   597 ! spec=13CARO, no=597, id=3504, vol=8.180000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name   HA)
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name   HA) 2.349 0.689 0.689 weight 1.000 spectrum  2 peak   598 ! spec=13CARO, no=598, id=3505, vol=8.890000e+05
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name   HA) 2.349 0.689 0.689 weight 1.000 spectrum  2 peak   598 ! spec=13CARO, no=598, id=3505, vol=8.890000e+05
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name   HA) 2.349 0.689 0.689 weight 1.000 spectrum  2 peak   598 ! spec=13CARO, no=598, id=3505, vol=8.890000e+05
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name   HA) 2.349 0.689 0.689 weight 1.000 spectrum  2 peak   598 ! spec=13CARO, no=598, id=3505, vol=8.890000e+05
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HD#) 2.138 0.572 0.572 weight 1.000 spectrum  2 peak   599 ! spec=13CARO, no=599, id=3506, vol=1.560000e+06
    or (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name   HA)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HD#) 2.138 0.572 0.572 weight 1.000 spectrum  2 peak   599 ! spec=13CARO, no=599, id=3506, vol=1.560000e+06
    or (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   38 and name   HA)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name   HA)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HD#) 2.138 0.572 0.572 weight 1.000 spectrum  2 peak   599 ! spec=13CARO, no=599, id=3506, vol=1.560000e+06
    or (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   38 and name   HA)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name   HA)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HD#) 2.138 0.572 0.572 weight 1.000 spectrum  2 peak   599 ! spec=13CARO, no=599, id=3506, vol=1.560000e+06
    or (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   38 and name   HA)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name   HA)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   13 and name   HA) 3.223 1.299 1.299 weight 1.000 spectrum  2 peak   601 ! spec=13CARO, no=601, id=3508, vol=1.330000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   13 and name   HA) 3.223 1.299 1.299 weight 1.000 spectrum  2 peak   601 ! spec=13CARO, no=601, id=3508, vol=1.330000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   33 and name   HA)
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   13 and name   HA) 3.223 1.299 1.299 weight 1.000 spectrum  2 peak   601 ! spec=13CARO, no=601, id=3508, vol=1.330000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   13 and name   HA) 3.223 1.299 1.299 weight 1.000 spectrum  2 peak   601 ! spec=13CARO, no=601, id=3508, vol=1.330000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   33 and name   HA)
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   604 ! spec=13CARO, no=604, id=3511, vol=1.470000e+06
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   604 ! spec=13CARO, no=604, id=3511, vol=1.470000e+06
    or (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   604 ! spec=13CARO, no=604, id=3511, vol=1.470000e+06
    or (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  2 peak   604 ! spec=13CARO, no=604, id=3511, vol=1.470000e+06
    or (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   43 and name  HG#) 2.134 0.569 0.569 weight 1.000 spectrum  2 peak   605 ! spec=13CARO, no=605, id=3512, vol=1.580000e+06
    or (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   13 and name   HA)
assign (segid "   B" and resid   43 and name   HA) (segid "   B" and resid   43 and name  HG#) 2.134 0.569 0.569 weight 1.000 spectrum  2 peak   605 ! spec=13CARO, no=605, id=3512, vol=1.580000e+06
    or (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA)
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   13 and name   HA)
assign (segid "   C" and resid   43 and name   HA) (segid "   C" and resid   43 and name  HG#) 2.134 0.569 0.569 weight 1.000 spectrum  2 peak   605 ! spec=13CARO, no=605, id=3512, vol=1.580000e+06
    or (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA)
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   13 and name   HA)
assign (segid "   D" and resid   43 and name   HA) (segid "   D" and resid   43 and name  HG#) 2.134 0.569 0.569 weight 1.000 spectrum  2 peak   605 ! spec=13CARO, no=605, id=3512, vol=1.580000e+06
    or (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA)
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   13 and name   HA)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   37 and name  HB#) 3.463 1.499 1.499 weight 1.000 spectrum  2 peak   614 ! spec=13CARO, no=614, id=3521, vol=8.650000e+04
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   37 and name  HB#)
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   37 and name  HB#) 3.463 1.499 1.499 weight 1.000 spectrum  2 peak   614 ! spec=13CARO, no=614, id=3521, vol=8.650000e+04
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   37 and name  HB#)
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   37 and name  HB#) 3.463 1.499 1.499 weight 1.000 spectrum  2 peak   614 ! spec=13CARO, no=614, id=3521, vol=8.650000e+04
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   37 and name  HB#)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   37 and name  HB#) 3.463 1.499 1.499 weight 1.000 spectrum  2 peak   614 ! spec=13CARO, no=614, id=3521, vol=8.650000e+04
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   37 and name  HB#)
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    2 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  2 peak   615 ! spec=13CARO, no=615, id=3522, vol=9.690000e+04
    or (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   15 and name  HB#)
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   37 and name  HB#)
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   37 and name  HB#)
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    2 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  2 peak   615 ! spec=13CARO, no=615, id=3522, vol=9.690000e+04
    or (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   15 and name  HB#)
    or (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   37 and name  HB#)
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   37 and name  HB#)
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    2 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  2 peak   615 ! spec=13CARO, no=615, id=3522, vol=9.690000e+04
    or (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   15 and name  HB#)
    or (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   37 and name  HB#)
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   37 and name  HB#)
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    2 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  2 peak   615 ! spec=13CARO, no=615, id=3522, vol=9.690000e+04
    or (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   15 and name  HB#)
    or (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   37 and name  HB#)
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   37 and name  HB#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name   HA) 2.400 0.720 0.720 weight 1.000 spectrum  2 peak   616 ! spec=13CARO, no=616, id=3523, vol=7.810000e+05
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name   HA) 2.400 0.720 0.720 weight 1.000 spectrum  2 peak   616 ! spec=13CARO, no=616, id=3523, vol=7.810000e+05
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name   HA) 2.400 0.720 0.720 weight 1.000 spectrum  2 peak   616 ! spec=13CARO, no=616, id=3523, vol=7.810000e+05
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name   HA) 2.400 0.720 0.720 weight 1.000 spectrum  2 peak   616 ! spec=13CARO, no=616, id=3523, vol=7.810000e+05
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   34 and name  HB#) 3.091 1.194 1.194 weight 1.000 spectrum  2 peak   618 ! spec=13CARO, no=618, id=3525, vol=1.710000e+05
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   41 and name  HG#)
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HG#)
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   34 and name  HB#) 3.091 1.194 1.194 weight 1.000 spectrum  2 peak   618 ! spec=13CARO, no=618, id=3525, vol=1.710000e+05
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   41 and name  HG#)
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name  HG#)
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   34 and name  HB#) 3.091 1.194 1.194 weight 1.000 spectrum  2 peak   618 ! spec=13CARO, no=618, id=3525, vol=1.710000e+05
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   41 and name  HG#)
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name  HG#)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   34 and name  HB#) 3.091 1.194 1.194 weight 1.000 spectrum  2 peak   618 ! spec=13CARO, no=618, id=3525, vol=1.710000e+05
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   41 and name  HG#)
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name  HG#)
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 2.925 1.070 1.070 weight 1.000 spectrum  2 peak   619 ! spec=13CARO, no=619, id=3526, vol=2.380000e+05
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HG#)
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 2.925 1.070 1.070 weight 1.000 spectrum  2 peak   619 ! spec=13CARO, no=619, id=3526, vol=2.380000e+05
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name  HG#)
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 2.925 1.070 1.070 weight 1.000 spectrum  2 peak   619 ! spec=13CARO, no=619, id=3526, vol=2.380000e+05
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name  HG#)
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 2.925 1.070 1.070 weight 1.000 spectrum  2 peak   619 ! spec=13CARO, no=619, id=3526, vol=2.380000e+05
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name  HG#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  2 peak   620 ! spec=13CARO, no=620, id=3527, vol=4.010000e+05
    or (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG#)
    or (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   43 and name  HG#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  2 peak   620 ! spec=13CARO, no=620, id=3527, vol=4.010000e+05
    or (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   23 and name  HG#)
    or (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   43 and name  HG#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  2 peak   620 ! spec=13CARO, no=620, id=3527, vol=4.010000e+05
    or (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   23 and name  HG#)
    or (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   43 and name  HG#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  2 peak   620 ! spec=13CARO, no=620, id=3527, vol=4.010000e+05
    or (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   23 and name  HG#)
    or (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   43 and name  HG#)
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   37 and name  HB#) 2.832 1.003 1.129 weight 1.000 spectrum  2 peak   625 ! spec=13CARO, no=625, id=3532, vol=2.890000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   25 and name   HA)
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   37 and name  HB#) 2.832 1.003 1.129 weight 1.000 spectrum  2 peak   625 ! spec=13CARO, no=625, id=3532, vol=2.890000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   25 and name   HA)
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   37 and name  HB#) 2.832 1.003 1.129 weight 1.000 spectrum  2 peak   625 ! spec=13CARO, no=625, id=3532, vol=2.890000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   25 and name   HA)
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   37 and name  HB#) 2.832 1.003 1.129 weight 1.000 spectrum  2 peak   625 ! spec=13CARO, no=625, id=3532, vol=2.890000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   25 and name   HA)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   24 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   626 ! spec=13CARO, no=626, id=3533, vol=2.290000e+05
    or (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   28 and name  HG#)
    or (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   29 and name   HA)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   24 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   626 ! spec=13CARO, no=626, id=3533, vol=2.290000e+05
    or (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   28 and name  HG#)
    or (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   29 and name   HA)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   24 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   626 ! spec=13CARO, no=626, id=3533, vol=2.290000e+05
    or (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   28 and name  HG#)
    or (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   29 and name   HA)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   24 and name   HA) 2.944 1.084 1.084 weight 1.000 spectrum  2 peak   626 ! spec=13CARO, no=626, id=3533, vol=2.290000e+05
    or (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   28 and name  HG#)
    or (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   29 and name   HA)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.393 1.439 1.439 weight 1.000 spectrum  2 peak   631 ! spec=13CARO, no=631, id=3538, vol=9.780000e+04
    or (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   39 and name  HB#)
assign (segid "   B" and resid   19 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.393 1.439 1.439 weight 1.000 spectrum  2 peak   631 ! spec=13CARO, no=631, id=3538, vol=9.780000e+04
    or (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   39 and name  HB#)
assign (segid "   C" and resid   19 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.393 1.439 1.439 weight 1.000 spectrum  2 peak   631 ! spec=13CARO, no=631, id=3538, vol=9.780000e+04
    or (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   39 and name  HB#)
assign (segid "   D" and resid   19 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.393 1.439 1.439 weight 1.000 spectrum  2 peak   631 ! spec=13CARO, no=631, id=3538, vol=9.780000e+04
    or (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   39 and name  HB#)
assign (segid "   A" and resid   43 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.831 1.834 1.834 weight 1.000 spectrum  2 peak   632 ! spec=13CARO, no=632, id=3539, vol=4.720000e+04
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HD#)
    or (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   39 and name  HB#)
assign (segid "   B" and resid   43 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.831 1.834 1.834 weight 1.000 spectrum  2 peak   632 ! spec=13CARO, no=632, id=3539, vol=4.720000e+04
    or (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name  HD#)
    or (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   39 and name  HB#)
assign (segid "   C" and resid   43 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.831 1.834 1.834 weight 1.000 spectrum  2 peak   632 ! spec=13CARO, no=632, id=3539, vol=4.720000e+04
    or (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name  HD#)
    or (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   39 and name  HB#)
assign (segid "   D" and resid   43 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.831 1.834 1.834 weight 1.000 spectrum  2 peak   632 ! spec=13CARO, no=632, id=3539, vol=4.720000e+04
    or (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name  HD#)
    or (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   39 and name  HB#)
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   14 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  2 peak   633 ! spec=13CARO, no=633, id=3540, vol=7.110000e+04
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name  HB#)
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   14 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  2 peak   633 ! spec=13CARO, no=633, id=3540, vol=7.110000e+04
    or (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   14 and name  HB#)
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   14 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  2 peak   633 ! spec=13CARO, no=633, id=3540, vol=7.110000e+04
    or (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   14 and name  HB#)
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   14 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  2 peak   633 ! spec=13CARO, no=633, id=3540, vol=7.110000e+04
    or (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   14 and name  HB#)
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   635 ! spec=13CARO, no=635, id=3542, vol=4.410000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   635 ! spec=13CARO, no=635, id=3542, vol=4.410000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   635 ! spec=13CARO, no=635, id=3542, vol=4.410000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.640 0.871 0.871 weight 1.000 spectrum  2 peak   635 ! spec=13CARO, no=635, id=3542, vol=4.410000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name  HB#) 2.013 0.507 0.507 weight 1.000 spectrum  2 peak   636 ! spec=13CARO, no=636, id=3543, vol=2.240000e+06
    or (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   38 and name  HB#) 2.013 0.507 0.507 weight 1.000 spectrum  2 peak   636 ! spec=13CARO, no=636, id=3543, vol=2.240000e+06
    or (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   38 and name  HB#) 2.013 0.507 0.507 weight 1.000 spectrum  2 peak   636 ! spec=13CARO, no=636, id=3543, vol=2.240000e+06
    or (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   38 and name  HB#) 2.013 0.507 0.507 weight 1.000 spectrum  2 peak   636 ! spec=13CARO, no=636, id=3543, vol=2.240000e+06
    or (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name  HB#) 2.057 0.529 0.529 weight 1.000 spectrum  2 peak   637 ! spec=13CARO, no=637, id=3544, vol=1.970000e+06
    or (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   38 and name   HA)
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   38 and name  HB#) 2.057 0.529 0.529 weight 1.000 spectrum  2 peak   637 ! spec=13CARO, no=637, id=3544, vol=1.970000e+06
    or (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   38 and name   HA)
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   38 and name  HB#) 2.057 0.529 0.529 weight 1.000 spectrum  2 peak   637 ! spec=13CARO, no=637, id=3544, vol=1.970000e+06
    or (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   38 and name   HA)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   38 and name  HB#) 2.057 0.529 0.529 weight 1.000 spectrum  2 peak   637 ! spec=13CARO, no=637, id=3544, vol=1.970000e+06
    or (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   38 and name   HA)
assign (segid "   A" and resid   21 and name   HA) (segid "   C" and resid   25 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  2 peak   638 ! spec=13CARO, no=638, id=3545, vol=9.440000e+05
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   21 and name   HA) (segid "   D" and resid   25 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  2 peak   638 ! spec=13CARO, no=638, id=3545, vol=9.440000e+05
    or (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   21 and name   HA) (segid "   A" and resid   25 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  2 peak   638 ! spec=13CARO, no=638, id=3545, vol=9.440000e+05
    or (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   21 and name   HA) (segid "   B" and resid   25 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  2 peak   638 ! spec=13CARO, no=638, id=3545, vol=9.440000e+05
    or (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   34 and name  HD#) 3.390 1.436 1.436 weight 1.000 spectrum  2 peak   645 ! spec=13CARO, no=645, id=3552, vol=9.830000e+04
    or (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   36 and name   HA)
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   34 and name  HD#) 3.390 1.436 1.436 weight 1.000 spectrum  2 peak   645 ! spec=13CARO, no=645, id=3552, vol=9.830000e+04
    or (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   36 and name   HA)
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   34 and name  HD#) 3.390 1.436 1.436 weight 1.000 spectrum  2 peak   645 ! spec=13CARO, no=645, id=3552, vol=9.830000e+04
    or (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   36 and name   HA)
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   34 and name  HD#) 3.390 1.436 1.436 weight 1.000 spectrum  2 peak   645 ! spec=13CARO, no=645, id=3552, vol=9.830000e+04
    or (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   36 and name   HA)
assign (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   41 and name   HA) 3.417 1.459 1.459 weight 1.000 spectrum  2 peak   647 ! spec=13CARO, no=647, id=3554, vol=9.380000e+04
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   26 and name   HA) (segid "   B" and resid   10 and name  HD#)
assign (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   41 and name   HA) 3.417 1.459 1.459 weight 1.000 spectrum  2 peak   647 ! spec=13CARO, no=647, id=3554, vol=9.380000e+04
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   26 and name   HA) (segid "   A" and resid   10 and name  HD#)
assign (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   41 and name   HA) 3.417 1.459 1.459 weight 1.000 spectrum  2 peak   647 ! spec=13CARO, no=647, id=3554, vol=9.380000e+04
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   26 and name   HA) (segid "   D" and resid   10 and name  HD#)
assign (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   41 and name   HA) 3.417 1.459 1.459 weight 1.000 spectrum  2 peak   647 ! spec=13CARO, no=647, id=3554, vol=9.380000e+04
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   26 and name   HA) (segid "   C" and resid   10 and name  HD#)
assign (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   10 and name  HD#) 3.312 1.371 1.535 weight 1.000 spectrum  2 peak   653 ! spec=13CARO, no=653, id=3560, vol=1.130000e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   B" and resid   10 and name  HD#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   40 and name  HD#)
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   35 and name   HA)
    or (segid "   A" and resid   46 and name   HA) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   10 and name  HD#) 3.312 1.371 1.535 weight 1.000 spectrum  2 peak   653 ! spec=13CARO, no=653, id=3560, vol=1.130000e+05
    or (segid "   B" and resid    5 and name   HA) (segid "   A" and resid   10 and name  HD#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   23 and name   HA)
    or (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   40 and name  HD#)
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   35 and name   HA)
    or (segid "   B" and resid   46 and name   HA) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   10 and name  HD#) 3.312 1.371 1.535 weight 1.000 spectrum  2 peak   653 ! spec=13CARO, no=653, id=3560, vol=1.130000e+05
    or (segid "   C" and resid    5 and name   HA) (segid "   D" and resid   10 and name  HD#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   23 and name   HA)
    or (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   40 and name  HD#)
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   35 and name   HA)
    or (segid "   C" and resid   46 and name   HA) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   10 and name  HD#) 3.312 1.371 1.535 weight 1.000 spectrum  2 peak   653 ! spec=13CARO, no=653, id=3560, vol=1.130000e+05
    or (segid "   D" and resid    5 and name   HA) (segid "   C" and resid   10 and name  HD#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   23 and name   HA)
    or (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   40 and name  HD#)
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   35 and name   HA)
    or (segid "   D" and resid   46 and name   HA) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HE#) 2.942 2.942 3.058 weight 1.000 spectrum  2 peak   671 ! spec=13CARO, no=671, id=3571, vol=2.300000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name  HB#)
assign (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   22 and name  HE#) 2.942 2.942 3.058 weight 1.000 spectrum  2 peak   671 ! spec=13CARO, no=671, id=3571, vol=2.300000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   39 and name  HB#)
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   22 and name  HE#) 2.942 2.942 3.058 weight 1.000 spectrum  2 peak   671 ! spec=13CARO, no=671, id=3571, vol=2.300000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   39 and name  HB#)
assign (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   22 and name  HE#) 2.942 2.942 3.058 weight 1.000 spectrum  2 peak   671 ! spec=13CARO, no=671, id=3571, vol=2.300000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   39 and name  HB#)
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   40 and name  HD#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   673 ! spec=13CARO, no=673, id=3573, vol=2.550000e+05
    or (segid "   A" and resid   47 and name   HA) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   40 and name  HD#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   673 ! spec=13CARO, no=673, id=3573, vol=2.550000e+05
    or (segid "   B" and resid   47 and name   HA) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   40 and name  HD#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   673 ! spec=13CARO, no=673, id=3573, vol=2.550000e+05
    or (segid "   C" and resid   47 and name   HA) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   40 and name  HD#) 2.892 1.045 1.045 weight 1.000 spectrum  2 peak   673 ! spec=13CARO, no=673, id=3573, vol=2.550000e+05
    or (segid "   D" and resid   47 and name   HA) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   32 and name   HA) 3.110 1.209 1.209 weight 1.000 spectrum  2 peak   674 ! spec=13CARO, no=674, id=3574, vol=1.650000e+05
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   32 and name   HA) 3.110 1.209 1.209 weight 1.000 spectrum  2 peak   674 ! spec=13CARO, no=674, id=3574, vol=1.650000e+05
    or (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   32 and name   HA) 3.110 1.209 1.209 weight 1.000 spectrum  2 peak   674 ! spec=13CARO, no=674, id=3574, vol=1.650000e+05
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   32 and name   HA) 3.110 1.209 1.209 weight 1.000 spectrum  2 peak   674 ! spec=13CARO, no=674, id=3574, vol=1.650000e+05
    or (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   32 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   677 ! spec=13CARO, no=677, id=3577, vol=1.800000e+05
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   32 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   677 ! spec=13CARO, no=677, id=3577, vol=1.800000e+05
    or (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   32 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   677 ! spec=13CARO, no=677, id=3577, vol=1.800000e+05
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   32 and name   HA) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   677 ! spec=13CARO, no=677, id=3577, vol=1.800000e+05
    or (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   13 and name   HA) 3.416 1.459 1.459 weight 1.000 spectrum  2 peak   678 ! spec=13CARO, no=678, id=3578, vol=9.390000e+04
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   31 and name   HA)
    or (segid "   A" and resid   32 and name   HA) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   33 and name   HA)
assign (segid "   B" and resid   14 and name   HA) (segid "   B" and resid   13 and name   HA) 3.416 1.459 1.459 weight 1.000 spectrum  2 peak   678 ! spec=13CARO, no=678, id=3578, vol=9.390000e+04
    or (segid "   B" and resid   32 and name   HA) (segid "   B" and resid   31 and name   HA)
    or (segid "   B" and resid   32 and name   HA) (segid "   B" and resid   33 and name   HA)
    or (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   33 and name   HA)
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   13 and name   HA) 3.416 1.459 1.459 weight 1.000 spectrum  2 peak   678 ! spec=13CARO, no=678, id=3578, vol=9.390000e+04
    or (segid "   C" and resid   32 and name   HA) (segid "   C" and resid   31 and name   HA)
    or (segid "   C" and resid   32 and name   HA) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   33 and name   HA)
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   13 and name   HA) 3.416 1.459 1.459 weight 1.000 spectrum  2 peak   678 ! spec=13CARO, no=678, id=3578, vol=9.390000e+04
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   31 and name   HA)
    or (segid "   D" and resid   32 and name   HA) (segid "   D" and resid   33 and name   HA)
    or (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   33 and name   HA)
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    7 and name   HA) 2.877 2.877 3.123 weight 1.000 spectrum  2 peak   683 ! spec=13CARO, no=683, id=3580, vol=2.630000e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    7 and name   HA)
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    7 and name   HA) 2.877 2.877 3.123 weight 1.000 spectrum  2 peak   683 ! spec=13CARO, no=683, id=3580, vol=2.630000e+05
    or (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    7 and name   HA)
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    7 and name   HA) 2.877 2.877 3.123 weight 1.000 spectrum  2 peak   683 ! spec=13CARO, no=683, id=3580, vol=2.630000e+05
    or (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    7 and name   HA)
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    7 and name   HA) 2.877 2.877 3.123 weight 1.000 spectrum  2 peak   683 ! spec=13CARO, no=683, id=3580, vol=2.630000e+05
    or (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    7 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name   HA) 3.293 1.355 1.572 weight 1.000 spectrum  2 peak   690 ! spec=13CARO, no=690, id=3583, vol=1.170000e+05
    or (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   23 and name   HA)
assign (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    2 and name   HA) 3.293 1.355 1.572 weight 1.000 spectrum  2 peak   690 ! spec=13CARO, no=690, id=3583, vol=1.170000e+05
    or (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   23 and name   HA)
assign (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    2 and name   HA) 3.293 1.355 1.572 weight 1.000 spectrum  2 peak   690 ! spec=13CARO, no=690, id=3583, vol=1.170000e+05
    or (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   23 and name   HA)
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    2 and name   HA) 3.293 1.355 1.572 weight 1.000 spectrum  2 peak   690 ! spec=13CARO, no=690, id=3583, vol=1.170000e+05
    or (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   23 and name   HA)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name   HA) 3.097 1.199 1.199 weight 1.000 spectrum  2 peak   691 ! spec=13CARO, no=691, id=3584, vol=1.690000e+05
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name   HA)
assign (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    2 and name   HA) 3.097 1.199 1.199 weight 1.000 spectrum  2 peak   691 ! spec=13CARO, no=691, id=3584, vol=1.690000e+05
    or (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    5 and name   HA)
    or (segid "   B" and resid    1 and name   HA) (segid "   B" and resid    2 and name   HA)
assign (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    2 and name   HA) 3.097 1.199 1.199 weight 1.000 spectrum  2 peak   691 ! spec=13CARO, no=691, id=3584, vol=1.690000e+05
    or (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    5 and name   HA)
    or (segid "   C" and resid    1 and name   HA) (segid "   C" and resid    2 and name   HA)
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    2 and name   HA) 3.097 1.199 1.199 weight 1.000 spectrum  2 peak   691 ! spec=13CARO, no=691, id=3584, vol=1.690000e+05
    or (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    5 and name   HA)
    or (segid "   D" and resid    1 and name   HA) (segid "   D" and resid    2 and name   HA)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HG1#) 2.868 2.868 4.132 weight 1.000 spectrum  2 peak   704 ! spec=13CARO, no=704, id=3591, vol=2.680000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HG1#) 2.868 2.868 4.132 weight 1.000 spectrum  2 peak   704 ! spec=13CARO, no=704, id=3591, vol=2.680000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HG1#) 2.868 2.868 4.132 weight 1.000 spectrum  2 peak   704 ! spec=13CARO, no=704, id=3591, vol=2.680000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HG1#) 2.868 2.868 4.132 weight 1.000 spectrum  2 peak   704 ! spec=13CARO, no=704, id=3591, vol=2.680000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    2 and name   HA) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   705 ! spec=13CARO, no=705, id=3592, vol=2.020000e+05
    or (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    5 and name   HA)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HE#)
assign (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    2 and name   HA) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   705 ! spec=13CARO, no=705, id=3592, vol=2.020000e+05
    or (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    5 and name   HA)
    or (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    6 and name  HE#)
assign (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    2 and name   HA) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   705 ! spec=13CARO, no=705, id=3592, vol=2.020000e+05
    or (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    5 and name   HA)
    or (segid "   C" and resid    5 and name   HA) (segid "   C" and resid    6 and name  HE#)
assign (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    2 and name   HA) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   705 ! spec=13CARO, no=705, id=3592, vol=2.020000e+05
    or (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    5 and name   HA)
    or (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    6 and name  HE#)
assign (segid "   A" and resid   14 and name HD2#) (segid "   B" and resid   26 and name   HA) 2.861 1.023 1.023 weight 1.000 spectrum  2 peak   708 ! spec=13CARO, no=708, id=3595, vol=2.720000e+05
    or (segid "   A" and resid   42 and name HE2#) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   14 and name HD2#) (segid "   A" and resid   26 and name   HA) 2.861 1.023 1.023 weight 1.000 spectrum  2 peak   708 ! spec=13CARO, no=708, id=3595, vol=2.720000e+05
    or (segid "   B" and resid   42 and name HE2#) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   14 and name HD2#) (segid "   D" and resid   26 and name   HA) 2.861 1.023 1.023 weight 1.000 spectrum  2 peak   708 ! spec=13CARO, no=708, id=3595, vol=2.720000e+05
    or (segid "   C" and resid   42 and name HE2#) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   14 and name HD2#) (segid "   C" and resid   26 and name   HA) 2.861 1.023 1.023 weight 1.000 spectrum  2 peak   708 ! spec=13CARO, no=708, id=3595, vol=2.720000e+05
    or (segid "   D" and resid   42 and name HE2#) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid    6 and name  HD#) (segid "   C" and resid   48 and name   HA) 2.234 0.624 0.624 weight 1.000 spectrum  2 peak   709 ! spec=13CARO, no=709, id=3596, vol=1.200000e+06
    or (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HD#)
assign (segid "   B" and resid    6 and name  HD#) (segid "   D" and resid   48 and name   HA) 2.234 0.624 0.624 weight 1.000 spectrum  2 peak   709 ! spec=13CARO, no=709, id=3596, vol=1.200000e+06
    or (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   39 and name  HD#)
assign (segid "   C" and resid    6 and name  HD#) (segid "   A" and resid   48 and name   HA) 2.234 0.624 0.624 weight 1.000 spectrum  2 peak   709 ! spec=13CARO, no=709, id=3596, vol=1.200000e+06
    or (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   39 and name  HD#)
assign (segid "   D" and resid    6 and name  HD#) (segid "   B" and resid   48 and name   HA) 2.234 0.624 0.624 weight 1.000 spectrum  2 peak   709 ! spec=13CARO, no=709, id=3596, vol=1.200000e+06
    or (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HD#)
assign (segid "   A" and resid   43 and name HE2#) (segid "   C" and resid   19 and name   HA) 3.641 1.657 1.657 weight 1.000 spectrum  2 peak   710 ! spec=13CARO, no=710, id=3597, vol=6.400000e+04
    or (segid "   A" and resid   43 and name HE2#) (segid "   C" and resid   20 and name   HA)
    or (segid "   A" and resid   39 and name  HD#) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   39 and name  HD#) (segid "   A" and resid   42 and name   HA)
    or (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   20 and name   HA)
    or (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   26 and name   HA)
assign (segid "   B" and resid   43 and name HE2#) (segid "   D" and resid   19 and name   HA) 3.641 1.657 1.657 weight 1.000 spectrum  2 peak   710 ! spec=13CARO, no=710, id=3597, vol=6.400000e+04
    or (segid "   B" and resid   43 and name HE2#) (segid "   D" and resid   20 and name   HA)
    or (segid "   B" and resid   39 and name  HD#) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   39 and name  HD#) (segid "   B" and resid   42 and name   HA)
    or (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   20 and name   HA)
    or (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   26 and name   HA)
assign (segid "   C" and resid   43 and name HE2#) (segid "   A" and resid   19 and name   HA) 3.641 1.657 1.657 weight 1.000 spectrum  2 peak   710 ! spec=13CARO, no=710, id=3597, vol=6.400000e+04
    or (segid "   C" and resid   43 and name HE2#) (segid "   A" and resid   20 and name   HA)
    or (segid "   C" and resid   39 and name  HD#) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   39 and name  HD#) (segid "   C" and resid   42 and name   HA)
    or (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   20 and name   HA)
    or (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   26 and name   HA)
assign (segid "   D" and resid   43 and name HE2#) (segid "   B" and resid   19 and name   HA) 3.641 1.657 1.657 weight 1.000 spectrum  2 peak   710 ! spec=13CARO, no=710, id=3597, vol=6.400000e+04
    or (segid "   D" and resid   43 and name HE2#) (segid "   B" and resid   20 and name   HA)
    or (segid "   D" and resid   39 and name  HD#) (segid "   D" and resid   41 and name   HA)
    or (segid "   D" and resid   39 and name  HD#) (segid "   D" and resid   42 and name   HA)
    or (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   20 and name   HA)
    or (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   26 and name   HA)
assign (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   23 and name   HA) 2.780 0.966 0.966 weight 1.000 spectrum  2 peak   712 ! spec=13CARO, no=712, id=3599, vol=3.230000e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HD#)
assign (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   23 and name   HA) 2.780 0.966 0.966 weight 1.000 spectrum  2 peak   712 ! spec=13CARO, no=712, id=3599, vol=3.230000e+05
    or (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    6 and name  HD#)
assign (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   23 and name   HA) 2.780 0.966 0.966 weight 1.000 spectrum  2 peak   712 ! spec=13CARO, no=712, id=3599, vol=3.230000e+05
    or (segid "   C" and resid    5 and name   HA) (segid "   C" and resid    6 and name  HD#)
assign (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   23 and name   HA) 2.780 0.966 0.966 weight 1.000 spectrum  2 peak   712 ! spec=13CARO, no=712, id=3599, vol=3.230000e+05
    or (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    6 and name  HD#)
assign (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   23 and name  HG#) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   721 ! spec=13CARO, no=721, id=3608, vol=1.510000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   23 and name  HG#) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   721 ! spec=13CARO, no=721, id=3608, vol=1.510000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   23 and name  HG#) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   721 ! spec=13CARO, no=721, id=3608, vol=1.510000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   23 and name  HG#) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   721 ! spec=13CARO, no=721, id=3608, vol=1.510000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   23 and name  HB#) 3.129 1.224 1.224 weight 1.000 spectrum  2 peak   722 ! spec=13CARO, no=722, id=3609, vol=1.590000e+05
    or (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   26 and name  HB#)
    or (segid "   A" and resid   43 and name HE2#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   A" and resid   39 and name  HD#) (segid "   A" and resid   36 and name   HB)
assign (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   23 and name  HB#) 3.129 1.224 1.224 weight 1.000 spectrum  2 peak   722 ! spec=13CARO, no=722, id=3609, vol=1.590000e+05
    or (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   26 and name  HB#)
    or (segid "   B" and resid   43 and name HE2#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   B" and resid   39 and name  HD#) (segid "   B" and resid   36 and name   HB)
assign (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   23 and name  HB#) 3.129 1.224 1.224 weight 1.000 spectrum  2 peak   722 ! spec=13CARO, no=722, id=3609, vol=1.590000e+05
    or (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   26 and name  HB#)
    or (segid "   C" and resid   43 and name HE2#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   C" and resid   39 and name  HD#) (segid "   C" and resid   36 and name   HB)
assign (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   23 and name  HB#) 3.129 1.224 1.224 weight 1.000 spectrum  2 peak   722 ! spec=13CARO, no=722, id=3609, vol=1.590000e+05
    or (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   26 and name  HB#)
    or (segid "   D" and resid   43 and name HE2#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   D" and resid   39 and name  HD#) (segid "   D" and resid   36 and name   HB)
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   39 and name  HD#) 2.482 0.770 0.770 weight 1.000 spectrum  2 peak   723 ! spec=13CARO, no=723, id=3610, vol=6.380000e+05
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   39 and name  HD#) 2.482 0.770 0.770 weight 1.000 spectrum  2 peak   723 ! spec=13CARO, no=723, id=3610, vol=6.380000e+05
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   39 and name  HD#) 2.482 0.770 0.770 weight 1.000 spectrum  2 peak   723 ! spec=13CARO, no=723, id=3610, vol=6.380000e+05
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   39 and name  HD#) 2.482 0.770 0.770 weight 1.000 spectrum  2 peak   723 ! spec=13CARO, no=723, id=3610, vol=6.380000e+05
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   A" and resid    6 and name  HD#) (segid "   B" and resid    8 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   725 ! spec=13CARO, no=725, id=3612, vol=2.330000e+05
    or (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   43 and name HE2#) (segid "   C" and resid   19 and name  HG#)
assign (segid "   B" and resid    6 and name  HD#) (segid "   A" and resid    8 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   725 ! spec=13CARO, no=725, id=3612, vol=2.330000e+05
    or (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   43 and name HE2#) (segid "   D" and resid   19 and name  HG#)
assign (segid "   C" and resid    6 and name  HD#) (segid "   D" and resid    8 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   725 ! spec=13CARO, no=725, id=3612, vol=2.330000e+05
    or (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   43 and name HE2#) (segid "   A" and resid   19 and name  HG#)
assign (segid "   D" and resid    6 and name  HD#) (segid "   C" and resid    8 and name  HB#) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   725 ! spec=13CARO, no=725, id=3612, vol=2.330000e+05
    or (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   43 and name HE2#) (segid "   B" and resid   19 and name  HG#)
assign (segid "   A" and resid    6 and name  HD#) (segid "   B" and resid    8 and name  HB#) 2.652 0.879 0.879 weight 1.000 spectrum  2 peak   727 ! spec=13CARO, no=727, id=3614, vol=4.290000e+05
    or (segid "   A" and resid    6 and name  HD#) (segid "   D" and resid   48 and name  HB#)
    or (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid    6 and name  HD#) (segid "   A" and resid    8 and name  HB#) 2.652 0.879 0.879 weight 1.000 spectrum  2 peak   727 ! spec=13CARO, no=727, id=3614, vol=4.290000e+05
    or (segid "   B" and resid    6 and name  HD#) (segid "   C" and resid   48 and name  HB#)
    or (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid    6 and name  HD#) (segid "   D" and resid    8 and name  HB#) 2.652 0.879 0.879 weight 1.000 spectrum  2 peak   727 ! spec=13CARO, no=727, id=3614, vol=4.290000e+05
    or (segid "   C" and resid    6 and name  HD#) (segid "   B" and resid   48 and name  HB#)
    or (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid    6 and name  HD#) (segid "   C" and resid    8 and name  HB#) 2.652 0.879 0.879 weight 1.000 spectrum  2 peak   727 ! spec=13CARO, no=727, id=3614, vol=4.290000e+05
    or (segid "   D" and resid    6 and name  HD#) (segid "   A" and resid   48 and name  HB#)
    or (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  2 peak   732 ! spec=13CARO, no=732, id=3619, vol=6.740000e+04
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB#)
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  2 peak   732 ! spec=13CARO, no=732, id=3619, vol=6.740000e+04
    or (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   35 and name  HB#)
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  2 peak   732 ! spec=13CARO, no=732, id=3619, vol=6.740000e+04
    or (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name  HB#)
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HG#) 3.610 1.629 1.629 weight 1.000 spectrum  2 peak   732 ! spec=13CARO, no=732, id=3619, vol=6.740000e+04
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name  HB#)
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HB#) 3.514 1.543 1.543 weight 1.000 spectrum  2 peak   734 ! spec=13CARO, no=734, id=3621, vol=7.930000e+04
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HB#) 3.514 1.543 1.543 weight 1.000 spectrum  2 peak   734 ! spec=13CARO, no=734, id=3621, vol=7.930000e+04
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HB#) 3.514 1.543 1.543 weight 1.000 spectrum  2 peak   734 ! spec=13CARO, no=734, id=3621, vol=7.930000e+04
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HB#) 3.514 1.543 1.543 weight 1.000 spectrum  2 peak   734 ! spec=13CARO, no=734, id=3621, vol=7.930000e+04
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.671 1.684 1.684 weight 1.000 spectrum  2 peak   735 ! spec=13CARO, no=735, id=3622, vol=6.100000e+04
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   21 and name  HB#)
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.671 1.684 1.684 weight 1.000 spectrum  2 peak   735 ! spec=13CARO, no=735, id=3622, vol=6.100000e+04
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   21 and name  HB#)
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.671 1.684 1.684 weight 1.000 spectrum  2 peak   735 ! spec=13CARO, no=735, id=3622, vol=6.100000e+04
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB#)
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.671 1.684 1.684 weight 1.000 spectrum  2 peak   735 ! spec=13CARO, no=735, id=3622, vol=6.100000e+04
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   21 and name  HB#)
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.119 1.216 1.216 weight 1.000 spectrum  2 peak   737 ! spec=13CARO, no=737, id=3624, vol=1.620000e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.119 1.216 1.216 weight 1.000 spectrum  2 peak   737 ! spec=13CARO, no=737, id=3624, vol=1.620000e+05
    or (segid "   B" and resid   20 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.119 1.216 1.216 weight 1.000 spectrum  2 peak   737 ! spec=13CARO, no=737, id=3624, vol=1.620000e+05
    or (segid "   C" and resid   20 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.119 1.216 1.216 weight 1.000 spectrum  2 peak   737 ! spec=13CARO, no=737, id=3624, vol=1.620000e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   23 and name  HG#) 3.426 1.467 1.467 weight 1.000 spectrum  2 peak   739 ! spec=13CARO, no=739, id=3625, vol=9.230000e+04
    or (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   23 and name  HG#) 3.426 1.467 1.467 weight 1.000 spectrum  2 peak   739 ! spec=13CARO, no=739, id=3625, vol=9.230000e+04
    or (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   23 and name  HG#) 3.426 1.467 1.467 weight 1.000 spectrum  2 peak   739 ! spec=13CARO, no=739, id=3625, vol=9.230000e+04
    or (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   23 and name  HG#) 3.426 1.467 1.467 weight 1.000 spectrum  2 peak   739 ! spec=13CARO, no=739, id=3625, vol=9.230000e+04
    or (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  2 peak   740 ! spec=13CARO, no=740, id=3626, vol=1.080000e+06
    or (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   40 and name   HA)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  2 peak   740 ! spec=13CARO, no=740, id=3626, vol=1.080000e+06
    or (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   40 and name   HA)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  2 peak   740 ! spec=13CARO, no=740, id=3626, vol=1.080000e+06
    or (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   40 and name   HA)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.274 0.646 0.646 weight 1.000 spectrum  2 peak   740 ! spec=13CARO, no=740, id=3626, vol=1.080000e+06
    or (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   40 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   11 and name  HA#) 2.704 0.914 0.914 weight 1.000 spectrum  2 peak   741 ! spec=13CARO, no=741, id=3627, vol=3.820000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   11 and name  HA#) 2.704 0.914 0.914 weight 1.000 spectrum  2 peak   741 ! spec=13CARO, no=741, id=3627, vol=3.820000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   11 and name  HA#) 2.704 0.914 0.914 weight 1.000 spectrum  2 peak   741 ! spec=13CARO, no=741, id=3627, vol=3.820000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   11 and name  HA#) 2.704 0.914 0.914 weight 1.000 spectrum  2 peak   741 ! spec=13CARO, no=741, id=3627, vol=3.820000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   11 and name  HA#) 2.712 0.919 0.919 weight 1.000 spectrum  2 peak   742 ! spec=13CARO, no=742, id=3628, vol=3.750000e+05
    or (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   11 and name  HA#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   11 and name  HA#) 2.712 0.919 0.919 weight 1.000 spectrum  2 peak   742 ! spec=13CARO, no=742, id=3628, vol=3.750000e+05
    or (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   11 and name  HA#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   28 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   11 and name  HA#) 2.712 0.919 0.919 weight 1.000 spectrum  2 peak   742 ! spec=13CARO, no=742, id=3628, vol=3.750000e+05
    or (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   11 and name  HA#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   11 and name  HA#) 2.712 0.919 0.919 weight 1.000 spectrum  2 peak   742 ! spec=13CARO, no=742, id=3628, vol=3.750000e+05
    or (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   11 and name  HA#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   28 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid   43 and name   HA) (segid "   A" and resid   46 and name   HG) 3.106 1.206 1.206 weight 1.000 spectrum  2 peak   743 ! spec=13CARO, no=743, id=3629, vol=1.660000e+05
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HG#)
    or (segid "   A" and resid   25 and name   HA) (segid "   C" and resid   20 and name  HD#)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   31 and name   HA)
assign (segid "   B" and resid   43 and name   HA) (segid "   B" and resid   46 and name   HG) 3.106 1.206 1.206 weight 1.000 spectrum  2 peak   743 ! spec=13CARO, no=743, id=3629, vol=1.660000e+05
    or (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name  HG#)
    or (segid "   B" and resid   25 and name   HA) (segid "   D" and resid   20 and name  HD#)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   31 and name   HA)
assign (segid "   C" and resid   43 and name   HA) (segid "   C" and resid   46 and name   HG) 3.106 1.206 1.206 weight 1.000 spectrum  2 peak   743 ! spec=13CARO, no=743, id=3629, vol=1.660000e+05
    or (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name  HG#)
    or (segid "   C" and resid   25 and name   HA) (segid "   A" and resid   20 and name  HD#)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   31 and name   HA)
assign (segid "   D" and resid   43 and name   HA) (segid "   D" and resid   46 and name   HG) 3.106 1.206 1.206 weight 1.000 spectrum  2 peak   743 ! spec=13CARO, no=743, id=3629, vol=1.660000e+05
    or (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name  HG#)
    or (segid "   D" and resid   25 and name   HA) (segid "   B" and resid   20 and name  HD#)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   31 and name   HA)
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid   10 and name  HG#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   744 ! spec=13CARO, no=744, id=3630, vol=3.930000e+05
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid   10 and name  HG#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   744 ! spec=13CARO, no=744, id=3630, vol=3.930000e+05
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid   10 and name  HG#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   744 ! spec=13CARO, no=744, id=3630, vol=3.930000e+05
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid   10 and name  HG#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   744 ! spec=13CARO, no=744, id=3630, vol=3.930000e+05
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name   HA) 3.307 3.307 2.693 weight 1.000 spectrum  2 peak   747 ! spec=13CARO, no=747, id=3633, vol=1.140000e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   D" and resid   20 and name  HG#)
    or (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name   HA) 3.307 3.307 2.693 weight 1.000 spectrum  2 peak   747 ! spec=13CARO, no=747, id=3633, vol=1.140000e+05
    or (segid "   B" and resid   17 and name   HA) (segid "   C" and resid   20 and name  HG#)
    or (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name   HA) 3.307 3.307 2.693 weight 1.000 spectrum  2 peak   747 ! spec=13CARO, no=747, id=3633, vol=1.140000e+05
    or (segid "   C" and resid   17 and name   HA) (segid "   B" and resid   20 and name  HG#)
    or (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name   HA) 3.307 3.307 2.693 weight 1.000 spectrum  2 peak   747 ! spec=13CARO, no=747, id=3633, vol=1.140000e+05
    or (segid "   D" and resid   17 and name   HA) (segid "   A" and resid   20 and name  HG#)
    or (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   18 and name  HB#) 2.027 0.514 0.514 weight 1.000 spectrum  2 peak   751 ! spec=13CARO, no=751, id=3637, vol=2.150000e+06
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   18 and name  HB#) 2.027 0.514 0.514 weight 1.000 spectrum  2 peak   751 ! spec=13CARO, no=751, id=3637, vol=2.150000e+06
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   18 and name  HB#) 2.027 0.514 0.514 weight 1.000 spectrum  2 peak   751 ! spec=13CARO, no=751, id=3637, vol=2.150000e+06
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   18 and name  HB#) 2.027 0.514 0.514 weight 1.000 spectrum  2 peak   751 ! spec=13CARO, no=751, id=3637, vol=2.150000e+06
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HD#) 2.432 0.739 0.739 weight 1.000 spectrum  2 peak   754 ! spec=13CARO, no=754, id=3640, vol=7.210000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HD#) 2.432 0.739 0.739 weight 1.000 spectrum  2 peak   754 ! spec=13CARO, no=754, id=3640, vol=7.210000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HD#) 2.432 0.739 0.739 weight 1.000 spectrum  2 peak   754 ! spec=13CARO, no=754, id=3640, vol=7.210000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HD#) 2.432 0.739 0.739 weight 1.000 spectrum  2 peak   754 ! spec=13CARO, no=754, id=3640, vol=7.210000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    2 and name  HB#) 2.805 0.984 0.984 weight 1.000 spectrum  2 peak   755 ! spec=13CARO, no=755, id=3641, vol=3.060000e+05
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   22 and name  HE#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    2 and name  HB#) 2.805 0.984 0.984 weight 1.000 spectrum  2 peak   755 ! spec=13CARO, no=755, id=3641, vol=3.060000e+05
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   22 and name  HE#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    2 and name  HB#) 2.805 0.984 0.984 weight 1.000 spectrum  2 peak   755 ! spec=13CARO, no=755, id=3641, vol=3.060000e+05
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   22 and name  HE#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    2 and name  HB#) 2.805 0.984 0.984 weight 1.000 spectrum  2 peak   755 ! spec=13CARO, no=755, id=3641, vol=3.060000e+05
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   22 and name  HE#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   19 and name  HB#) 2.836 1.005 1.123 weight 1.000 spectrum  2 peak   757 ! spec=13CARO, no=757, id=3643, vol=2.870000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   35 and name   HG)
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   19 and name  HB#) 2.836 1.005 1.123 weight 1.000 spectrum  2 peak   757 ! spec=13CARO, no=757, id=3643, vol=2.870000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   35 and name   HG)
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   19 and name  HB#) 2.836 1.005 1.123 weight 1.000 spectrum  2 peak   757 ! spec=13CARO, no=757, id=3643, vol=2.870000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   35 and name   HG)
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   19 and name  HB#) 2.836 1.005 1.123 weight 1.000 spectrum  2 peak   757 ! spec=13CARO, no=757, id=3643, vol=2.870000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   35 and name   HG)
assign (segid "   A" and resid    8 and name  HG#) (segid "   D" and resid   48 and name  HG#) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   762 ! spec=13CARO, no=762, id=3647, vol=6.240000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   19 and name  HE#) (segid "   C" and resid   48 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   10 and name  HG#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   48 and name  HG#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   C" and resid   48 and name  HG#) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   762 ! spec=13CARO, no=762, id=3647, vol=6.240000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   19 and name  HE#) (segid "   D" and resid   48 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   10 and name  HG#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   48 and name  HG#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   B" and resid   48 and name  HG#) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   762 ! spec=13CARO, no=762, id=3647, vol=6.240000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   19 and name  HE#) (segid "   A" and resid   48 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   10 and name  HG#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   48 and name  HG#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   A" and resid   48 and name  HG#) 2.491 0.776 0.776 weight 1.000 spectrum  2 peak   762 ! spec=13CARO, no=762, id=3647, vol=6.240000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   19 and name  HE#) (segid "   B" and resid   48 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   10 and name  HG#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   48 and name  HG#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   18 and name  HB#) 2.699 0.911 1.059 weight 1.000 spectrum  2 peak   765 ! spec=13CARO, no=765, id=3650, vol=3.860000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HG)
    or (segid "   A" and resid   28 and name  HE#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   A" and resid   28 and name  HE#) (segid "   C" and resid   27 and name   HG)
    or (segid "   A" and resid   40 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   18 and name  HB#) 2.699 0.911 1.059 weight 1.000 spectrum  2 peak   765 ! spec=13CARO, no=765, id=3650, vol=3.860000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HG)
    or (segid "   B" and resid   28 and name  HE#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   B" and resid   28 and name  HE#) (segid "   D" and resid   27 and name   HG)
    or (segid "   B" and resid   40 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   18 and name  HB#) 2.699 0.911 1.059 weight 1.000 spectrum  2 peak   765 ! spec=13CARO, no=765, id=3650, vol=3.860000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HG)
    or (segid "   C" and resid   28 and name  HE#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   C" and resid   28 and name  HE#) (segid "   A" and resid   27 and name   HG)
    or (segid "   C" and resid   40 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   18 and name  HB#) 2.699 0.911 1.059 weight 1.000 spectrum  2 peak   765 ! spec=13CARO, no=765, id=3650, vol=3.860000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HG)
    or (segid "   D" and resid   28 and name  HE#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   D" and resid   28 and name  HE#) (segid "   B" and resid   27 and name   HG)
    or (segid "   D" and resid   40 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.621 0.858 0.858 weight 1.000 spectrum  3 peak   113 ! spec=13CMETHYL, no=113, id=594, vol=5.320000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.621 0.858 0.858 weight 1.000 spectrum  3 peak   113 ! spec=13CMETHYL, no=113, id=594, vol=5.320000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.621 0.858 0.858 weight 1.000 spectrum  3 peak   113 ! spec=13CMETHYL, no=113, id=594, vol=5.320000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.621 0.858 0.858 weight 1.000 spectrum  3 peak   113 ! spec=13CMETHYL, no=113, id=594, vol=5.320000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   25 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  3 peak   114 ! spec=13CMETHYL, no=114, id=595, vol=4.980000e+05
    or (segid "   A" and resid   25 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   B" and resid   25 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  3 peak   114 ! spec=13CMETHYL, no=114, id=595, vol=4.980000e+05
    or (segid "   B" and resid   25 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   C" and resid   25 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  3 peak   114 ! spec=13CMETHYL, no=114, id=595, vol=4.980000e+05
    or (segid "   C" and resid   25 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   D" and resid   25 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.650 2.650 3.350 weight 1.000 spectrum  3 peak   114 ! spec=13CMETHYL, no=114, id=595, vol=4.980000e+05
    or (segid "   D" and resid   25 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HD1#) 2.775 0.963 0.963 weight 1.000 spectrum  3 peak   116 ! spec=13CMETHYL, no=116, id=597, vol=3.770000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HD1#) 2.775 0.963 0.963 weight 1.000 spectrum  3 peak   116 ! spec=13CMETHYL, no=116, id=597, vol=3.770000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HD1#) 2.775 0.963 0.963 weight 1.000 spectrum  3 peak   116 ! spec=13CMETHYL, no=116, id=597, vol=3.770000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HD1#) 2.775 0.963 0.963 weight 1.000 spectrum  3 peak   116 ! spec=13CMETHYL, no=116, id=597, vol=3.770000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   B" and resid   17 and name HG2#) 3.205 3.205 2.795 weight 1.000 spectrum  3 peak   118 ! spec=13CMETHYL, no=118, id=599, vol=1.590000e+05
    or (segid "   A" and resid   22 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid    4 and name HG2#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   A" and resid   17 and name HG2#) 3.205 3.205 2.795 weight 1.000 spectrum  3 peak   118 ! spec=13CMETHYL, no=118, id=599, vol=1.590000e+05
    or (segid "   B" and resid   22 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid    4 and name HG2#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   D" and resid   17 and name HG2#) 3.205 3.205 2.795 weight 1.000 spectrum  3 peak   118 ! spec=13CMETHYL, no=118, id=599, vol=1.590000e+05
    or (segid "   C" and resid   22 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid    4 and name HG2#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   C" and resid   17 and name HG2#) 3.205 3.205 2.795 weight 1.000 spectrum  3 peak   118 ! spec=13CMETHYL, no=118, id=599, vol=1.590000e+05
    or (segid "   D" and resid   22 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid    4 and name HG2#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.891 2.891 3.109 weight 1.000 spectrum  3 peak   119 ! spec=13CMETHYL, no=119, id=600, vol=2.950000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.891 2.891 3.109 weight 1.000 spectrum  3 peak   119 ! spec=13CMETHYL, no=119, id=600, vol=2.950000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.891 2.891 3.109 weight 1.000 spectrum  3 peak   119 ! spec=13CMETHYL, no=119, id=600, vol=2.950000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.891 2.891 3.109 weight 1.000 spectrum  3 peak   119 ! spec=13CMETHYL, no=119, id=600, vol=2.950000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.595 0.842 0.842 weight 1.000 spectrum  3 peak   129 ! spec=13CMETHYL, no=129, id=604, vol=5.640000e+05
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   21 and name   HG) (segid "   D" and resid   17 and name HG2#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.595 0.842 0.842 weight 1.000 spectrum  3 peak   129 ! spec=13CMETHYL, no=129, id=604, vol=5.640000e+05
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   21 and name   HG) (segid "   C" and resid   17 and name HG2#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.595 0.842 0.842 weight 1.000 spectrum  3 peak   129 ! spec=13CMETHYL, no=129, id=604, vol=5.640000e+05
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   21 and name   HG) (segid "   B" and resid   17 and name HG2#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.595 0.842 0.842 weight 1.000 spectrum  3 peak   129 ! spec=13CMETHYL, no=129, id=604, vol=5.640000e+05
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   21 and name   HG) (segid "   A" and resid   17 and name HG2#)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.423 0.734 0.734 weight 1.000 spectrum  3 peak   139 ! spec=13CMETHYL, no=139, id=610, vol=8.510000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.423 0.734 0.734 weight 1.000 spectrum  3 peak   139 ! spec=13CMETHYL, no=139, id=610, vol=8.510000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.423 0.734 0.734 weight 1.000 spectrum  3 peak   139 ! spec=13CMETHYL, no=139, id=610, vol=8.510000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.423 0.734 0.734 weight 1.000 spectrum  3 peak   139 ! spec=13CMETHYL, no=139, id=610, vol=8.510000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HG2#) 1.930 0.466 0.466 weight 1.000 spectrum  3 peak   141 ! spec=13CMETHYL, no=141, id=612, vol=3.330000e+06
    or (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HG2#) 1.930 0.466 0.466 weight 1.000 spectrum  3 peak   141 ! spec=13CMETHYL, no=141, id=612, vol=3.330000e+06
    or (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HG2#) 1.930 0.466 0.466 weight 1.000 spectrum  3 peak   141 ! spec=13CMETHYL, no=141, id=612, vol=3.330000e+06
    or (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HG2#) 1.930 0.466 0.466 weight 1.000 spectrum  3 peak   141 ! spec=13CMETHYL, no=141, id=612, vol=3.330000e+06
    or (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HG2#) 1.836 0.421 0.421 weight 1.000 spectrum  3 peak   142 ! spec=13CMETHYL, no=142, id=613, vol=4.500000e+06
    or (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HG2#) 1.836 0.421 0.421 weight 1.000 spectrum  3 peak   142 ! spec=13CMETHYL, no=142, id=613, vol=4.500000e+06
    or (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HG2#) 1.836 0.421 0.421 weight 1.000 spectrum  3 peak   142 ! spec=13CMETHYL, no=142, id=613, vol=4.500000e+06
    or (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HG2#) 1.836 0.421 0.421 weight 1.000 spectrum  3 peak   142 ! spec=13CMETHYL, no=142, id=613, vol=4.500000e+06
    or (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.966 2.966 3.034 weight 1.000 spectrum  3 peak   144 ! spec=13CMETHYL, no=144, id=615, vol=2.530000e+05
    or (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.966 2.966 3.034 weight 1.000 spectrum  3 peak   144 ! spec=13CMETHYL, no=144, id=615, vol=2.530000e+05
    or (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.966 2.966 3.034 weight 1.000 spectrum  3 peak   144 ! spec=13CMETHYL, no=144, id=615, vol=2.530000e+05
    or (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.966 2.966 3.034 weight 1.000 spectrum  3 peak   144 ! spec=13CMETHYL, no=144, id=615, vol=2.530000e+05
    or (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HG2#) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   146 ! spec=13CMETHYL, no=146, id=617, vol=1.190000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   23 and name  HG#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HG2#) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   146 ! spec=13CMETHYL, no=146, id=617, vol=1.190000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   23 and name  HG#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HG2#) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   146 ! spec=13CMETHYL, no=146, id=617, vol=1.190000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   23 and name  HG#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HG2#) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   146 ! spec=13CMETHYL, no=146, id=617, vol=1.190000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   23 and name  HG#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HG2#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   150 ! spec=13CMETHYL, no=150, id=621, vol=4.950000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HG2#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   150 ! spec=13CMETHYL, no=150, id=621, vol=4.950000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HG2#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   150 ! spec=13CMETHYL, no=150, id=621, vol=4.950000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HG2#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   150 ! spec=13CMETHYL, no=150, id=621, vol=4.950000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.968 2.968 3.391 weight 1.000 spectrum  3 peak   151 ! spec=13CMETHYL, no=151, id=622, vol=2.520000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   28 and name  HB#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   A" and resid   28 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   28 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.968 2.968 3.391 weight 1.000 spectrum  3 peak   151 ! spec=13CMETHYL, no=151, id=622, vol=2.520000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   28 and name  HB#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   B" and resid   28 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   28 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.968 2.968 3.391 weight 1.000 spectrum  3 peak   151 ! spec=13CMETHYL, no=151, id=622, vol=2.520000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   28 and name  HB#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   C" and resid   28 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   28 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.968 2.968 3.391 weight 1.000 spectrum  3 peak   151 ! spec=13CMETHYL, no=151, id=622, vol=2.520000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   28 and name  HB#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   D" and resid   28 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   28 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   45 and name   HG) (segid "   C" and resid    4 and name HG2#) 1.893 1.893 4.107 weight 1.000 spectrum  3 peak   153 ! spec=13CMETHYL, no=153, id=623, vol=3.740000e+06
    or (segid "   A" and resid   46 and name   HG) (segid "   C" and resid    4 and name HG2#)
assign (segid "   B" and resid   45 and name   HG) (segid "   D" and resid    4 and name HG2#) 1.893 1.893 4.107 weight 1.000 spectrum  3 peak   153 ! spec=13CMETHYL, no=153, id=623, vol=3.740000e+06
    or (segid "   B" and resid   46 and name   HG) (segid "   D" and resid    4 and name HG2#)
assign (segid "   C" and resid   45 and name   HG) (segid "   A" and resid    4 and name HG2#) 1.893 1.893 4.107 weight 1.000 spectrum  3 peak   153 ! spec=13CMETHYL, no=153, id=623, vol=3.740000e+06
    or (segid "   C" and resid   46 and name   HG) (segid "   A" and resid    4 and name HG2#)
assign (segid "   D" and resid   45 and name   HG) (segid "   B" and resid    4 and name HG2#) 1.893 1.893 4.107 weight 1.000 spectrum  3 peak   153 ! spec=13CMETHYL, no=153, id=623, vol=3.740000e+06
    or (segid "   D" and resid   46 and name   HG) (segid "   B" and resid    4 and name HG2#)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.004 2.004 3.996 weight 1.000 spectrum  3 peak   166 ! spec=13CMETHYL, no=166, id=625, vol=2.660000e+06
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   19 and name  HG#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   19 and name  HG#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.004 2.004 3.996 weight 1.000 spectrum  3 peak   166 ! spec=13CMETHYL, no=166, id=625, vol=2.660000e+06
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   19 and name  HG#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   19 and name  HG#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.004 2.004 3.996 weight 1.000 spectrum  3 peak   166 ! spec=13CMETHYL, no=166, id=625, vol=2.660000e+06
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   19 and name  HG#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   19 and name  HG#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.004 2.004 3.996 weight 1.000 spectrum  3 peak   166 ! spec=13CMETHYL, no=166, id=625, vol=2.660000e+06
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   19 and name  HG#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   19 and name  HG#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.832 2.832 3.168 weight 1.000 spectrum  3 peak   168 ! spec=13CMETHYL, no=168, id=627, vol=3.340000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.832 2.832 3.168 weight 1.000 spectrum  3 peak   168 ! spec=13CMETHYL, no=168, id=627, vol=3.340000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.832 2.832 3.168 weight 1.000 spectrum  3 peak   168 ! spec=13CMETHYL, no=168, id=627, vol=3.340000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.832 2.832 3.168 weight 1.000 spectrum  3 peak   168 ! spec=13CMETHYL, no=168, id=627, vol=3.340000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   17 and name HD1#) 2.811 2.811 3.189 weight 1.000 spectrum  3 peak   169 ! spec=13CMETHYL, no=169, id=628, vol=3.490000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid    4 and name HG2#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   17 and name HD1#) 2.811 2.811 3.189 weight 1.000 spectrum  3 peak   169 ! spec=13CMETHYL, no=169, id=628, vol=3.490000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid    4 and name HG2#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   17 and name HD1#) 2.811 2.811 3.189 weight 1.000 spectrum  3 peak   169 ! spec=13CMETHYL, no=169, id=628, vol=3.490000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid    4 and name HG2#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   17 and name HD1#) 2.811 2.811 3.189 weight 1.000 spectrum  3 peak   169 ! spec=13CMETHYL, no=169, id=628, vol=3.490000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid    4 and name HG2#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   17 and name HD1#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak   170 ! spec=13CMETHYL, no=170, id=629, vol=2.270000e+05
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   17 and name HD1#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak   170 ! spec=13CMETHYL, no=170, id=629, vol=2.270000e+05
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   17 and name HD1#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak   170 ! spec=13CMETHYL, no=170, id=629, vol=2.270000e+05
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   17 and name HD1#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak   170 ! spec=13CMETHYL, no=170, id=629, vol=2.270000e+05
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   42 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.893 2.893 3.509 weight 1.000 spectrum  3 peak   178 ! spec=13CMETHYL, no=178, id=636, vol=2.940000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid    4 and name HG2#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.893 2.893 3.509 weight 1.000 spectrum  3 peak   178 ! spec=13CMETHYL, no=178, id=636, vol=2.940000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid    4 and name HG2#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.893 2.893 3.509 weight 1.000 spectrum  3 peak   178 ! spec=13CMETHYL, no=178, id=636, vol=2.940000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid    4 and name HG2#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.893 2.893 3.509 weight 1.000 spectrum  3 peak   178 ! spec=13CMETHYL, no=178, id=636, vol=2.940000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid    4 and name HG2#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HG2#) 1.987 1.987 4.013 weight 1.000 spectrum  3 peak   222 ! spec=13CMETHYL, no=222, id=647, vol=2.800000e+06
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HG2#) 1.987 1.987 4.013 weight 1.000 spectrum  3 peak   222 ! spec=13CMETHYL, no=222, id=647, vol=2.800000e+06
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HG2#) 1.987 1.987 4.013 weight 1.000 spectrum  3 peak   222 ! spec=13CMETHYL, no=222, id=647, vol=2.800000e+06
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HG2#) 1.987 1.987 4.013 weight 1.000 spectrum  3 peak   222 ! spec=13CMETHYL, no=222, id=647, vol=2.800000e+06
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   233 ! spec=13CMETHYL, no=233, id=653, vol=1.270000e+05
    or (segid "   A" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   233 ! spec=13CMETHYL, no=233, id=653, vol=1.270000e+05
    or (segid "   B" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   233 ! spec=13CMETHYL, no=233, id=653, vol=1.270000e+05
    or (segid "   C" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   233 ! spec=13CMETHYL, no=233, id=653, vol=1.270000e+05
    or (segid "   D" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.489 3.489 2.511 weight 1.000 spectrum  3 peak   248 ! spec=13CMETHYL, no=248, id=660, vol=9.560000e+04
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   18 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.489 3.489 2.511 weight 1.000 spectrum  3 peak   248 ! spec=13CMETHYL, no=248, id=660, vol=9.560000e+04
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   18 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.489 3.489 2.511 weight 1.000 spectrum  3 peak   248 ! spec=13CMETHYL, no=248, id=660, vol=9.560000e+04
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   18 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.489 3.489 2.511 weight 1.000 spectrum  3 peak   248 ! spec=13CMETHYL, no=248, id=660, vol=9.560000e+04
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   18 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak   252 ! spec=13CMETHYL, no=252, id=662, vol=1.480000e+05
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#)
    or (segid "   A" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak   252 ! spec=13CMETHYL, no=252, id=662, vol=1.480000e+05
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#)
    or (segid "   B" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak   252 ! spec=13CMETHYL, no=252, id=662, vol=1.480000e+05
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   17 and name HG1#)
    or (segid "   C" and resid   16 and name  HB#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak   252 ! spec=13CMETHYL, no=252, id=662, vol=1.480000e+05
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   17 and name HG1#)
    or (segid "   D" and resid   16 and name  HB#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   21 and name  HB#) 3.537 1.564 1.564 weight 1.000 spectrum  3 peak   253 ! spec=13CMETHYL, no=253, id=663, vol=8.800000e+04
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   21 and name  HB#) 3.537 1.564 1.564 weight 1.000 spectrum  3 peak   253 ! spec=13CMETHYL, no=253, id=663, vol=8.800000e+04
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   21 and name  HB#) 3.537 1.564 1.564 weight 1.000 spectrum  3 peak   253 ! spec=13CMETHYL, no=253, id=663, vol=8.800000e+04
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   21 and name  HB#) 3.537 1.564 1.564 weight 1.000 spectrum  3 peak   253 ! spec=13CMETHYL, no=253, id=663, vol=8.800000e+04
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.562 1.586 1.586 weight 1.000 spectrum  3 peak   254 ! spec=13CMETHYL, no=254, id=664, vol=8.440000e+04
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.562 1.586 1.586 weight 1.000 spectrum  3 peak   254 ! spec=13CMETHYL, no=254, id=664, vol=8.440000e+04
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.562 1.586 1.586 weight 1.000 spectrum  3 peak   254 ! spec=13CMETHYL, no=254, id=664, vol=8.440000e+04
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.562 1.586 1.586 weight 1.000 spectrum  3 peak   254 ! spec=13CMETHYL, no=254, id=664, vol=8.440000e+04
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   18 and name  HB#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak   264 ! spec=13CMETHYL, no=264, id=666, vol=1.720000e+05
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   31 and name   HB) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   18 and name  HB#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak   264 ! spec=13CMETHYL, no=264, id=666, vol=1.720000e+05
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   31 and name   HB) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   18 and name  HB#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak   264 ! spec=13CMETHYL, no=264, id=666, vol=1.720000e+05
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   31 and name   HB) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   18 and name  HB#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak   264 ! spec=13CMETHYL, no=264, id=666, vol=1.720000e+05
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   31 and name   HB) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.413 3.413 2.587 weight 1.000 spectrum  3 peak   265 ! spec=13CMETHYL, no=265, id=667, vol=1.090000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.413 3.413 2.587 weight 1.000 spectrum  3 peak   265 ! spec=13CMETHYL, no=265, id=667, vol=1.090000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.413 3.413 2.587 weight 1.000 spectrum  3 peak   265 ! spec=13CMETHYL, no=265, id=667, vol=1.090000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.413 3.413 2.587 weight 1.000 spectrum  3 peak   265 ! spec=13CMETHYL, no=265, id=667, vol=1.090000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.429 3.429 2.571 weight 1.000 spectrum  3 peak   266 ! spec=13CMETHYL, no=266, id=668, vol=1.060000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.429 3.429 2.571 weight 1.000 spectrum  3 peak   266 ! spec=13CMETHYL, no=266, id=668, vol=1.060000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.429 3.429 2.571 weight 1.000 spectrum  3 peak   266 ! spec=13CMETHYL, no=266, id=668, vol=1.060000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.429 3.429 2.571 weight 1.000 spectrum  3 peak   266 ! spec=13CMETHYL, no=266, id=668, vol=1.060000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   42 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.545 3.545 2.455 weight 1.000 spectrum  3 peak   267 ! spec=13CMETHYL, no=267, id=669, vol=8.680000e+04
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   42 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.545 3.545 2.455 weight 1.000 spectrum  3 peak   267 ! spec=13CMETHYL, no=267, id=669, vol=8.680000e+04
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   42 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.545 3.545 2.455 weight 1.000 spectrum  3 peak   267 ! spec=13CMETHYL, no=267, id=669, vol=8.680000e+04
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   42 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.545 3.545 2.455 weight 1.000 spectrum  3 peak   267 ! spec=13CMETHYL, no=267, id=669, vol=8.680000e+04
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   18 and name  HB#) 3.591 3.591 2.409 weight 1.000 spectrum  3 peak   275 ! spec=13CMETHYL, no=275, id=675, vol=8.040000e+04
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   27 and name   HG)
    or (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid   18 and name  HB#)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   18 and name  HB#) 3.591 3.591 2.409 weight 1.000 spectrum  3 peak   275 ! spec=13CMETHYL, no=275, id=675, vol=8.040000e+04
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   27 and name   HG)
    or (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid   18 and name  HB#)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   18 and name  HB#) 3.591 3.591 2.409 weight 1.000 spectrum  3 peak   275 ! spec=13CMETHYL, no=275, id=675, vol=8.040000e+04
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   27 and name   HG)
    or (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid   18 and name  HB#)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   18 and name  HB#) 3.591 3.591 2.409 weight 1.000 spectrum  3 peak   275 ! spec=13CMETHYL, no=275, id=675, vol=8.040000e+04
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   27 and name   HG)
    or (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid   18 and name  HB#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   18 and name  HB#) 3.592 1.613 1.613 weight 1.000 spectrum  3 peak   280 ! spec=13CMETHYL, no=280, id=678, vol=8.020000e+04
    or (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   18 and name  HB#) 3.592 1.613 1.613 weight 1.000 spectrum  3 peak   280 ! spec=13CMETHYL, no=280, id=678, vol=8.020000e+04
    or (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   18 and name  HB#) 3.592 1.613 1.613 weight 1.000 spectrum  3 peak   280 ! spec=13CMETHYL, no=280, id=678, vol=8.020000e+04
    or (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   18 and name  HB#) 3.592 1.613 1.613 weight 1.000 spectrum  3 peak   280 ! spec=13CMETHYL, no=280, id=678, vol=8.020000e+04
    or (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   25 and name  HB#) 2.497 2.497 3.503 weight 1.000 spectrum  3 peak   296 ! spec=13CMETHYL, no=296, id=681, vol=7.110000e+05
    or (segid "   A" and resid   21 and name   HG) (segid "   C" and resid   25 and name  HB#)
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   25 and name  HB#) 2.497 2.497 3.503 weight 1.000 spectrum  3 peak   296 ! spec=13CMETHYL, no=296, id=681, vol=7.110000e+05
    or (segid "   B" and resid   21 and name   HG) (segid "   D" and resid   25 and name  HB#)
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   25 and name  HB#) 2.497 2.497 3.503 weight 1.000 spectrum  3 peak   296 ! spec=13CMETHYL, no=296, id=681, vol=7.110000e+05
    or (segid "   C" and resid   21 and name   HG) (segid "   A" and resid   25 and name  HB#)
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   25 and name  HB#) 2.497 2.497 3.503 weight 1.000 spectrum  3 peak   296 ! spec=13CMETHYL, no=296, id=681, vol=7.110000e+05
    or (segid "   D" and resid   21 and name   HG) (segid "   B" and resid   25 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HG2#) 2.784 2.784 3.216 weight 1.000 spectrum  3 peak   306 ! spec=13CMETHYL, no=306, id=686, vol=3.700000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name  HG#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HG2#) 2.784 2.784 3.216 weight 1.000 spectrum  3 peak   306 ! spec=13CMETHYL, no=306, id=686, vol=3.700000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name  HG#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HG2#) 2.784 2.784 3.216 weight 1.000 spectrum  3 peak   306 ! spec=13CMETHYL, no=306, id=686, vol=3.700000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name  HG#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HG2#) 2.784 2.784 3.216 weight 1.000 spectrum  3 peak   306 ! spec=13CMETHYL, no=306, id=686, vol=3.700000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name  HG#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HG#) 3.440 3.440 2.560 weight 1.000 spectrum  3 peak   309 ! spec=13CMETHYL, no=309, id=689, vol=1.040000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HG#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HG#) 3.440 3.440 2.560 weight 1.000 spectrum  3 peak   309 ! spec=13CMETHYL, no=309, id=689, vol=1.040000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HG#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HG#) 3.440 3.440 2.560 weight 1.000 spectrum  3 peak   309 ! spec=13CMETHYL, no=309, id=689, vol=1.040000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HG#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HG#) 3.440 3.440 2.560 weight 1.000 spectrum  3 peak   309 ! spec=13CMETHYL, no=309, id=689, vol=1.040000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HG#)
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   22 and name  HG#) 2.233 2.233 3.767 weight 1.000 spectrum  3 peak   311 ! spec=13CMETHYL, no=311, id=690, vol=1.390000e+06
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   25 and name  HB#)
    or (segid "   A" and resid   21 and name   HG) (segid "   C" and resid   25 and name  HB#)
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   22 and name  HG#) 2.233 2.233 3.767 weight 1.000 spectrum  3 peak   311 ! spec=13CMETHYL, no=311, id=690, vol=1.390000e+06
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   25 and name  HB#)
    or (segid "   B" and resid   21 and name   HG) (segid "   D" and resid   25 and name  HB#)
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   22 and name  HG#) 2.233 2.233 3.767 weight 1.000 spectrum  3 peak   311 ! spec=13CMETHYL, no=311, id=690, vol=1.390000e+06
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   25 and name  HB#)
    or (segid "   C" and resid   21 and name   HG) (segid "   A" and resid   25 and name  HB#)
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   22 and name  HG#) 2.233 2.233 3.767 weight 1.000 spectrum  3 peak   311 ! spec=13CMETHYL, no=311, id=690, vol=1.390000e+06
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   25 and name  HB#)
    or (segid "   D" and resid   21 and name   HG) (segid "   B" and resid   25 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#) 3.574 1.597 1.597 weight 1.000 spectrum  3 peak   315 ! spec=13CMETHYL, no=315, id=692, vol=8.270000e+04
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#) 3.574 1.597 1.597 weight 1.000 spectrum  3 peak   315 ! spec=13CMETHYL, no=315, id=692, vol=8.270000e+04
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#) 3.574 1.597 1.597 weight 1.000 spectrum  3 peak   315 ! spec=13CMETHYL, no=315, id=692, vol=8.270000e+04
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#) 3.574 1.597 1.597 weight 1.000 spectrum  3 peak   315 ! spec=13CMETHYL, no=315, id=692, vol=8.270000e+04
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HG2#) 2.925 2.925 3.075 weight 1.000 spectrum  3 peak   333 ! spec=13CMETHYL, no=333, id=700, vol=2.750000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name  HG#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HG2#) 2.925 2.925 3.075 weight 1.000 spectrum  3 peak   333 ! spec=13CMETHYL, no=333, id=700, vol=2.750000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name  HG#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HG2#) 2.925 2.925 3.075 weight 1.000 spectrum  3 peak   333 ! spec=13CMETHYL, no=333, id=700, vol=2.750000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name  HG#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HG2#) 2.925 2.925 3.075 weight 1.000 spectrum  3 peak   333 ! spec=13CMETHYL, no=333, id=700, vol=2.750000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name  HG#)
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   20 and name  HG#) 1.898 1.898 4.102 weight 1.000 spectrum  3 peak   335 ! spec=13CMETHYL, no=335, id=702, vol=3.680000e+06
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   21 and name   HG) (segid "   B" and resid   22 and name  HG#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   20 and name  HG#) 1.898 1.898 4.102 weight 1.000 spectrum  3 peak   335 ! spec=13CMETHYL, no=335, id=702, vol=3.680000e+06
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   21 and name   HG) (segid "   A" and resid   22 and name  HG#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   20 and name  HG#) 1.898 1.898 4.102 weight 1.000 spectrum  3 peak   335 ! spec=13CMETHYL, no=335, id=702, vol=3.680000e+06
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   21 and name   HG) (segid "   D" and resid   22 and name  HG#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   20 and name  HG#) 1.898 1.898 4.102 weight 1.000 spectrum  3 peak   335 ! spec=13CMETHYL, no=335, id=702, vol=3.680000e+06
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   21 and name   HG) (segid "   C" and resid   22 and name  HG#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   12 and name  HG#) 3.302 1.363 1.363 weight 1.000 spectrum  3 peak   344 ! spec=13CMETHYL, no=344, id=707, vol=1.330000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HG#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   12 and name  HG#) 3.302 1.363 1.363 weight 1.000 spectrum  3 peak   344 ! spec=13CMETHYL, no=344, id=707, vol=1.330000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HG#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   12 and name  HG#) 3.302 1.363 1.363 weight 1.000 spectrum  3 peak   344 ! spec=13CMETHYL, no=344, id=707, vol=1.330000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HG#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   12 and name  HG#) 3.302 1.363 1.363 weight 1.000 spectrum  3 peak   344 ! spec=13CMETHYL, no=344, id=707, vol=1.330000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HG#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HG#) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak   352 ! spec=13CMETHYL, no=352, id=714, vol=1.710000e+05
    or (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HG#) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak   352 ! spec=13CMETHYL, no=352, id=714, vol=1.710000e+05
    or (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HG#) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak   352 ! spec=13CMETHYL, no=352, id=714, vol=1.710000e+05
    or (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HG#) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak   352 ! spec=13CMETHYL, no=352, id=714, vol=1.710000e+05
    or (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HB#) 1.662 0.345 0.345 weight 1.000 spectrum  3 peak   371 ! spec=13CMETHYL, no=371, id=720, vol=8.190000e+06
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HG#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HB#) 1.662 0.345 0.345 weight 1.000 spectrum  3 peak   371 ! spec=13CMETHYL, no=371, id=720, vol=8.190000e+06
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HG#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HB#) 1.662 0.345 0.345 weight 1.000 spectrum  3 peak   371 ! spec=13CMETHYL, no=371, id=720, vol=8.190000e+06
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HG#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HB#) 1.662 0.345 0.345 weight 1.000 spectrum  3 peak   371 ! spec=13CMETHYL, no=371, id=720, vol=8.190000e+06
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HG#)
assign (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   10 and name  HG#) 3.373 3.373 2.627 weight 1.000 spectrum  3 peak   372 ! spec=13CMETHYL, no=372, id=721, vol=1.170000e+05
    or (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   21 and name   HG)
    or (segid "   A" and resid   13 and name  HG#) (segid "   B" and resid   21 and name   HG)
    or (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   21 and name   HG)
assign (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   10 and name  HG#) 3.373 3.373 2.627 weight 1.000 spectrum  3 peak   372 ! spec=13CMETHYL, no=372, id=721, vol=1.170000e+05
    or (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   21 and name   HG)
    or (segid "   B" and resid   13 and name  HG#) (segid "   A" and resid   21 and name   HG)
    or (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   21 and name   HG)
assign (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   10 and name  HG#) 3.373 3.373 2.627 weight 1.000 spectrum  3 peak   372 ! spec=13CMETHYL, no=372, id=721, vol=1.170000e+05
    or (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   21 and name   HG)
    or (segid "   C" and resid   13 and name  HG#) (segid "   D" and resid   21 and name   HG)
    or (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   21 and name   HG)
assign (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   10 and name  HG#) 3.373 3.373 2.627 weight 1.000 spectrum  3 peak   372 ! spec=13CMETHYL, no=372, id=721, vol=1.170000e+05
    or (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   21 and name   HG)
    or (segid "   D" and resid   13 and name  HG#) (segid "   C" and resid   21 and name   HG)
    or (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   21 and name   HG)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HG#) 1.991 0.495 0.495 weight 1.000 spectrum  3 peak   374 ! spec=13CMETHYL, no=374, id=723, vol=2.770000e+06
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HG#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HG#) 1.991 0.495 0.495 weight 1.000 spectrum  3 peak   374 ! spec=13CMETHYL, no=374, id=723, vol=2.770000e+06
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HG#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HG#) 1.991 0.495 0.495 weight 1.000 spectrum  3 peak   374 ! spec=13CMETHYL, no=374, id=723, vol=2.770000e+06
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HG#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HG#) 1.991 0.495 0.495 weight 1.000 spectrum  3 peak   374 ! spec=13CMETHYL, no=374, id=723, vol=2.770000e+06
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HG#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name  HG#) 2.322 0.674 0.674 weight 1.000 spectrum  3 peak   378 ! spec=13CMETHYL, no=378, id=725, vol=1.100000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name  HG#) 2.322 0.674 0.674 weight 1.000 spectrum  3 peak   378 ! spec=13CMETHYL, no=378, id=725, vol=1.100000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name  HG#) 2.322 0.674 0.674 weight 1.000 spectrum  3 peak   378 ! spec=13CMETHYL, no=378, id=725, vol=1.100000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name  HG#) 2.322 0.674 0.674 weight 1.000 spectrum  3 peak   378 ! spec=13CMETHYL, no=378, id=725, vol=1.100000e+06
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    7 and name  HB#) 2.798 0.979 0.979 weight 1.000 spectrum  3 peak   394 ! spec=13CMETHYL, no=394, id=731, vol=3.590000e+05
    or (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    7 and name  HB#)
    or (segid "   A" and resid    9 and name   HB) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid    7 and name  HB#) 2.798 0.979 0.979 weight 1.000 spectrum  3 peak   394 ! spec=13CMETHYL, no=394, id=731, vol=3.590000e+05
    or (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    7 and name  HB#)
    or (segid "   B" and resid    9 and name   HB) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid    7 and name  HB#) 2.798 0.979 0.979 weight 1.000 spectrum  3 peak   394 ! spec=13CMETHYL, no=394, id=731, vol=3.590000e+05
    or (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    7 and name  HB#)
    or (segid "   C" and resid    9 and name   HB) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid    7 and name  HB#) 2.798 0.979 0.979 weight 1.000 spectrum  3 peak   394 ! spec=13CMETHYL, no=394, id=731, vol=3.590000e+05
    or (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    7 and name  HB#)
    or (segid "   D" and resid    9 and name   HB) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name  HB#) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak   396 ! spec=13CMETHYL, no=396, id=733, vol=2.550000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   48 and name  HG#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name  HB#) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak   396 ! spec=13CMETHYL, no=396, id=733, vol=2.550000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   48 and name  HG#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name  HB#) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak   396 ! spec=13CMETHYL, no=396, id=733, vol=2.550000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   48 and name  HG#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name  HB#) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak   396 ! spec=13CMETHYL, no=396, id=733, vol=2.550000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   48 and name  HG#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   17 and name HG2#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak   407 ! spec=13CMETHYL, no=407, id=738, vol=6.820000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name  HD#)
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   17 and name HG2#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak   407 ! spec=13CMETHYL, no=407, id=738, vol=6.820000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name  HD#)
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   17 and name HG2#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak   407 ! spec=13CMETHYL, no=407, id=738, vol=6.820000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name  HD#)
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   17 and name HG2#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak   407 ! spec=13CMETHYL, no=407, id=738, vol=6.820000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name  HD#)
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   46 and name  HB#) 3.378 1.426 1.426 weight 1.000 spectrum  3 peak   412 ! spec=13CMETHYL, no=412, id=741, vol=1.160000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   20 and name  HD#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   46 and name  HB#) 3.378 1.426 1.426 weight 1.000 spectrum  3 peak   412 ! spec=13CMETHYL, no=412, id=741, vol=1.160000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   20 and name  HD#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   46 and name  HB#) 3.378 1.426 1.426 weight 1.000 spectrum  3 peak   412 ! spec=13CMETHYL, no=412, id=741, vol=1.160000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   20 and name  HD#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   46 and name  HB#) 3.378 1.426 1.426 weight 1.000 spectrum  3 peak   412 ! spec=13CMETHYL, no=412, id=741, vol=1.160000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   20 and name  HD#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   12 and name  HG#) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak   416 ! spec=13CMETHYL, no=416, id=744, vol=4.720000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   12 and name  HG#) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak   416 ! spec=13CMETHYL, no=416, id=744, vol=4.720000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   12 and name  HG#) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak   416 ! spec=13CMETHYL, no=416, id=744, vol=4.720000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   12 and name  HG#) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak   416 ! spec=13CMETHYL, no=416, id=744, vol=4.720000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.999 2.999 3.001 weight 1.000 spectrum  3 peak   421 ! spec=13CMETHYL, no=421, id=749, vol=2.370000e+05
    or (segid "   A" and resid   13 and name  HB#) (segid "   D" and resid   20 and name  HD#)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.999 2.999 3.001 weight 1.000 spectrum  3 peak   421 ! spec=13CMETHYL, no=421, id=749, vol=2.370000e+05
    or (segid "   B" and resid   13 and name  HB#) (segid "   C" and resid   20 and name  HD#)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.999 2.999 3.001 weight 1.000 spectrum  3 peak   421 ! spec=13CMETHYL, no=421, id=749, vol=2.370000e+05
    or (segid "   C" and resid   13 and name  HB#) (segid "   B" and resid   20 and name  HD#)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.999 2.999 3.001 weight 1.000 spectrum  3 peak   421 ! spec=13CMETHYL, no=421, id=749, vol=2.370000e+05
    or (segid "   D" and resid   13 and name  HB#) (segid "   A" and resid   20 and name  HD#)
assign (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   10 and name  HB#) 3.310 3.310 2.690 weight 1.000 spectrum  3 peak   431 ! spec=13CMETHYL, no=431, id=752, vol=1.310000e+05
    or (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   12 and name  HG#)
assign (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   10 and name  HB#) 3.310 3.310 2.690 weight 1.000 spectrum  3 peak   431 ! spec=13CMETHYL, no=431, id=752, vol=1.310000e+05
    or (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   12 and name  HG#)
assign (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   10 and name  HB#) 3.310 3.310 2.690 weight 1.000 spectrum  3 peak   431 ! spec=13CMETHYL, no=431, id=752, vol=1.310000e+05
    or (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   12 and name  HG#)
assign (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   10 and name  HB#) 3.310 3.310 2.690 weight 1.000 spectrum  3 peak   431 ! spec=13CMETHYL, no=431, id=752, vol=1.310000e+05
    or (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   12 and name  HG#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HB#) 1.717 0.369 0.369 weight 1.000 spectrum  3 peak   444 ! spec=13CMETHYL, no=444, id=759, vol=6.720000e+06
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HB#) 1.717 0.369 0.369 weight 1.000 spectrum  3 peak   444 ! spec=13CMETHYL, no=444, id=759, vol=6.720000e+06
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HB#) 1.717 0.369 0.369 weight 1.000 spectrum  3 peak   444 ! spec=13CMETHYL, no=444, id=759, vol=6.720000e+06
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HB#) 1.717 0.369 0.369 weight 1.000 spectrum  3 peak   444 ! spec=13CMETHYL, no=444, id=759, vol=6.720000e+06
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HB#)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   19 and name  HB#) 2.252 2.252 3.748 weight 1.000 spectrum  3 peak   455 ! spec=13CMETHYL, no=455, id=762, vol=1.320000e+06
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   25 and name   HG)
    or (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid   10 and name  HB#)
    or (segid "   A" and resid   22 and name  HG#) (segid "   C" and resid   48 and name  HB#)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   19 and name  HB#) 2.252 2.252 3.748 weight 1.000 spectrum  3 peak   455 ! spec=13CMETHYL, no=455, id=762, vol=1.320000e+06
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   25 and name   HG)
    or (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid   10 and name  HB#)
    or (segid "   B" and resid   22 and name  HG#) (segid "   D" and resid   48 and name  HB#)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   19 and name  HB#) 2.252 2.252 3.748 weight 1.000 spectrum  3 peak   455 ! spec=13CMETHYL, no=455, id=762, vol=1.320000e+06
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   25 and name   HG)
    or (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid   10 and name  HB#)
    or (segid "   C" and resid   22 and name  HG#) (segid "   A" and resid   48 and name  HB#)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   19 and name  HB#) 2.252 2.252 3.748 weight 1.000 spectrum  3 peak   455 ! spec=13CMETHYL, no=455, id=762, vol=1.320000e+06
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   25 and name   HG)
    or (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid   10 and name  HB#)
    or (segid "   D" and resid   22 and name  HG#) (segid "   B" and resid   48 and name  HB#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   19 and name  HB#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   456 ! spec=13CMETHYL, no=456, id=763, vol=7.340000e+05
    or (segid "   A" and resid   20 and name  HG#) (segid "   C" and resid   25 and name   HG)
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   19 and name  HB#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   456 ! spec=13CMETHYL, no=456, id=763, vol=7.340000e+05
    or (segid "   B" and resid   20 and name  HG#) (segid "   D" and resid   25 and name   HG)
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   19 and name  HB#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   456 ! spec=13CMETHYL, no=456, id=763, vol=7.340000e+05
    or (segid "   C" and resid   20 and name  HG#) (segid "   A" and resid   25 and name   HG)
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   19 and name  HB#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   456 ! spec=13CMETHYL, no=456, id=763, vol=7.340000e+05
    or (segid "   D" and resid   20 and name  HG#) (segid "   B" and resid   25 and name   HG)
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak   465 ! spec=13CMETHYL, no=465, id=764, vol=1.820000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   45 and name  HB#)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak   465 ! spec=13CMETHYL, no=465, id=764, vol=1.820000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   45 and name  HB#)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak   465 ! spec=13CMETHYL, no=465, id=764, vol=1.820000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   45 and name  HB#)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak   465 ! spec=13CMETHYL, no=465, id=764, vol=1.820000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   45 and name  HB#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name  HB#) 2.773 0.961 0.961 weight 1.000 spectrum  3 peak   466 ! spec=13CMETHYL, no=466, id=765, vol=3.790000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    7 and name   HG)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name  HB#) 2.773 0.961 0.961 weight 1.000 spectrum  3 peak   466 ! spec=13CMETHYL, no=466, id=765, vol=3.790000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    7 and name   HG)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name  HB#) 2.773 0.961 0.961 weight 1.000 spectrum  3 peak   466 ! spec=13CMETHYL, no=466, id=765, vol=3.790000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    7 and name   HG)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name  HB#) 2.773 0.961 0.961 weight 1.000 spectrum  3 peak   466 ! spec=13CMETHYL, no=466, id=765, vol=3.790000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    7 and name   HG)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   45 and name  HB#) 2.997 2.997 3.003 weight 1.000 spectrum  3 peak   469 ! spec=13CMETHYL, no=469, id=768, vol=2.380000e+05
    or (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   45 and name  HB#) 2.997 2.997 3.003 weight 1.000 spectrum  3 peak   469 ! spec=13CMETHYL, no=469, id=768, vol=2.380000e+05
    or (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   45 and name  HB#) 2.997 2.997 3.003 weight 1.000 spectrum  3 peak   469 ! spec=13CMETHYL, no=469, id=768, vol=2.380000e+05
    or (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   45 and name  HB#) 2.997 2.997 3.003 weight 1.000 spectrum  3 peak   469 ! spec=13CMETHYL, no=469, id=768, vol=2.380000e+05
    or (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name  HB#) 1.597 0.319 0.319 weight 1.000 spectrum  3 peak   473 ! spec=13CMETHYL, no=473, id=770, vol=1.040000e+07
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name  HB#) 1.597 0.319 0.319 weight 1.000 spectrum  3 peak   473 ! spec=13CMETHYL, no=473, id=770, vol=1.040000e+07
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name  HB#) 1.597 0.319 0.319 weight 1.000 spectrum  3 peak   473 ! spec=13CMETHYL, no=473, id=770, vol=1.040000e+07
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name  HB#) 1.597 0.319 0.319 weight 1.000 spectrum  3 peak   473 ! spec=13CMETHYL, no=473, id=770, vol=1.040000e+07
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   19 and name  HB#) 3.095 3.095 2.905 weight 1.000 spectrum  3 peak   478 ! spec=13CMETHYL, no=478, id=774, vol=1.960000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    7 and name   HG)
    or (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   19 and name  HB#) 3.095 3.095 2.905 weight 1.000 spectrum  3 peak   478 ! spec=13CMETHYL, no=478, id=774, vol=1.960000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    7 and name   HG)
    or (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   19 and name  HB#) 3.095 3.095 2.905 weight 1.000 spectrum  3 peak   478 ! spec=13CMETHYL, no=478, id=774, vol=1.960000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    7 and name   HG)
    or (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   19 and name  HB#) 3.095 3.095 2.905 weight 1.000 spectrum  3 peak   478 ! spec=13CMETHYL, no=478, id=774, vol=1.960000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    7 and name   HG)
    or (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name  HB#) 1.870 1.870 4.130 weight 1.000 spectrum  3 peak   484 ! spec=13CMETHYL, no=484, id=776, vol=4.030000e+06
    or (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name  HB#) 1.870 1.870 4.130 weight 1.000 spectrum  3 peak   484 ! spec=13CMETHYL, no=484, id=776, vol=4.030000e+06
    or (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name  HB#) 1.870 1.870 4.130 weight 1.000 spectrum  3 peak   484 ! spec=13CMETHYL, no=484, id=776, vol=4.030000e+06
    or (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name  HB#) 1.870 1.870 4.130 weight 1.000 spectrum  3 peak   484 ! spec=13CMETHYL, no=484, id=776, vol=4.030000e+06
    or (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   17 and name HG2#) 1.958 0.479 0.619 weight 1.000 spectrum  3 peak   485 ! spec=13CMETHYL, no=485, id=777, vol=3.060000e+06
    or (segid "   A" and resid   17 and name HG2#) (segid "   B" and resid   25 and name   HG)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   17 and name HG1#)
    or (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HG2#)
assign (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   17 and name HG2#) 1.958 0.479 0.619 weight 1.000 spectrum  3 peak   485 ! spec=13CMETHYL, no=485, id=777, vol=3.060000e+06
    or (segid "   B" and resid   17 and name HG2#) (segid "   A" and resid   25 and name   HG)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   17 and name HG1#)
    or (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HG2#)
assign (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   17 and name HG2#) 1.958 0.479 0.619 weight 1.000 spectrum  3 peak   485 ! spec=13CMETHYL, no=485, id=777, vol=3.060000e+06
    or (segid "   C" and resid   17 and name HG2#) (segid "   D" and resid   25 and name   HG)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   17 and name HG1#)
    or (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HG2#)
assign (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   17 and name HG2#) 1.958 0.479 0.619 weight 1.000 spectrum  3 peak   485 ! spec=13CMETHYL, no=485, id=777, vol=3.060000e+06
    or (segid "   D" and resid   17 and name HG2#) (segid "   C" and resid   25 and name   HG)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   17 and name HG1#)
    or (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HG2#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   27 and name  HB#) 3.531 1.559 1.559 weight 1.000 spectrum  3 peak   489 ! spec=13CMETHYL, no=489, id=780, vol=8.890000e+04
    or (segid "   A" and resid   29 and name  HG#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   A" and resid   29 and name  HG#) (segid "   C" and resid   35 and name   HG)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   27 and name  HB#) 3.531 1.559 1.559 weight 1.000 spectrum  3 peak   489 ! spec=13CMETHYL, no=489, id=780, vol=8.890000e+04
    or (segid "   B" and resid   29 and name  HG#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   B" and resid   29 and name  HG#) (segid "   D" and resid   35 and name   HG)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   27 and name  HB#) 3.531 1.559 1.559 weight 1.000 spectrum  3 peak   489 ! spec=13CMETHYL, no=489, id=780, vol=8.890000e+04
    or (segid "   C" and resid   29 and name  HG#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   C" and resid   29 and name  HG#) (segid "   A" and resid   35 and name   HG)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   27 and name  HB#) 3.531 1.559 1.559 weight 1.000 spectrum  3 peak   489 ! spec=13CMETHYL, no=489, id=780, vol=8.890000e+04
    or (segid "   D" and resid   29 and name  HG#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   D" and resid   29 and name  HG#) (segid "   B" and resid   35 and name   HG)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   27 and name  HB#) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak   494 ! spec=13CMETHYL, no=494, id=782, vol=9.080000e+04
    or (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   40 and name  HG#)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   27 and name  HB#) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak   494 ! spec=13CMETHYL, no=494, id=782, vol=9.080000e+04
    or (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   40 and name  HG#)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   27 and name  HB#) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak   494 ! spec=13CMETHYL, no=494, id=782, vol=9.080000e+04
    or (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   40 and name  HG#)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   27 and name  HB#) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak   494 ! spec=13CMETHYL, no=494, id=782, vol=9.080000e+04
    or (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   40 and name  HG#)
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   21 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak   497 ! spec=13CMETHYL, no=497, id=785, vol=6.150000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   A" and resid   20 and name  HD#) (segid "   C" and resid   25 and name   HG)
    or (segid "   A" and resid   20 and name  HD#) (segid "   D" and resid   17 and name HG1#)
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   21 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak   497 ! spec=13CMETHYL, no=497, id=785, vol=6.150000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   B" and resid   20 and name  HD#) (segid "   D" and resid   25 and name   HG)
    or (segid "   B" and resid   20 and name  HD#) (segid "   C" and resid   17 and name HG1#)
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   21 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak   497 ! spec=13CMETHYL, no=497, id=785, vol=6.150000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   C" and resid   20 and name  HD#) (segid "   A" and resid   25 and name   HG)
    or (segid "   C" and resid   20 and name  HD#) (segid "   B" and resid   17 and name HG1#)
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   21 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak   497 ! spec=13CMETHYL, no=497, id=785, vol=6.150000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   D" and resid   20 and name  HD#) (segid "   B" and resid   25 and name   HG)
    or (segid "   D" and resid   20 and name  HD#) (segid "   A" and resid   17 and name HG1#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HG#) 1.846 0.426 0.426 weight 1.000 spectrum  3 peak   511 ! spec=13CMETHYL, no=511, id=792, vol=4.350000e+06
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HG#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HG#) 1.846 0.426 0.426 weight 1.000 spectrum  3 peak   511 ! spec=13CMETHYL, no=511, id=792, vol=4.350000e+06
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HG#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HG#) 1.846 0.426 0.426 weight 1.000 spectrum  3 peak   511 ! spec=13CMETHYL, no=511, id=792, vol=4.350000e+06
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HG#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HG#) 1.846 0.426 0.426 weight 1.000 spectrum  3 peak   511 ! spec=13CMETHYL, no=511, id=792, vol=4.350000e+06
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HG#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   27 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   523 ! spec=13CMETHYL, no=523, id=799, vol=1.270000e+05
    or (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   27 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   523 ! spec=13CMETHYL, no=523, id=799, vol=1.270000e+05
    or (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   27 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   523 ! spec=13CMETHYL, no=523, id=799, vol=1.270000e+05
    or (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   27 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   523 ! spec=13CMETHYL, no=523, id=799, vol=1.270000e+05
    or (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   48 and name  HB#) 2.908 2.908 3.092 weight 1.000 spectrum  3 peak   524 ! spec=13CMETHYL, no=524, id=800, vol=2.850000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    7 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   48 and name  HB#) 2.908 2.908 3.092 weight 1.000 spectrum  3 peak   524 ! spec=13CMETHYL, no=524, id=800, vol=2.850000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    7 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   48 and name  HB#) 2.908 2.908 3.092 weight 1.000 spectrum  3 peak   524 ! spec=13CMETHYL, no=524, id=800, vol=2.850000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    7 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   48 and name  HB#) 2.908 2.908 3.092 weight 1.000 spectrum  3 peak   524 ! spec=13CMETHYL, no=524, id=800, vol=2.850000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    7 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name  HB#) 2.095 0.548 0.548 weight 1.000 spectrum  3 peak   535 ! spec=13CMETHYL, no=535, id=803, vol=2.040000e+06
    or (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HG1#)
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name  HB#) 2.095 0.548 0.548 weight 1.000 spectrum  3 peak   535 ! spec=13CMETHYL, no=535, id=803, vol=2.040000e+06
    or (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HG1#)
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name  HB#) 2.095 0.548 0.548 weight 1.000 spectrum  3 peak   535 ! spec=13CMETHYL, no=535, id=803, vol=2.040000e+06
    or (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HG1#)
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name  HB#) 2.095 0.548 0.548 weight 1.000 spectrum  3 peak   535 ! spec=13CMETHYL, no=535, id=803, vol=2.040000e+06
    or (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HG1#)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HG) 2.107 0.555 0.555 weight 1.000 spectrum  3 peak   537 ! spec=13CMETHYL, no=537, id=805, vol=1.970000e+06
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   22 and name  HB#)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HG) 2.107 0.555 0.555 weight 1.000 spectrum  3 peak   537 ! spec=13CMETHYL, no=537, id=805, vol=1.970000e+06
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   22 and name  HB#)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HG) 2.107 0.555 0.555 weight 1.000 spectrum  3 peak   537 ! spec=13CMETHYL, no=537, id=805, vol=1.970000e+06
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   22 and name  HB#)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HG) 2.107 0.555 0.555 weight 1.000 spectrum  3 peak   537 ! spec=13CMETHYL, no=537, id=805, vol=1.970000e+06
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   22 and name  HB#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name  HB#) 2.056 0.528 0.528 weight 1.000 spectrum  3 peak   539 ! spec=13CMETHYL, no=539, id=807, vol=2.280000e+06
    or (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name  HB#) 2.056 0.528 0.528 weight 1.000 spectrum  3 peak   539 ! spec=13CMETHYL, no=539, id=807, vol=2.280000e+06
    or (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name  HB#) 2.056 0.528 0.528 weight 1.000 spectrum  3 peak   539 ! spec=13CMETHYL, no=539, id=807, vol=2.280000e+06
    or (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name  HB#) 2.056 0.528 0.528 weight 1.000 spectrum  3 peak   539 ! spec=13CMETHYL, no=539, id=807, vol=2.280000e+06
    or (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HG#) 2.166 0.586 0.586 weight 1.000 spectrum  3 peak   544 ! spec=13CMETHYL, no=544, id=811, vol=1.670000e+06
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HG#) 2.166 0.586 0.586 weight 1.000 spectrum  3 peak   544 ! spec=13CMETHYL, no=544, id=811, vol=1.670000e+06
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HG#) 2.166 0.586 0.586 weight 1.000 spectrum  3 peak   544 ! spec=13CMETHYL, no=544, id=811, vol=1.670000e+06
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HG#) 2.166 0.586 0.586 weight 1.000 spectrum  3 peak   544 ! spec=13CMETHYL, no=544, id=811, vol=1.670000e+06
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name  HB#) 2.982 1.112 1.112 weight 1.000 spectrum  3 peak   546 ! spec=13CMETHYL, no=546, id=813, vol=2.450000e+05
    or (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name  HB#) 2.982 1.112 1.112 weight 1.000 spectrum  3 peak   546 ! spec=13CMETHYL, no=546, id=813, vol=2.450000e+05
    or (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name  HB#) 2.982 1.112 1.112 weight 1.000 spectrum  3 peak   546 ! spec=13CMETHYL, no=546, id=813, vol=2.450000e+05
    or (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name  HB#) 2.982 1.112 1.112 weight 1.000 spectrum  3 peak   546 ! spec=13CMETHYL, no=546, id=813, vol=2.450000e+05
    or (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   19 and name  HG#) 2.033 2.033 3.967 weight 1.000 spectrum  3 peak   559 ! spec=13CMETHYL, no=559, id=820, vol=2.440000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   19 and name  HG#) 2.033 2.033 3.967 weight 1.000 spectrum  3 peak   559 ! spec=13CMETHYL, no=559, id=820, vol=2.440000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   19 and name  HG#) 2.033 2.033 3.967 weight 1.000 spectrum  3 peak   559 ! spec=13CMETHYL, no=559, id=820, vol=2.440000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   19 and name  HG#) 2.033 2.033 3.967 weight 1.000 spectrum  3 peak   559 ! spec=13CMETHYL, no=559, id=820, vol=2.440000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   30 and name  HB#) 1.958 1.958 4.042 weight 1.000 spectrum  3 peak   565 ! spec=13CMETHYL, no=565, id=823, vol=3.060000e+06
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HB)
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   31 and name   HB)
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   35 and name  HB#)
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   C" and resid   19 and name  HG#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   30 and name  HB#) 1.958 1.958 4.042 weight 1.000 spectrum  3 peak   565 ! spec=13CMETHYL, no=565, id=823, vol=3.060000e+06
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HB)
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   31 and name   HB)
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   35 and name  HB#)
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   D" and resid   19 and name  HG#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   30 and name  HB#) 1.958 1.958 4.042 weight 1.000 spectrum  3 peak   565 ! spec=13CMETHYL, no=565, id=823, vol=3.060000e+06
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HB)
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   31 and name   HB)
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   35 and name  HB#)
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   A" and resid   19 and name  HG#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   30 and name  HB#) 1.958 1.958 4.042 weight 1.000 spectrum  3 peak   565 ! spec=13CMETHYL, no=565, id=823, vol=3.060000e+06
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HB)
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   31 and name   HB)
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   35 and name  HB#)
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   B" and resid   19 and name  HG#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   30 and name  HB#) 2.736 0.936 0.936 weight 1.000 spectrum  3 peak   582 ! spec=13CMETHYL, no=582, id=831, vol=4.110000e+05
    or (segid "   A" and resid   27 and name  HB#) (segid "   C" and resid   28 and name  HE#)
assign (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   30 and name  HB#) 2.736 0.936 0.936 weight 1.000 spectrum  3 peak   582 ! spec=13CMETHYL, no=582, id=831, vol=4.110000e+05
    or (segid "   B" and resid   27 and name  HB#) (segid "   D" and resid   28 and name  HE#)
assign (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   30 and name  HB#) 2.736 0.936 0.936 weight 1.000 spectrum  3 peak   582 ! spec=13CMETHYL, no=582, id=831, vol=4.110000e+05
    or (segid "   C" and resid   27 and name  HB#) (segid "   A" and resid   28 and name  HE#)
assign (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   30 and name  HB#) 2.736 0.936 0.936 weight 1.000 spectrum  3 peak   582 ! spec=13CMETHYL, no=582, id=831, vol=4.110000e+05
    or (segid "   D" and resid   27 and name  HB#) (segid "   B" and resid   28 and name  HE#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid    8 and name  HG#) 2.833 2.833 3.167 weight 1.000 spectrum  3 peak   583 ! spec=13CMETHYL, no=583, id=832, vol=3.330000e+05
    or (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   12 and name  HB#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   13 and name  HB#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   C" and resid   28 and name  HE#)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid    8 and name  HG#) 2.833 2.833 3.167 weight 1.000 spectrum  3 peak   583 ! spec=13CMETHYL, no=583, id=832, vol=3.330000e+05
    or (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   12 and name  HB#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   13 and name  HB#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   D" and resid   28 and name  HE#)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid    8 and name  HG#) 2.833 2.833 3.167 weight 1.000 spectrum  3 peak   583 ! spec=13CMETHYL, no=583, id=832, vol=3.330000e+05
    or (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   12 and name  HB#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   13 and name  HB#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   A" and resid   28 and name  HE#)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid    8 and name  HG#) 2.833 2.833 3.167 weight 1.000 spectrum  3 peak   583 ! spec=13CMETHYL, no=583, id=832, vol=3.330000e+05
    or (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   12 and name  HB#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   13 and name  HB#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   B" and resid   28 and name  HE#)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   13 and name  HB#) 1.946 0.474 0.474 weight 1.000 spectrum  3 peak   584 ! spec=13CMETHYL, no=584, id=833, vol=3.170000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   13 and name  HB#) 1.946 0.474 0.474 weight 1.000 spectrum  3 peak   584 ! spec=13CMETHYL, no=584, id=833, vol=3.170000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   13 and name  HB#) 1.946 0.474 0.474 weight 1.000 spectrum  3 peak   584 ! spec=13CMETHYL, no=584, id=833, vol=3.170000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   13 and name  HB#) 1.946 0.474 0.474 weight 1.000 spectrum  3 peak   584 ! spec=13CMETHYL, no=584, id=833, vol=3.170000e+06
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid   10 and name  HG#) 3.027 1.145 1.814 weight 1.000 spectrum  3 peak   587 ! spec=13CMETHYL, no=587, id=835, vol=2.240000e+05
    or (segid "   A" and resid   21 and name   HG) (segid "   C" and resid   28 and name  HE#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    8 and name  HG#)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid   10 and name  HG#) 3.027 1.145 1.814 weight 1.000 spectrum  3 peak   587 ! spec=13CMETHYL, no=587, id=835, vol=2.240000e+05
    or (segid "   B" and resid   21 and name   HG) (segid "   D" and resid   28 and name  HE#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    8 and name  HG#)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid   10 and name  HG#) 3.027 1.145 1.814 weight 1.000 spectrum  3 peak   587 ! spec=13CMETHYL, no=587, id=835, vol=2.240000e+05
    or (segid "   C" and resid   21 and name   HG) (segid "   A" and resid   28 and name  HE#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    8 and name  HG#)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid   10 and name  HG#) 3.027 1.145 1.814 weight 1.000 spectrum  3 peak   587 ! spec=13CMETHYL, no=587, id=835, vol=2.240000e+05
    or (segid "   D" and resid   21 and name   HG) (segid "   B" and resid   28 and name  HE#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    8 and name  HG#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   B" and resid   28 and name  HE#) 2.174 2.174 3.826 weight 1.000 spectrum  3 peak   590 ! spec=13CMETHYL, no=590, id=836, vol=1.630000e+06
    or (segid "   A" and resid   17 and name HG2#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   13 and name  HB#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   19 and name  HE#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   19 and name  HE#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   A" and resid   28 and name  HE#) 2.174 2.174 3.826 weight 1.000 spectrum  3 peak   590 ! spec=13CMETHYL, no=590, id=836, vol=1.630000e+06
    or (segid "   B" and resid   17 and name HG2#) (segid "   D" and resid   28 and name  HE#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   13 and name  HB#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   19 and name  HE#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   28 and name  HE#)
    or (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   19 and name  HE#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   D" and resid   28 and name  HE#) 2.174 2.174 3.826 weight 1.000 spectrum  3 peak   590 ! spec=13CMETHYL, no=590, id=836, vol=1.630000e+06
    or (segid "   C" and resid   17 and name HG2#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   13 and name  HB#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   19 and name  HE#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   19 and name  HE#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   C" and resid   28 and name  HE#) 2.174 2.174 3.826 weight 1.000 spectrum  3 peak   590 ! spec=13CMETHYL, no=590, id=836, vol=1.630000e+06
    or (segid "   D" and resid   17 and name HG2#) (segid "   B" and resid   28 and name  HE#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   13 and name  HB#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   19 and name  HE#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   28 and name  HE#)
    or (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   19 and name  HE#)
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HB#) 1.925 0.463 0.463 weight 1.000 spectrum  3 peak   601 ! spec=13CMETHYL, no=601, id=838, vol=3.390000e+06
    or (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name  HB#)
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HB#) 1.925 0.463 0.463 weight 1.000 spectrum  3 peak   601 ! spec=13CMETHYL, no=601, id=838, vol=3.390000e+06
    or (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name  HB#)
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HB#) 1.925 0.463 0.463 weight 1.000 spectrum  3 peak   601 ! spec=13CMETHYL, no=601, id=838, vol=3.390000e+06
    or (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name  HB#)
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HB#) 1.925 0.463 0.463 weight 1.000 spectrum  3 peak   601 ! spec=13CMETHYL, no=601, id=838, vol=3.390000e+06
    or (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name  HB#)
assign (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   26 and name  HB#) 1.910 0.456 0.456 weight 1.000 spectrum  3 peak   609 ! spec=13CMETHYL, no=609, id=844, vol=3.550000e+06
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   26 and name  HB#) 1.910 0.456 0.456 weight 1.000 spectrum  3 peak   609 ! spec=13CMETHYL, no=609, id=844, vol=3.550000e+06
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   26 and name  HB#) 1.910 0.456 0.456 weight 1.000 spectrum  3 peak   609 ! spec=13CMETHYL, no=609, id=844, vol=3.550000e+06
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   26 and name  HB#) 1.910 0.456 0.456 weight 1.000 spectrum  3 peak   609 ! spec=13CMETHYL, no=609, id=844, vol=3.550000e+06
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.217 0.615 0.615 weight 1.000 spectrum  3 peak   613 ! spec=13CMETHYL, no=613, id=847, vol=1.450000e+06
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name  HB#)
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.217 0.615 0.615 weight 1.000 spectrum  3 peak   613 ! spec=13CMETHYL, no=613, id=847, vol=1.450000e+06
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   30 and name  HB#)
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.217 0.615 0.615 weight 1.000 spectrum  3 peak   613 ! spec=13CMETHYL, no=613, id=847, vol=1.450000e+06
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   30 and name  HB#)
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.217 0.615 0.615 weight 1.000 spectrum  3 peak   613 ! spec=13CMETHYL, no=613, id=847, vol=1.450000e+06
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   30 and name  HB#)
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   633 ! spec=13CMETHYL, no=633, id=857, vol=1.350000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   633 ! spec=13CMETHYL, no=633, id=857, vol=1.350000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   633 ! spec=13CMETHYL, no=633, id=857, vol=1.350000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   633 ! spec=13CMETHYL, no=633, id=857, vol=1.350000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    2 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   634 ! spec=13CMETHYL, no=634, id=858, vol=1.200000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    5 and name  HB#)
    or (segid "   A" and resid   10 and name  HG#) (segid "   D" and resid   42 and name  HB#)
    or (segid "   A" and resid   10 and name  HG#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   21 and name   HG)
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   21 and name   HG) (segid "   B" and resid   22 and name  HB#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    5 and name  HB#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    2 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   634 ! spec=13CMETHYL, no=634, id=858, vol=1.200000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    5 and name  HB#)
    or (segid "   B" and resid   10 and name  HG#) (segid "   C" and resid   42 and name  HB#)
    or (segid "   B" and resid   10 and name  HG#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   21 and name   HG)
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   21 and name   HG) (segid "   A" and resid   22 and name  HB#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    5 and name  HB#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    2 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   634 ! spec=13CMETHYL, no=634, id=858, vol=1.200000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    5 and name  HB#)
    or (segid "   C" and resid   10 and name  HG#) (segid "   B" and resid   42 and name  HB#)
    or (segid "   C" and resid   10 and name  HG#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   21 and name   HG)
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   21 and name   HG) (segid "   D" and resid   22 and name  HB#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    5 and name  HB#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    2 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   634 ! spec=13CMETHYL, no=634, id=858, vol=1.200000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    5 and name  HB#)
    or (segid "   D" and resid   10 and name  HG#) (segid "   A" and resid   42 and name  HB#)
    or (segid "   D" and resid   10 and name  HG#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   21 and name   HG)
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   21 and name   HG) (segid "   C" and resid   22 and name  HB#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    5 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   27 and name   HG) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak   635 ! spec=13CMETHYL, no=635, id=859, vol=9.730000e+04
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   27 and name   HG)
    or (segid "   A" and resid   27 and name   HG) (segid "   C" and resid   28 and name  HB#)
    or (segid "   A" and resid   27 and name   HG) (segid "   C" and resid   43 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   27 and name   HG) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak   635 ! spec=13CMETHYL, no=635, id=859, vol=9.730000e+04
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   27 and name   HG)
    or (segid "   B" and resid   27 and name   HG) (segid "   D" and resid   28 and name  HB#)
    or (segid "   B" and resid   27 and name   HG) (segid "   D" and resid   43 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   27 and name   HG) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak   635 ! spec=13CMETHYL, no=635, id=859, vol=9.730000e+04
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   27 and name   HG)
    or (segid "   C" and resid   27 and name   HG) (segid "   A" and resid   28 and name  HB#)
    or (segid "   C" and resid   27 and name   HG) (segid "   A" and resid   43 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   27 and name   HG) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak   635 ! spec=13CMETHYL, no=635, id=859, vol=9.730000e+04
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   27 and name   HG)
    or (segid "   D" and resid   27 and name   HG) (segid "   B" and resid   28 and name  HB#)
    or (segid "   D" and resid   27 and name   HG) (segid "   B" and resid   43 and name  HB#)
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.656 2.656 3.344 weight 1.000 spectrum  3 peak   641 ! spec=13CMETHYL, no=641, id=860, vol=4.910000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid    4 and name HG2#)
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.656 2.656 3.344 weight 1.000 spectrum  3 peak   641 ! spec=13CMETHYL, no=641, id=860, vol=4.910000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid    4 and name HG2#)
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.656 2.656 3.344 weight 1.000 spectrum  3 peak   641 ! spec=13CMETHYL, no=641, id=860, vol=4.910000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid    4 and name HG2#)
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.656 2.656 3.344 weight 1.000 spectrum  3 peak   641 ! spec=13CMETHYL, no=641, id=860, vol=4.910000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid    4 and name HG2#)
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HG#) 1.898 0.450 0.450 weight 1.000 spectrum  3 peak   649 ! spec=13CMETHYL, no=649, id=865, vol=3.690000e+06
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HG#) 1.898 0.450 0.450 weight 1.000 spectrum  3 peak   649 ! spec=13CMETHYL, no=649, id=865, vol=3.690000e+06
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HG#) 1.898 0.450 0.450 weight 1.000 spectrum  3 peak   649 ! spec=13CMETHYL, no=649, id=865, vol=3.690000e+06
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HG#) 1.898 0.450 0.450 weight 1.000 spectrum  3 peak   649 ! spec=13CMETHYL, no=649, id=865, vol=3.690000e+06
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   22 and name  HB#) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak   650 ! spec=13CMETHYL, no=650, id=866, vol=1.550000e+05
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   21 and name  HB#)
    or (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   25 and name  HB#)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   28 and name  HB#)
    or (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   27 and name  HB#)
    or (segid "   A" and resid   27 and name  HB#) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   22 and name  HB#) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak   650 ! spec=13CMETHYL, no=650, id=866, vol=1.550000e+05
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   21 and name  HB#)
    or (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   25 and name  HB#)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   28 and name  HB#)
    or (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   27 and name  HB#)
    or (segid "   B" and resid   27 and name  HB#) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   22 and name  HB#) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak   650 ! spec=13CMETHYL, no=650, id=866, vol=1.550000e+05
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   21 and name  HB#)
    or (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   25 and name  HB#)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   28 and name  HB#)
    or (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   27 and name  HB#)
    or (segid "   C" and resid   27 and name  HB#) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   22 and name  HB#) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak   650 ! spec=13CMETHYL, no=650, id=866, vol=1.550000e+05
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   21 and name  HB#)
    or (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   25 and name  HB#)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   28 and name  HB#)
    or (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   27 and name  HB#)
    or (segid "   D" and resid   27 and name  HB#) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HB#) 2.621 0.859 0.859 weight 1.000 spectrum  3 peak   662 ! spec=13CMETHYL, no=662, id=871, vol=5.310000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HG#)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HB#) 2.621 0.859 0.859 weight 1.000 spectrum  3 peak   662 ! spec=13CMETHYL, no=662, id=871, vol=5.310000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HG#)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HB#) 2.621 0.859 0.859 weight 1.000 spectrum  3 peak   662 ! spec=13CMETHYL, no=662, id=871, vol=5.310000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HG#)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HB#) 2.621 0.859 0.859 weight 1.000 spectrum  3 peak   662 ! spec=13CMETHYL, no=662, id=871, vol=5.310000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HG#)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   666 ! spec=13CMETHYL, no=666, id=873, vol=1.270000e+05
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   43 and name  HB#)
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   666 ! spec=13CMETHYL, no=666, id=873, vol=1.270000e+05
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   43 and name  HB#)
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   666 ! spec=13CMETHYL, no=666, id=873, vol=1.270000e+05
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   43 and name  HB#)
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak   666 ! spec=13CMETHYL, no=666, id=873, vol=1.270000e+05
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   43 and name  HB#)
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   22 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   667 ! spec=13CMETHYL, no=667, id=874, vol=1.350000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   18 and name  HB#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   B" and resid    5 and name  HB#)
    or (segid "   A" and resid   18 and name  HB#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   22 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   667 ! spec=13CMETHYL, no=667, id=874, vol=1.350000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   18 and name  HB#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   A" and resid    5 and name  HB#)
    or (segid "   B" and resid   18 and name  HB#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   22 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   667 ! spec=13CMETHYL, no=667, id=874, vol=1.350000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   18 and name  HB#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   D" and resid    5 and name  HB#)
    or (segid "   C" and resid   18 and name  HB#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   22 and name  HB#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   667 ! spec=13CMETHYL, no=667, id=874, vol=1.350000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   18 and name  HB#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   C" and resid    5 and name  HB#)
    or (segid "   D" and resid   18 and name  HB#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   17 and name HD1#) (segid "   B" and resid   22 and name  HB#) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak   684 ! spec=13CMETHYL, no=684, id=883, vol=2.020000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   B" and resid   28 and name  HB#)
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   22 and name  HB#)
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   23 and name  HB#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   A" and resid   22 and name  HB#) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak   684 ! spec=13CMETHYL, no=684, id=883, vol=2.020000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   A" and resid   28 and name  HB#)
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   22 and name  HB#)
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   23 and name  HB#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   D" and resid   22 and name  HB#) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak   684 ! spec=13CMETHYL, no=684, id=883, vol=2.020000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   D" and resid   28 and name  HB#)
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   22 and name  HB#)
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   23 and name  HB#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   C" and resid   22 and name  HB#) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak   684 ! spec=13CMETHYL, no=684, id=883, vol=2.020000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   C" and resid   28 and name  HB#)
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   22 and name  HB#)
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   23 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name  HG#) 3.583 1.604 1.604 weight 1.000 spectrum  3 peak   685 ! spec=13CMETHYL, no=685, id=884, vol=8.150000e+04
    or (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name  HG#) 3.583 1.604 1.604 weight 1.000 spectrum  3 peak   685 ! spec=13CMETHYL, no=685, id=884, vol=8.150000e+04
    or (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name  HG#) 3.583 1.604 1.604 weight 1.000 spectrum  3 peak   685 ! spec=13CMETHYL, no=685, id=884, vol=8.150000e+04
    or (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name  HG#) 3.583 1.604 1.604 weight 1.000 spectrum  3 peak   685 ! spec=13CMETHYL, no=685, id=884, vol=8.150000e+04
    or (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  3 peak   688 ! spec=13CMETHYL, no=688, id=886, vol=2.710000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   29 and name  HB#)
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   36 and name   HB)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  3 peak   688 ! spec=13CMETHYL, no=688, id=886, vol=2.710000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   29 and name  HB#)
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   36 and name   HB)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  3 peak   688 ! spec=13CMETHYL, no=688, id=886, vol=2.710000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   29 and name  HB#)
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   36 and name   HB)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  3 peak   688 ! spec=13CMETHYL, no=688, id=886, vol=2.710000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   29 and name  HB#)
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   36 and name   HB)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   D" and resid   43 and name  HB#) 3.383 1.430 1.430 weight 1.000 spectrum  3 peak   697 ! spec=13CMETHYL, no=697, id=892, vol=1.150000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   19 and name  HB#)
    or (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   C" and resid   43 and name  HB#) 3.383 1.430 1.430 weight 1.000 spectrum  3 peak   697 ! spec=13CMETHYL, no=697, id=892, vol=1.150000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   19 and name  HB#)
    or (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   B" and resid   43 and name  HB#) 3.383 1.430 1.430 weight 1.000 spectrum  3 peak   697 ! spec=13CMETHYL, no=697, id=892, vol=1.150000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   19 and name  HB#)
    or (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   A" and resid   43 and name  HB#) 3.383 1.430 1.430 weight 1.000 spectrum  3 peak   697 ! spec=13CMETHYL, no=697, id=892, vol=1.150000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   19 and name  HB#)
    or (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   23 and name  HG#) 2.951 2.951 3.049 weight 1.000 spectrum  3 peak   700 ! spec=13CMETHYL, no=700, id=893, vol=2.610000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   D" and resid   47 and name  HB#)
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   36 and name   HB)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   23 and name  HG#) 2.951 2.951 3.049 weight 1.000 spectrum  3 peak   700 ! spec=13CMETHYL, no=700, id=893, vol=2.610000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   C" and resid   47 and name  HB#)
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   36 and name   HB)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   23 and name  HG#) 2.951 2.951 3.049 weight 1.000 spectrum  3 peak   700 ! spec=13CMETHYL, no=700, id=893, vol=2.610000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   B" and resid   47 and name  HB#)
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   36 and name   HB)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   23 and name  HG#) 2.951 2.951 3.049 weight 1.000 spectrum  3 peak   700 ! spec=13CMETHYL, no=700, id=893, vol=2.610000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   A" and resid   47 and name  HB#)
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   36 and name   HB)
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   36 and name   HB) 3.474 1.509 1.509 weight 1.000 spectrum  3 peak   707 ! spec=13CMETHYL, no=707, id=895, vol=9.800000e+04
    or (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   41 and name  HB#)
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   36 and name   HB) 3.474 1.509 1.509 weight 1.000 spectrum  3 peak   707 ! spec=13CMETHYL, no=707, id=895, vol=9.800000e+04
    or (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   41 and name  HB#)
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   36 and name   HB) 3.474 1.509 1.509 weight 1.000 spectrum  3 peak   707 ! spec=13CMETHYL, no=707, id=895, vol=9.800000e+04
    or (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   41 and name  HB#)
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   36 and name   HB) 3.474 1.509 1.509 weight 1.000 spectrum  3 peak   707 ! spec=13CMETHYL, no=707, id=895, vol=9.800000e+04
    or (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   41 and name  HB#)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   36 and name   HB) 3.306 3.306 2.694 weight 1.000 spectrum  3 peak   709 ! spec=13CMETHYL, no=709, id=896, vol=1.320000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   41 and name  HB#)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   36 and name   HB) 3.306 3.306 2.694 weight 1.000 spectrum  3 peak   709 ! spec=13CMETHYL, no=709, id=896, vol=1.320000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   41 and name  HB#)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   36 and name   HB) 3.306 3.306 2.694 weight 1.000 spectrum  3 peak   709 ! spec=13CMETHYL, no=709, id=896, vol=1.320000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   41 and name  HB#)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   36 and name   HB) 3.306 3.306 2.694 weight 1.000 spectrum  3 peak   709 ! spec=13CMETHYL, no=709, id=896, vol=1.320000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   41 and name  HB#)
assign (segid "   A" and resid   25 and name  HB#) (segid "   B" and resid   14 and name  HB#) 3.464 1.500 1.500 weight 1.000 spectrum  3 peak   711 ! spec=13CMETHYL, no=711, id=898, vol=9.980000e+04
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   26 and name  HB#)
assign (segid "   B" and resid   25 and name  HB#) (segid "   A" and resid   14 and name  HB#) 3.464 1.500 1.500 weight 1.000 spectrum  3 peak   711 ! spec=13CMETHYL, no=711, id=898, vol=9.980000e+04
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   26 and name  HB#)
assign (segid "   C" and resid   25 and name  HB#) (segid "   D" and resid   14 and name  HB#) 3.464 1.500 1.500 weight 1.000 spectrum  3 peak   711 ! spec=13CMETHYL, no=711, id=898, vol=9.980000e+04
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   26 and name  HB#)
assign (segid "   D" and resid   25 and name  HB#) (segid "   C" and resid   14 and name  HB#) 3.464 1.500 1.500 weight 1.000 spectrum  3 peak   711 ! spec=13CMETHYL, no=711, id=898, vol=9.980000e+04
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   26 and name  HB#)
assign (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   23 and name  HG#) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak   719 ! spec=13CMETHYL, no=719, id=903, vol=1.120000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   27 and name   HG)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   23 and name  HG#) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak   719 ! spec=13CMETHYL, no=719, id=903, vol=1.120000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   27 and name   HG)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   23 and name  HG#) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak   719 ! spec=13CMETHYL, no=719, id=903, vol=1.120000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   27 and name   HG)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   23 and name  HG#) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak   719 ! spec=13CMETHYL, no=719, id=903, vol=1.120000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   27 and name   HG)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   14 and name  HB#) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak   720 ! spec=13CMETHYL, no=720, id=904, vol=1.300000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   23 and name  HB#)
    or (segid "   A" and resid    7 and name   HG) (segid "   D" and resid   47 and name  HB#)
    or (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   14 and name  HB#)
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid   25 and name   HG) (segid "   B" and resid   14 and name  HB#)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   14 and name  HB#) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak   720 ! spec=13CMETHYL, no=720, id=904, vol=1.300000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   23 and name  HB#)
    or (segid "   B" and resid    7 and name   HG) (segid "   C" and resid   47 and name  HB#)
    or (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   14 and name  HB#)
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid   25 and name   HG) (segid "   A" and resid   14 and name  HB#)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   14 and name  HB#) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak   720 ! spec=13CMETHYL, no=720, id=904, vol=1.300000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   23 and name  HB#)
    or (segid "   C" and resid    7 and name   HG) (segid "   B" and resid   47 and name  HB#)
    or (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   14 and name  HB#)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid   25 and name   HG) (segid "   D" and resid   14 and name  HB#)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   14 and name  HB#) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak   720 ! spec=13CMETHYL, no=720, id=904, vol=1.300000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   23 and name  HB#)
    or (segid "   D" and resid    7 and name   HG) (segid "   A" and resid   47 and name  HB#)
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   14 and name  HB#)
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid   25 and name   HG) (segid "   C" and resid   14 and name  HB#)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name  HG#) 3.559 1.583 1.583 weight 1.000 spectrum  3 peak   722 ! spec=13CMETHYL, no=722, id=905, vol=8.480000e+04
    or (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   23 and name  HB#)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name  HG#) 3.559 1.583 1.583 weight 1.000 spectrum  3 peak   722 ! spec=13CMETHYL, no=722, id=905, vol=8.480000e+04
    or (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   23 and name  HB#)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name  HG#) 3.559 1.583 1.583 weight 1.000 spectrum  3 peak   722 ! spec=13CMETHYL, no=722, id=905, vol=8.480000e+04
    or (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   23 and name  HB#)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name  HG#) 3.559 1.583 1.583 weight 1.000 spectrum  3 peak   722 ! spec=13CMETHYL, no=722, id=905, vol=8.480000e+04
    or (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   23 and name  HB#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   26 and name  HB#) 3.506 1.536 1.536 weight 1.000 spectrum  3 peak   726 ! spec=13CMETHYL, no=726, id=906, vol=9.280000e+04
    or (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   26 and name  HB#) 3.506 1.536 1.536 weight 1.000 spectrum  3 peak   726 ! spec=13CMETHYL, no=726, id=906, vol=9.280000e+04
    or (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   26 and name  HB#) 3.506 1.536 1.536 weight 1.000 spectrum  3 peak   726 ! spec=13CMETHYL, no=726, id=906, vol=9.280000e+04
    or (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   26 and name  HB#) 3.506 1.536 1.536 weight 1.000 spectrum  3 peak   726 ! spec=13CMETHYL, no=726, id=906, vol=9.280000e+04
    or (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   22 and name  HG#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   728 ! spec=13CMETHYL, no=728, id=907, vol=1.350000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   22 and name  HG#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   728 ! spec=13CMETHYL, no=728, id=907, vol=1.350000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   22 and name  HG#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   728 ! spec=13CMETHYL, no=728, id=907, vol=1.350000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   22 and name  HG#) 3.294 1.356 1.356 weight 1.000 spectrum  3 peak   728 ! spec=13CMETHYL, no=728, id=907, vol=1.350000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   20 and name  HG#) (segid "   D" and resid   13 and name  HG#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak   729 ! spec=13CMETHYL, no=729, id=908, vol=1.770000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   C" and resid   13 and name  HG#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak   729 ! spec=13CMETHYL, no=729, id=908, vol=1.770000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   B" and resid   13 and name  HG#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak   729 ! spec=13CMETHYL, no=729, id=908, vol=1.770000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   A" and resid   13 and name  HG#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak   729 ! spec=13CMETHYL, no=729, id=908, vol=1.770000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   26 and name  HB#) 2.810 2.810 3.190 weight 1.000 spectrum  3 peak   731 ! spec=13CMETHYL, no=731, id=909, vol=3.500000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   14 and name  HB#)
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   42 and name  HB#)
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   26 and name  HB#) 2.810 2.810 3.190 weight 1.000 spectrum  3 peak   731 ! spec=13CMETHYL, no=731, id=909, vol=3.500000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   14 and name  HB#)
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   42 and name  HB#)
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   26 and name  HB#) 2.810 2.810 3.190 weight 1.000 spectrum  3 peak   731 ! spec=13CMETHYL, no=731, id=909, vol=3.500000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   14 and name  HB#)
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   42 and name  HB#)
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   26 and name  HB#) 2.810 2.810 3.190 weight 1.000 spectrum  3 peak   731 ! spec=13CMETHYL, no=731, id=909, vol=3.500000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   14 and name  HB#)
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   42 and name  HB#)
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   13 and name  HG#) 2.851 2.851 3.149 weight 1.000 spectrum  3 peak   732 ! spec=13CMETHYL, no=732, id=910, vol=3.210000e+05
    or (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   14 and name  HB#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   13 and name  HG#) 2.851 2.851 3.149 weight 1.000 spectrum  3 peak   732 ! spec=13CMETHYL, no=732, id=910, vol=3.210000e+05
    or (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   14 and name  HB#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   13 and name  HG#) 2.851 2.851 3.149 weight 1.000 spectrum  3 peak   732 ! spec=13CMETHYL, no=732, id=910, vol=3.210000e+05
    or (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   14 and name  HB#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   13 and name  HG#) 2.851 2.851 3.149 weight 1.000 spectrum  3 peak   732 ! spec=13CMETHYL, no=732, id=910, vol=3.210000e+05
    or (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   14 and name  HB#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   13 and name  HG#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak   740 ! spec=13CMETHYL, no=740, id=914, vol=2.340000e+05
    or (segid "   A" and resid   40 and name  HG#) (segid "   C" and resid   23 and name  HB#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   13 and name  HG#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak   740 ! spec=13CMETHYL, no=740, id=914, vol=2.340000e+05
    or (segid "   B" and resid   40 and name  HG#) (segid "   D" and resid   23 and name  HB#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   13 and name  HG#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak   740 ! spec=13CMETHYL, no=740, id=914, vol=2.340000e+05
    or (segid "   C" and resid   40 and name  HG#) (segid "   A" and resid   23 and name  HB#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   13 and name  HG#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak   740 ! spec=13CMETHYL, no=740, id=914, vol=2.340000e+05
    or (segid "   D" and resid   40 and name  HG#) (segid "   B" and resid   23 and name  HB#)
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HG#) 3.095 1.197 1.197 weight 1.000 spectrum  3 peak   749 ! spec=13CMETHYL, no=749, id=921, vol=1.960000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HG#) 3.095 1.197 1.197 weight 1.000 spectrum  3 peak   749 ! spec=13CMETHYL, no=749, id=921, vol=1.960000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HG#) 3.095 1.197 1.197 weight 1.000 spectrum  3 peak   749 ! spec=13CMETHYL, no=749, id=921, vol=1.960000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HG#) 3.095 1.197 1.197 weight 1.000 spectrum  3 peak   749 ! spec=13CMETHYL, no=749, id=921, vol=1.960000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HB#)
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   752 ! spec=13CMETHYL, no=752, id=924, vol=1.230000e+06
    or (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   752 ! spec=13CMETHYL, no=752, id=924, vol=1.230000e+06
    or (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   752 ! spec=13CMETHYL, no=752, id=924, vol=1.230000e+06
    or (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   752 ! spec=13CMETHYL, no=752, id=924, vol=1.230000e+06
    or (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name  HG#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   756 ! spec=13CMETHYL, no=756, id=927, vol=2.170000e+06
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name  HB#)
assign (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name  HG#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   756 ! spec=13CMETHYL, no=756, id=927, vol=2.170000e+06
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name  HB#)
assign (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name  HG#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   756 ! spec=13CMETHYL, no=756, id=927, vol=2.170000e+06
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name  HB#)
assign (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name  HG#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   756 ! spec=13CMETHYL, no=756, id=927, vol=2.170000e+06
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name  HB#)
assign (segid "   A" and resid   27 and name  HB#) (segid "   C" and resid   29 and name  HG#) 3.354 1.406 1.406 weight 1.000 spectrum  3 peak   757 ! spec=13CMETHYL, no=757, id=928, vol=1.210000e+05
    or (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name  HB#)
    or (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   27 and name  HB#)
assign (segid "   B" and resid   27 and name  HB#) (segid "   D" and resid   29 and name  HG#) 3.354 1.406 1.406 weight 1.000 spectrum  3 peak   757 ! spec=13CMETHYL, no=757, id=928, vol=1.210000e+05
    or (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name  HB#)
    or (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   27 and name  HB#)
assign (segid "   C" and resid   27 and name  HB#) (segid "   A" and resid   29 and name  HG#) 3.354 1.406 1.406 weight 1.000 spectrum  3 peak   757 ! spec=13CMETHYL, no=757, id=928, vol=1.210000e+05
    or (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name  HB#)
    or (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   27 and name  HB#)
assign (segid "   D" and resid   27 and name  HB#) (segid "   B" and resid   29 and name  HG#) 3.354 1.406 1.406 weight 1.000 spectrum  3 peak   757 ! spec=13CMETHYL, no=757, id=928, vol=1.210000e+05
    or (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name  HB#)
    or (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   27 and name  HB#)
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   760 ! spec=13CMETHYL, no=760, id=930, vol=1.850000e+06
    or (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   760 ! spec=13CMETHYL, no=760, id=930, vol=1.850000e+06
    or (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   760 ! spec=13CMETHYL, no=760, id=930, vol=1.850000e+06
    or (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   760 ! spec=13CMETHYL, no=760, id=930, vol=1.850000e+06
    or (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HG) 3.327 1.384 1.661 weight 1.000 spectrum  3 peak   762 ! spec=13CMETHYL, no=762, id=931, vol=1.270000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   34 and name  HB#)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HG) 3.327 1.384 1.661 weight 1.000 spectrum  3 peak   762 ! spec=13CMETHYL, no=762, id=931, vol=1.270000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   34 and name  HB#)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HG) 3.327 1.384 1.661 weight 1.000 spectrum  3 peak   762 ! spec=13CMETHYL, no=762, id=931, vol=1.270000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   34 and name  HB#)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HG) 3.327 1.384 1.661 weight 1.000 spectrum  3 peak   762 ! spec=13CMETHYL, no=762, id=931, vol=1.270000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   34 and name  HB#)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   41 and name  HG#) 3.483 3.483 2.517 weight 1.000 spectrum  3 peak   766 ! spec=13CMETHYL, no=766, id=933, vol=9.650000e+04
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   41 and name  HG#) 3.483 3.483 2.517 weight 1.000 spectrum  3 peak   766 ! spec=13CMETHYL, no=766, id=933, vol=9.650000e+04
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   41 and name  HG#) 3.483 3.483 2.517 weight 1.000 spectrum  3 peak   766 ! spec=13CMETHYL, no=766, id=933, vol=9.650000e+04
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   41 and name  HG#) 3.483 3.483 2.517 weight 1.000 spectrum  3 peak   766 ! spec=13CMETHYL, no=766, id=933, vol=9.650000e+04
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   23 and name  HG#) 2.405 0.723 0.723 weight 1.000 spectrum  3 peak   780 ! spec=13CMETHYL, no=780, id=940, vol=8.900000e+05
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   23 and name  HG#) 2.405 0.723 0.723 weight 1.000 spectrum  3 peak   780 ! spec=13CMETHYL, no=780, id=940, vol=8.900000e+05
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   23 and name  HG#) 2.405 0.723 0.723 weight 1.000 spectrum  3 peak   780 ! spec=13CMETHYL, no=780, id=940, vol=8.900000e+05
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   23 and name  HG#) 2.405 0.723 0.723 weight 1.000 spectrum  3 peak   780 ! spec=13CMETHYL, no=780, id=940, vol=8.900000e+05
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HG#) 2.055 0.528 0.528 weight 1.000 spectrum  3 peak   781 ! spec=13CMETHYL, no=781, id=941, vol=2.290000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HG#) 2.055 0.528 0.528 weight 1.000 spectrum  3 peak   781 ! spec=13CMETHYL, no=781, id=941, vol=2.290000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HG#) 2.055 0.528 0.528 weight 1.000 spectrum  3 peak   781 ! spec=13CMETHYL, no=781, id=941, vol=2.290000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HG#) 2.055 0.528 0.528 weight 1.000 spectrum  3 peak   781 ! spec=13CMETHYL, no=781, id=941, vol=2.290000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   23 and name  HG#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak   782 ! spec=13CMETHYL, no=782, id=942, vol=1.050000e+05
    or (segid "   A" and resid   27 and name   HG) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   23 and name  HG#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak   782 ! spec=13CMETHYL, no=782, id=942, vol=1.050000e+05
    or (segid "   B" and resid   27 and name   HG) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   23 and name  HG#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak   782 ! spec=13CMETHYL, no=782, id=942, vol=1.050000e+05
    or (segid "   C" and resid   27 and name   HG) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   23 and name  HG#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak   782 ! spec=13CMETHYL, no=782, id=942, vol=1.050000e+05
    or (segid "   D" and resid   27 and name   HG) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   43 and name  HG#) 2.980 2.980 3.020 weight 1.000 spectrum  3 peak   786 ! spec=13CMETHYL, no=786, id=943, vol=2.460000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   47 and name  HG#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   43 and name  HG#) 2.980 2.980 3.020 weight 1.000 spectrum  3 peak   786 ! spec=13CMETHYL, no=786, id=943, vol=2.460000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   47 and name  HG#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   43 and name  HG#) 2.980 2.980 3.020 weight 1.000 spectrum  3 peak   786 ! spec=13CMETHYL, no=786, id=943, vol=2.460000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   47 and name  HG#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   43 and name  HG#) 2.980 2.980 3.020 weight 1.000 spectrum  3 peak   786 ! spec=13CMETHYL, no=786, id=943, vol=2.460000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   47 and name  HG#)
assign (segid "   A" and resid   20 and name  HB#) (segid "   C" and resid   28 and name  HG#) 3.247 3.247 2.753 weight 1.000 spectrum  3 peak   795 ! spec=13CMETHYL, no=795, id=946, vol=1.470000e+05
    or (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   23 and name  HG#)
assign (segid "   B" and resid   20 and name  HB#) (segid "   D" and resid   28 and name  HG#) 3.247 3.247 2.753 weight 1.000 spectrum  3 peak   795 ! spec=13CMETHYL, no=795, id=946, vol=1.470000e+05
    or (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   23 and name  HG#)
assign (segid "   C" and resid   20 and name  HB#) (segid "   A" and resid   28 and name  HG#) 3.247 3.247 2.753 weight 1.000 spectrum  3 peak   795 ! spec=13CMETHYL, no=795, id=946, vol=1.470000e+05
    or (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   23 and name  HG#)
assign (segid "   D" and resid   20 and name  HB#) (segid "   B" and resid   28 and name  HG#) 3.247 3.247 2.753 weight 1.000 spectrum  3 peak   795 ! spec=13CMETHYL, no=795, id=946, vol=1.470000e+05
    or (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   23 and name  HG#)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HB#) 2.424 0.734 0.734 weight 1.000 spectrum  3 peak   800 ! spec=13CMETHYL, no=800, id=949, vol=8.500000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HB#) 2.424 0.734 0.734 weight 1.000 spectrum  3 peak   800 ! spec=13CMETHYL, no=800, id=949, vol=8.500000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HB#) 2.424 0.734 0.734 weight 1.000 spectrum  3 peak   800 ! spec=13CMETHYL, no=800, id=949, vol=8.500000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HB#) 2.424 0.734 0.734 weight 1.000 spectrum  3 peak   800 ! spec=13CMETHYL, no=800, id=949, vol=8.500000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   23 and name  HG#) 3.062 3.062 2.938 weight 1.000 spectrum  3 peak   801 ! spec=13CMETHYL, no=801, id=950, vol=2.090000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   D" and resid   43 and name  HG#)
    or (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   35 and name   HG)
    or (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   35 and name   HG)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   23 and name  HG#) 3.062 3.062 2.938 weight 1.000 spectrum  3 peak   801 ! spec=13CMETHYL, no=801, id=950, vol=2.090000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   C" and resid   43 and name  HG#)
    or (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   35 and name   HG)
    or (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   35 and name   HG)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   23 and name  HG#) 3.062 3.062 2.938 weight 1.000 spectrum  3 peak   801 ! spec=13CMETHYL, no=801, id=950, vol=2.090000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   B" and resid   43 and name  HG#)
    or (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   35 and name   HG)
    or (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   35 and name   HG)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   23 and name  HG#) 3.062 3.062 2.938 weight 1.000 spectrum  3 peak   801 ! spec=13CMETHYL, no=801, id=950, vol=2.090000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   A" and resid   43 and name  HG#)
    or (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   35 and name   HG)
    or (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   35 and name   HG)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   16 and name  HG#) 3.553 1.578 1.578 weight 1.000 spectrum  3 peak   806 ! spec=13CMETHYL, no=806, id=952, vol=8.570000e+04
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   16 and name  HG#) 3.553 1.578 1.578 weight 1.000 spectrum  3 peak   806 ! spec=13CMETHYL, no=806, id=952, vol=8.570000e+04
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   16 and name  HG#) 3.553 1.578 1.578 weight 1.000 spectrum  3 peak   806 ! spec=13CMETHYL, no=806, id=952, vol=8.570000e+04
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   16 and name  HG#) 3.553 1.578 1.578 weight 1.000 spectrum  3 peak   806 ! spec=13CMETHYL, no=806, id=952, vol=8.570000e+04
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.726 2.726 3.274 weight 1.000 spectrum  3 peak   810 ! spec=13CMETHYL, no=810, id=955, vol=4.200000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.726 2.726 3.274 weight 1.000 spectrum  3 peak   810 ! spec=13CMETHYL, no=810, id=955, vol=4.200000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.726 2.726 3.274 weight 1.000 spectrum  3 peak   810 ! spec=13CMETHYL, no=810, id=955, vol=4.200000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.726 2.726 3.274 weight 1.000 spectrum  3 peak   810 ! spec=13CMETHYL, no=810, id=955, vol=4.200000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG2#) 2.915 2.915 3.085 weight 1.000 spectrum  3 peak   851 ! spec=13CMETHYL, no=851, id=976, vol=2.810000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name  HE#)
assign (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG2#) 2.915 2.915 3.085 weight 1.000 spectrum  3 peak   851 ! spec=13CMETHYL, no=851, id=976, vol=2.810000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name  HE#)
assign (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG2#) 2.915 2.915 3.085 weight 1.000 spectrum  3 peak   851 ! spec=13CMETHYL, no=851, id=976, vol=2.810000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name  HE#)
assign (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG2#) 2.915 2.915 3.085 weight 1.000 spectrum  3 peak   851 ! spec=13CMETHYL, no=851, id=976, vol=2.810000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name  HE#)
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HE#) 2.053 0.527 0.527 weight 1.000 spectrum  3 peak   857 ! spec=13CMETHYL, no=857, id=981, vol=2.300000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HE#) 2.053 0.527 0.527 weight 1.000 spectrum  3 peak   857 ! spec=13CMETHYL, no=857, id=981, vol=2.300000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HE#) 2.053 0.527 0.527 weight 1.000 spectrum  3 peak   857 ! spec=13CMETHYL, no=857, id=981, vol=2.300000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HE#) 2.053 0.527 0.527 weight 1.000 spectrum  3 peak   857 ! spec=13CMETHYL, no=857, id=981, vol=2.300000e+06
assign (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HE#) 3.418 1.461 1.461 weight 1.000 spectrum  3 peak   861 ! spec=13CMETHYL, no=861, id=983, vol=1.080000e+05
assign (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HE#) 3.418 1.461 1.461 weight 1.000 spectrum  3 peak   861 ! spec=13CMETHYL, no=861, id=983, vol=1.080000e+05
assign (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HE#) 3.418 1.461 1.461 weight 1.000 spectrum  3 peak   861 ! spec=13CMETHYL, no=861, id=983, vol=1.080000e+05
assign (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HE#) 3.418 1.461 1.461 weight 1.000 spectrum  3 peak   861 ! spec=13CMETHYL, no=861, id=983, vol=1.080000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HE#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   864 ! spec=13CMETHYL, no=864, id=986, vol=4.950000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HE#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   864 ! spec=13CMETHYL, no=864, id=986, vol=4.950000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HE#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   864 ! spec=13CMETHYL, no=864, id=986, vol=4.950000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HE#) 2.652 0.879 0.879 weight 1.000 spectrum  3 peak   864 ! spec=13CMETHYL, no=864, id=986, vol=4.950000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HE#) 2.677 0.896 0.896 weight 1.000 spectrum  3 peak   865 ! spec=13CMETHYL, no=865, id=987, vol=4.680000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HE#) 2.677 0.896 0.896 weight 1.000 spectrum  3 peak   865 ! spec=13CMETHYL, no=865, id=987, vol=4.680000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HE#) 2.677 0.896 0.896 weight 1.000 spectrum  3 peak   865 ! spec=13CMETHYL, no=865, id=987, vol=4.680000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HE#) 2.677 0.896 0.896 weight 1.000 spectrum  3 peak   865 ! spec=13CMETHYL, no=865, id=987, vol=4.680000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name  HE#) 2.557 0.817 0.817 weight 1.000 spectrum  3 peak   866 ! spec=13CMETHYL, no=866, id=988, vol=6.160000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name  HE#) 2.557 0.817 0.817 weight 1.000 spectrum  3 peak   866 ! spec=13CMETHYL, no=866, id=988, vol=6.160000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name  HE#) 2.557 0.817 0.817 weight 1.000 spectrum  3 peak   866 ! spec=13CMETHYL, no=866, id=988, vol=6.160000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name  HE#) 2.557 0.817 0.817 weight 1.000 spectrum  3 peak   866 ! spec=13CMETHYL, no=866, id=988, vol=6.160000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   868 ! spec=13CMETHYL, no=868, id=990, vol=1.510000e+06
    or (segid "   A" and resid   20 and name  HE#) (segid "   A" and resid   20 and name  HE#)
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   868 ! spec=13CMETHYL, no=868, id=990, vol=1.510000e+06
    or (segid "   B" and resid   20 and name  HE#) (segid "   B" and resid   20 and name  HE#)
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   868 ! spec=13CMETHYL, no=868, id=990, vol=1.510000e+06
    or (segid "   C" and resid   20 and name  HE#) (segid "   C" and resid   20 and name  HE#)
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   868 ! spec=13CMETHYL, no=868, id=990, vol=1.510000e+06
    or (segid "   D" and resid   20 and name  HE#) (segid "   D" and resid   20 and name  HE#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   12 and name  HD#) 2.288 2.288 3.712 weight 1.000 spectrum  3 peak   883 ! spec=13CMETHYL, no=883, id=995, vol=1.200000e+06
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   22 and name  HE#)
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   22 and name  HE#)
    or (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid   22 and name  HE#)
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   12 and name  HD#) 2.288 2.288 3.712 weight 1.000 spectrum  3 peak   883 ! spec=13CMETHYL, no=883, id=995, vol=1.200000e+06
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   22 and name  HE#)
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   22 and name  HE#)
    or (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid   22 and name  HE#)
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   12 and name  HD#) 2.288 2.288 3.712 weight 1.000 spectrum  3 peak   883 ! spec=13CMETHYL, no=883, id=995, vol=1.200000e+06
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   22 and name  HE#)
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   22 and name  HE#)
    or (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid   22 and name  HE#)
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   12 and name  HD#) 2.288 2.288 3.712 weight 1.000 spectrum  3 peak   883 ! spec=13CMETHYL, no=883, id=995, vol=1.200000e+06
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   22 and name  HE#)
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   22 and name  HE#)
    or (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid   22 and name  HE#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   906 ! spec=13CMETHYL, no=906, id=1008, vol=2.180000e+06
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HB#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   906 ! spec=13CMETHYL, no=906, id=1008, vol=2.180000e+06
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HB#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   906 ! spec=13CMETHYL, no=906, id=1008, vol=2.180000e+06
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HB#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   906 ! spec=13CMETHYL, no=906, id=1008, vol=2.180000e+06
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HB#)
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   14 and name  HB#) 2.957 2.957 3.043 weight 1.000 spectrum  3 peak   911 ! spec=13CMETHYL, no=911, id=1010, vol=2.580000e+05
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    6 and name  HB#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   26 and name  HG#)
    or (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    6 and name  HB#)
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   14 and name  HB#) 2.957 2.957 3.043 weight 1.000 spectrum  3 peak   911 ! spec=13CMETHYL, no=911, id=1010, vol=2.580000e+05
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    6 and name  HB#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   26 and name  HG#)
    or (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    6 and name  HB#)
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   14 and name  HB#) 2.957 2.957 3.043 weight 1.000 spectrum  3 peak   911 ! spec=13CMETHYL, no=911, id=1010, vol=2.580000e+05
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    6 and name  HB#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   26 and name  HG#)
    or (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    6 and name  HB#)
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   14 and name  HB#) 2.957 2.957 3.043 weight 1.000 spectrum  3 peak   911 ! spec=13CMETHYL, no=911, id=1010, vol=2.580000e+05
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    6 and name  HB#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   26 and name  HG#)
    or (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    6 and name  HB#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   22 and name  HE#) 2.660 2.660 3.340 weight 1.000 spectrum  3 peak   933 ! spec=13CMETHYL, no=933, id=1025, vol=4.860000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name  HD#)
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   22 and name  HE#) 2.660 2.660 3.340 weight 1.000 spectrum  3 peak   933 ! spec=13CMETHYL, no=933, id=1025, vol=4.860000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name  HD#)
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   22 and name  HE#) 2.660 2.660 3.340 weight 1.000 spectrum  3 peak   933 ! spec=13CMETHYL, no=933, id=1025, vol=4.860000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name  HD#)
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   22 and name  HE#) 2.660 2.660 3.340 weight 1.000 spectrum  3 peak   933 ! spec=13CMETHYL, no=933, id=1025, vol=4.860000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name  HD#)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   16 and name   HA) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   957 ! spec=13CMETHYL, no=957, id=1039, vol=1.190000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   16 and name   HA)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   16 and name   HA) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   957 ! spec=13CMETHYL, no=957, id=1039, vol=1.190000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   16 and name   HA)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   16 and name   HA) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   957 ! spec=13CMETHYL, no=957, id=1039, vol=1.190000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   16 and name   HA)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   16 and name   HA) 3.364 3.364 2.636 weight 1.000 spectrum  3 peak   957 ! spec=13CMETHYL, no=957, id=1039, vol=1.190000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.803 0.982 0.982 weight 1.000 spectrum  3 peak   962 ! spec=13CMETHYL, no=962, id=1043, vol=3.550000e+05
    or (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.803 0.982 0.982 weight 1.000 spectrum  3 peak   962 ! spec=13CMETHYL, no=962, id=1043, vol=3.550000e+05
    or (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.803 0.982 0.982 weight 1.000 spectrum  3 peak   962 ! spec=13CMETHYL, no=962, id=1043, vol=3.550000e+05
    or (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.803 0.982 0.982 weight 1.000 spectrum  3 peak   962 ! spec=13CMETHYL, no=962, id=1043, vol=3.550000e+05
    or (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   16 and name   HA) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak   967 ! spec=13CMETHYL, no=967, id=1048, vol=7.820000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   16 and name   HA) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak   967 ! spec=13CMETHYL, no=967, id=1048, vol=7.820000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   16 and name   HA) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak   967 ! spec=13CMETHYL, no=967, id=1048, vol=7.820000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   16 and name   HA) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak   967 ! spec=13CMETHYL, no=967, id=1048, vol=7.820000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   16 and name   HA) 3.440 1.479 1.741 weight 1.000 spectrum  3 peak   970 ! spec=13CMETHYL, no=970, id=1051, vol=1.040000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   16 and name   HA)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   16 and name   HA) 3.440 1.479 1.741 weight 1.000 spectrum  3 peak   970 ! spec=13CMETHYL, no=970, id=1051, vol=1.040000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   16 and name   HA)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   16 and name   HA) 3.440 1.479 1.741 weight 1.000 spectrum  3 peak   970 ! spec=13CMETHYL, no=970, id=1051, vol=1.040000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   16 and name   HA)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   16 and name   HA) 3.440 1.479 1.741 weight 1.000 spectrum  3 peak   970 ! spec=13CMETHYL, no=970, id=1051, vol=1.040000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   16 and name   HA) 3.208 3.208 2.792 weight 1.000 spectrum  3 peak   978 ! spec=13CMETHYL, no=978, id=1053, vol=1.580000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   16 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   16 and name   HA) 3.208 3.208 2.792 weight 1.000 spectrum  3 peak   978 ! spec=13CMETHYL, no=978, id=1053, vol=1.580000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   16 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   16 and name   HA) 3.208 3.208 2.792 weight 1.000 spectrum  3 peak   978 ! spec=13CMETHYL, no=978, id=1053, vol=1.580000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   16 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   16 and name   HA) 3.208 3.208 2.792 weight 1.000 spectrum  3 peak   978 ! spec=13CMETHYL, no=978, id=1053, vol=1.580000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   16 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA) 2.404 0.722 0.722 weight 1.000 spectrum  3 peak   991 ! spec=13CMETHYL, no=991, id=1062, vol=8.930000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA) 2.404 0.722 0.722 weight 1.000 spectrum  3 peak   991 ! spec=13CMETHYL, no=991, id=1062, vol=8.930000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA) 2.404 0.722 0.722 weight 1.000 spectrum  3 peak   991 ! spec=13CMETHYL, no=991, id=1062, vol=8.930000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA) 2.404 0.722 0.722 weight 1.000 spectrum  3 peak   991 ! spec=13CMETHYL, no=991, id=1062, vol=8.930000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   24 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   995 ! spec=13CMETHYL, no=995, id=1066, vol=1.200000e+05
assign (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   24 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   995 ! spec=13CMETHYL, no=995, id=1066, vol=1.200000e+05
assign (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   24 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   995 ! spec=13CMETHYL, no=995, id=1066, vol=1.200000e+05
assign (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   24 and name  HB#) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak   995 ! spec=13CMETHYL, no=995, id=1066, vol=1.200000e+05
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA) 2.506 0.785 0.785 weight 1.000 spectrum  3 peak  1000 ! spec=13CMETHYL, no=1000, id=1071, vol=6.960000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA) 2.506 0.785 0.785 weight 1.000 spectrum  3 peak  1000 ! spec=13CMETHYL, no=1000, id=1071, vol=6.960000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name   HA) 2.506 0.785 0.785 weight 1.000 spectrum  3 peak  1000 ! spec=13CMETHYL, no=1000, id=1071, vol=6.960000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name   HA) 2.506 0.785 0.785 weight 1.000 spectrum  3 peak  1000 ! spec=13CMETHYL, no=1000, id=1071, vol=6.960000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   17 and name   HA) 2.692 2.692 3.308 weight 1.000 spectrum  3 peak  1001 ! spec=13CMETHYL, no=1001, id=1072, vol=4.530000e+05
    or (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   17 and name   HA) 2.692 2.692 3.308 weight 1.000 spectrum  3 peak  1001 ! spec=13CMETHYL, no=1001, id=1072, vol=4.530000e+05
    or (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   17 and name   HA) 2.692 2.692 3.308 weight 1.000 spectrum  3 peak  1001 ! spec=13CMETHYL, no=1001, id=1072, vol=4.530000e+05
    or (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   17 and name   HA) 2.692 2.692 3.308 weight 1.000 spectrum  3 peak  1001 ! spec=13CMETHYL, no=1001, id=1072, vol=4.530000e+05
    or (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name   HB) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1002 ! spec=13CMETHYL, no=1002, id=1073, vol=1.020000e+05
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   17 and name   HA)
    or (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name   HB) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1002 ! spec=13CMETHYL, no=1002, id=1073, vol=1.020000e+05
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   17 and name   HA)
    or (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name   HB) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1002 ! spec=13CMETHYL, no=1002, id=1073, vol=1.020000e+05
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   17 and name   HA)
    or (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name   HB) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1002 ! spec=13CMETHYL, no=1002, id=1073, vol=1.020000e+05
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   17 and name   HA)
    or (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name   HA) 3.067 3.067 2.933 weight 1.000 spectrum  3 peak  1003 ! spec=13CMETHYL, no=1003, id=1074, vol=2.070000e+05
    or (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name   HA) 3.067 3.067 2.933 weight 1.000 spectrum  3 peak  1003 ! spec=13CMETHYL, no=1003, id=1074, vol=2.070000e+05
    or (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name   HA) 3.067 3.067 2.933 weight 1.000 spectrum  3 peak  1003 ! spec=13CMETHYL, no=1003, id=1074, vol=2.070000e+05
    or (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name   HA) 3.067 3.067 2.933 weight 1.000 spectrum  3 peak  1003 ! spec=13CMETHYL, no=1003, id=1074, vol=2.070000e+05
    or (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   17 and name   HA) 2.010 0.505 0.616 weight 1.000 spectrum  3 peak  1006 ! spec=13CMETHYL, no=1006, id=1076, vol=2.610000e+06
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   17 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   17 and name   HA) 2.010 0.505 0.616 weight 1.000 spectrum  3 peak  1006 ! spec=13CMETHYL, no=1006, id=1076, vol=2.610000e+06
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   17 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   17 and name   HA) 2.010 0.505 0.616 weight 1.000 spectrum  3 peak  1006 ! spec=13CMETHYL, no=1006, id=1076, vol=2.610000e+06
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   17 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   17 and name   HA) 2.010 0.505 0.616 weight 1.000 spectrum  3 peak  1006 ! spec=13CMETHYL, no=1006, id=1076, vol=2.610000e+06
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   17 and name   HA)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   22 and name   HA) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1008 ! spec=13CMETHYL, no=1008, id=1077, vol=2.370000e+05
    or (segid "   A" and resid   18 and name   HG) (segid "   B" and resid   22 and name   HA)
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   22 and name   HA) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1008 ! spec=13CMETHYL, no=1008, id=1077, vol=2.370000e+05
    or (segid "   B" and resid   18 and name   HG) (segid "   A" and resid   22 and name   HA)
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   22 and name   HA) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1008 ! spec=13CMETHYL, no=1008, id=1077, vol=2.370000e+05
    or (segid "   C" and resid   18 and name   HG) (segid "   D" and resid   22 and name   HA)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   22 and name   HA) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1008 ! spec=13CMETHYL, no=1008, id=1077, vol=2.370000e+05
    or (segid "   D" and resid   18 and name   HG) (segid "   C" and resid   22 and name   HA)
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   22 and name   HA) 2.943 1.083 1.083 weight 1.000 spectrum  3 peak  1027 ! spec=13CMETHYL, no=1027, id=1088, vol=2.650000e+05
    or (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   18 and name   HA)
    or (segid "   A" and resid   18 and name   HG) (segid "   B" and resid   22 and name   HA)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   22 and name   HA) 2.943 1.083 1.083 weight 1.000 spectrum  3 peak  1027 ! spec=13CMETHYL, no=1027, id=1088, vol=2.650000e+05
    or (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   18 and name   HA)
    or (segid "   B" and resid   18 and name   HG) (segid "   A" and resid   22 and name   HA)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   22 and name   HA) 2.943 1.083 1.083 weight 1.000 spectrum  3 peak  1027 ! spec=13CMETHYL, no=1027, id=1088, vol=2.650000e+05
    or (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   18 and name   HA)
    or (segid "   C" and resid   18 and name   HG) (segid "   D" and resid   22 and name   HA)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   22 and name   HA) 2.943 1.083 1.083 weight 1.000 spectrum  3 peak  1027 ! spec=13CMETHYL, no=1027, id=1088, vol=2.650000e+05
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name   HA)
    or (segid "   D" and resid   18 and name   HG) (segid "   C" and resid   22 and name   HA)
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   40 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  3 peak  1040 ! spec=13CMETHYL, no=1040, id=1094, vol=9.310000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HD#)
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   40 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  3 peak  1040 ! spec=13CMETHYL, no=1040, id=1094, vol=9.310000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HD#)
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   40 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  3 peak  1040 ! spec=13CMETHYL, no=1040, id=1094, vol=9.310000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HD#)
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   40 and name   HA) 2.387 0.712 0.712 weight 1.000 spectrum  3 peak  1040 ! spec=13CMETHYL, no=1040, id=1094, vol=9.310000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HD#)
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.966 1.100 1.100 weight 1.000 spectrum  3 peak  1048 ! spec=13CMETHYL, no=1048, id=1099, vol=2.530000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   40 and name   HA)
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.966 1.100 1.100 weight 1.000 spectrum  3 peak  1048 ! spec=13CMETHYL, no=1048, id=1099, vol=2.530000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   40 and name   HA)
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.966 1.100 1.100 weight 1.000 spectrum  3 peak  1048 ! spec=13CMETHYL, no=1048, id=1099, vol=2.530000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   40 and name   HA)
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.966 1.100 1.100 weight 1.000 spectrum  3 peak  1048 ! spec=13CMETHYL, no=1048, id=1099, vol=2.530000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   40 and name   HA)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   27 and name   HA) 2.866 2.866 3.134 weight 1.000 spectrum  3 peak  1051 ! spec=13CMETHYL, no=1051, id=1102, vol=3.110000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   34 and name  HD#)
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   27 and name   HA) 2.866 2.866 3.134 weight 1.000 spectrum  3 peak  1051 ! spec=13CMETHYL, no=1051, id=1102, vol=3.110000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   34 and name  HD#)
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   27 and name   HA) 2.866 2.866 3.134 weight 1.000 spectrum  3 peak  1051 ! spec=13CMETHYL, no=1051, id=1102, vol=3.110000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   34 and name  HD#)
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   27 and name   HA) 2.866 2.866 3.134 weight 1.000 spectrum  3 peak  1051 ! spec=13CMETHYL, no=1051, id=1102, vol=3.110000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   34 and name  HD#)
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   11 and name  HA#) 2.166 2.166 3.834 weight 1.000 spectrum  3 peak  1054 ! spec=13CMETHYL, no=1054, id=1104, vol=1.670000e+06
    or (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   15 and name   HA)
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   11 and name  HA#) 2.166 2.166 3.834 weight 1.000 spectrum  3 peak  1054 ! spec=13CMETHYL, no=1054, id=1104, vol=1.670000e+06
    or (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   15 and name   HA)
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   11 and name  HA#) 2.166 2.166 3.834 weight 1.000 spectrum  3 peak  1054 ! spec=13CMETHYL, no=1054, id=1104, vol=1.670000e+06
    or (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   15 and name   HA)
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   11 and name  HA#) 2.166 2.166 3.834 weight 1.000 spectrum  3 peak  1054 ! spec=13CMETHYL, no=1054, id=1104, vol=1.670000e+06
    or (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   15 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.492 1.524 1.524 weight 1.000 spectrum  3 peak  1055 ! spec=13CMETHYL, no=1055, id=1105, vol=9.510000e+04
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.492 1.524 1.524 weight 1.000 spectrum  3 peak  1055 ! spec=13CMETHYL, no=1055, id=1105, vol=9.510000e+04
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.492 1.524 1.524 weight 1.000 spectrum  3 peak  1055 ! spec=13CMETHYL, no=1055, id=1105, vol=9.510000e+04
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.492 1.524 1.524 weight 1.000 spectrum  3 peak  1055 ! spec=13CMETHYL, no=1055, id=1105, vol=9.510000e+04
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1056 ! spec=13CMETHYL, no=1056, id=1106, vol=1.380000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name  HB#)
    or (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   28 and name   HA)
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1056 ! spec=13CMETHYL, no=1056, id=1106, vol=1.380000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name  HB#)
    or (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   28 and name   HA)
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1056 ! spec=13CMETHYL, no=1056, id=1106, vol=1.380000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name  HB#)
    or (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   28 and name   HA)
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1056 ! spec=13CMETHYL, no=1056, id=1106, vol=1.380000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name  HB#)
    or (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   28 and name   HA)
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1057 ! spec=13CMETHYL, no=1057, id=1107, vol=1.380000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1057 ! spec=13CMETHYL, no=1057, id=1107, vol=1.380000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1057 ! spec=13CMETHYL, no=1057, id=1107, vol=1.380000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.281 1.346 1.346 weight 1.000 spectrum  3 peak  1057 ! spec=13CMETHYL, no=1057, id=1107, vol=1.380000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.009 1.132 1.132 weight 1.000 spectrum  3 peak  1058 ! spec=13CMETHYL, no=1058, id=1108, vol=2.320000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   11 and name  HA#)
    or (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   28 and name   HA)
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.009 1.132 1.132 weight 1.000 spectrum  3 peak  1058 ! spec=13CMETHYL, no=1058, id=1108, vol=2.320000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   11 and name  HA#)
    or (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   28 and name   HA)
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.009 1.132 1.132 weight 1.000 spectrum  3 peak  1058 ! spec=13CMETHYL, no=1058, id=1108, vol=2.320000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   11 and name  HA#)
    or (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   28 and name   HA)
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.009 1.132 1.132 weight 1.000 spectrum  3 peak  1058 ! spec=13CMETHYL, no=1058, id=1108, vol=2.320000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   11 and name  HA#)
    or (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   28 and name   HA)
assign (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   24 and name  HB#) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1068 ! spec=13CMETHYL, no=1068, id=1118, vol=1.660000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   15 and name   HA)
    or (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   15 and name   HA)
assign (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   24 and name  HB#) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1068 ! spec=13CMETHYL, no=1068, id=1118, vol=1.660000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   15 and name   HA)
    or (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   15 and name   HA)
assign (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   24 and name  HB#) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1068 ! spec=13CMETHYL, no=1068, id=1118, vol=1.660000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   15 and name   HA)
    or (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   15 and name   HA)
assign (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   24 and name  HB#) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1068 ! spec=13CMETHYL, no=1068, id=1118, vol=1.660000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   15 and name   HA)
    or (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   15 and name   HA)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   11 and name  HA#) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1073 ! spec=13CMETHYL, no=1073, id=1119, vol=1.460000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   15 and name   HA)
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   15 and name   HA)
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   24 and name  HB#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   11 and name  HA#) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1073 ! spec=13CMETHYL, no=1073, id=1119, vol=1.460000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   15 and name   HA)
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   15 and name   HA)
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   24 and name  HB#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   11 and name  HA#) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1073 ! spec=13CMETHYL, no=1073, id=1119, vol=1.460000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   15 and name   HA)
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   15 and name   HA)
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   24 and name  HB#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   11 and name  HA#) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1073 ! spec=13CMETHYL, no=1073, id=1119, vol=1.460000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   15 and name   HA)
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   15 and name   HA)
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   24 and name  HB#)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   31 and name   HA) 3.418 3.418 2.582 weight 1.000 spectrum  3 peak  1075 ! spec=13CMETHYL, no=1075, id=1121, vol=1.080000e+05
    or (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   35 and name  HB#) (segid "   C" and resid   31 and name   HA)
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   31 and name   HA) 3.418 3.418 2.582 weight 1.000 spectrum  3 peak  1075 ! spec=13CMETHYL, no=1075, id=1121, vol=1.080000e+05
    or (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   33 and name   HA)
    or (segid "   B" and resid   35 and name  HB#) (segid "   D" and resid   31 and name   HA)
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   31 and name   HA) 3.418 3.418 2.582 weight 1.000 spectrum  3 peak  1075 ! spec=13CMETHYL, no=1075, id=1121, vol=1.080000e+05
    or (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   35 and name  HB#) (segid "   A" and resid   31 and name   HA)
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   31 and name   HA) 3.418 3.418 2.582 weight 1.000 spectrum  3 peak  1075 ! spec=13CMETHYL, no=1075, id=1121, vol=1.080000e+05
    or (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   33 and name   HA)
    or (segid "   D" and resid   35 and name  HB#) (segid "   B" and resid   31 and name   HA)
assign (segid "   A" and resid    7 and name   HG) (segid "   A" and resid   15 and name   HA) 3.466 1.502 2.191 weight 1.000 spectrum  3 peak  1082 ! spec=13CMETHYL, no=1082, id=1128, vol=9.940000e+04
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   15 and name   HA)
assign (segid "   B" and resid    7 and name   HG) (segid "   B" and resid   15 and name   HA) 3.466 1.502 2.191 weight 1.000 spectrum  3 peak  1082 ! spec=13CMETHYL, no=1082, id=1128, vol=9.940000e+04
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   15 and name   HA)
assign (segid "   C" and resid    7 and name   HG) (segid "   C" and resid   15 and name   HA) 3.466 1.502 2.191 weight 1.000 spectrum  3 peak  1082 ! spec=13CMETHYL, no=1082, id=1128, vol=9.940000e+04
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   15 and name   HA)
assign (segid "   D" and resid    7 and name   HG) (segid "   D" and resid   15 and name   HA) 3.466 1.502 2.191 weight 1.000 spectrum  3 peak  1082 ! spec=13CMETHYL, no=1082, id=1128, vol=9.940000e+04
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   15 and name   HA)
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HA) 2.393 2.393 3.607 weight 1.000 spectrum  3 peak  1091 ! spec=13CMETHYL, no=1091, id=1133, vol=9.170000e+05
    or (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   33 and name   HA)
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   33 and name   HA)
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HA) 2.393 2.393 3.607 weight 1.000 spectrum  3 peak  1091 ! spec=13CMETHYL, no=1091, id=1133, vol=9.170000e+05
    or (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   33 and name   HA)
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   33 and name   HA)
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HA) 2.393 2.393 3.607 weight 1.000 spectrum  3 peak  1091 ! spec=13CMETHYL, no=1091, id=1133, vol=9.170000e+05
    or (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   33 and name   HA)
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   33 and name   HA)
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HA) 2.393 2.393 3.607 weight 1.000 spectrum  3 peak  1091 ! spec=13CMETHYL, no=1091, id=1133, vol=9.170000e+05
    or (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   33 and name   HA)
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   33 and name   HA)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   11 and name  HA#) 2.719 2.719 3.281 weight 1.000 spectrum  3 peak  1093 ! spec=13CMETHYL, no=1093, id=1134, vol=4.260000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   31 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   28 and name   HA)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   11 and name  HA#) 2.719 2.719 3.281 weight 1.000 spectrum  3 peak  1093 ! spec=13CMETHYL, no=1093, id=1134, vol=4.260000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   28 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   31 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   28 and name   HA)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   11 and name  HA#) 2.719 2.719 3.281 weight 1.000 spectrum  3 peak  1093 ! spec=13CMETHYL, no=1093, id=1134, vol=4.260000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   31 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   28 and name   HA)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   11 and name  HA#) 2.719 2.719 3.281 weight 1.000 spectrum  3 peak  1093 ! spec=13CMETHYL, no=1093, id=1134, vol=4.260000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   28 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   31 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   28 and name   HA)
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   33 and name   HA) 2.485 2.485 3.515 weight 1.000 spectrum  3 peak  1097 ! spec=13CMETHYL, no=1097, id=1136, vol=7.320000e+05
    or (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   33 and name   HA) 2.485 2.485 3.515 weight 1.000 spectrum  3 peak  1097 ! spec=13CMETHYL, no=1097, id=1136, vol=7.320000e+05
    or (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   33 and name   HA) 2.485 2.485 3.515 weight 1.000 spectrum  3 peak  1097 ! spec=13CMETHYL, no=1097, id=1136, vol=7.320000e+05
    or (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   33 and name   HA) 2.485 2.485 3.515 weight 1.000 spectrum  3 peak  1097 ! spec=13CMETHYL, no=1097, id=1136, vol=7.320000e+05
    or (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   25 and name   HA) 3.157 3.157 2.843 weight 1.000 spectrum  3 peak  1104 ! spec=13CMETHYL, no=1104, id=1142, vol=1.740000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   25 and name   HA)
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   25 and name   HA) 3.157 3.157 2.843 weight 1.000 spectrum  3 peak  1104 ! spec=13CMETHYL, no=1104, id=1142, vol=1.740000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   25 and name   HA)
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   25 and name   HA) 3.157 3.157 2.843 weight 1.000 spectrum  3 peak  1104 ! spec=13CMETHYL, no=1104, id=1142, vol=1.740000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   25 and name   HA)
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   25 and name   HA) 3.157 3.157 2.843 weight 1.000 spectrum  3 peak  1104 ! spec=13CMETHYL, no=1104, id=1142, vol=1.740000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   25 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   13 and name   HA) 3.481 1.515 1.515 weight 1.000 spectrum  3 peak  1105 ! spec=13CMETHYL, no=1105, id=1143, vol=9.680000e+04
    or (segid "   A" and resid   17 and name HG1#) (segid "   B" and resid   25 and name   HA)
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   13 and name   HA)
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   43 and name   HA)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   13 and name   HA) 3.481 1.515 1.515 weight 1.000 spectrum  3 peak  1105 ! spec=13CMETHYL, no=1105, id=1143, vol=9.680000e+04
    or (segid "   B" and resid   17 and name HG1#) (segid "   A" and resid   25 and name   HA)
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   13 and name   HA)
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   43 and name   HA)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   13 and name   HA) 3.481 1.515 1.515 weight 1.000 spectrum  3 peak  1105 ! spec=13CMETHYL, no=1105, id=1143, vol=9.680000e+04
    or (segid "   C" and resid   17 and name HG1#) (segid "   D" and resid   25 and name   HA)
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   13 and name   HA)
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   43 and name   HA)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   13 and name   HA) 3.481 1.515 1.515 weight 1.000 spectrum  3 peak  1105 ! spec=13CMETHYL, no=1105, id=1143, vol=9.680000e+04
    or (segid "   D" and resid   17 and name HG1#) (segid "   C" and resid   25 and name   HA)
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   13 and name   HA)
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   43 and name   HA)
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA) 2.212 0.612 0.612 weight 1.000 spectrum  3 peak  1106 ! spec=13CMETHYL, no=1106, id=1144, vol=1.470000e+06
    or (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   13 and name   HA)
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA) 2.212 0.612 0.612 weight 1.000 spectrum  3 peak  1106 ! spec=13CMETHYL, no=1106, id=1144, vol=1.470000e+06
    or (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   13 and name   HA)
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA) 2.212 0.612 0.612 weight 1.000 spectrum  3 peak  1106 ! spec=13CMETHYL, no=1106, id=1144, vol=1.470000e+06
    or (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   13 and name   HA)
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA) 2.212 0.612 0.612 weight 1.000 spectrum  3 peak  1106 ! spec=13CMETHYL, no=1106, id=1144, vol=1.470000e+06
    or (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   13 and name   HA)
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   11 and name  HA#) 3.160 3.160 2.840 weight 1.000 spectrum  3 peak  1108 ! spec=13CMETHYL, no=1108, id=1146, vol=1.730000e+05
    or (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   13 and name   HA)
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   11 and name  HA#) 3.160 3.160 2.840 weight 1.000 spectrum  3 peak  1108 ! spec=13CMETHYL, no=1108, id=1146, vol=1.730000e+05
    or (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   13 and name   HA)
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   11 and name  HA#) 3.160 3.160 2.840 weight 1.000 spectrum  3 peak  1108 ! spec=13CMETHYL, no=1108, id=1146, vol=1.730000e+05
    or (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   13 and name   HA)
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   11 and name  HA#) 3.160 3.160 2.840 weight 1.000 spectrum  3 peak  1108 ! spec=13CMETHYL, no=1108, id=1146, vol=1.730000e+05
    or (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   13 and name   HA)
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   13 and name   HA) 3.077 3.077 2.923 weight 1.000 spectrum  3 peak  1109 ! spec=13CMETHYL, no=1109, id=1147, vol=2.030000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   B" and resid   25 and name   HA)
    or (segid "   A" and resid   17 and name HG2#) (segid "   C" and resid   25 and name   HA)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   13 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   13 and name   HA) 3.077 3.077 2.923 weight 1.000 spectrum  3 peak  1109 ! spec=13CMETHYL, no=1109, id=1147, vol=2.030000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   A" and resid   25 and name   HA)
    or (segid "   B" and resid   17 and name HG2#) (segid "   D" and resid   25 and name   HA)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   13 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   13 and name   HA) 3.077 3.077 2.923 weight 1.000 spectrum  3 peak  1109 ! spec=13CMETHYL, no=1109, id=1147, vol=2.030000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   D" and resid   25 and name   HA)
    or (segid "   C" and resid   17 and name HG2#) (segid "   A" and resid   25 and name   HA)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   13 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   13 and name   HA) 3.077 3.077 2.923 weight 1.000 spectrum  3 peak  1109 ! spec=13CMETHYL, no=1109, id=1147, vol=2.030000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   C" and resid   25 and name   HA)
    or (segid "   D" and resid   17 and name HG2#) (segid "   B" and resid   25 and name   HA)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   13 and name   HA) 3.095 1.197 1.309 weight 1.000 spectrum  3 peak  1110 ! spec=13CMETHYL, no=1110, id=1148, vol=1.960000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   B" and resid   25 and name   HA)
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   13 and name   HA) 3.095 1.197 1.309 weight 1.000 spectrum  3 peak  1110 ! spec=13CMETHYL, no=1110, id=1148, vol=1.960000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   A" and resid   25 and name   HA)
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   13 and name   HA) 3.095 1.197 1.309 weight 1.000 spectrum  3 peak  1110 ! spec=13CMETHYL, no=1110, id=1148, vol=1.960000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   D" and resid   25 and name   HA)
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   13 and name   HA) 3.095 1.197 1.309 weight 1.000 spectrum  3 peak  1110 ! spec=13CMETHYL, no=1110, id=1148, vol=1.960000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   C" and resid   25 and name   HA)
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   33 and name   HA) 3.572 1.595 1.595 weight 1.000 spectrum  3 peak  1113 ! spec=13CMETHYL, no=1113, id=1151, vol=8.300000e+04
    or (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   33 and name   HA) 3.572 1.595 1.595 weight 1.000 spectrum  3 peak  1113 ! spec=13CMETHYL, no=1113, id=1151, vol=8.300000e+04
    or (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   33 and name   HA) 3.572 1.595 1.595 weight 1.000 spectrum  3 peak  1113 ! spec=13CMETHYL, no=1113, id=1151, vol=8.300000e+04
    or (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   33 and name   HA) 3.572 1.595 1.595 weight 1.000 spectrum  3 peak  1113 ! spec=13CMETHYL, no=1113, id=1151, vol=8.300000e+04
    or (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name  HB#) 3.520 1.549 1.549 weight 1.000 spectrum  3 peak  1119 ! spec=13CMETHYL, no=1119, id=1154, vol=9.060000e+04
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name  HB#) 3.520 1.549 1.549 weight 1.000 spectrum  3 peak  1119 ! spec=13CMETHYL, no=1119, id=1154, vol=9.060000e+04
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name  HB#) 3.520 1.549 1.549 weight 1.000 spectrum  3 peak  1119 ! spec=13CMETHYL, no=1119, id=1154, vol=9.060000e+04
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name  HB#) 3.520 1.549 1.549 weight 1.000 spectrum  3 peak  1119 ! spec=13CMETHYL, no=1119, id=1154, vol=9.060000e+04
assign (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   26 and name   HA) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1130 ! spec=13CMETHYL, no=1130, id=1159, vol=3.290000e+05
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   26 and name   HA) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1130 ! spec=13CMETHYL, no=1130, id=1159, vol=3.290000e+05
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   26 and name   HA) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1130 ! spec=13CMETHYL, no=1130, id=1159, vol=3.290000e+05
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   26 and name   HA) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1130 ! spec=13CMETHYL, no=1130, id=1159, vol=3.290000e+05
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   19 and name   HA) 2.493 2.493 3.507 weight 1.000 spectrum  3 peak  1134 ! spec=13CMETHYL, no=1134, id=1163, vol=7.180000e+05
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   41 and name   HA)
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   19 and name   HA) 2.493 2.493 3.507 weight 1.000 spectrum  3 peak  1134 ! spec=13CMETHYL, no=1134, id=1163, vol=7.180000e+05
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   41 and name   HA)
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   19 and name   HA) 2.493 2.493 3.507 weight 1.000 spectrum  3 peak  1134 ! spec=13CMETHYL, no=1134, id=1163, vol=7.180000e+05
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   41 and name   HA)
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   19 and name   HA) 2.493 2.493 3.507 weight 1.000 spectrum  3 peak  1134 ! spec=13CMETHYL, no=1134, id=1163, vol=7.180000e+05
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   41 and name   HA)
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1139 ! spec=13CMETHYL, no=1139, id=1168, vol=1.050000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1139 ! spec=13CMETHYL, no=1139, id=1168, vol=1.050000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1139 ! spec=13CMETHYL, no=1139, id=1168, vol=1.050000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1139 ! spec=13CMETHYL, no=1139, id=1168, vol=1.050000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name   HA) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak  1151 ! spec=13CMETHYL, no=1151, id=1176, vol=2.020000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   19 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name   HA) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak  1151 ! spec=13CMETHYL, no=1151, id=1176, vol=2.020000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   20 and name   HA)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   19 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name   HA) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak  1151 ! spec=13CMETHYL, no=1151, id=1176, vol=2.020000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   20 and name   HA)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   19 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name   HA) 3.080 3.080 2.920 weight 1.000 spectrum  3 peak  1151 ! spec=13CMETHYL, no=1151, id=1176, vol=2.020000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   20 and name   HA)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   19 and name   HA)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1152 ! spec=13CMETHYL, no=1152, id=1177, vol=1.250000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   26 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1152 ! spec=13CMETHYL, no=1152, id=1177, vol=1.250000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   26 and name   HA)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   26 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1152 ! spec=13CMETHYL, no=1152, id=1177, vol=1.250000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   26 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1152 ! spec=13CMETHYL, no=1152, id=1177, vol=1.250000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   26 and name   HA)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   26 and name   HA)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak  1158 ! spec=13CMETHYL, no=1158, id=1183, vol=1.710000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   26 and name   HA)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   24 and name   HA)
    or (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   26 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak  1158 ! spec=13CMETHYL, no=1158, id=1183, vol=1.710000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   26 and name   HA)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   24 and name   HA)
    or (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   26 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak  1158 ! spec=13CMETHYL, no=1158, id=1183, vol=1.710000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   26 and name   HA)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   24 and name   HA)
    or (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   26 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA) 3.166 1.253 1.253 weight 1.000 spectrum  3 peak  1158 ! spec=13CMETHYL, no=1158, id=1183, vol=1.710000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   26 and name   HA)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   24 and name   HA)
    or (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   26 and name   HA)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   19 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1159 ! spec=13CMETHYL, no=1159, id=1184, vol=1.050000e+05
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   19 and name   HA)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   20 and name   HA)
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   24 and name   HA)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   19 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1159 ! spec=13CMETHYL, no=1159, id=1184, vol=1.050000e+05
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   19 and name   HA)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   20 and name   HA)
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   24 and name   HA)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   19 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1159 ! spec=13CMETHYL, no=1159, id=1184, vol=1.050000e+05
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   19 and name   HA)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   20 and name   HA)
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   24 and name   HA)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   19 and name   HA) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1159 ! spec=13CMETHYL, no=1159, id=1184, vol=1.050000e+05
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   19 and name   HA)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   20 and name   HA)
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   24 and name   HA)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   24 and name   HA) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1161 ! spec=13CMETHYL, no=1161, id=1186, vol=2.270000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   24 and name   HA)
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   24 and name   HA) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1161 ! spec=13CMETHYL, no=1161, id=1186, vol=2.270000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   29 and name   HA)
    or (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   24 and name   HA)
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   24 and name   HA) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1161 ! spec=13CMETHYL, no=1161, id=1186, vol=2.270000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   24 and name   HA)
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   24 and name   HA) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1161 ! spec=13CMETHYL, no=1161, id=1186, vol=2.270000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   29 and name   HA)
    or (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   24 and name   HA)
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   24 and name   HA) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1162 ! spec=13CMETHYL, no=1162, id=1187, vol=2.110000e+05
    or (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   24 and name   HA)
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   24 and name   HA) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1162 ! spec=13CMETHYL, no=1162, id=1187, vol=2.110000e+05
    or (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   29 and name   HA)
    or (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   24 and name   HA)
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   24 and name   HA) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1162 ! spec=13CMETHYL, no=1162, id=1187, vol=2.110000e+05
    or (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   24 and name   HA)
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   24 and name   HA) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1162 ! spec=13CMETHYL, no=1162, id=1187, vol=2.110000e+05
    or (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   29 and name   HA)
    or (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   24 and name   HA)
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   29 and name   HA) 3.398 1.443 3.100 weight 1.000 spectrum  3 peak  1171 ! spec=13CMETHYL, no=1171, id=1194, vol=1.120000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   29 and name   HA)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   48 and name   HA)
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   29 and name   HA) 3.398 1.443 3.100 weight 1.000 spectrum  3 peak  1171 ! spec=13CMETHYL, no=1171, id=1194, vol=1.120000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   29 and name   HA)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   48 and name   HA)
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   29 and name   HA) 3.398 1.443 3.100 weight 1.000 spectrum  3 peak  1171 ! spec=13CMETHYL, no=1171, id=1194, vol=1.120000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   29 and name   HA)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   48 and name   HA)
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   29 and name   HA) 3.398 1.443 3.100 weight 1.000 spectrum  3 peak  1171 ! spec=13CMETHYL, no=1171, id=1194, vol=1.120000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   29 and name   HA)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   48 and name   HA)
assign (segid "   A" and resid   19 and name  HG#) (segid "   C" and resid   44 and name   HA) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1174 ! spec=13CMETHYL, no=1174, id=1197, vol=1.850000e+05
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name  HD#)
assign (segid "   B" and resid   19 and name  HG#) (segid "   D" and resid   44 and name   HA) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1174 ! spec=13CMETHYL, no=1174, id=1197, vol=1.850000e+05
    or (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   29 and name   HA)
    or (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   32 and name  HD#)
assign (segid "   C" and resid   19 and name  HG#) (segid "   A" and resid   44 and name   HA) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1174 ! spec=13CMETHYL, no=1174, id=1197, vol=1.850000e+05
    or (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   32 and name  HD#)
assign (segid "   D" and resid   19 and name  HG#) (segid "   B" and resid   44 and name   HA) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1174 ! spec=13CMETHYL, no=1174, id=1197, vol=1.850000e+05
    or (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   29 and name   HA)
    or (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   32 and name  HD#)
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name   HA) 2.543 0.808 0.808 weight 1.000 spectrum  3 peak  1175 ! spec=13CMETHYL, no=1175, id=1198, vol=6.370000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   D" and resid   48 and name   HA)
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name   HA) 2.543 0.808 0.808 weight 1.000 spectrum  3 peak  1175 ! spec=13CMETHYL, no=1175, id=1198, vol=6.370000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   C" and resid   48 and name   HA)
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name   HA) 2.543 0.808 0.808 weight 1.000 spectrum  3 peak  1175 ! spec=13CMETHYL, no=1175, id=1198, vol=6.370000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   B" and resid   48 and name   HA)
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name   HA) 2.543 0.808 0.808 weight 1.000 spectrum  3 peak  1175 ! spec=13CMETHYL, no=1175, id=1198, vol=6.370000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   A" and resid   48 and name   HA)
assign (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   24 and name   HA) 3.274 1.340 1.466 weight 1.000 spectrum  3 peak  1181 ! spec=13CMETHYL, no=1181, id=1203, vol=1.400000e+05
    or (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   24 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   29 and name   HA)
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   29 and name   HA)
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   44 and name   HA)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   44 and name   HA)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   48 and name   HA)
assign (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   24 and name   HA) 3.274 1.340 1.466 weight 1.000 spectrum  3 peak  1181 ! spec=13CMETHYL, no=1181, id=1203, vol=1.400000e+05
    or (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   24 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   29 and name   HA)
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   29 and name   HA)
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   44 and name   HA)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   44 and name   HA)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   48 and name   HA)
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   24 and name   HA) 3.274 1.340 1.466 weight 1.000 spectrum  3 peak  1181 ! spec=13CMETHYL, no=1181, id=1203, vol=1.400000e+05
    or (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   24 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   29 and name   HA)
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   29 and name   HA)
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   44 and name   HA)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   44 and name   HA)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   48 and name   HA)
assign (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   24 and name   HA) 3.274 1.340 1.466 weight 1.000 spectrum  3 peak  1181 ! spec=13CMETHYL, no=1181, id=1203, vol=1.400000e+05
    or (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   24 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   29 and name   HA)
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   29 and name   HA)
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   44 and name   HA)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   44 and name   HA)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   48 and name   HA)
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1187 ! spec=13CMETHYL, no=1187, id=1205, vol=1.530000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1187 ! spec=13CMETHYL, no=1187, id=1205, vol=1.530000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1187 ! spec=13CMETHYL, no=1187, id=1205, vol=1.530000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1187 ! spec=13CMETHYL, no=1187, id=1205, vol=1.530000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   24 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1191 ! spec=13CMETHYL, no=1191, id=1209, vol=1.190000e+05
    or (segid "   A" and resid   27 and name  HB#) (segid "   C" and resid   29 and name   HA)
assign (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   24 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1191 ! spec=13CMETHYL, no=1191, id=1209, vol=1.190000e+05
    or (segid "   B" and resid   27 and name  HB#) (segid "   D" and resid   29 and name   HA)
assign (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   24 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1191 ! spec=13CMETHYL, no=1191, id=1209, vol=1.190000e+05
    or (segid "   C" and resid   27 and name  HB#) (segid "   A" and resid   29 and name   HA)
assign (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   24 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1191 ! spec=13CMETHYL, no=1191, id=1209, vol=1.190000e+05
    or (segid "   D" and resid   27 and name  HB#) (segid "   B" and resid   29 and name   HA)
assign (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   44 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  3 peak  1192 ! spec=13CMETHYL, no=1192, id=1210, vol=1.140000e+05
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   48 and name   HA)
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   44 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  3 peak  1192 ! spec=13CMETHYL, no=1192, id=1210, vol=1.140000e+05
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   48 and name   HA)
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   44 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  3 peak  1192 ! spec=13CMETHYL, no=1192, id=1210, vol=1.140000e+05
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   48 and name   HA)
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   44 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  3 peak  1192 ! spec=13CMETHYL, no=1192, id=1210, vol=1.140000e+05
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   48 and name   HA)
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   21 and name   HA) 2.923 1.068 1.068 weight 1.000 spectrum  3 peak  1208 ! spec=13CMETHYL, no=1208, id=1220, vol=2.760000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   21 and name   HA) 2.923 1.068 1.068 weight 1.000 spectrum  3 peak  1208 ! spec=13CMETHYL, no=1208, id=1220, vol=2.760000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   21 and name   HA)
assign (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   21 and name   HA) 2.923 1.068 1.068 weight 1.000 spectrum  3 peak  1208 ! spec=13CMETHYL, no=1208, id=1220, vol=2.760000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   21 and name   HA)
assign (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   21 and name   HA) 2.923 1.068 1.068 weight 1.000 spectrum  3 peak  1208 ! spec=13CMETHYL, no=1208, id=1220, vol=2.760000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   21 and name   HA)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   21 and name   HA) 2.789 2.789 3.211 weight 1.000 spectrum  3 peak  1211 ! spec=13CMETHYL, no=1211, id=1223, vol=3.660000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   38 and name   HA)
    or (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name   HA)
    or (segid "   A" and resid   16 and name  HG#) (segid "   B" and resid    2 and name   HA)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   21 and name   HA) 2.789 2.789 3.211 weight 1.000 spectrum  3 peak  1211 ! spec=13CMETHYL, no=1211, id=1223, vol=3.660000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   38 and name   HA)
    or (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name   HA)
    or (segid "   B" and resid   16 and name  HG#) (segid "   A" and resid    2 and name   HA)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   21 and name   HA) 2.789 2.789 3.211 weight 1.000 spectrum  3 peak  1211 ! spec=13CMETHYL, no=1211, id=1223, vol=3.660000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   38 and name   HA)
    or (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name   HA)
    or (segid "   C" and resid   16 and name  HG#) (segid "   D" and resid    2 and name   HA)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   21 and name   HA) 2.789 2.789 3.211 weight 1.000 spectrum  3 peak  1211 ! spec=13CMETHYL, no=1211, id=1223, vol=3.660000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   38 and name   HA)
    or (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name   HA)
    or (segid "   D" and resid   16 and name  HG#) (segid "   C" and resid    2 and name   HA)
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   21 and name   HA) 2.557 2.557 3.443 weight 1.000 spectrum  3 peak  1213 ! spec=13CMETHYL, no=1213, id=1224, vol=6.160000e+05
    or (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   39 and name   HA)
    or (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   21 and name   HA)
    or (segid "   A" and resid   26 and name  HB#) (segid "   C" and resid   21 and name   HA)
    or (segid "   A" and resid   26 and name  HB#) (segid "   C" and resid   39 and name   HA)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   45 and name   HA)
    or (segid "   A" and resid   47 and name  HB#) (segid "   D" and resid    5 and name   HA)
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   21 and name   HA) 2.557 2.557 3.443 weight 1.000 spectrum  3 peak  1213 ! spec=13CMETHYL, no=1213, id=1224, vol=6.160000e+05
    or (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   39 and name   HA)
    or (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   21 and name   HA)
    or (segid "   B" and resid   26 and name  HB#) (segid "   D" and resid   21 and name   HA)
    or (segid "   B" and resid   26 and name  HB#) (segid "   D" and resid   39 and name   HA)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   45 and name   HA)
    or (segid "   B" and resid   47 and name  HB#) (segid "   C" and resid    5 and name   HA)
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   21 and name   HA) 2.557 2.557 3.443 weight 1.000 spectrum  3 peak  1213 ! spec=13CMETHYL, no=1213, id=1224, vol=6.160000e+05
    or (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   39 and name   HA)
    or (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   21 and name   HA)
    or (segid "   C" and resid   26 and name  HB#) (segid "   A" and resid   21 and name   HA)
    or (segid "   C" and resid   26 and name  HB#) (segid "   A" and resid   39 and name   HA)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   45 and name   HA)
    or (segid "   C" and resid   47 and name  HB#) (segid "   B" and resid    5 and name   HA)
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   21 and name   HA) 2.557 2.557 3.443 weight 1.000 spectrum  3 peak  1213 ! spec=13CMETHYL, no=1213, id=1224, vol=6.160000e+05
    or (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   39 and name   HA)
    or (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   21 and name   HA)
    or (segid "   D" and resid   26 and name  HB#) (segid "   B" and resid   21 and name   HA)
    or (segid "   D" and resid   26 and name  HB#) (segid "   B" and resid   39 and name   HA)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   45 and name   HA)
    or (segid "   D" and resid   47 and name  HB#) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   21 and name   HA) 3.270 3.270 2.730 weight 1.000 spectrum  3 peak  1215 ! spec=13CMETHYL, no=1215, id=1225, vol=1.410000e+05
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid    5 and name   HA)
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   21 and name   HA) 3.270 3.270 2.730 weight 1.000 spectrum  3 peak  1215 ! spec=13CMETHYL, no=1215, id=1225, vol=1.410000e+05
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid    5 and name   HA)
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   21 and name   HA)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   21 and name   HA) 3.270 3.270 2.730 weight 1.000 spectrum  3 peak  1215 ! spec=13CMETHYL, no=1215, id=1225, vol=1.410000e+05
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid    5 and name   HA)
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   21 and name   HA)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   21 and name   HA) 3.270 3.270 2.730 weight 1.000 spectrum  3 peak  1215 ! spec=13CMETHYL, no=1215, id=1225, vol=1.410000e+05
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid    5 and name   HA)
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   21 and name   HA)
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   21 and name   HA) 2.858 2.858 3.472 weight 1.000 spectrum  3 peak  1225 ! spec=13CMETHYL, no=1225, id=1233, vol=3.160000e+05
    or (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name   HA)
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   21 and name   HA) 2.858 2.858 3.472 weight 1.000 spectrum  3 peak  1225 ! spec=13CMETHYL, no=1225, id=1233, vol=3.160000e+05
    or (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name   HA)
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   21 and name   HA) 2.858 2.858 3.472 weight 1.000 spectrum  3 peak  1225 ! spec=13CMETHYL, no=1225, id=1233, vol=3.160000e+05
    or (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name   HA)
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   21 and name   HA) 2.858 2.858 3.472 weight 1.000 spectrum  3 peak  1225 ! spec=13CMETHYL, no=1225, id=1233, vol=3.160000e+05
    or (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name   HA)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   21 and name   HA) 3.475 1.510 1.962 weight 1.000 spectrum  3 peak  1227 ! spec=13CMETHYL, no=1227, id=1235, vol=9.780000e+04
    or (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   23 and name   HA)
    or (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   31 and name   HB) (segid "   C" and resid   30 and name   HA)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   21 and name   HA) 3.475 1.510 1.962 weight 1.000 spectrum  3 peak  1227 ! spec=13CMETHYL, no=1227, id=1235, vol=9.780000e+04
    or (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   23 and name   HA)
    or (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   30 and name   HA)
    or (segid "   B" and resid   31 and name   HB) (segid "   D" and resid   30 and name   HA)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   21 and name   HA) 3.475 1.510 1.962 weight 1.000 spectrum  3 peak  1227 ! spec=13CMETHYL, no=1227, id=1235, vol=9.780000e+04
    or (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   23 and name   HA)
    or (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   30 and name   HA)
    or (segid "   C" and resid   31 and name   HB) (segid "   A" and resid   30 and name   HA)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   21 and name   HA) 3.475 1.510 1.962 weight 1.000 spectrum  3 peak  1227 ! spec=13CMETHYL, no=1227, id=1235, vol=9.780000e+04
    or (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   23 and name   HA)
    or (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   30 and name   HA)
    or (segid "   D" and resid   31 and name   HB) (segid "   B" and resid   30 and name   HA)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    5 and name   HA) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1228 ! spec=13CMETHYL, no=1228, id=1236, vol=1.240000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   35 and name   HA)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    5 and name   HA) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1228 ! spec=13CMETHYL, no=1228, id=1236, vol=1.240000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   35 and name   HA)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    5 and name   HA) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1228 ! spec=13CMETHYL, no=1228, id=1236, vol=1.240000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   35 and name   HA)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    5 and name   HA) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1228 ! spec=13CMETHYL, no=1228, id=1236, vol=1.240000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   35 and name   HA)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    2 and name   HA) 3.038 3.038 2.962 weight 1.000 spectrum  3 peak  1232 ! spec=13CMETHYL, no=1232, id=1240, vol=2.190000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    5 and name   HA)
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid   23 and name   HA)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    2 and name   HA) 3.038 3.038 2.962 weight 1.000 spectrum  3 peak  1232 ! spec=13CMETHYL, no=1232, id=1240, vol=2.190000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    5 and name   HA)
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid   23 and name   HA)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    2 and name   HA) 3.038 3.038 2.962 weight 1.000 spectrum  3 peak  1232 ! spec=13CMETHYL, no=1232, id=1240, vol=2.190000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    5 and name   HA)
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid   23 and name   HA)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    2 and name   HA) 3.038 3.038 2.962 weight 1.000 spectrum  3 peak  1232 ! spec=13CMETHYL, no=1232, id=1240, vol=2.190000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    5 and name   HA)
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid   23 and name   HA)
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   21 and name   HA) 2.918 1.064 1.064 weight 1.000 spectrum  3 peak  1233 ! spec=13CMETHYL, no=1233, id=1241, vol=2.790000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   21 and name   HA) 2.918 1.064 1.064 weight 1.000 spectrum  3 peak  1233 ! spec=13CMETHYL, no=1233, id=1241, vol=2.790000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   21 and name   HA) 2.918 1.064 1.064 weight 1.000 spectrum  3 peak  1233 ! spec=13CMETHYL, no=1233, id=1241, vol=2.790000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   21 and name   HA) 2.918 1.064 1.064 weight 1.000 spectrum  3 peak  1233 ! spec=13CMETHYL, no=1233, id=1241, vol=2.790000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   21 and name   HA) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1234 ! spec=13CMETHYL, no=1234, id=1242, vol=7.700000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA)
    or (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   45 and name   HA)
assign (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   21 and name   HA) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1234 ! spec=13CMETHYL, no=1234, id=1242, vol=7.700000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   30 and name   HA)
    or (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   45 and name   HA)
assign (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   21 and name   HA) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1234 ! spec=13CMETHYL, no=1234, id=1242, vol=7.700000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   30 and name   HA)
    or (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   45 and name   HA)
assign (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   21 and name   HA) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1234 ! spec=13CMETHYL, no=1234, id=1242, vol=7.700000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   30 and name   HA)
    or (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   45 and name   HA)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak  1241 ! spec=13CMETHYL, no=1241, id=1244, vol=1.200000e+06
    or (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak  1241 ! spec=13CMETHYL, no=1241, id=1244, vol=1.200000e+06
    or (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak  1241 ! spec=13CMETHYL, no=1241, id=1244, vol=1.200000e+06
    or (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak  1241 ! spec=13CMETHYL, no=1241, id=1244, vol=1.200000e+06
    or (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   34 and name  HD#) 3.298 1.359 1.597 weight 1.000 spectrum  3 peak  1245 ! spec=13CMETHYL, no=1245, id=1246, vol=1.340000e+05
    or (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   36 and name   HA)
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   34 and name  HD#) 3.298 1.359 1.597 weight 1.000 spectrum  3 peak  1245 ! spec=13CMETHYL, no=1245, id=1246, vol=1.340000e+05
    or (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   36 and name   HA)
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   34 and name  HD#) 3.298 1.359 1.597 weight 1.000 spectrum  3 peak  1245 ! spec=13CMETHYL, no=1245, id=1246, vol=1.340000e+05
    or (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   36 and name   HA)
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   34 and name  HD#) 3.298 1.359 1.597 weight 1.000 spectrum  3 peak  1245 ! spec=13CMETHYL, no=1245, id=1246, vol=1.340000e+05
    or (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   36 and name   HA)
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   37 and name   HA) 2.465 0.760 0.760 weight 1.000 spectrum  3 peak  1251 ! spec=13CMETHYL, no=1251, id=1250, vol=7.680000e+05
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   37 and name   HA) 2.465 0.760 0.760 weight 1.000 spectrum  3 peak  1251 ! spec=13CMETHYL, no=1251, id=1250, vol=7.680000e+05
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   37 and name   HA) 2.465 0.760 0.760 weight 1.000 spectrum  3 peak  1251 ! spec=13CMETHYL, no=1251, id=1250, vol=7.680000e+05
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   37 and name   HA) 2.465 0.760 0.760 weight 1.000 spectrum  3 peak  1251 ! spec=13CMETHYL, no=1251, id=1250, vol=7.680000e+05
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   46 and name   HA) 2.836 2.836 3.164 weight 1.000 spectrum  3 peak  1260 ! spec=13CMETHYL, no=1260, id=1259, vol=3.310000e+05
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   46 and name   HA) 2.836 2.836 3.164 weight 1.000 spectrum  3 peak  1260 ! spec=13CMETHYL, no=1260, id=1259, vol=3.310000e+05
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   46 and name   HA) 2.836 2.836 3.164 weight 1.000 spectrum  3 peak  1260 ! spec=13CMETHYL, no=1260, id=1259, vol=3.310000e+05
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   46 and name   HA) 2.836 2.836 3.164 weight 1.000 spectrum  3 peak  1260 ! spec=13CMETHYL, no=1260, id=1259, vol=3.310000e+05
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   46 and name   HA) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1262 ! spec=13CMETHYL, no=1262, id=1261, vol=1.440000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   46 and name   HA) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1262 ! spec=13CMETHYL, no=1262, id=1261, vol=1.440000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   46 and name   HA) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1262 ! spec=13CMETHYL, no=1262, id=1261, vol=1.440000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   46 and name   HA) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1262 ! spec=13CMETHYL, no=1262, id=1261, vol=1.440000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   14 and name   HA) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1273 ! spec=13CMETHYL, no=1273, id=1269, vol=1.880000e+05
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   37 and name   HA)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   14 and name   HA) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1273 ! spec=13CMETHYL, no=1273, id=1269, vol=1.880000e+05
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   37 and name   HA)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   14 and name   HA) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1273 ! spec=13CMETHYL, no=1273, id=1269, vol=1.880000e+05
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   37 and name   HA)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   14 and name   HA) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1273 ! spec=13CMETHYL, no=1273, id=1269, vol=1.880000e+05
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   37 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid    9 and name   HA) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1291 ! spec=13CMETHYL, no=1291, id=1283, vol=2.640000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    3 and name   HA)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid    9 and name   HA) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1291 ! spec=13CMETHYL, no=1291, id=1283, vol=2.640000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    3 and name   HA)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid    9 and name   HA) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1291 ! spec=13CMETHYL, no=1291, id=1283, vol=2.640000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    3 and name   HA)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid    9 and name   HA) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1291 ! spec=13CMETHYL, no=1291, id=1283, vol=2.640000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    3 and name   HA)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid    9 and name   HA) 2.964 1.098 1.098 weight 1.000 spectrum  3 peak  1292 ! spec=13CMETHYL, no=1292, id=1284, vol=2.540000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    3 and name   HA)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid    9 and name   HA) 2.964 1.098 1.098 weight 1.000 spectrum  3 peak  1292 ! spec=13CMETHYL, no=1292, id=1284, vol=2.540000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    3 and name   HA)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid    9 and name   HA) 2.964 1.098 1.098 weight 1.000 spectrum  3 peak  1292 ! spec=13CMETHYL, no=1292, id=1284, vol=2.540000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    3 and name   HA)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid    9 and name   HA) 2.964 1.098 1.098 weight 1.000 spectrum  3 peak  1292 ! spec=13CMETHYL, no=1292, id=1284, vol=2.540000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    3 and name   HA)
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    1 and name   HA) 2.653 0.880 0.880 weight 1.000 spectrum  3 peak  1303 ! spec=13CMETHYL, no=1303, id=1289, vol=4.940000e+05
    or (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    3 and name   HA)
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    1 and name   HA) 2.653 0.880 0.880 weight 1.000 spectrum  3 peak  1303 ! spec=13CMETHYL, no=1303, id=1289, vol=4.940000e+05
    or (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    3 and name   HA)
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    1 and name   HA) 2.653 0.880 0.880 weight 1.000 spectrum  3 peak  1303 ! spec=13CMETHYL, no=1303, id=1289, vol=4.940000e+05
    or (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    3 and name   HA)
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    1 and name   HA) 2.653 0.880 0.880 weight 1.000 spectrum  3 peak  1303 ! spec=13CMETHYL, no=1303, id=1289, vol=4.940000e+05
    or (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    3 and name   HA)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    3 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  3 peak  1304 ! spec=13CMETHYL, no=1304, id=1290, vol=2.400000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    3 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  3 peak  1304 ! spec=13CMETHYL, no=1304, id=1290, vol=2.400000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    3 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  3 peak  1304 ! spec=13CMETHYL, no=1304, id=1290, vol=2.400000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    3 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  3 peak  1304 ! spec=13CMETHYL, no=1304, id=1290, vol=2.400000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    3 and name   HA) 3.018 1.139 1.139 weight 1.000 spectrum  3 peak  1307 ! spec=13CMETHYL, no=1307, id=1293, vol=2.280000e+05
    or (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name   HA)
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    3 and name   HA) 3.018 1.139 1.139 weight 1.000 spectrum  3 peak  1307 ! spec=13CMETHYL, no=1307, id=1293, vol=2.280000e+05
    or (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name   HA)
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    3 and name   HA) 3.018 1.139 1.139 weight 1.000 spectrum  3 peak  1307 ! spec=13CMETHYL, no=1307, id=1293, vol=2.280000e+05
    or (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name   HA)
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    3 and name   HA) 3.018 1.139 1.139 weight 1.000 spectrum  3 peak  1307 ! spec=13CMETHYL, no=1307, id=1293, vol=2.280000e+05
    or (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name   HA)
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    7 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  3 peak  1335 ! spec=13CMETHYL, no=1335, id=1302, vol=2.720000e+05
    or (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid   10 and name   HA)
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    7 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  3 peak  1335 ! spec=13CMETHYL, no=1335, id=1302, vol=2.720000e+05
    or (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid   10 and name   HA)
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    7 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  3 peak  1335 ! spec=13CMETHYL, no=1335, id=1302, vol=2.720000e+05
    or (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid   10 and name   HA)
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    7 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  3 peak  1335 ! spec=13CMETHYL, no=1335, id=1302, vol=2.720000e+05
    or (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid   10 and name   HA)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1353 ! spec=13CMETHYL, no=1353, id=1314, vol=1.510000e+05
    or (segid "   A" and resid   48 and name  HB#) (segid "   D" and resid    6 and name   HA)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1353 ! spec=13CMETHYL, no=1353, id=1314, vol=1.510000e+05
    or (segid "   B" and resid   48 and name  HB#) (segid "   C" and resid    6 and name   HA)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1353 ! spec=13CMETHYL, no=1353, id=1314, vol=1.510000e+05
    or (segid "   C" and resid   48 and name  HB#) (segid "   B" and resid    6 and name   HA)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1353 ! spec=13CMETHYL, no=1353, id=1314, vol=1.510000e+05
    or (segid "   D" and resid   48 and name  HB#) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1354 ! spec=13CMETHYL, no=1354, id=1315, vol=1.200000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1354 ! spec=13CMETHYL, no=1354, id=1315, vol=1.200000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1354 ! spec=13CMETHYL, no=1354, id=1315, vol=1.200000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1354 ! spec=13CMETHYL, no=1354, id=1315, vol=1.200000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.345 1.399 1.399 weight 1.000 spectrum  3 peak  1355 ! spec=13CMETHYL, no=1355, id=1316, vol=1.230000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.345 1.399 1.399 weight 1.000 spectrum  3 peak  1355 ! spec=13CMETHYL, no=1355, id=1316, vol=1.230000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.345 1.399 1.399 weight 1.000 spectrum  3 peak  1355 ! spec=13CMETHYL, no=1355, id=1316, vol=1.230000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.345 1.399 1.399 weight 1.000 spectrum  3 peak  1355 ! spec=13CMETHYL, no=1355, id=1316, vol=1.230000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid    7 and name   HG) (segid "   A" and resid    6 and name   HA) 3.424 3.424 2.576 weight 1.000 spectrum  3 peak  1356 ! spec=13CMETHYL, no=1356, id=1317, vol=1.070000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid    6 and name   HA)
assign (segid "   B" and resid    7 and name   HG) (segid "   B" and resid    6 and name   HA) 3.424 3.424 2.576 weight 1.000 spectrum  3 peak  1356 ! spec=13CMETHYL, no=1356, id=1317, vol=1.070000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid    6 and name   HA)
assign (segid "   C" and resid    7 and name   HG) (segid "   C" and resid    6 and name   HA) 3.424 3.424 2.576 weight 1.000 spectrum  3 peak  1356 ! spec=13CMETHYL, no=1356, id=1317, vol=1.070000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid    6 and name   HA)
assign (segid "   D" and resid    7 and name   HG) (segid "   D" and resid    6 and name   HA) 3.424 3.424 2.576 weight 1.000 spectrum  3 peak  1356 ! spec=13CMETHYL, no=1356, id=1317, vol=1.070000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid    6 and name   HA)
assign (segid "   A" and resid   48 and name  HB#) (segid "   C" and resid    6 and name  HE#) 2.769 0.959 1.090 weight 1.000 spectrum  3 peak  1397 ! spec=13CMETHYL, no=1397, id=1346, vol=3.820000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name  HE#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   D" and resid    6 and name  HE#) 2.769 0.959 1.090 weight 1.000 spectrum  3 peak  1397 ! spec=13CMETHYL, no=1397, id=1346, vol=3.820000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name  HE#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   A" and resid    6 and name  HE#) 2.769 0.959 1.090 weight 1.000 spectrum  3 peak  1397 ! spec=13CMETHYL, no=1397, id=1346, vol=3.820000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name  HE#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   B" and resid    6 and name  HE#) 2.769 0.959 1.090 weight 1.000 spectrum  3 peak  1397 ! spec=13CMETHYL, no=1397, id=1346, vol=3.820000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name  HE#)
assign (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid    6 and name  HE#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1398 ! spec=13CMETHYL, no=1398, id=1347, vol=1.510000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    6 and name  HE#)
assign (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid    6 and name  HE#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1398 ! spec=13CMETHYL, no=1398, id=1347, vol=1.510000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    6 and name  HE#)
assign (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid    6 and name  HE#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1398 ! spec=13CMETHYL, no=1398, id=1347, vol=1.510000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    6 and name  HE#)
assign (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid    6 and name  HE#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1398 ! spec=13CMETHYL, no=1398, id=1347, vol=1.510000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    6 and name  HE#)
assign (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   43 and name HE2#) 3.398 1.443 1.655 weight 1.000 spectrum  3 peak  1410 ! spec=13CMETHYL, no=1410, id=1354, vol=1.120000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    8 and name HE2#)
    or (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid    8 and name HE2#)
    or (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   14 and name HD2#)
assign (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   43 and name HE2#) 3.398 1.443 1.655 weight 1.000 spectrum  3 peak  1410 ! spec=13CMETHYL, no=1410, id=1354, vol=1.120000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    8 and name HE2#)
    or (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid    8 and name HE2#)
    or (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   14 and name HD2#)
assign (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   43 and name HE2#) 3.398 1.443 1.655 weight 1.000 spectrum  3 peak  1410 ! spec=13CMETHYL, no=1410, id=1354, vol=1.120000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    8 and name HE2#)
    or (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid    8 and name HE2#)
    or (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   14 and name HD2#)
assign (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   43 and name HE2#) 3.398 1.443 1.655 weight 1.000 spectrum  3 peak  1410 ! spec=13CMETHYL, no=1410, id=1354, vol=1.120000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    8 and name HE2#)
    or (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid    8 and name HE2#)
    or (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   14 and name HD2#)
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name HD2#) 3.505 1.536 1.536 weight 1.000 spectrum  3 peak  1411 ! spec=13CMETHYL, no=1411, id=1355, vol=9.290000e+04
    or (segid "   A" and resid   26 and name  HG#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name HD2#) 3.505 1.536 1.536 weight 1.000 spectrum  3 peak  1411 ! spec=13CMETHYL, no=1411, id=1355, vol=9.290000e+04
    or (segid "   B" and resid   26 and name  HG#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name HD2#) 3.505 1.536 1.536 weight 1.000 spectrum  3 peak  1411 ! spec=13CMETHYL, no=1411, id=1355, vol=9.290000e+04
    or (segid "   C" and resid   26 and name  HG#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name HD2#) 3.505 1.536 1.536 weight 1.000 spectrum  3 peak  1411 ! spec=13CMETHYL, no=1411, id=1355, vol=9.290000e+04
    or (segid "   D" and resid   26 and name  HG#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#) 3.413 1.456 1.456 weight 1.000 spectrum  3 peak  1417 ! spec=13CMETHYL, no=1417, id=1361, vol=1.090000e+05
    or (segid "   A" and resid   10 and name  HB#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#) 3.413 1.456 1.456 weight 1.000 spectrum  3 peak  1417 ! spec=13CMETHYL, no=1417, id=1361, vol=1.090000e+05
    or (segid "   B" and resid   10 and name  HB#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#) 3.413 1.456 1.456 weight 1.000 spectrum  3 peak  1417 ! spec=13CMETHYL, no=1417, id=1361, vol=1.090000e+05
    or (segid "   C" and resid   10 and name  HB#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#) 3.413 1.456 1.456 weight 1.000 spectrum  3 peak  1417 ! spec=13CMETHYL, no=1417, id=1361, vol=1.090000e+05
    or (segid "   D" and resid   10 and name  HB#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   A" and resid   26 and name  HB#) (segid "   B" and resid   14 and name HD2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1422 ! spec=13CMETHYL, no=1422, id=1366, vol=3.760000e+05
    or (segid "   A" and resid   26 and name  HB#) (segid "   C" and resid   39 and name  HE#)
assign (segid "   B" and resid   26 and name  HB#) (segid "   A" and resid   14 and name HD2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1422 ! spec=13CMETHYL, no=1422, id=1366, vol=3.760000e+05
    or (segid "   B" and resid   26 and name  HB#) (segid "   D" and resid   39 and name  HE#)
assign (segid "   C" and resid   26 and name  HB#) (segid "   D" and resid   14 and name HD2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1422 ! spec=13CMETHYL, no=1422, id=1366, vol=3.760000e+05
    or (segid "   C" and resid   26 and name  HB#) (segid "   A" and resid   39 and name  HE#)
assign (segid "   D" and resid   26 and name  HB#) (segid "   C" and resid   14 and name HD2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1422 ! spec=13CMETHYL, no=1422, id=1366, vol=3.760000e+05
    or (segid "   D" and resid   26 and name  HB#) (segid "   B" and resid   39 and name  HE#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   41 and name HE2#) 3.510 1.540 1.540 weight 1.000 spectrum  3 peak  1423 ! spec=13CMETHYL, no=1423, id=1367, vol=9.210000e+04
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HE#)
    or (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   44 and name HE2#)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   41 and name HE2#) 3.510 1.540 1.540 weight 1.000 spectrum  3 peak  1423 ! spec=13CMETHYL, no=1423, id=1367, vol=9.210000e+04
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HE#)
    or (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   44 and name HE2#)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   41 and name HE2#) 3.510 1.540 1.540 weight 1.000 spectrum  3 peak  1423 ! spec=13CMETHYL, no=1423, id=1367, vol=9.210000e+04
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HE#)
    or (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   44 and name HE2#)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   41 and name HE2#) 3.510 1.540 1.540 weight 1.000 spectrum  3 peak  1423 ! spec=13CMETHYL, no=1423, id=1367, vol=9.210000e+04
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HE#)
    or (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   44 and name HE2#)
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name HE2#) 2.978 1.109 1.109 weight 1.000 spectrum  3 peak  1431 ! spec=13CMETHYL, no=1431, id=1370, vol=2.470000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name HE2#)
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name HE2#) 2.978 1.109 1.109 weight 1.000 spectrum  3 peak  1431 ! spec=13CMETHYL, no=1431, id=1370, vol=2.470000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name HE2#)
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name HE2#) 2.978 1.109 1.109 weight 1.000 spectrum  3 peak  1431 ! spec=13CMETHYL, no=1431, id=1370, vol=2.470000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name HE2#)
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name HE2#) 2.978 1.109 1.109 weight 1.000 spectrum  3 peak  1431 ! spec=13CMETHYL, no=1431, id=1370, vol=2.470000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name HE2#)
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name HE2#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak  1432 ! spec=13CMETHYL, no=1432, id=1371, vol=3.140000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name HE2#)
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name HE2#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak  1432 ! spec=13CMETHYL, no=1432, id=1371, vol=3.140000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name HE2#)
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name HE2#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak  1432 ! spec=13CMETHYL, no=1432, id=1371, vol=3.140000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name HE2#)
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name HE2#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak  1432 ! spec=13CMETHYL, no=1432, id=1371, vol=3.140000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name HE2#)
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   39 and name  HE#) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1433 ! spec=13CMETHYL, no=1433, id=1372, vol=1.110000e+05
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   44 and name HE2#)
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   39 and name  HE#) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1433 ! spec=13CMETHYL, no=1433, id=1372, vol=1.110000e+05
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   44 and name HE2#)
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   39 and name  HE#) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1433 ! spec=13CMETHYL, no=1433, id=1372, vol=1.110000e+05
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   44 and name HE2#)
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   39 and name  HE#) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1433 ! spec=13CMETHYL, no=1433, id=1372, vol=1.110000e+05
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   44 and name HE2#)
assign (segid "   A" and resid   48 and name  HB#) (segid "   D" and resid    6 and name  HD#) 2.980 1.110 1.110 weight 1.000 spectrum  3 peak  1443 ! spec=13CMETHYL, no=1443, id=1380, vol=2.460000e+05
    or (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name  HD#)
assign (segid "   B" and resid   48 and name  HB#) (segid "   C" and resid    6 and name  HD#) 2.980 1.110 1.110 weight 1.000 spectrum  3 peak  1443 ! spec=13CMETHYL, no=1443, id=1380, vol=2.460000e+05
    or (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name  HD#)
assign (segid "   C" and resid   48 and name  HB#) (segid "   B" and resid    6 and name  HD#) 2.980 1.110 1.110 weight 1.000 spectrum  3 peak  1443 ! spec=13CMETHYL, no=1443, id=1380, vol=2.460000e+05
    or (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name  HD#)
assign (segid "   D" and resid   48 and name  HB#) (segid "   A" and resid    6 and name  HD#) 2.980 1.110 1.110 weight 1.000 spectrum  3 peak  1443 ! spec=13CMETHYL, no=1443, id=1380, vol=2.460000e+05
    or (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name  HD#)
assign (segid "   A" and resid   48 and name  HG#) (segid "   C" and resid    6 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1447 ! spec=13CMETHYL, no=1447, id=1384, vol=1.040000e+05
    or (segid "   A" and resid   48 and name  HG#) (segid "   D" and resid    6 and name  HD#)
assign (segid "   B" and resid   48 and name  HG#) (segid "   D" and resid    6 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1447 ! spec=13CMETHYL, no=1447, id=1384, vol=1.040000e+05
    or (segid "   B" and resid   48 and name  HG#) (segid "   C" and resid    6 and name  HD#)
assign (segid "   C" and resid   48 and name  HG#) (segid "   A" and resid    6 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1447 ! spec=13CMETHYL, no=1447, id=1384, vol=1.040000e+05
    or (segid "   C" and resid   48 and name  HG#) (segid "   B" and resid    6 and name  HD#)
assign (segid "   D" and resid   48 and name  HG#) (segid "   B" and resid    6 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1447 ! spec=13CMETHYL, no=1447, id=1384, vol=1.040000e+05
    or (segid "   D" and resid   48 and name  HG#) (segid "   A" and resid    6 and name  HD#)
assign (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   43 and name HE2#) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1454 ! spec=13CMETHYL, no=1454, id=1390, vol=3.290000e+05
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   43 and name HE2#) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1454 ! spec=13CMETHYL, no=1454, id=1390, vol=3.290000e+05
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   43 and name HE2#) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1454 ! spec=13CMETHYL, no=1454, id=1390, vol=3.290000e+05
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   43 and name HE2#) 2.839 2.839 3.161 weight 1.000 spectrum  3 peak  1454 ! spec=13CMETHYL, no=1454, id=1390, vol=3.290000e+05
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   39 and name  HD#) 2.913 1.061 1.061 weight 1.000 spectrum  3 peak  1455 ! spec=13CMETHYL, no=1455, id=1391, vol=2.820000e+05
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   39 and name  HD#)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name HE2#)
assign (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   39 and name  HD#) 2.913 1.061 1.061 weight 1.000 spectrum  3 peak  1455 ! spec=13CMETHYL, no=1455, id=1391, vol=2.820000e+05
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   39 and name  HD#)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name HE2#)
assign (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   39 and name  HD#) 2.913 1.061 1.061 weight 1.000 spectrum  3 peak  1455 ! spec=13CMETHYL, no=1455, id=1391, vol=2.820000e+05
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   39 and name  HD#)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name HE2#)
assign (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   39 and name  HD#) 2.913 1.061 1.061 weight 1.000 spectrum  3 peak  1455 ! spec=13CMETHYL, no=1455, id=1391, vol=2.820000e+05
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   39 and name  HD#)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name HE2#)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1465 ! spec=13CMETHYL, no=1465, id=1395, vol=2.290000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HB#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1465 ! spec=13CMETHYL, no=1465, id=1395, vol=2.290000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1465 ! spec=13CMETHYL, no=1465, id=1395, vol=2.290000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1465 ! spec=13CMETHYL, no=1465, id=1395, vol=2.290000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HG#) 3.393 1.439 1.439 weight 1.000 spectrum  3 peak  1466 ! spec=13CMETHYL, no=1466, id=1396, vol=1.130000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   29 and name   HN)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HG#) 3.393 1.439 1.439 weight 1.000 spectrum  3 peak  1466 ! spec=13CMETHYL, no=1466, id=1396, vol=1.130000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   29 and name   HN)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HG#) 3.393 1.439 1.439 weight 1.000 spectrum  3 peak  1466 ! spec=13CMETHYL, no=1466, id=1396, vol=1.130000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   29 and name   HN)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HG#) 3.393 1.439 1.439 weight 1.000 spectrum  3 peak  1466 ! spec=13CMETHYL, no=1466, id=1396, vol=1.130000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   29 and name   HN)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HG) 3.247 3.247 2.864 weight 1.000 spectrum  3 peak  1469 ! spec=13CMETHYL, no=1469, id=1399, vol=1.470000e+05
    or (segid "   A" and resid   30 and name   HG) (segid "   C" and resid   29 and name   HN)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   30 and name   HG) 3.247 3.247 2.864 weight 1.000 spectrum  3 peak  1469 ! spec=13CMETHYL, no=1469, id=1399, vol=1.470000e+05
    or (segid "   B" and resid   30 and name   HG) (segid "   D" and resid   29 and name   HN)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   30 and name   HG) 3.247 3.247 2.864 weight 1.000 spectrum  3 peak  1469 ! spec=13CMETHYL, no=1469, id=1399, vol=1.470000e+05
    or (segid "   C" and resid   30 and name   HG) (segid "   A" and resid   29 and name   HN)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   30 and name   HG) 3.247 3.247 2.864 weight 1.000 spectrum  3 peak  1469 ! spec=13CMETHYL, no=1469, id=1399, vol=1.470000e+05
    or (segid "   D" and resid   30 and name   HG) (segid "   B" and resid   29 and name   HN)
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name  HE#) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1474 ! spec=13CMETHYL, no=1474, id=1402, vol=1.520000e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HB)
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name  HE#) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1474 ! spec=13CMETHYL, no=1474, id=1402, vol=1.520000e+06
    or (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   31 and name   HB)
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name  HE#) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1474 ! spec=13CMETHYL, no=1474, id=1402, vol=1.520000e+06
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name   HB)
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name  HE#) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1474 ! spec=13CMETHYL, no=1474, id=1402, vol=1.520000e+06
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name   HB)
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#) 2.789 0.972 0.972 weight 1.000 spectrum  3 peak  1493 ! spec=13CMETHYL, no=1493, id=1413, vol=3.660000e+05
    or (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   35 and name   HN)
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#) 2.789 0.972 0.972 weight 1.000 spectrum  3 peak  1493 ! spec=13CMETHYL, no=1493, id=1413, vol=3.660000e+05
    or (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   35 and name   HN)
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#) 2.789 0.972 0.972 weight 1.000 spectrum  3 peak  1493 ! spec=13CMETHYL, no=1493, id=1413, vol=3.660000e+05
    or (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   35 and name   HN)
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#) 2.789 0.972 0.972 weight 1.000 spectrum  3 peak  1493 ! spec=13CMETHYL, no=1493, id=1413, vol=3.660000e+05
    or (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   35 and name   HN)
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   20 and name   HN) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1500 ! spec=13CMETHYL, no=1500, id=1415, vol=9.440000e+04
    or (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   20 and name   HN)
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   20 and name   HN) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1500 ! spec=13CMETHYL, no=1500, id=1415, vol=9.440000e+04
    or (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   20 and name   HN)
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   20 and name   HN) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1500 ! spec=13CMETHYL, no=1500, id=1415, vol=9.440000e+04
    or (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   20 and name   HN)
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   20 and name   HN) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1500 ! spec=13CMETHYL, no=1500, id=1415, vol=9.440000e+04
    or (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   20 and name   HN)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1502 ! spec=13CMETHYL, no=1502, id=1417, vol=1.290000e+05
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    8 and name HE2#)
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   33 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1502 ! spec=13CMETHYL, no=1502, id=1417, vol=1.290000e+05
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    8 and name HE2#)
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   33 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1502 ! spec=13CMETHYL, no=1502, id=1417, vol=1.290000e+05
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    8 and name HE2#)
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   33 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1502 ! spec=13CMETHYL, no=1502, id=1417, vol=1.290000e+05
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    8 and name HE2#)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG#) 3.192 1.273 1.273 weight 1.000 spectrum  3 peak  1511 ! spec=13CMETHYL, no=1511, id=1426, vol=1.630000e+05
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name HE2#)
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HG#) 3.192 1.273 1.273 weight 1.000 spectrum  3 peak  1511 ! spec=13CMETHYL, no=1511, id=1426, vol=1.630000e+05
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name HE2#)
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HG#) 3.192 1.273 1.273 weight 1.000 spectrum  3 peak  1511 ! spec=13CMETHYL, no=1511, id=1426, vol=1.630000e+05
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name HE2#)
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HG#) 3.192 1.273 1.273 weight 1.000 spectrum  3 peak  1511 ! spec=13CMETHYL, no=1511, id=1426, vol=1.630000e+05
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name HE2#)
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   20 and name   HN) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak  1512 ! spec=13CMETHYL, no=1512, id=1427, vol=1.170000e+05
    or (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   35 and name   HN)
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   20 and name   HN) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak  1512 ! spec=13CMETHYL, no=1512, id=1427, vol=1.170000e+05
    or (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   35 and name   HN)
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   20 and name   HN) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak  1512 ! spec=13CMETHYL, no=1512, id=1427, vol=1.170000e+05
    or (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   35 and name   HN)
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   20 and name   HN) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak  1512 ! spec=13CMETHYL, no=1512, id=1427, vol=1.170000e+05
    or (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   35 and name   HN)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1520 ! spec=13CMETHYL, no=1520, id=1431, vol=2.420000e+05
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   20 and name   HN)
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1520 ! spec=13CMETHYL, no=1520, id=1431, vol=2.420000e+05
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   20 and name   HN)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1520 ! spec=13CMETHYL, no=1520, id=1431, vol=2.420000e+05
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   20 and name   HN)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1520 ! spec=13CMETHYL, no=1520, id=1431, vol=2.420000e+05
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   20 and name   HN)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1547 ! spec=13CMETHYL, no=1547, id=1450, vol=2.000000e+05
    or (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   28 and name   HN)
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HG#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1547 ! spec=13CMETHYL, no=1547, id=1450, vol=2.000000e+05
    or (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   28 and name   HN)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1547 ! spec=13CMETHYL, no=1547, id=1450, vol=2.000000e+05
    or (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   28 and name   HN)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1547 ! spec=13CMETHYL, no=1547, id=1450, vol=2.000000e+05
    or (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   28 and name   HN)
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   28 and name   HN) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1548 ! spec=13CMETHYL, no=1548, id=1451, vol=1.250000e+05
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name HE2#)
    or (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name   HE)
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   28 and name   HN) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1548 ! spec=13CMETHYL, no=1548, id=1451, vol=1.250000e+05
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name HE2#)
    or (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name   HE)
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   28 and name   HN) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1548 ! spec=13CMETHYL, no=1548, id=1451, vol=1.250000e+05
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name HE2#)
    or (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name   HE)
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   28 and name   HN) 3.336 1.391 1.391 weight 1.000 spectrum  3 peak  1548 ! spec=13CMETHYL, no=1548, id=1451, vol=1.250000e+05
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name HE2#)
    or (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name   HE)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name   HE) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1555 ! spec=13CMETHYL, no=1555, id=1455, vol=1.640000e+05
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name   HN)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name   HE) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1555 ! spec=13CMETHYL, no=1555, id=1455, vol=1.640000e+05
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name   HN)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name   HE) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1555 ! spec=13CMETHYL, no=1555, id=1455, vol=1.640000e+05
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name   HN)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name   HE) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1555 ! spec=13CMETHYL, no=1555, id=1455, vol=1.640000e+05
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name   HN)
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name   HE) 3.471 1.506 1.506 weight 1.000 spectrum  3 peak  1556 ! spec=13CMETHYL, no=1556, id=1456, vol=9.860000e+04
    or (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   17 and name   HN)
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name   HE) 3.471 1.506 1.506 weight 1.000 spectrum  3 peak  1556 ! spec=13CMETHYL, no=1556, id=1456, vol=9.860000e+04
    or (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   17 and name   HN)
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name   HE) 3.471 1.506 1.506 weight 1.000 spectrum  3 peak  1556 ! spec=13CMETHYL, no=1556, id=1456, vol=9.860000e+04
    or (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   17 and name   HN)
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name   HE) 3.471 1.506 1.506 weight 1.000 spectrum  3 peak  1556 ! spec=13CMETHYL, no=1556, id=1456, vol=9.860000e+04
    or (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   17 and name   HN)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   17 and name   HN) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1557 ! spec=13CMETHYL, no=1557, id=1457, vol=1.110000e+05
    or (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   17 and name   HN)
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   17 and name   HN) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1557 ! spec=13CMETHYL, no=1557, id=1457, vol=1.110000e+05
    or (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   17 and name   HN)
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   17 and name   HN) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1557 ! spec=13CMETHYL, no=1557, id=1457, vol=1.110000e+05
    or (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   17 and name   HN)
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   17 and name   HN) 3.403 1.447 1.447 weight 1.000 spectrum  3 peak  1557 ! spec=13CMETHYL, no=1557, id=1457, vol=1.110000e+05
    or (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   17 and name   HN)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   21 and name   HN) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak  1563 ! spec=13CMETHYL, no=1563, id=1462, vol=9.740000e+04
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HG)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   18 and name   HG)
    or (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   21 and name   HN)
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HG)
    or (segid "   A" and resid   25 and name   HG) (segid "   B" and resid   17 and name   HN)
    or (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   21 and name   HN)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   21 and name   HN) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak  1563 ! spec=13CMETHYL, no=1563, id=1462, vol=9.740000e+04
    or (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   18 and name   HG)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   18 and name   HG)
    or (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   21 and name   HN)
    or (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   25 and name   HG)
    or (segid "   B" and resid   25 and name   HG) (segid "   A" and resid   17 and name   HN)
    or (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   21 and name   HN)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   21 and name   HN) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak  1563 ! spec=13CMETHYL, no=1563, id=1462, vol=9.740000e+04
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name   HG)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   18 and name   HG)
    or (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   21 and name   HN)
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   25 and name   HG)
    or (segid "   C" and resid   25 and name   HG) (segid "   D" and resid   17 and name   HN)
    or (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   21 and name   HN)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   21 and name   HN) 3.478 1.512 1.512 weight 1.000 spectrum  3 peak  1563 ! spec=13CMETHYL, no=1563, id=1462, vol=9.740000e+04
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   21 and name   HN)
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   25 and name   HG)
    or (segid "   D" and resid   25 and name   HG) (segid "   C" and resid   17 and name   HN)
    or (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   21 and name   HN)
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   21 and name   HN) 2.347 0.689 1.007 weight 1.000 spectrum  3 peak  1568 ! spec=13CMETHYL, no=1568, id=1466, vol=1.030000e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   21 and name   HN) 2.347 0.689 1.007 weight 1.000 spectrum  3 peak  1568 ! spec=13CMETHYL, no=1568, id=1466, vol=1.030000e+06
    or (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   21 and name   HN) 2.347 0.689 1.007 weight 1.000 spectrum  3 peak  1568 ! spec=13CMETHYL, no=1568, id=1466, vol=1.030000e+06
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   21 and name   HN) 2.347 0.689 1.007 weight 1.000 spectrum  3 peak  1568 ! spec=13CMETHYL, no=1568, id=1466, vol=1.030000e+06
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB#) 2.854 1.018 1.018 weight 1.000 spectrum  3 peak  1569 ! spec=13CMETHYL, no=1569, id=1467, vol=3.190000e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB#)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   21 and name  HB#) 2.854 1.018 1.018 weight 1.000 spectrum  3 peak  1569 ! spec=13CMETHYL, no=1569, id=1467, vol=3.190000e+05
    or (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   27 and name  HB#)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB#) 2.854 1.018 1.018 weight 1.000 spectrum  3 peak  1569 ! spec=13CMETHYL, no=1569, id=1467, vol=3.190000e+05
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB#)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB#) 2.854 1.018 1.018 weight 1.000 spectrum  3 peak  1569 ! spec=13CMETHYL, no=1569, id=1467, vol=3.190000e+05
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   17 and name   HN) 3.578 1.600 1.600 weight 1.000 spectrum  3 peak  1572 ! spec=13CMETHYL, no=1572, id=1470, vol=8.210000e+04
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   17 and name   HN) 3.578 1.600 1.600 weight 1.000 spectrum  3 peak  1572 ! spec=13CMETHYL, no=1572, id=1470, vol=8.210000e+04
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   17 and name   HN) 3.578 1.600 1.600 weight 1.000 spectrum  3 peak  1572 ! spec=13CMETHYL, no=1572, id=1470, vol=8.210000e+04
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   17 and name   HN) 3.578 1.600 1.600 weight 1.000 spectrum  3 peak  1572 ! spec=13CMETHYL, no=1572, id=1470, vol=8.210000e+04
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   17 and name   HN) 3.495 1.527 1.527 weight 1.000 spectrum  3 peak  1573 ! spec=13CMETHYL, no=1573, id=1471, vol=9.460000e+04
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   21 and name   HN)
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   17 and name   HN) 3.495 1.527 1.527 weight 1.000 spectrum  3 peak  1573 ! spec=13CMETHYL, no=1573, id=1471, vol=9.460000e+04
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   21 and name   HN)
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   17 and name   HN) 3.495 1.527 1.527 weight 1.000 spectrum  3 peak  1573 ! spec=13CMETHYL, no=1573, id=1471, vol=9.460000e+04
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   21 and name   HN)
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   17 and name   HN) 3.495 1.527 1.527 weight 1.000 spectrum  3 peak  1573 ! spec=13CMETHYL, no=1573, id=1471, vol=9.460000e+04
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   21 and name   HN)
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   17 and name   HN) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1578 ! spec=13CMETHYL, no=1578, id=1474, vol=1.600000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   17 and name   HN) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1578 ! spec=13CMETHYL, no=1578, id=1474, vol=1.600000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HG#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   17 and name   HN) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1578 ! spec=13CMETHYL, no=1578, id=1474, vol=1.600000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HG#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   17 and name   HN) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1578 ! spec=13CMETHYL, no=1578, id=1474, vol=1.600000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HG#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.183 2.183 3.817 weight 1.000 spectrum  3 peak  1582 ! spec=13CMETHYL, no=1582, id=1475, vol=1.590000e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   21 and name   HN)
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.183 2.183 3.817 weight 1.000 spectrum  3 peak  1582 ! spec=13CMETHYL, no=1582, id=1475, vol=1.590000e+06
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   21 and name   HN)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.183 2.183 3.817 weight 1.000 spectrum  3 peak  1582 ! spec=13CMETHYL, no=1582, id=1475, vol=1.590000e+06
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   21 and name   HN)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.183 2.183 3.817 weight 1.000 spectrum  3 peak  1582 ! spec=13CMETHYL, no=1582, id=1475, vol=1.590000e+06
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   21 and name   HN)
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   45 and name   HN) 3.229 1.303 1.303 weight 1.000 spectrum  3 peak  1584 ! spec=13CMETHYL, no=1584, id=1476, vol=1.520000e+05
    or (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   46 and name   HN)
    or (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   45 and name   HN)
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   45 and name   HN) 3.229 1.303 1.303 weight 1.000 spectrum  3 peak  1584 ! spec=13CMETHYL, no=1584, id=1476, vol=1.520000e+05
    or (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   46 and name   HN)
    or (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   45 and name   HN)
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   45 and name   HN) 3.229 1.303 1.303 weight 1.000 spectrum  3 peak  1584 ! spec=13CMETHYL, no=1584, id=1476, vol=1.520000e+05
    or (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   46 and name   HN)
    or (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   45 and name   HN)
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   45 and name   HN) 3.229 1.303 1.303 weight 1.000 spectrum  3 peak  1584 ! spec=13CMETHYL, no=1584, id=1476, vol=1.520000e+05
    or (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   46 and name   HN)
    or (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   45 and name   HN)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HG) 2.181 0.595 0.595 weight 1.000 spectrum  3 peak  1587 ! spec=13CMETHYL, no=1587, id=1479, vol=1.600000e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name   HG) 2.181 0.595 0.595 weight 1.000 spectrum  3 peak  1587 ! spec=13CMETHYL, no=1587, id=1479, vol=1.600000e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name   HG) 2.181 0.595 0.595 weight 1.000 spectrum  3 peak  1587 ! spec=13CMETHYL, no=1587, id=1479, vol=1.600000e+06
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name   HG) 2.181 0.595 0.595 weight 1.000 spectrum  3 peak  1587 ! spec=13CMETHYL, no=1587, id=1479, vol=1.600000e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB#) 2.030 0.515 0.515 weight 1.000 spectrum  3 peak  1590 ! spec=13CMETHYL, no=1590, id=1480, vol=2.460000e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HB#) 2.030 0.515 0.515 weight 1.000 spectrum  3 peak  1590 ! spec=13CMETHYL, no=1590, id=1480, vol=2.460000e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB#) 2.030 0.515 0.515 weight 1.000 spectrum  3 peak  1590 ! spec=13CMETHYL, no=1590, id=1480, vol=2.460000e+06
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name  HB#) 2.030 0.515 0.515 weight 1.000 spectrum  3 peak  1590 ! spec=13CMETHYL, no=1590, id=1480, vol=2.460000e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB#) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1591 ! spec=13CMETHYL, no=1591, id=1481, vol=1.090000e+06
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB#)
assign (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name  HB#) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1591 ! spec=13CMETHYL, no=1591, id=1481, vol=1.090000e+06
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HB#)
assign (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB#) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1591 ! spec=13CMETHYL, no=1591, id=1481, vol=1.090000e+06
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB#)
assign (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name  HB#) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1591 ! spec=13CMETHYL, no=1591, id=1481, vol=1.090000e+06
    or (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name  HB#)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   41 and name  HG#) 3.003 1.127 1.127 weight 1.000 spectrum  3 peak  1592 ! spec=13CMETHYL, no=1592, id=1482, vol=2.350000e+05
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HG#)
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   47 and name  HG#)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   47 and name  HG#)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   41 and name  HG#) 3.003 1.127 1.127 weight 1.000 spectrum  3 peak  1592 ! spec=13CMETHYL, no=1592, id=1482, vol=2.350000e+05
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name  HG#)
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   47 and name  HG#)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   47 and name  HG#)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   41 and name  HG#) 3.003 1.127 1.127 weight 1.000 spectrum  3 peak  1592 ! spec=13CMETHYL, no=1592, id=1482, vol=2.350000e+05
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name  HG#)
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   47 and name  HG#)
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   47 and name  HG#)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   41 and name  HG#) 3.003 1.127 1.127 weight 1.000 spectrum  3 peak  1592 ! spec=13CMETHYL, no=1592, id=1482, vol=2.350000e+05
    or (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   44 and name  HG#)
    or (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   47 and name  HG#)
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   47 and name  HG#)
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   45 and name   HN) 3.538 1.564 1.894 weight 1.000 spectrum  3 peak  1593 ! spec=13CMETHYL, no=1593, id=1483, vol=8.790000e+04
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   46 and name   HN)
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   45 and name   HN) 3.538 1.564 1.894 weight 1.000 spectrum  3 peak  1593 ! spec=13CMETHYL, no=1593, id=1483, vol=8.790000e+04
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   46 and name   HN)
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   45 and name   HN) 3.538 1.564 1.894 weight 1.000 spectrum  3 peak  1593 ! spec=13CMETHYL, no=1593, id=1483, vol=8.790000e+04
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   46 and name   HN)
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   45 and name   HN) 3.538 1.564 1.894 weight 1.000 spectrum  3 peak  1593 ! spec=13CMETHYL, no=1593, id=1483, vol=8.790000e+04
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   46 and name   HN)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   45 and name  HB#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1596 ! spec=13CMETHYL, no=1596, id=1484, vol=2.420000e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name  HB#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   45 and name  HB#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1596 ! spec=13CMETHYL, no=1596, id=1484, vol=2.420000e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HB#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   45 and name  HB#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1596 ! spec=13CMETHYL, no=1596, id=1484, vol=2.420000e+05
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   45 and name  HB#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   45 and name  HB#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1596 ! spec=13CMETHYL, no=1596, id=1484, vol=2.420000e+05
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   45 and name  HB#)
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1597 ! spec=13CMETHYL, no=1597, id=1485, vol=1.300000e+05
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   43 and name   HN)
    or (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   44 and name   HN)
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1597 ! spec=13CMETHYL, no=1597, id=1485, vol=1.300000e+05
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   43 and name   HN)
    or (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   44 and name   HN)
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1597 ! spec=13CMETHYL, no=1597, id=1485, vol=1.300000e+05
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   43 and name   HN)
    or (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   44 and name   HN)
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1597 ! spec=13CMETHYL, no=1597, id=1485, vol=1.300000e+05
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   43 and name   HN)
    or (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   44 and name   HN)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HG#) 2.282 2.282 3.718 weight 1.000 spectrum  3 peak  1603 ! spec=13CMETHYL, no=1603, id=1491, vol=1.220000e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HG#) 2.282 2.282 3.718 weight 1.000 spectrum  3 peak  1603 ! spec=13CMETHYL, no=1603, id=1491, vol=1.220000e+06
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG#) 2.282 2.282 3.718 weight 1.000 spectrum  3 peak  1603 ! spec=13CMETHYL, no=1603, id=1491, vol=1.220000e+06
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HG#) 2.282 2.282 3.718 weight 1.000 spectrum  3 peak  1603 ! spec=13CMETHYL, no=1603, id=1491, vol=1.220000e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HG#) 2.432 0.740 0.740 weight 1.000 spectrum  3 peak  1604 ! spec=13CMETHYL, no=1604, id=1492, vol=8.320000e+05
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HG#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name  HG#) 2.432 0.740 0.740 weight 1.000 spectrum  3 peak  1604 ! spec=13CMETHYL, no=1604, id=1492, vol=8.320000e+05
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HG#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HG#) 2.432 0.740 0.740 weight 1.000 spectrum  3 peak  1604 ! spec=13CMETHYL, no=1604, id=1492, vol=8.320000e+05
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name  HG#) 2.432 0.740 0.740 weight 1.000 spectrum  3 peak  1604 ! spec=13CMETHYL, no=1604, id=1492, vol=8.320000e+05
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HG#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG#) 2.276 2.276 3.724 weight 1.000 spectrum  3 peak  1605 ! spec=13CMETHYL, no=1605, id=1493, vol=1.240000e+06
    or (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   44 and name   HN)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HG#) 2.276 2.276 3.724 weight 1.000 spectrum  3 peak  1605 ! spec=13CMETHYL, no=1605, id=1493, vol=1.240000e+06
    or (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   44 and name   HN)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG#) 2.276 2.276 3.724 weight 1.000 spectrum  3 peak  1605 ! spec=13CMETHYL, no=1605, id=1493, vol=1.240000e+06
    or (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   44 and name   HN)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HG#) 2.276 2.276 3.724 weight 1.000 spectrum  3 peak  1605 ! spec=13CMETHYL, no=1605, id=1493, vol=1.240000e+06
    or (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   44 and name   HN)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  3 peak  1611 ! spec=13CMETHYL, no=1611, id=1499, vol=3.790000e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  3 peak  1611 ! spec=13CMETHYL, no=1611, id=1499, vol=3.790000e+06
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  3 peak  1611 ! spec=13CMETHYL, no=1611, id=1499, vol=3.790000e+06
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HB#) 1.889 0.446 0.446 weight 1.000 spectrum  3 peak  1611 ! spec=13CMETHYL, no=1611, id=1499, vol=3.790000e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HG) 2.947 2.947 3.053 weight 1.000 spectrum  3 peak  1613 ! spec=13CMETHYL, no=1613, id=1500, vol=2.630000e+05
    or (segid "   A" and resid   25 and name   HG) (segid "   B" and resid   14 and name   HN)
    or (segid "   A" and resid   25 and name   HG) (segid "   C" and resid   24 and name   HN)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   43 and name   HN)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   25 and name   HG) 2.947 2.947 3.053 weight 1.000 spectrum  3 peak  1613 ! spec=13CMETHYL, no=1613, id=1500, vol=2.630000e+05
    or (segid "   B" and resid   25 and name   HG) (segid "   A" and resid   14 and name   HN)
    or (segid "   B" and resid   25 and name   HG) (segid "   D" and resid   24 and name   HN)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   43 and name   HN)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   25 and name   HG) 2.947 2.947 3.053 weight 1.000 spectrum  3 peak  1613 ! spec=13CMETHYL, no=1613, id=1500, vol=2.630000e+05
    or (segid "   C" and resid   25 and name   HG) (segid "   D" and resid   14 and name   HN)
    or (segid "   C" and resid   25 and name   HG) (segid "   A" and resid   24 and name   HN)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   43 and name   HN)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   25 and name   HG) 2.947 2.947 3.053 weight 1.000 spectrum  3 peak  1613 ! spec=13CMETHYL, no=1613, id=1500, vol=2.630000e+05
    or (segid "   D" and resid   25 and name   HG) (segid "   C" and resid   14 and name   HN)
    or (segid "   D" and resid   25 and name   HG) (segid "   B" and resid   24 and name   HN)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   43 and name   HN)
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   14 and name   HN) 2.691 2.691 3.810 weight 1.000 spectrum  3 peak  1617 ! spec=13CMETHYL, no=1617, id=1501, vol=4.540000e+05
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   42 and name   HN)
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   43 and name   HN)
    or (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   44 and name   HN)
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   14 and name   HN) 2.691 2.691 3.810 weight 1.000 spectrum  3 peak  1617 ! spec=13CMETHYL, no=1617, id=1501, vol=4.540000e+05
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   42 and name   HN)
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   43 and name   HN)
    or (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   44 and name   HN)
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   14 and name   HN) 2.691 2.691 3.810 weight 1.000 spectrum  3 peak  1617 ! spec=13CMETHYL, no=1617, id=1501, vol=4.540000e+05
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   42 and name   HN)
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   43 and name   HN)
    or (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   44 and name   HN)
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   14 and name   HN) 2.691 2.691 3.810 weight 1.000 spectrum  3 peak  1617 ! spec=13CMETHYL, no=1617, id=1501, vol=4.540000e+05
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   42 and name   HN)
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   43 and name   HN)
    or (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   44 and name   HN)
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   24 and name   HN) 3.023 3.023 2.977 weight 1.000 spectrum  3 peak  1620 ! spec=13CMETHYL, no=1620, id=1502, vol=2.260000e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   24 and name   HN) 3.023 3.023 2.977 weight 1.000 spectrum  3 peak  1620 ! spec=13CMETHYL, no=1620, id=1502, vol=2.260000e+05
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   24 and name   HN) 3.023 3.023 2.977 weight 1.000 spectrum  3 peak  1620 ! spec=13CMETHYL, no=1620, id=1502, vol=2.260000e+05
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   24 and name   HN) 3.023 3.023 2.977 weight 1.000 spectrum  3 peak  1620 ! spec=13CMETHYL, no=1620, id=1502, vol=2.260000e+05
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   42 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1621 ! spec=13CMETHYL, no=1621, id=1503, vol=1.410000e+06
    or (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name   HN)
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name   HN)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   42 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1621 ! spec=13CMETHYL, no=1621, id=1503, vol=1.410000e+06
    or (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name   HN)
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name   HN)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   42 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1621 ! spec=13CMETHYL, no=1621, id=1503, vol=1.410000e+06
    or (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name   HN)
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name   HN)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   42 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1621 ! spec=13CMETHYL, no=1621, id=1503, vol=1.410000e+06
    or (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name   HN)
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name   HN)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HG#) 2.488 0.774 0.887 weight 1.000 spectrum  3 peak  1631 ! spec=13CMETHYL, no=1631, id=1512, vol=7.260000e+05
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HG#)
    or (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   48 and name   HN)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name  HG#) 2.488 0.774 0.887 weight 1.000 spectrum  3 peak  1631 ! spec=13CMETHYL, no=1631, id=1512, vol=7.260000e+05
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HG#)
    or (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   48 and name   HN)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HG#) 2.488 0.774 0.887 weight 1.000 spectrum  3 peak  1631 ! spec=13CMETHYL, no=1631, id=1512, vol=7.260000e+05
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HG#)
    or (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   48 and name   HN)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name  HG#) 2.488 0.774 0.887 weight 1.000 spectrum  3 peak  1631 ! spec=13CMETHYL, no=1631, id=1512, vol=7.260000e+05
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HG#)
    or (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   48 and name   HN)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB#) 2.648 0.876 0.876 weight 1.000 spectrum  3 peak  1632 ! spec=13CMETHYL, no=1632, id=1513, vol=5.000000e+05
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name  HB#) 2.648 0.876 0.876 weight 1.000 spectrum  3 peak  1632 ! spec=13CMETHYL, no=1632, id=1513, vol=5.000000e+05
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HB#) 2.648 0.876 0.876 weight 1.000 spectrum  3 peak  1632 ! spec=13CMETHYL, no=1632, id=1513, vol=5.000000e+05
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name  HB#) 2.648 0.876 0.876 weight 1.000 spectrum  3 peak  1632 ! spec=13CMETHYL, no=1632, id=1513, vol=5.000000e+05
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   30 and name   HN) 2.264 0.641 0.794 weight 1.000 spectrum  3 peak  1633 ! spec=13CMETHYL, no=1633, id=1514, vol=1.280000e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   30 and name   HN) 2.264 0.641 0.794 weight 1.000 spectrum  3 peak  1633 ! spec=13CMETHYL, no=1633, id=1514, vol=1.280000e+06
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   30 and name   HN) 2.264 0.641 0.794 weight 1.000 spectrum  3 peak  1633 ! spec=13CMETHYL, no=1633, id=1514, vol=1.280000e+06
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   30 and name   HN) 2.264 0.641 0.794 weight 1.000 spectrum  3 peak  1633 ! spec=13CMETHYL, no=1633, id=1514, vol=1.280000e+06
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HB) 3.020 1.140 1.546 weight 1.000 spectrum  3 peak  1641 ! spec=13CMETHYL, no=1641, id=1521, vol=2.270000e+05
    or (segid "   A" and resid   31 and name   HB) (segid "   C" and resid   30 and name   HN)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HG#)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HG#)
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   31 and name   HB) 3.020 1.140 1.546 weight 1.000 spectrum  3 peak  1641 ! spec=13CMETHYL, no=1641, id=1521, vol=2.270000e+05
    or (segid "   B" and resid   31 and name   HB) (segid "   D" and resid   30 and name   HN)
    or (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name  HG#)
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name  HG#)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HB) 3.020 1.140 1.546 weight 1.000 spectrum  3 peak  1641 ! spec=13CMETHYL, no=1641, id=1521, vol=2.270000e+05
    or (segid "   C" and resid   31 and name   HB) (segid "   A" and resid   30 and name   HN)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name  HG#)
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name  HG#)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   31 and name   HB) 3.020 1.140 1.546 weight 1.000 spectrum  3 peak  1641 ! spec=13CMETHYL, no=1641, id=1521, vol=2.270000e+05
    or (segid "   D" and resid   31 and name   HB) (segid "   B" and resid   30 and name   HN)
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name  HG#)
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name  HG#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB#) 3.266 1.333 1.333 weight 1.000 spectrum  3 peak  1642 ! spec=13CMETHYL, no=1642, id=1522, vol=1.420000e+05
    or (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   23 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name  HB#) 3.266 1.333 1.333 weight 1.000 spectrum  3 peak  1642 ! spec=13CMETHYL, no=1642, id=1522, vol=1.420000e+05
    or (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   23 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name  HB#) 3.266 1.333 1.333 weight 1.000 spectrum  3 peak  1642 ! spec=13CMETHYL, no=1642, id=1522, vol=1.420000e+05
    or (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   23 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name  HB#) 3.266 1.333 1.333 weight 1.000 spectrum  3 peak  1642 ! spec=13CMETHYL, no=1642, id=1522, vol=1.420000e+05
    or (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   23 and name   HN)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG1#) 3.128 1.223 1.223 weight 1.000 spectrum  3 peak  1643 ! spec=13CMETHYL, no=1643, id=1523, vol=1.840000e+05
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   18 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name HG1#) 3.128 1.223 1.223 weight 1.000 spectrum  3 peak  1643 ! spec=13CMETHYL, no=1643, id=1523, vol=1.840000e+05
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   18 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG1#) 3.128 1.223 1.223 weight 1.000 spectrum  3 peak  1643 ! spec=13CMETHYL, no=1643, id=1523, vol=1.840000e+05
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   18 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name HG1#) 3.128 1.223 1.223 weight 1.000 spectrum  3 peak  1643 ! spec=13CMETHYL, no=1643, id=1523, vol=1.840000e+05
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   18 and name   HN)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HG) 2.378 0.707 1.367 weight 1.000 spectrum  3 peak  1644 ! spec=13CMETHYL, no=1644, id=1524, vol=9.530000e+05
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   46 and name   HG)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HG)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name   HG) 2.378 0.707 1.367 weight 1.000 spectrum  3 peak  1644 ! spec=13CMETHYL, no=1644, id=1524, vol=9.530000e+05
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   46 and name   HG)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name   HG)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name   HG) 2.378 0.707 1.367 weight 1.000 spectrum  3 peak  1644 ! spec=13CMETHYL, no=1644, id=1524, vol=9.530000e+05
    or (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   46 and name   HG)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name   HG)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name   HG) 2.378 0.707 1.367 weight 1.000 spectrum  3 peak  1644 ! spec=13CMETHYL, no=1644, id=1524, vol=9.530000e+05
    or (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   46 and name   HG)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name   HG)
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   18 and name   HN) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak  1646 ! spec=13CMETHYL, no=1646, id=1525, vol=6.260000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   23 and name   HN)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HG)
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   18 and name   HN) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak  1646 ! spec=13CMETHYL, no=1646, id=1525, vol=6.260000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   23 and name   HN)
    or (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name   HG)
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   18 and name   HN) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak  1646 ! spec=13CMETHYL, no=1646, id=1525, vol=6.260000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   23 and name   HN)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name   HG)
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   18 and name   HN) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak  1646 ! spec=13CMETHYL, no=1646, id=1525, vol=6.260000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   23 and name   HN)
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name   HG)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HD1#) 2.861 2.861 3.139 weight 1.000 spectrum  3 peak  1661 ! spec=13CMETHYL, no=1661, id=1527, vol=3.140000e+05
    or (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   18 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name HD1#) 2.861 2.861 3.139 weight 1.000 spectrum  3 peak  1661 ! spec=13CMETHYL, no=1661, id=1527, vol=3.140000e+05
    or (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   18 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HD1#) 2.861 2.861 3.139 weight 1.000 spectrum  3 peak  1661 ! spec=13CMETHYL, no=1661, id=1527, vol=3.140000e+05
    or (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   18 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name HD1#) 2.861 2.861 3.139 weight 1.000 spectrum  3 peak  1661 ! spec=13CMETHYL, no=1661, id=1527, vol=3.140000e+05
    or (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   18 and name   HN)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.546 0.810 0.810 weight 1.000 spectrum  3 peak  1666 ! spec=13CMETHYL, no=1666, id=1532, vol=6.330000e+05
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB#)
    or (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   48 and name   HN)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.546 0.810 0.810 weight 1.000 spectrum  3 peak  1666 ! spec=13CMETHYL, no=1666, id=1532, vol=6.330000e+05
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HB#)
    or (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   48 and name   HN)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.546 0.810 0.810 weight 1.000 spectrum  3 peak  1666 ! spec=13CMETHYL, no=1666, id=1532, vol=6.330000e+05
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HB#)
    or (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   48 and name   HN)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.546 0.810 0.810 weight 1.000 spectrum  3 peak  1666 ! spec=13CMETHYL, no=1666, id=1532, vol=6.330000e+05
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB#)
    or (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   48 and name   HN)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name  HB#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1693 ! spec=13CMETHYL, no=1693, id=1549, vol=1.290000e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name  HB#)
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   13 and name  HB#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1693 ! spec=13CMETHYL, no=1693, id=1549, vol=1.290000e+05
    or (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   16 and name  HB#)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name  HB#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1693 ! spec=13CMETHYL, no=1693, id=1549, vol=1.290000e+05
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   16 and name  HB#)
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   13 and name  HB#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1693 ! spec=13CMETHYL, no=1693, id=1549, vol=1.290000e+05
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   16 and name  HB#)
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   40 and name   HE) 2.994 1.121 1.121 weight 1.000 spectrum  3 peak  1698 ! spec=13CMETHYL, no=1698, id=1553, vol=2.390000e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   40 and name   HE) 2.994 1.121 1.121 weight 1.000 spectrum  3 peak  1698 ! spec=13CMETHYL, no=1698, id=1553, vol=2.390000e+05
    or (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   40 and name   HE) 2.994 1.121 1.121 weight 1.000 spectrum  3 peak  1698 ! spec=13CMETHYL, no=1698, id=1553, vol=2.390000e+05
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   40 and name   HE) 2.994 1.121 1.121 weight 1.000 spectrum  3 peak  1698 ! spec=13CMETHYL, no=1698, id=1553, vol=2.390000e+05
    or (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   40 and name   HE) (segid "   A" and resid   40 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1699 ! spec=13CMETHYL, no=1699, id=1554, vol=3.000000e+05
    or (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   41 and name   HN)
assign (segid "   B" and resid   40 and name   HE) (segid "   B" and resid   40 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1699 ! spec=13CMETHYL, no=1699, id=1554, vol=3.000000e+05
    or (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   41 and name   HN)
assign (segid "   C" and resid   40 and name   HE) (segid "   C" and resid   40 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1699 ! spec=13CMETHYL, no=1699, id=1554, vol=3.000000e+05
    or (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   41 and name   HN)
assign (segid "   D" and resid   40 and name   HE) (segid "   D" and resid   40 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1699 ! spec=13CMETHYL, no=1699, id=1554, vol=3.000000e+05
    or (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   41 and name   HN)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HG#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak  1705 ! spec=13CMETHYL, no=1705, id=1559, vol=7.940000e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HG#)
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HG#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak  1705 ! spec=13CMETHYL, no=1705, id=1559, vol=7.940000e+05
    or (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HG#)
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HG#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak  1705 ! spec=13CMETHYL, no=1705, id=1559, vol=7.940000e+05
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HG#)
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HG#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak  1705 ! spec=13CMETHYL, no=1705, id=1559, vol=7.940000e+05
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HG#)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB#) 2.576 0.829 0.829 weight 1.000 spectrum  3 peak  1706 ! spec=13CMETHYL, no=1706, id=1560, vol=5.900000e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB#)
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HB#) 2.576 0.829 0.829 weight 1.000 spectrum  3 peak  1706 ! spec=13CMETHYL, no=1706, id=1560, vol=5.900000e+05
    or (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HB#)
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB#) 2.576 0.829 0.829 weight 1.000 spectrum  3 peak  1706 ! spec=13CMETHYL, no=1706, id=1560, vol=5.900000e+05
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB#)
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HB#) 2.576 0.829 0.829 weight 1.000 spectrum  3 peak  1706 ! spec=13CMETHYL, no=1706, id=1560, vol=5.900000e+05
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB#)
assign (segid "   A" and resid   12 and name  HB#) (segid "   B" and resid    2 and name   HN) 3.580 3.580 2.420 weight 1.000 spectrum  3 peak  1707 ! spec=13CMETHYL, no=1707, id=1561, vol=8.190000e+04
    or (segid "   A" and resid   12 and name  HB#) (segid "   B" and resid    3 and name   HN)
assign (segid "   B" and resid   12 and name  HB#) (segid "   A" and resid    2 and name   HN) 3.580 3.580 2.420 weight 1.000 spectrum  3 peak  1707 ! spec=13CMETHYL, no=1707, id=1561, vol=8.190000e+04
    or (segid "   B" and resid   12 and name  HB#) (segid "   A" and resid    3 and name   HN)
assign (segid "   C" and resid   12 and name  HB#) (segid "   D" and resid    2 and name   HN) 3.580 3.580 2.420 weight 1.000 spectrum  3 peak  1707 ! spec=13CMETHYL, no=1707, id=1561, vol=8.190000e+04
    or (segid "   C" and resid   12 and name  HB#) (segid "   D" and resid    3 and name   HN)
assign (segid "   D" and resid   12 and name  HB#) (segid "   C" and resid    2 and name   HN) 3.580 3.580 2.420 weight 1.000 spectrum  3 peak  1707 ! spec=13CMETHYL, no=1707, id=1561, vol=8.190000e+04
    or (segid "   D" and resid   12 and name  HB#) (segid "   C" and resid    3 and name   HN)
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB#) 2.193 2.193 3.807 weight 1.000 spectrum  3 peak  1708 ! spec=13CMETHYL, no=1708, id=1562, vol=1.550000e+06
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB#)
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HB#) 2.193 2.193 3.807 weight 1.000 spectrum  3 peak  1708 ! spec=13CMETHYL, no=1708, id=1562, vol=1.550000e+06
    or (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HB#)
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB#) 2.193 2.193 3.807 weight 1.000 spectrum  3 peak  1708 ! spec=13CMETHYL, no=1708, id=1562, vol=1.550000e+06
    or (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB#)
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HB#) 2.193 2.193 3.807 weight 1.000 spectrum  3 peak  1708 ! spec=13CMETHYL, no=1708, id=1562, vol=1.550000e+06
    or (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB#)
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   25 and name   HN) 3.584 1.606 1.606 weight 1.000 spectrum  3 peak  1719 ! spec=13CMETHYL, no=1719, id=1570, vol=8.130000e+04
    or (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   26 and name   HN)
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   25 and name   HN) 3.584 1.606 1.606 weight 1.000 spectrum  3 peak  1719 ! spec=13CMETHYL, no=1719, id=1570, vol=8.130000e+04
    or (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   26 and name   HN)
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   25 and name   HN) 3.584 1.606 1.606 weight 1.000 spectrum  3 peak  1719 ! spec=13CMETHYL, no=1719, id=1570, vol=8.130000e+04
    or (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   26 and name   HN)
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   25 and name   HN) 3.584 1.606 1.606 weight 1.000 spectrum  3 peak  1719 ! spec=13CMETHYL, no=1719, id=1570, vol=8.130000e+04
    or (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   26 and name   HN)
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   16 and name   HN) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1729 ! spec=13CMETHYL, no=1729, id=1576, vol=1.050000e+05
    or (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   16 and name   HN)
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   16 and name   HN) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1729 ! spec=13CMETHYL, no=1729, id=1576, vol=1.050000e+05
    or (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   16 and name   HN)
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   16 and name   HN) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1729 ! spec=13CMETHYL, no=1729, id=1576, vol=1.050000e+05
    or (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   16 and name   HN)
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   16 and name   HN) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1729 ! spec=13CMETHYL, no=1729, id=1576, vol=1.050000e+05
    or (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   16 and name   HN)
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   16 and name   HN) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak  1730 ! spec=13CMETHYL, no=1730, id=1577, vol=9.630000e+04
    or (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   16 and name   HN)
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   16 and name   HN) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak  1730 ! spec=13CMETHYL, no=1730, id=1577, vol=9.630000e+04
    or (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   16 and name   HN)
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   16 and name   HN) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak  1730 ! spec=13CMETHYL, no=1730, id=1577, vol=9.630000e+04
    or (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   16 and name   HN)
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   16 and name   HN) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak  1730 ! spec=13CMETHYL, no=1730, id=1577, vol=9.630000e+04
    or (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   16 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.783 2.783 3.217 weight 1.000 spectrum  3 peak  1750 ! spec=13CMETHYL, no=1750, id=1594, vol=3.710000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    8 and name   HN)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.783 2.783 3.217 weight 1.000 spectrum  3 peak  1750 ! spec=13CMETHYL, no=1750, id=1594, vol=3.710000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    8 and name   HN)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.783 2.783 3.217 weight 1.000 spectrum  3 peak  1750 ! spec=13CMETHYL, no=1750, id=1594, vol=3.710000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    8 and name   HN)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.783 2.783 3.217 weight 1.000 spectrum  3 peak  1750 ! spec=13CMETHYL, no=1750, id=1594, vol=3.710000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    8 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.691 2.691 3.309 weight 1.000 spectrum  3 peak  1751 ! spec=13CMETHYL, no=1751, id=1595, vol=4.540000e+05
    or (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid    8 and name   HN)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.691 2.691 3.309 weight 1.000 spectrum  3 peak  1751 ! spec=13CMETHYL, no=1751, id=1595, vol=4.540000e+05
    or (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid    8 and name   HN)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.691 2.691 3.309 weight 1.000 spectrum  3 peak  1751 ! spec=13CMETHYL, no=1751, id=1595, vol=4.540000e+05
    or (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid    8 and name   HN)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.691 2.691 3.309 weight 1.000 spectrum  3 peak  1751 ! spec=13CMETHYL, no=1751, id=1595, vol=4.540000e+05
    or (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid    8 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HG) 2.932 1.075 1.242 weight 1.000 spectrum  3 peak  1757 ! spec=13CMETHYL, no=1757, id=1600, vol=2.710000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   19 and name   HN)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name   HG) 2.932 1.075 1.242 weight 1.000 spectrum  3 peak  1757 ! spec=13CMETHYL, no=1757, id=1600, vol=2.710000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   19 and name   HN)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name   HG) 2.932 1.075 1.242 weight 1.000 spectrum  3 peak  1757 ! spec=13CMETHYL, no=1757, id=1600, vol=2.710000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   19 and name   HN)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name   HG) 2.932 1.075 1.242 weight 1.000 spectrum  3 peak  1757 ! spec=13CMETHYL, no=1757, id=1600, vol=2.710000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   19 and name   HN)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   33 and name  HG#) 3.478 1.512 1.672 weight 1.000 spectrum  3 peak  1765 ! spec=13CMETHYL, no=1765, id=1605, vol=9.730000e+04
    or (segid "   A" and resid   43 and name  HG#) (segid "   D" and resid    8 and name   HN)
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   33 and name  HG#) 3.478 1.512 1.672 weight 1.000 spectrum  3 peak  1765 ! spec=13CMETHYL, no=1765, id=1605, vol=9.730000e+04
    or (segid "   B" and resid   43 and name  HG#) (segid "   C" and resid    8 and name   HN)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   33 and name  HG#) 3.478 1.512 1.672 weight 1.000 spectrum  3 peak  1765 ! spec=13CMETHYL, no=1765, id=1605, vol=9.730000e+04
    or (segid "   C" and resid   43 and name  HG#) (segid "   B" and resid    8 and name   HN)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   33 and name  HG#) 3.478 1.512 1.672 weight 1.000 spectrum  3 peak  1765 ! spec=13CMETHYL, no=1765, id=1605, vol=9.730000e+04
    or (segid "   D" and resid   43 and name  HG#) (segid "   A" and resid    8 and name   HN)
assign (segid "   A" and resid   17 and name HG2#) (segid "   D" and resid   19 and name   HN) 3.169 1.256 1.256 weight 1.000 spectrum  3 peak  1774 ! spec=13CMETHYL, no=1774, id=1610, vol=1.700000e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name HG2#)
assign (segid "   B" and resid   17 and name HG2#) (segid "   C" and resid   19 and name   HN) 3.169 1.256 1.256 weight 1.000 spectrum  3 peak  1774 ! spec=13CMETHYL, no=1774, id=1610, vol=1.700000e+05
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name HG2#)
assign (segid "   C" and resid   17 and name HG2#) (segid "   B" and resid   19 and name   HN) 3.169 1.256 1.256 weight 1.000 spectrum  3 peak  1774 ! spec=13CMETHYL, no=1774, id=1610, vol=1.700000e+05
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG2#)
assign (segid "   D" and resid   17 and name HG2#) (segid "   A" and resid   19 and name   HN) 3.169 1.256 1.256 weight 1.000 spectrum  3 peak  1774 ! spec=13CMETHYL, no=1774, id=1610, vol=1.700000e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name HG2#)
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   40 and name   HN) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak  1777 ! spec=13CMETHYL, no=1777, id=1613, vol=1.480000e+05
    or (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   40 and name   HN)
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   40 and name   HN) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak  1777 ! spec=13CMETHYL, no=1777, id=1613, vol=1.480000e+05
    or (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   40 and name   HN)
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   40 and name   HN) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak  1777 ! spec=13CMETHYL, no=1777, id=1613, vol=1.480000e+05
    or (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   40 and name   HN)
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   40 and name   HN) 3.243 1.315 1.315 weight 1.000 spectrum  3 peak  1777 ! spec=13CMETHYL, no=1777, id=1613, vol=1.480000e+05
    or (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   40 and name   HN)
assign (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   11 and name   HN) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1786 ! spec=13CMETHYL, no=1786, id=1622, vol=1.040000e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HG#)
assign (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   11 and name   HN) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1786 ! spec=13CMETHYL, no=1786, id=1622, vol=1.040000e+06
    or (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   13 and name  HG#)
assign (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   11 and name   HN) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1786 ! spec=13CMETHYL, no=1786, id=1622, vol=1.040000e+06
    or (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HG#)
assign (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   11 and name   HN) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1786 ! spec=13CMETHYL, no=1786, id=1622, vol=1.040000e+06
    or (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name  HG#)
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    5 and name   HN) 3.516 1.545 1.545 weight 1.000 spectrum  3 peak  1796 ! spec=13CMETHYL, no=1796, id=1632, vol=9.120000e+04
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    5 and name   HN)
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    5 and name   HN) 3.516 1.545 1.545 weight 1.000 spectrum  3 peak  1796 ! spec=13CMETHYL, no=1796, id=1632, vol=9.120000e+04
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    5 and name   HN)
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    5 and name   HN) 3.516 1.545 1.545 weight 1.000 spectrum  3 peak  1796 ! spec=13CMETHYL, no=1796, id=1632, vol=9.120000e+04
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    5 and name   HN)
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    5 and name   HN) 3.516 1.545 1.545 weight 1.000 spectrum  3 peak  1796 ! spec=13CMETHYL, no=1796, id=1632, vol=9.120000e+04
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    5 and name   HN)
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   12 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1797 ! spec=13CMETHYL, no=1797, id=1633, vol=9.720000e+04
    or (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    5 and name   HN)
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   12 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1797 ! spec=13CMETHYL, no=1797, id=1633, vol=9.720000e+04
    or (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    5 and name   HN)
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   12 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1797 ! spec=13CMETHYL, no=1797, id=1633, vol=9.720000e+04
    or (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    5 and name   HN)
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   12 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1797 ! spec=13CMETHYL, no=1797, id=1633, vol=9.720000e+04
    or (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    5 and name   HN)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   14 and name  HB#) 3.383 3.383 2.617 weight 1.000 spectrum  3 peak  1805 ! spec=13CMETHYL, no=1805, id=1639, vol=1.150000e+05
    or (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid    5 and name   HN)
    or (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   22 and name   HN)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name  HG#)
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   14 and name  HB#) 3.383 3.383 2.617 weight 1.000 spectrum  3 peak  1805 ! spec=13CMETHYL, no=1805, id=1639, vol=1.150000e+05
    or (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid    5 and name   HN)
    or (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   22 and name   HN)
    or (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   13 and name  HG#)
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   14 and name  HB#) 3.383 3.383 2.617 weight 1.000 spectrum  3 peak  1805 ! spec=13CMETHYL, no=1805, id=1639, vol=1.150000e+05
    or (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid    5 and name   HN)
    or (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   22 and name   HN)
    or (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name  HG#)
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   14 and name  HB#) 3.383 3.383 2.617 weight 1.000 spectrum  3 peak  1805 ! spec=13CMETHYL, no=1805, id=1639, vol=1.150000e+05
    or (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid    5 and name   HN)
    or (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   22 and name   HN)
    or (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   13 and name  HG#)
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1826 ! spec=13CMETHYL, no=1826, id=1650, vol=3.350000e+05
    or (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HG#)
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   32 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1826 ! spec=13CMETHYL, no=1826, id=1650, vol=3.350000e+05
    or (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   33 and name  HG#)
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1826 ! spec=13CMETHYL, no=1826, id=1650, vol=3.350000e+05
    or (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HG#)
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1826 ! spec=13CMETHYL, no=1826, id=1650, vol=3.350000e+05
    or (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name  HG#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB#) 3.202 1.281 1.281 weight 1.000 spectrum  3 peak  1843 ! spec=13CMETHYL, no=1843, id=1665, vol=1.600000e+05
    or (segid "   A" and resid    6 and name  HB#) (segid "   B" and resid    7 and name   HN)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB#) 3.202 1.281 1.281 weight 1.000 spectrum  3 peak  1843 ! spec=13CMETHYL, no=1843, id=1665, vol=1.600000e+05
    or (segid "   B" and resid    6 and name  HB#) (segid "   A" and resid    7 and name   HN)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB#) 3.202 1.281 1.281 weight 1.000 spectrum  3 peak  1843 ! spec=13CMETHYL, no=1843, id=1665, vol=1.600000e+05
    or (segid "   C" and resid    6 and name  HB#) (segid "   D" and resid    7 and name   HN)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HB#) 3.202 1.281 1.281 weight 1.000 spectrum  3 peak  1843 ! spec=13CMETHYL, no=1843, id=1665, vol=1.600000e+05
    or (segid "   D" and resid    6 and name  HB#) (segid "   C" and resid    7 and name   HN)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HG) 2.780 2.780 3.220 weight 1.000 spectrum  3 peak  1845 ! spec=13CMETHYL, no=1845, id=1667, vol=3.730000e+05
    or (segid "   A" and resid    7 and name   HG) (segid "   B" and resid    7 and name   HN)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name   HG) 2.780 2.780 3.220 weight 1.000 spectrum  3 peak  1845 ! spec=13CMETHYL, no=1845, id=1667, vol=3.730000e+05
    or (segid "   B" and resid    7 and name   HG) (segid "   A" and resid    7 and name   HN)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name   HG) 2.780 2.780 3.220 weight 1.000 spectrum  3 peak  1845 ! spec=13CMETHYL, no=1845, id=1667, vol=3.730000e+05
    or (segid "   C" and resid    7 and name   HG) (segid "   D" and resid    7 and name   HN)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name   HG) 2.780 2.780 3.220 weight 1.000 spectrum  3 peak  1845 ! spec=13CMETHYL, no=1845, id=1667, vol=3.730000e+05
    or (segid "   D" and resid    7 and name   HG) (segid "   C" and resid    7 and name   HN)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   16 and name  HB#) 3.407 1.451 1.561 weight 1.000 spectrum  4 peak    53 ! spec=15N, no=53, id=7, vol=9.220000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid   22 and name   HN) (segid "   C" and resid   28 and name  HE#)
    or (segid "   A" and resid   22 and name   HN) (segid "   C" and resid   43 and name  HG#)
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   16 and name  HB#) 3.407 1.451 1.561 weight 1.000 spectrum  4 peak    53 ! spec=15N, no=53, id=7, vol=9.220000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid   22 and name   HN) (segid "   D" and resid   28 and name  HE#)
    or (segid "   B" and resid   22 and name   HN) (segid "   D" and resid   43 and name  HG#)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   16 and name  HB#) 3.407 1.451 1.561 weight 1.000 spectrum  4 peak    53 ! spec=15N, no=53, id=7, vol=9.220000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid   22 and name   HN) (segid "   A" and resid   28 and name  HE#)
    or (segid "   C" and resid   22 and name   HN) (segid "   A" and resid   43 and name  HG#)
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   16 and name  HB#) 3.407 1.451 1.561 weight 1.000 spectrum  4 peak    53 ! spec=15N, no=53, id=7, vol=9.220000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid   22 and name   HN) (segid "   B" and resid   28 and name  HE#)
    or (segid "   D" and resid   22 and name   HN) (segid "   B" and resid   43 and name  HG#)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak    54 ! spec=15N, no=54, id=8, vol=4.240000e+06
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB#)
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak    54 ! spec=15N, no=54, id=8, vol=4.240000e+06
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HB#)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak    54 ! spec=15N, no=54, id=8, vol=4.240000e+06
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB#)
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak    54 ! spec=15N, no=54, id=8, vol=4.240000e+06
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HB#)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name  HD#) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak    55 ! spec=15N, no=55, id=9, vol=7.290000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG#)
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   20 and name  HD#) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak    55 ! spec=15N, no=55, id=9, vol=7.290000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HG#)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   20 and name  HD#) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak    55 ! spec=15N, no=55, id=9, vol=7.290000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HG#)
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   20 and name  HD#) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak    55 ! spec=15N, no=55, id=9, vol=7.290000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HG#)
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.547 1.573 1.573 weight 1.000 spectrum  4 peak    58 ! spec=15N, no=58, id=12, vol=7.240000e+05
    or (segid "   A" and resid   22 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   22 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.547 1.573 1.573 weight 1.000 spectrum  4 peak    58 ! spec=15N, no=58, id=12, vol=7.240000e+05
    or (segid "   B" and resid   22 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   22 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.547 1.573 1.573 weight 1.000 spectrum  4 peak    58 ! spec=15N, no=58, id=12, vol=7.240000e+05
    or (segid "   C" and resid   22 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   22 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.547 1.573 1.573 weight 1.000 spectrum  4 peak    58 ! spec=15N, no=58, id=12, vol=7.240000e+05
    or (segid "   D" and resid   22 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   22 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HA) 3.499 1.531 1.662 weight 1.000 spectrum  4 peak    82 ! spec=15N, no=82, id=34, vol=7.860000e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HA)
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    2 and name   HA) 3.499 1.531 1.662 weight 1.000 spectrum  4 peak    82 ! spec=15N, no=82, id=34, vol=7.860000e+05
    or (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    5 and name   HA)
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    2 and name   HA) 3.499 1.531 1.662 weight 1.000 spectrum  4 peak    82 ! spec=15N, no=82, id=34, vol=7.860000e+05
    or (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    5 and name   HA)
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    2 and name   HA) 3.499 1.531 1.662 weight 1.000 spectrum  4 peak    82 ! spec=15N, no=82, id=34, vol=7.860000e+05
    or (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    5 and name   HA)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name  HD#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak    85 ! spec=15N, no=85, id=36, vol=7.070000e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name  HE#)
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    5 and name  HD#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak    85 ! spec=15N, no=85, id=36, vol=7.070000e+05
    or (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    5 and name  HE#)
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    5 and name  HD#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak    85 ! spec=15N, no=85, id=36, vol=7.070000e+05
    or (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    5 and name  HE#)
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    5 and name  HD#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak    85 ! spec=15N, no=85, id=36, vol=7.070000e+05
    or (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    5 and name  HE#)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  4 peak    93 ! spec=15N, no=93, id=44, vol=3.410000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   15 and name  HD#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    6 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  4 peak    93 ! spec=15N, no=93, id=44, vol=3.410000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   15 and name  HD#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    6 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  4 peak    93 ! spec=15N, no=93, id=44, vol=3.410000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   15 and name  HD#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    6 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  4 peak    93 ! spec=15N, no=93, id=44, vol=3.410000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   15 and name  HD#)
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    8 and name HE2#) 4.592 2.635 2.635 weight 1.000 spectrum  4 peak    95 ! spec=15N, no=95, id=46, vol=1.540000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   15 and name  HE#)
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    8 and name HE2#) 4.592 2.635 2.635 weight 1.000 spectrum  4 peak    95 ! spec=15N, no=95, id=46, vol=1.540000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   15 and name  HE#)
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    8 and name HE2#) 4.592 2.635 2.635 weight 1.000 spectrum  4 peak    95 ! spec=15N, no=95, id=46, vol=1.540000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   15 and name  HE#)
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    8 and name HE2#) 4.592 2.635 2.635 weight 1.000 spectrum  4 peak    95 ! spec=15N, no=95, id=46, vol=1.540000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   15 and name  HE#)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   104 ! spec=15N, no=104, id=55, vol=2.910000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    3 and name  HB#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   104 ! spec=15N, no=104, id=55, vol=2.910000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    3 and name  HB#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   104 ! spec=15N, no=104, id=55, vol=2.910000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    3 and name  HB#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   104 ! spec=15N, no=104, id=55, vol=2.910000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    8 and name  HB#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   107 ! spec=15N, no=107, id=58, vol=7.620000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    9 and name   HB)
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    8 and name  HB#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   107 ! spec=15N, no=107, id=58, vol=7.620000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    9 and name   HB)
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    8 and name  HB#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   107 ! spec=15N, no=107, id=58, vol=7.620000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    9 and name   HB)
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    8 and name  HB#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   107 ! spec=15N, no=107, id=58, vol=7.620000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    9 and name   HB)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    7 and name   HG) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   108 ! spec=15N, no=108, id=59, vol=2.320000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   10 and name  HB#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    7 and name   HG) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   108 ! spec=15N, no=108, id=59, vol=2.320000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   10 and name  HB#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    7 and name   HG) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   108 ! spec=15N, no=108, id=59, vol=2.320000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   10 and name  HB#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    7 and name   HG) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   108 ! spec=15N, no=108, id=59, vol=2.320000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   10 and name  HB#)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    7 and name  HB#) 4.314 2.326 2.326 weight 1.000 spectrum  4 peak   109 ! spec=15N, no=109, id=60, vol=2.240000e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   10 and name  HG#)
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    7 and name  HB#) 4.314 2.326 2.326 weight 1.000 spectrum  4 peak   109 ! spec=15N, no=109, id=60, vol=2.240000e+05
    or (segid "   B" and resid    5 and name   HN) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   10 and name  HG#)
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    7 and name  HB#) 4.314 2.326 2.326 weight 1.000 spectrum  4 peak   109 ! spec=15N, no=109, id=60, vol=2.240000e+05
    or (segid "   C" and resid    5 and name   HN) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   10 and name  HG#)
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    7 and name  HB#) 4.314 2.326 2.326 weight 1.000 spectrum  4 peak   109 ! spec=15N, no=109, id=60, vol=2.240000e+05
    or (segid "   D" and resid    5 and name   HN) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   10 and name  HG#)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HG) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   120 ! spec=15N, no=120, id=69, vol=2.450000e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    8 and name  HB#)
    or (segid "   A" and resid    6 and name   HN) (segid "   B" and resid    7 and name   HG)
    or (segid "   A" and resid    6 and name   HN) (segid "   B" and resid    8 and name  HB#)
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    7 and name   HG) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   120 ! spec=15N, no=120, id=69, vol=2.450000e+05
    or (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    8 and name  HB#)
    or (segid "   B" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HG)
    or (segid "   B" and resid    6 and name   HN) (segid "   A" and resid    8 and name  HB#)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    7 and name   HG) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   120 ! spec=15N, no=120, id=69, vol=2.450000e+05
    or (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    8 and name  HB#)
    or (segid "   C" and resid    6 and name   HN) (segid "   D" and resid    7 and name   HG)
    or (segid "   C" and resid    6 and name   HN) (segid "   D" and resid    8 and name  HB#)
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    7 and name   HG) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   120 ! spec=15N, no=120, id=69, vol=2.450000e+05
    or (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    8 and name  HB#)
    or (segid "   D" and resid    6 and name   HN) (segid "   C" and resid    7 and name   HG)
    or (segid "   D" and resid    6 and name   HN) (segid "   C" and resid    8 and name  HB#)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name  HB#) 4.301 2.312 2.312 weight 1.000 spectrum  4 peak   123 ! spec=15N, no=123, id=72, vol=2.280000e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   B" and resid   15 and name  HB#)
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    3 and name  HB#) 4.301 2.312 2.312 weight 1.000 spectrum  4 peak   123 ! spec=15N, no=123, id=72, vol=2.280000e+05
    or (segid "   B" and resid    6 and name   HN) (segid "   A" and resid   15 and name  HB#)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    3 and name  HB#) 4.301 2.312 2.312 weight 1.000 spectrum  4 peak   123 ! spec=15N, no=123, id=72, vol=2.280000e+05
    or (segid "   C" and resid    6 and name   HN) (segid "   D" and resid   15 and name  HB#)
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    3 and name  HB#) 4.301 2.312 2.312 weight 1.000 spectrum  4 peak   123 ! spec=15N, no=123, id=72, vol=2.280000e+05
    or (segid "   D" and resid    6 and name   HN) (segid "   C" and resid   15 and name  HB#)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HE#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak   129 ! spec=15N, no=129, id=78, vol=7.070000e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   B" and resid   15 and name  HD#)
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HE#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak   129 ! spec=15N, no=129, id=78, vol=7.070000e+05
    or (segid "   B" and resid    6 and name   HN) (segid "   A" and resid   15 and name  HD#)
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HE#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak   129 ! spec=15N, no=129, id=78, vol=7.070000e+05
    or (segid "   C" and resid    6 and name   HN) (segid "   D" and resid   15 and name  HD#)
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name  HE#) 3.562 1.586 1.586 weight 1.000 spectrum  4 peak   129 ! spec=15N, no=129, id=78, vol=7.070000e+05
    or (segid "   D" and resid    6 and name   HN) (segid "   C" and resid   15 and name  HD#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   134 ! spec=15N, no=134, id=83, vol=6.820000e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    8 and name   HN)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    8 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   134 ! spec=15N, no=134, id=83, vol=6.820000e+05
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HN)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    8 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   134 ! spec=15N, no=134, id=83, vol=6.820000e+05
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    8 and name   HN)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    8 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   134 ! spec=15N, no=134, id=83, vol=6.820000e+05
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    8 and name   HN)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HG#) 3.872 1.874 1.874 weight 1.000 spectrum  4 peak   144 ! spec=15N, no=144, id=93, vol=4.280000e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    8 and name  HG#)
    or (segid "   A" and resid    7 and name   HN) (segid "   B" and resid   19 and name  HE#)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    8 and name  HG#) 3.872 1.874 1.874 weight 1.000 spectrum  4 peak   144 ! spec=15N, no=144, id=93, vol=4.280000e+05
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    8 and name  HG#)
    or (segid "   B" and resid    7 and name   HN) (segid "   A" and resid   19 and name  HE#)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    8 and name  HG#) 3.872 1.874 1.874 weight 1.000 spectrum  4 peak   144 ! spec=15N, no=144, id=93, vol=4.280000e+05
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    8 and name  HG#)
    or (segid "   C" and resid    7 and name   HN) (segid "   D" and resid   19 and name  HE#)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    8 and name  HG#) 3.872 1.874 1.874 weight 1.000 spectrum  4 peak   144 ! spec=15N, no=144, id=93, vol=4.280000e+05
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    8 and name  HG#)
    or (segid "   D" and resid    7 and name   HN) (segid "   C" and resid   19 and name  HE#)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name HE2#) 3.877 1.879 1.879 weight 1.000 spectrum  4 peak   151 ! spec=15N, no=151, id=98, vol=4.250000e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   15 and name  HE#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name HE2#) 3.877 1.879 1.879 weight 1.000 spectrum  4 peak   151 ! spec=15N, no=151, id=98, vol=4.250000e+05
    or (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   15 and name  HE#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name HE2#) 3.877 1.879 1.879 weight 1.000 spectrum  4 peak   151 ! spec=15N, no=151, id=98, vol=4.250000e+05
    or (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   15 and name  HE#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name HE2#) 3.877 1.879 1.879 weight 1.000 spectrum  4 peak   151 ! spec=15N, no=151, id=98, vol=4.250000e+05
    or (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   15 and name  HE#)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HN) 3.466 1.501 1.501 weight 1.000 spectrum  4 peak   153 ! spec=15N, no=153, id=100, vol=8.330000e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    7 and name   HN)
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    8 and name   HN) 3.466 1.501 1.501 weight 1.000 spectrum  4 peak   153 ! spec=15N, no=153, id=100, vol=8.330000e+05
    or (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HN)
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    8 and name   HN) 3.466 1.501 1.501 weight 1.000 spectrum  4 peak   153 ! spec=15N, no=153, id=100, vol=8.330000e+05
    or (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    7 and name   HN)
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    8 and name   HN) 3.466 1.501 1.501 weight 1.000 spectrum  4 peak   153 ! spec=15N, no=153, id=100, vol=8.330000e+05
    or (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    7 and name   HN)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   161 ! spec=15N, no=161, id=108, vol=2.270000e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   19 and name  HE#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   161 ! spec=15N, no=161, id=108, vol=2.270000e+06
    or (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   19 and name  HE#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   161 ! spec=15N, no=161, id=108, vol=2.270000e+06
    or (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   19 and name  HE#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   161 ! spec=15N, no=161, id=108, vol=2.270000e+06
    or (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   19 and name  HE#)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   164 ! spec=15N, no=164, id=111, vol=2.270000e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   164 ! spec=15N, no=164, id=111, vol=2.270000e+06
    or (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   164 ! spec=15N, no=164, id=111, vol=2.270000e+06
    or (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.932 1.075 1.075 weight 1.000 spectrum  4 peak   164 ! spec=15N, no=164, id=111, vol=2.270000e+06
    or (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HG#) 2.980 1.110 1.110 weight 1.000 spectrum  4 peak   180 ! spec=15N, no=180, id=125, vol=2.060000e+06
    or (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name  HG#) 2.980 1.110 1.110 weight 1.000 spectrum  4 peak   180 ! spec=15N, no=180, id=125, vol=2.060000e+06
    or (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HG#) 2.980 1.110 1.110 weight 1.000 spectrum  4 peak   180 ! spec=15N, no=180, id=125, vol=2.060000e+06
    or (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name  HG#) 2.980 1.110 1.110 weight 1.000 spectrum  4 peak   180 ! spec=15N, no=180, id=125, vol=2.060000e+06
    or (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name  HG#) 4.235 2.242 2.242 weight 1.000 spectrum  4 peak   192 ! spec=15N, no=192, id=135, vol=2.500000e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   B" and resid   26 and name  HB#)
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    8 and name  HG#) 4.235 2.242 2.242 weight 1.000 spectrum  4 peak   192 ! spec=15N, no=192, id=135, vol=2.500000e+05
    or (segid "   B" and resid   10 and name   HN) (segid "   A" and resid   26 and name  HB#)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    8 and name  HG#) 4.235 2.242 2.242 weight 1.000 spectrum  4 peak   192 ! spec=15N, no=192, id=135, vol=2.500000e+05
    or (segid "   C" and resid   10 and name   HN) (segid "   D" and resid   26 and name  HB#)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    8 and name  HG#) 4.235 2.242 2.242 weight 1.000 spectrum  4 peak   192 ! spec=15N, no=192, id=135, vol=2.500000e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   C" and resid   26 and name  HB#)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG#) 3.429 1.470 1.470 weight 1.000 spectrum  4 peak   195 ! spec=15N, no=195, id=138, vol=8.870000e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   B" and resid   22 and name  HG#)
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HG#) 3.429 1.470 1.470 weight 1.000 spectrum  4 peak   195 ! spec=15N, no=195, id=138, vol=8.870000e+05
    or (segid "   B" and resid   10 and name   HN) (segid "   A" and resid   22 and name  HG#)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HG#) 3.429 1.470 1.470 weight 1.000 spectrum  4 peak   195 ! spec=15N, no=195, id=138, vol=8.870000e+05
    or (segid "   C" and resid   10 and name   HN) (segid "   D" and resid   22 and name  HG#)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HG#) 3.429 1.470 1.470 weight 1.000 spectrum  4 peak   195 ! spec=15N, no=195, id=138, vol=8.870000e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   C" and resid   22 and name  HG#)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD#) 4.151 2.154 2.154 weight 1.000 spectrum  4 peak   197 ! spec=15N, no=197, id=140, vol=2.820000e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   B" and resid   22 and name  HE#)
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HD#) 4.151 2.154 2.154 weight 1.000 spectrum  4 peak   197 ! spec=15N, no=197, id=140, vol=2.820000e+05
    or (segid "   B" and resid   10 and name   HN) (segid "   A" and resid   22 and name  HE#)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HD#) 4.151 2.154 2.154 weight 1.000 spectrum  4 peak   197 ! spec=15N, no=197, id=140, vol=2.820000e+05
    or (segid "   C" and resid   10 and name   HN) (segid "   D" and resid   22 and name  HE#)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HD#) 4.151 2.154 2.154 weight 1.000 spectrum  4 peak   197 ! spec=15N, no=197, id=140, vol=2.820000e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   C" and resid   22 and name  HE#)
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   14 and name   HA) 4.567 2.607 2.607 weight 1.000 spectrum  4 peak   199 ! spec=15N, no=199, id=142, vol=1.590000e+05
    or (segid "   A" and resid   10 and name   HN) (segid "   D" and resid   47 and name   HA)
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   14 and name   HA) 4.567 2.607 2.607 weight 1.000 spectrum  4 peak   199 ! spec=15N, no=199, id=142, vol=1.590000e+05
    or (segid "   B" and resid   10 and name   HN) (segid "   C" and resid   47 and name   HA)
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   14 and name   HA) 4.567 2.607 2.607 weight 1.000 spectrum  4 peak   199 ! spec=15N, no=199, id=142, vol=1.590000e+05
    or (segid "   C" and resid   10 and name   HN) (segid "   B" and resid   47 and name   HA)
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   14 and name   HA) 4.567 2.607 2.607 weight 1.000 spectrum  4 peak   199 ! spec=15N, no=199, id=142, vol=1.590000e+05
    or (segid "   D" and resid   10 and name   HN) (segid "   A" and resid   47 and name   HA)
assign (segid "   A" and resid   11 and name   HN) (segid "   B" and resid    5 and name  HD#) 3.008 1.131 1.131 weight 1.000 spectrum  4 peak   203 ! spec=15N, no=203, id=145, vol=1.950000e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   B" and resid    5 and name  HE#)
assign (segid "   B" and resid   11 and name   HN) (segid "   A" and resid    5 and name  HD#) 3.008 1.131 1.131 weight 1.000 spectrum  4 peak   203 ! spec=15N, no=203, id=145, vol=1.950000e+06
    or (segid "   B" and resid   11 and name   HN) (segid "   A" and resid    5 and name  HE#)
assign (segid "   C" and resid   11 and name   HN) (segid "   D" and resid    5 and name  HD#) 3.008 1.131 1.131 weight 1.000 spectrum  4 peak   203 ! spec=15N, no=203, id=145, vol=1.950000e+06
    or (segid "   C" and resid   11 and name   HN) (segid "   D" and resid    5 and name  HE#)
assign (segid "   D" and resid   11 and name   HN) (segid "   C" and resid    5 and name  HD#) 3.008 1.131 1.131 weight 1.000 spectrum  4 peak   203 ! spec=15N, no=203, id=145, vol=1.950000e+06
    or (segid "   D" and resid   11 and name   HN) (segid "   C" and resid    5 and name  HE#)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  4 peak   211 ! spec=15N, no=211, id=152, vol=1.080000e+06
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  4 peak   211 ! spec=15N, no=211, id=152, vol=1.080000e+06
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  4 peak   211 ! spec=15N, no=211, id=152, vol=1.080000e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HG#) 3.319 1.377 1.377 weight 1.000 spectrum  4 peak   211 ! spec=15N, no=211, id=152, vol=1.080000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HG#) 2.790 0.973 0.973 weight 1.000 spectrum  4 peak   253 ! spec=15N, no=253, id=192, vol=3.060000e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name  HG#) 2.790 0.973 0.973 weight 1.000 spectrum  4 peak   253 ! spec=15N, no=253, id=192, vol=3.060000e+06
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name  HB#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name  HG#) 2.790 0.973 0.973 weight 1.000 spectrum  4 peak   253 ! spec=15N, no=253, id=192, vol=3.060000e+06
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HG#) 2.790 0.973 0.973 weight 1.000 spectrum  4 peak   253 ! spec=15N, no=253, id=192, vol=3.060000e+06
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name  HB#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB#) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   254 ! spec=15N, no=254, id=193, vol=3.400000e+06
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name  HB#) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   254 ! spec=15N, no=254, id=193, vol=3.400000e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name  HB#) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   254 ! spec=15N, no=254, id=193, vol=3.400000e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HB#) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   254 ! spec=15N, no=254, id=193, vol=3.400000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB#) 3.603 1.622 1.622 weight 1.000 spectrum  4 peak   255 ! spec=15N, no=255, id=194, vol=6.600000e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   12 and name  HB#) 3.603 1.622 1.622 weight 1.000 spectrum  4 peak   255 ! spec=15N, no=255, id=194, vol=6.600000e+05
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name   HB)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   12 and name  HB#) 3.603 1.622 1.622 weight 1.000 spectrum  4 peak   255 ! spec=15N, no=255, id=194, vol=6.600000e+05
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   12 and name  HB#) 3.603 1.622 1.622 weight 1.000 spectrum  4 peak   255 ! spec=15N, no=255, id=194, vol=6.600000e+05
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name   HB)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   12 and name  HB#) 3.498 1.529 1.529 weight 1.000 spectrum  4 peak   258 ! spec=15N, no=258, id=196, vol=7.880000e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   13 and name  HB#)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name  HB#)
    or (segid "   A" and resid   15 and name   HN) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   12 and name  HB#) 3.498 1.529 1.529 weight 1.000 spectrum  4 peak   258 ! spec=15N, no=258, id=196, vol=7.880000e+05
    or (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   13 and name  HB#)
    or (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   16 and name  HB#)
    or (segid "   B" and resid   15 and name   HN) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   12 and name  HB#) 3.498 1.529 1.529 weight 1.000 spectrum  4 peak   258 ! spec=15N, no=258, id=196, vol=7.880000e+05
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   13 and name  HB#)
    or (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   16 and name  HB#)
    or (segid "   C" and resid   15 and name   HN) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   12 and name  HB#) 3.498 1.529 1.529 weight 1.000 spectrum  4 peak   258 ! spec=15N, no=258, id=196, vol=7.880000e+05
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   13 and name  HB#)
    or (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   16 and name  HB#)
    or (segid "   D" and resid   15 and name   HN) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.755 0.949 0.949 weight 1.000 spectrum  4 peak   287 ! spec=15N, no=287, id=225, vol=3.300000e+06
    or (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   A" and resid   17 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.755 0.949 0.949 weight 1.000 spectrum  4 peak   287 ! spec=15N, no=287, id=225, vol=3.300000e+06
    or (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   B" and resid   17 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.755 0.949 0.949 weight 1.000 spectrum  4 peak   287 ! spec=15N, no=287, id=225, vol=3.300000e+06
    or (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   C" and resid   17 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.755 0.949 0.949 weight 1.000 spectrum  4 peak   287 ! spec=15N, no=287, id=225, vol=3.300000e+06
    or (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   D" and resid   17 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB#) 2.472 0.764 0.764 weight 1.000 spectrum  4 peak   300 ! spec=15N, no=300, id=237, vol=6.330000e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HG)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name  HB#) 2.472 0.764 0.764 weight 1.000 spectrum  4 peak   300 ! spec=15N, no=300, id=237, vol=6.330000e+06
    or (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name   HG)
    or (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB#) 2.472 0.764 0.764 weight 1.000 spectrum  4 peak   300 ! spec=15N, no=300, id=237, vol=6.330000e+06
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name   HG)
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name  HB#) 2.472 0.764 0.764 weight 1.000 spectrum  4 peak   300 ! spec=15N, no=300, id=237, vol=6.330000e+06
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   301 ! spec=15N, no=301, id=238, vol=3.870000e+05
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name   HG)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name  HB#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   301 ! spec=15N, no=301, id=238, vol=3.870000e+05
    or (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   21 and name   HG)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name  HB#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   301 ! spec=15N, no=301, id=238, vol=3.870000e+05
    or (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   21 and name   HG)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name  HB#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   301 ! spec=15N, no=301, id=238, vol=3.870000e+05
    or (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   21 and name   HG)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   305 ! spec=15N, no=305, id=241, vol=1.210000e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   19 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   305 ! spec=15N, no=305, id=241, vol=1.210000e+06
    or (segid "   B" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   19 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   305 ! spec=15N, no=305, id=241, vol=1.210000e+06
    or (segid "   C" and resid   19 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   19 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   305 ! spec=15N, no=305, id=241, vol=1.210000e+06
    or (segid "   D" and resid   19 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   19 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   16 and name  HB#) 3.552 1.577 1.577 weight 1.000 spectrum  4 peak   308 ! spec=15N, no=308, id=243, vol=7.190000e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   19 and name   HN) (segid "   B" and resid    5 and name  HB#)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   16 and name  HB#) 3.552 1.577 1.577 weight 1.000 spectrum  4 peak   308 ! spec=15N, no=308, id=243, vol=7.190000e+05
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   19 and name   HN) (segid "   A" and resid    5 and name  HB#)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   16 and name  HB#) 3.552 1.577 1.577 weight 1.000 spectrum  4 peak   308 ! spec=15N, no=308, id=243, vol=7.190000e+05
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   19 and name   HN) (segid "   D" and resid    5 and name  HB#)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   16 and name  HB#) 3.552 1.577 1.577 weight 1.000 spectrum  4 peak   308 ! spec=15N, no=308, id=243, vol=7.190000e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   19 and name   HN) (segid "   C" and resid    5 and name  HB#)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  4 peak   309 ! spec=15N, no=309, id=244, vol=3.460000e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG#)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name  HB#)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  4 peak   309 ! spec=15N, no=309, id=244, vol=3.460000e+06
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HG#)
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   20 and name  HB#)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  4 peak   309 ! spec=15N, no=309, id=244, vol=3.460000e+06
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HG#)
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   20 and name  HB#)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name   HB) 2.733 0.934 0.934 weight 1.000 spectrum  4 peak   309 ! spec=15N, no=309, id=244, vol=3.460000e+06
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HG#)
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   20 and name  HB#)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB#) 2.911 1.059 1.059 weight 1.000 spectrum  4 peak   310 ! spec=15N, no=310, id=245, vol=2.370000e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   B" and resid    7 and name   HG)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   18 and name  HB#) 2.911 1.059 1.059 weight 1.000 spectrum  4 peak   310 ! spec=15N, no=310, id=245, vol=2.370000e+06
    or (segid "   B" and resid   19 and name   HN) (segid "   A" and resid    7 and name   HG)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HB#) 2.911 1.059 1.059 weight 1.000 spectrum  4 peak   310 ! spec=15N, no=310, id=245, vol=2.370000e+06
    or (segid "   C" and resid   19 and name   HN) (segid "   D" and resid    7 and name   HG)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB#) 2.911 1.059 1.059 weight 1.000 spectrum  4 peak   310 ! spec=15N, no=310, id=245, vol=2.370000e+06
    or (segid "   D" and resid   19 and name   HN) (segid "   C" and resid    7 and name   HG)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HN) 3.417 1.459 1.459 weight 1.000 spectrum  4 peak   317 ! spec=15N, no=317, id=252, vol=9.070000e+05
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   21 and name   HN)
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name   HN) 3.417 1.459 1.459 weight 1.000 spectrum  4 peak   317 ! spec=15N, no=317, id=252, vol=9.070000e+05
    or (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   21 and name   HN)
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HN) 3.417 1.459 1.459 weight 1.000 spectrum  4 peak   317 ! spec=15N, no=317, id=252, vol=9.070000e+05
    or (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   21 and name   HN)
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name   HN) 3.417 1.459 1.459 weight 1.000 spectrum  4 peak   317 ! spec=15N, no=317, id=252, vol=9.070000e+05
    or (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   21 and name   HN)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name   HN) 3.646 1.662 1.662 weight 1.000 spectrum  4 peak   326 ! spec=15N, no=326, id=261, vol=6.140000e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   23 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   20 and name   HN) 3.646 1.662 1.662 weight 1.000 spectrum  4 peak   326 ! spec=15N, no=326, id=261, vol=6.140000e+05
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   23 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   20 and name   HN) 3.646 1.662 1.662 weight 1.000 spectrum  4 peak   326 ! spec=15N, no=326, id=261, vol=6.140000e+05
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   23 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   20 and name   HN) 3.646 1.662 1.662 weight 1.000 spectrum  4 peak   326 ! spec=15N, no=326, id=261, vol=6.140000e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   23 and name   HN)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.624 0.861 0.861 weight 1.000 spectrum  4 peak   328 ! spec=15N, no=328, id=263, vol=4.420000e+06
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name   HA)
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name   HA) 2.624 0.861 0.861 weight 1.000 spectrum  4 peak   328 ! spec=15N, no=328, id=263, vol=4.420000e+06
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   20 and name   HA)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name   HA) 2.624 0.861 0.861 weight 1.000 spectrum  4 peak   328 ! spec=15N, no=328, id=263, vol=4.420000e+06
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name   HA)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name   HA) 2.624 0.861 0.861 weight 1.000 spectrum  4 peak   328 ! spec=15N, no=328, id=263, vol=4.420000e+06
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name   HA)
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name  HB#) 3.993 1.993 1.993 weight 1.000 spectrum  4 peak   337 ! spec=15N, no=337, id=272, vol=3.560000e+05
    or (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   18 and name  HB#) 3.993 1.993 1.993 weight 1.000 spectrum  4 peak   337 ! spec=15N, no=337, id=272, vol=3.560000e+05
    or (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   18 and name  HB#) 3.993 1.993 1.993 weight 1.000 spectrum  4 peak   337 ! spec=15N, no=337, id=272, vol=3.560000e+05
    or (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   18 and name  HB#) 3.993 1.993 1.993 weight 1.000 spectrum  4 peak   337 ! spec=15N, no=337, id=272, vol=3.560000e+05
    or (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   21 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   341 ! spec=15N, no=341, id=275, vol=1.050000e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   21 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   341 ! spec=15N, no=341, id=275, vol=1.050000e+06
    or (segid "   B" and resid   21 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   21 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   341 ! spec=15N, no=341, id=275, vol=1.050000e+06
    or (segid "   C" and resid   21 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   21 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   341 ! spec=15N, no=341, id=275, vol=1.050000e+06
    or (segid "   D" and resid   21 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   344 ! spec=15N, no=344, id=277, vol=3.870000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   25 and name  HB#)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   344 ! spec=15N, no=344, id=277, vol=3.870000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   25 and name  HB#)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   344 ! spec=15N, no=344, id=277, vol=3.870000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   25 and name  HB#)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HG#) 3.938 1.938 1.938 weight 1.000 spectrum  4 peak   344 ! spec=15N, no=344, id=277, vol=3.870000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   25 and name  HB#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name  HB#) 3.661 1.676 1.676 weight 1.000 spectrum  4 peak   345 ! spec=15N, no=345, id=278, vol=5.990000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   23 and name  HB#)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   22 and name  HB#) 3.661 1.676 1.676 weight 1.000 spectrum  4 peak   345 ! spec=15N, no=345, id=278, vol=5.990000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   23 and name  HB#)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name  HB#) 3.661 1.676 1.676 weight 1.000 spectrum  4 peak   345 ! spec=15N, no=345, id=278, vol=5.990000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   23 and name  HB#)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   22 and name  HB#) 3.661 1.676 1.676 weight 1.000 spectrum  4 peak   345 ! spec=15N, no=345, id=278, vol=5.990000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   23 and name  HB#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.608 2.608 3.392 weight 1.000 spectrum  4 peak   346 ! spec=15N, no=346, id=279, vol=4.590000e+06
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HE#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   28 and name  HE#)
    or (segid "   A" and resid   21 and name   HN) (segid "   C" and resid   28 and name  HE#)
    or (segid "   A" and resid   21 and name   HN) (segid "   C" and resid   43 and name  HG#)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.608 2.608 3.392 weight 1.000 spectrum  4 peak   346 ! spec=15N, no=346, id=279, vol=4.590000e+06
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   19 and name  HE#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   28 and name  HE#)
    or (segid "   B" and resid   21 and name   HN) (segid "   D" and resid   28 and name  HE#)
    or (segid "   B" and resid   21 and name   HN) (segid "   D" and resid   43 and name  HG#)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.608 2.608 3.392 weight 1.000 spectrum  4 peak   346 ! spec=15N, no=346, id=279, vol=4.590000e+06
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   19 and name  HE#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   28 and name  HE#)
    or (segid "   C" and resid   21 and name   HN) (segid "   A" and resid   28 and name  HE#)
    or (segid "   C" and resid   21 and name   HN) (segid "   A" and resid   43 and name  HG#)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.608 2.608 3.392 weight 1.000 spectrum  4 peak   346 ! spec=15N, no=346, id=279, vol=4.590000e+06
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   19 and name  HE#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   28 and name  HE#)
    or (segid "   D" and resid   21 and name   HN) (segid "   B" and resid   28 and name  HE#)
    or (segid "   D" and resid   21 and name   HN) (segid "   B" and resid   43 and name  HG#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   19 and name  HB#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   349 ! spec=15N, no=349, id=282, vol=4.200000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD#)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   19 and name  HB#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   349 ! spec=15N, no=349, id=282, vol=4.200000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HD#)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   19 and name  HB#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   349 ! spec=15N, no=349, id=282, vol=4.200000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HD#)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   19 and name  HB#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   349 ! spec=15N, no=349, id=282, vol=4.200000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HD#)
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   17 and name   HA) 3.662 1.677 1.677 weight 1.000 spectrum  4 peak   353 ! spec=15N, no=353, id=286, vol=5.980000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   22 and name   HA)
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   17 and name   HA) 3.662 1.677 1.677 weight 1.000 spectrum  4 peak   353 ! spec=15N, no=353, id=286, vol=5.980000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   22 and name   HA)
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   17 and name   HA) 3.662 1.677 1.677 weight 1.000 spectrum  4 peak   353 ! spec=15N, no=353, id=286, vol=5.980000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   22 and name   HA)
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   17 and name   HA) 3.662 1.677 1.677 weight 1.000 spectrum  4 peak   353 ! spec=15N, no=353, id=286, vol=5.980000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   22 and name   HA)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   21 and name   HN) 3.739 1.748 1.748 weight 1.000 spectrum  4 peak   358 ! spec=15N, no=358, id=291, vol=5.280000e+05
    or (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   23 and name   HN)
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   21 and name   HN) 3.739 1.748 1.748 weight 1.000 spectrum  4 peak   358 ! spec=15N, no=358, id=291, vol=5.280000e+05
    or (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   23 and name   HN)
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   21 and name   HN) 3.739 1.748 1.748 weight 1.000 spectrum  4 peak   358 ! spec=15N, no=358, id=291, vol=5.280000e+05
    or (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   23 and name   HN)
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   21 and name   HN) 3.739 1.748 1.748 weight 1.000 spectrum  4 peak   358 ! spec=15N, no=358, id=291, vol=5.280000e+05
    or (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   23 and name   HN)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid    4 and name HG2#) 2.701 2.701 3.299 weight 1.000 spectrum  4 peak   362 ! spec=15N, no=362, id=295, vol=3.720000e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   23 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid    4 and name HG2#) 2.701 2.701 3.299 weight 1.000 spectrum  4 peak   362 ! spec=15N, no=362, id=295, vol=3.720000e+06
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   23 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid    4 and name HG2#) 2.701 2.701 3.299 weight 1.000 spectrum  4 peak   362 ! spec=15N, no=362, id=295, vol=3.720000e+06
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   23 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid    4 and name HG2#) 2.701 2.701 3.299 weight 1.000 spectrum  4 peak   362 ! spec=15N, no=362, id=295, vol=3.720000e+06
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   23 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HG) 2.472 0.764 1.745 weight 1.000 spectrum  4 peak   363 ! spec=15N, no=363, id=296, vol=6.320000e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name  HB#)
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name   HG) 2.472 0.764 1.745 weight 1.000 spectrum  4 peak   363 ! spec=15N, no=363, id=296, vol=6.320000e+06
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name  HB#)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name   HG) 2.472 0.764 1.745 weight 1.000 spectrum  4 peak   363 ! spec=15N, no=363, id=296, vol=6.320000e+06
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name  HB#)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name   HG) 2.472 0.764 1.745 weight 1.000 spectrum  4 peak   363 ! spec=15N, no=363, id=296, vol=6.320000e+06
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name  HB#)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.040 1.155 1.155 weight 1.000 spectrum  4 peak   365 ! spec=15N, no=365, id=298, vol=1.830000e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HG#)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.040 1.155 1.155 weight 1.000 spectrum  4 peak   365 ! spec=15N, no=365, id=298, vol=1.830000e+06
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name  HG#)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.040 1.155 1.155 weight 1.000 spectrum  4 peak   365 ! spec=15N, no=365, id=298, vol=1.830000e+06
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HG#)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.040 1.155 1.155 weight 1.000 spectrum  4 peak   365 ! spec=15N, no=365, id=298, vol=1.830000e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name  HG#)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   367 ! spec=15N, no=367, id=300, vol=7.060000e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   367 ! spec=15N, no=367, id=300, vol=7.060000e+06
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   367 ! spec=15N, no=367, id=300, vol=7.060000e+06
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   367 ! spec=15N, no=367, id=300, vol=7.060000e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   20 and name  HB#) 2.601 0.846 0.846 weight 1.000 spectrum  4 peak   368 ! spec=15N, no=368, id=301, vol=4.660000e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB#)
    or (segid "   A" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HB)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   20 and name  HB#) 2.601 0.846 0.846 weight 1.000 spectrum  4 peak   368 ! spec=15N, no=368, id=301, vol=4.660000e+06
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name  HB#)
    or (segid "   B" and resid   30 and name   HN) (segid "   D" and resid   31 and name   HB)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   20 and name  HB#) 2.601 0.846 0.846 weight 1.000 spectrum  4 peak   368 ! spec=15N, no=368, id=301, vol=4.660000e+06
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB#)
    or (segid "   C" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HB)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   20 and name  HB#) 2.601 0.846 0.846 weight 1.000 spectrum  4 peak   368 ! spec=15N, no=368, id=301, vol=4.660000e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HB#)
    or (segid "   D" and resid   30 and name   HN) (segid "   B" and resid   31 and name   HB)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name   HA) 2.598 0.844 0.844 weight 1.000 spectrum  4 peak   369 ! spec=15N, no=369, id=302, vol=4.690000e+06
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA)
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name   HA) 2.598 0.844 0.844 weight 1.000 spectrum  4 peak   369 ! spec=15N, no=369, id=302, vol=4.690000e+06
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name   HA)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name   HA) 2.598 0.844 0.844 weight 1.000 spectrum  4 peak   369 ! spec=15N, no=369, id=302, vol=4.690000e+06
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name   HA)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name   HA) 2.598 0.844 0.844 weight 1.000 spectrum  4 peak   369 ! spec=15N, no=369, id=302, vol=4.690000e+06
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name   HA)
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA) 3.194 1.275 1.275 weight 1.000 spectrum  4 peak   372 ! spec=15N, no=372, id=305, vol=1.360000e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HA)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HA)
    or (segid "   A" and resid   30 and name   HN) (segid "   C" and resid   28 and name   HA)
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   27 and name   HA) 3.194 1.275 1.275 weight 1.000 spectrum  4 peak   372 ! spec=15N, no=372, id=305, vol=1.360000e+06
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   28 and name   HA)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   31 and name   HA)
    or (segid "   B" and resid   30 and name   HN) (segid "   D" and resid   28 and name   HA)
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   27 and name   HA) 3.194 1.275 1.275 weight 1.000 spectrum  4 peak   372 ! spec=15N, no=372, id=305, vol=1.360000e+06
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   28 and name   HA)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HA)
    or (segid "   C" and resid   30 and name   HN) (segid "   A" and resid   28 and name   HA)
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   27 and name   HA) 3.194 1.275 1.275 weight 1.000 spectrum  4 peak   372 ! spec=15N, no=372, id=305, vol=1.360000e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   28 and name   HA)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   31 and name   HA)
    or (segid "   D" and resid   30 and name   HN) (segid "   B" and resid   28 and name   HA)
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   24 and name  HB#) 3.261 1.329 1.329 weight 1.000 spectrum  4 peak   373 ! spec=15N, no=373, id=306, vol=1.200000e+06
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HA)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   24 and name  HB#) 3.261 1.329 1.329 weight 1.000 spectrum  4 peak   373 ! spec=15N, no=373, id=306, vol=1.200000e+06
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   27 and name   HA)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   24 and name  HB#) 3.261 1.329 1.329 weight 1.000 spectrum  4 peak   373 ! spec=15N, no=373, id=306, vol=1.200000e+06
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   27 and name   HA)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   24 and name  HB#) 3.261 1.329 1.329 weight 1.000 spectrum  4 peak   373 ! spec=15N, no=373, id=306, vol=1.200000e+06
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   27 and name   HA)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   25 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   379 ! spec=15N, no=379, id=312, vol=6.820000e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   26 and name   HN)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   25 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   379 ! spec=15N, no=379, id=312, vol=6.820000e+05
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   26 and name   HN)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   25 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   379 ! spec=15N, no=379, id=312, vol=6.820000e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   26 and name   HN)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   25 and name   HN) 3.583 1.605 1.605 weight 1.000 spectrum  4 peak   379 ! spec=15N, no=379, id=312, vol=6.820000e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   26 and name   HN)
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   380 ! spec=15N, no=380, id=313, vol=4.640000e+05
    or (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   27 and name   HG)
    or (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   380 ! spec=15N, no=380, id=313, vol=4.640000e+05
    or (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   27 and name   HG)
    or (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   380 ! spec=15N, no=380, id=313, vol=4.640000e+05
    or (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   27 and name   HG)
    or (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   380 ! spec=15N, no=380, id=313, vol=4.640000e+05
    or (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   27 and name   HG)
    or (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.445 1.484 1.854 weight 1.000 spectrum  4 peak   381 ! spec=15N, no=381, id=314, vol=8.630000e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   24 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.445 1.484 1.854 weight 1.000 spectrum  4 peak   381 ! spec=15N, no=381, id=314, vol=8.630000e+05
    or (segid "   B" and resid   24 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   24 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.445 1.484 1.854 weight 1.000 spectrum  4 peak   381 ! spec=15N, no=381, id=314, vol=8.630000e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   24 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.445 1.484 1.854 weight 1.000 spectrum  4 peak   381 ! spec=15N, no=381, id=314, vol=8.630000e+05
    or (segid "   D" and resid   24 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   24 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HB) 3.013 1.135 1.135 weight 1.000 spectrum  4 peak   383 ! spec=15N, no=383, id=315, vol=1.930000e+06
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB#)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   36 and name   HB) 3.013 1.135 1.135 weight 1.000 spectrum  4 peak   383 ! spec=15N, no=383, id=315, vol=1.930000e+06
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HB#)
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HB) 3.013 1.135 1.135 weight 1.000 spectrum  4 peak   383 ! spec=15N, no=383, id=315, vol=1.930000e+06
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB#)
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   36 and name   HB) 3.013 1.135 1.135 weight 1.000 spectrum  4 peak   383 ! spec=15N, no=383, id=315, vol=1.930000e+06
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HB#)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  4 peak   385 ! spec=15N, no=385, id=317, vol=9.600000e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name  HB#)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HG)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   27 and name  HB#)
    or (segid "   A" and resid   24 and name   HN) (segid "   C" and resid   25 and name   HG)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   34 and name  HB#)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  4 peak   385 ! spec=15N, no=385, id=317, vol=9.600000e+05
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   25 and name  HB#)
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   25 and name   HG)
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   27 and name  HB#)
    or (segid "   B" and resid   24 and name   HN) (segid "   D" and resid   25 and name   HG)
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   34 and name  HB#)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  4 peak   385 ! spec=15N, no=385, id=317, vol=9.600000e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   25 and name  HB#)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   25 and name   HG)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   27 and name  HB#)
    or (segid "   C" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HG)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   34 and name  HB#)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  4 peak   385 ! spec=15N, no=385, id=317, vol=9.600000e+05
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   25 and name  HB#)
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   25 and name   HG)
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   27 and name  HB#)
    or (segid "   D" and resid   24 and name   HN) (segid "   B" and resid   25 and name   HG)
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   34 and name  HB#)
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.681 1.694 1.694 weight 1.000 spectrum  4 peak   386 ! spec=15N, no=386, id=318, vol=5.800000e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.681 1.694 1.694 weight 1.000 spectrum  4 peak   386 ! spec=15N, no=386, id=318, vol=5.800000e+05
    or (segid "   B" and resid   24 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.681 1.694 1.694 weight 1.000 spectrum  4 peak   386 ! spec=15N, no=386, id=318, vol=5.800000e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.681 1.694 1.694 weight 1.000 spectrum  4 peak   386 ! spec=15N, no=386, id=318, vol=5.800000e+05
    or (segid "   D" and resid   24 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name   HA) 3.163 1.251 1.251 weight 1.000 spectrum  4 peak   401 ! spec=15N, no=401, id=333, vol=1.440000e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   22 and name   HA) 3.163 1.251 1.251 weight 1.000 spectrum  4 peak   401 ! spec=15N, no=401, id=333, vol=1.440000e+06
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   22 and name   HA) 3.163 1.251 1.251 weight 1.000 spectrum  4 peak   401 ! spec=15N, no=401, id=333, vol=1.440000e+06
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   22 and name   HA) 3.163 1.251 1.251 weight 1.000 spectrum  4 peak   401 ! spec=15N, no=401, id=333, vol=1.440000e+06
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB#) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   402 ! spec=15N, no=402, id=334, vol=4.220000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HB#)
    or (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   14 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   23 and name  HB#) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   402 ! spec=15N, no=402, id=334, vol=4.220000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   26 and name  HB#)
    or (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   14 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   23 and name  HB#) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   402 ! spec=15N, no=402, id=334, vol=4.220000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   26 and name  HB#)
    or (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   14 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   23 and name  HB#) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   402 ! spec=15N, no=402, id=334, vol=4.220000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   26 and name  HB#)
    or (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   14 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   22 and name  HB#) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak   403 ! spec=15N, no=403, id=335, vol=3.910000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HB#)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   22 and name  HB#) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak   403 ! spec=15N, no=403, id=335, vol=3.910000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HB#)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   22 and name  HB#) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak   403 ! spec=15N, no=403, id=335, vol=3.910000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HB#)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   22 and name  HB#) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak   403 ! spec=15N, no=403, id=335, vol=3.910000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HB#)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak   404 ! spec=15N, no=404, id=336, vol=4.240000e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HG)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak   404 ! spec=15N, no=404, id=336, vol=4.240000e+06
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name   HG)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak   404 ! spec=15N, no=404, id=336, vol=4.240000e+06
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HG)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name  HB#) 2.642 0.873 0.873 weight 1.000 spectrum  4 peak   404 ! spec=15N, no=404, id=336, vol=4.240000e+06
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name   HG)
assign (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   21 and name  HB#) 4.213 2.219 2.219 weight 1.000 spectrum  4 peak   406 ! spec=15N, no=406, id=338, vol=2.580000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB#)
assign (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   21 and name  HB#) 4.213 2.219 2.219 weight 1.000 spectrum  4 peak   406 ! spec=15N, no=406, id=338, vol=2.580000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   21 and name  HB#)
assign (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   21 and name  HB#) 4.213 2.219 2.219 weight 1.000 spectrum  4 peak   406 ! spec=15N, no=406, id=338, vol=2.580000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   21 and name  HB#)
assign (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   21 and name  HB#) 4.213 2.219 2.219 weight 1.000 spectrum  4 peak   406 ! spec=15N, no=406, id=338, vol=2.580000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   21 and name  HB#)
assign (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   17 and name HG2#) 3.167 3.167 2.833 weight 1.000 spectrum  4 peak   407 ! spec=15N, no=407, id=339, vol=1.430000e+06
    or (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   A" and resid   25 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   A" and resid   25 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   17 and name HG2#) 3.167 3.167 2.833 weight 1.000 spectrum  4 peak   407 ! spec=15N, no=407, id=339, vol=1.430000e+06
    or (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   B" and resid   25 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   B" and resid   25 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   17 and name HG2#) 3.167 3.167 2.833 weight 1.000 spectrum  4 peak   407 ! spec=15N, no=407, id=339, vol=1.430000e+06
    or (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   C" and resid   25 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   C" and resid   25 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   17 and name HG2#) 3.167 3.167 2.833 weight 1.000 spectrum  4 peak   407 ! spec=15N, no=407, id=339, vol=1.430000e+06
    or (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   D" and resid   25 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   D" and resid   25 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   20 and name  HE#) 4.292 2.302 2.302 weight 1.000 spectrum  4 peak   410 ! spec=15N, no=410, id=340, vol=2.310000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   26 and name  HG#)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   20 and name  HE#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   20 and name  HE#) 4.292 2.302 2.302 weight 1.000 spectrum  4 peak   410 ! spec=15N, no=410, id=340, vol=2.310000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   26 and name  HG#)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   20 and name  HE#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   20 and name  HE#) 4.292 2.302 2.302 weight 1.000 spectrum  4 peak   410 ! spec=15N, no=410, id=340, vol=2.310000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   26 and name  HG#)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   20 and name  HE#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   20 and name  HE#) 4.292 2.302 2.302 weight 1.000 spectrum  4 peak   410 ! spec=15N, no=410, id=340, vol=2.310000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   26 and name  HG#)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   20 and name  HE#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#) 4.699 2.760 2.760 weight 1.000 spectrum  4 peak   411 ! spec=15N, no=411, id=341, vol=1.340000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#) 4.699 2.760 2.760 weight 1.000 spectrum  4 peak   411 ! spec=15N, no=411, id=341, vol=1.340000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#) 4.699 2.760 2.760 weight 1.000 spectrum  4 peak   411 ! spec=15N, no=411, id=341, vol=1.340000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#) 4.699 2.760 2.760 weight 1.000 spectrum  4 peak   411 ! spec=15N, no=411, id=341, vol=1.340000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   23 and name  HG#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   412 ! spec=15N, no=412, id=342, vol=1.390000e+05
    or (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
    or (segid "   A" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   23 and name  HG#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   412 ! spec=15N, no=412, id=342, vol=1.390000e+05
    or (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
    or (segid "   B" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   23 and name  HG#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   412 ! spec=15N, no=412, id=342, vol=1.390000e+05
    or (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   28 and name  HG#)
    or (segid "   C" and resid   25 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   23 and name  HG#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   412 ! spec=15N, no=412, id=342, vol=1.390000e+05
    or (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   28 and name  HG#)
    or (segid "   D" and resid   25 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   24 and name  HB#) 3.976 1.977 1.977 weight 1.000 spectrum  4 peak   421 ! spec=15N, no=421, id=351, vol=3.650000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HA)
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   24 and name  HB#) 3.976 1.977 1.977 weight 1.000 spectrum  4 peak   421 ! spec=15N, no=421, id=351, vol=3.650000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   27 and name   HA)
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   24 and name  HB#) 3.976 1.977 1.977 weight 1.000 spectrum  4 peak   421 ! spec=15N, no=421, id=351, vol=3.650000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HA)
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   24 and name  HB#) 3.976 1.977 1.977 weight 1.000 spectrum  4 peak   421 ! spec=15N, no=421, id=351, vol=3.650000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   27 and name   HA)
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG#) 2.754 0.948 0.948 weight 1.000 spectrum  4 peak   424 ! spec=15N, no=424, id=354, vol=3.310000e+06
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HG#) 2.754 0.948 0.948 weight 1.000 spectrum  4 peak   424 ! spec=15N, no=424, id=354, vol=3.310000e+06
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HB#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HG#) 2.754 0.948 0.948 weight 1.000 spectrum  4 peak   424 ! spec=15N, no=424, id=354, vol=3.310000e+06
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HG#) 2.754 0.948 0.948 weight 1.000 spectrum  4 peak   424 ! spec=15N, no=424, id=354, vol=3.310000e+06
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HB#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   20 and name  HD#) 4.381 2.400 2.400 weight 1.000 spectrum  4 peak   427 ! spec=15N, no=427, id=357, vol=2.040000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name  HG#)
    or (segid "   A" and resid   26 and name   HN) (segid "   C" and resid   20 and name  HD#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   20 and name  HD#) 4.381 2.400 2.400 weight 1.000 spectrum  4 peak   427 ! spec=15N, no=427, id=357, vol=2.040000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   22 and name  HG#)
    or (segid "   B" and resid   26 and name   HN) (segid "   D" and resid   20 and name  HD#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   20 and name  HD#) 4.381 2.400 2.400 weight 1.000 spectrum  4 peak   427 ! spec=15N, no=427, id=357, vol=2.040000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   22 and name  HG#)
    or (segid "   C" and resid   26 and name   HN) (segid "   A" and resid   20 and name  HD#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   20 and name  HD#) 4.381 2.400 2.400 weight 1.000 spectrum  4 peak   427 ! spec=15N, no=427, id=357, vol=2.040000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   22 and name  HG#)
    or (segid "   D" and resid   26 and name   HN) (segid "   B" and resid   20 and name  HD#)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   429 ! spec=15N, no=429, id=359, vol=4.170000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HG)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   429 ! spec=15N, no=429, id=359, vol=4.170000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   27 and name   HG)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   429 ! spec=15N, no=429, id=359, vol=4.170000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HG)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   429 ! spec=15N, no=429, id=359, vol=4.170000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   27 and name   HG)
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.836 1.839 2.297 weight 1.000 spectrum  4 peak   430 ! spec=15N, no=430, id=360, vol=4.530000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   17 and name HG2#)
    or (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   17 and name HD1#)
    or (segid "   A" and resid   26 and name   HN) (segid "   D" and resid   17 and name HD1#)
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.836 1.839 2.297 weight 1.000 spectrum  4 peak   430 ! spec=15N, no=430, id=360, vol=4.530000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   17 and name HG2#)
    or (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   17 and name HD1#)
    or (segid "   B" and resid   26 and name   HN) (segid "   C" and resid   17 and name HD1#)
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.836 1.839 2.297 weight 1.000 spectrum  4 peak   430 ! spec=15N, no=430, id=360, vol=4.530000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   17 and name HG2#)
    or (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   17 and name HD1#)
    or (segid "   C" and resid   26 and name   HN) (segid "   B" and resid   17 and name HD1#)
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.836 1.839 2.297 weight 1.000 spectrum  4 peak   430 ! spec=15N, no=430, id=360, vol=4.530000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   17 and name HG2#)
    or (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   17 and name HD1#)
    or (segid "   D" and resid   26 and name   HN) (segid "   A" and resid   17 and name HD1#)
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HA) 3.252 1.322 1.322 weight 1.000 spectrum  4 peak   438 ! spec=15N, no=438, id=366, vol=1.220000e+06
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA)
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   24 and name   HA) 3.252 1.322 1.322 weight 1.000 spectrum  4 peak   438 ! spec=15N, no=438, id=366, vol=1.220000e+06
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name   HA)
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   24 and name   HA) 3.252 1.322 1.322 weight 1.000 spectrum  4 peak   438 ! spec=15N, no=438, id=366, vol=1.220000e+06
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name   HA)
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   24 and name   HA) 3.252 1.322 1.322 weight 1.000 spectrum  4 peak   438 ! spec=15N, no=438, id=366, vol=1.220000e+06
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name   HA)
assign (segid "   A" and resid   27 and name   HN) (segid "   C" and resid   24 and name  HB#) 4.192 2.196 2.196 weight 1.000 spectrum  4 peak   440 ! spec=15N, no=440, id=368, vol=2.660000e+05
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   22 and name   HA)
    or (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   B" and resid   27 and name   HN) (segid "   D" and resid   24 and name  HB#) 4.192 2.196 2.196 weight 1.000 spectrum  4 peak   440 ! spec=15N, no=440, id=368, vol=2.660000e+05
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   22 and name   HA)
    or (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   C" and resid   27 and name   HN) (segid "   A" and resid   24 and name  HB#) 4.192 2.196 2.196 weight 1.000 spectrum  4 peak   440 ! spec=15N, no=440, id=368, vol=2.660000e+05
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   22 and name   HA)
    or (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   D" and resid   27 and name   HN) (segid "   B" and resid   24 and name  HB#) 4.192 2.196 2.196 weight 1.000 spectrum  4 peak   440 ! spec=15N, no=440, id=368, vol=2.660000e+05
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   22 and name   HA)
    or (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   25 and name   HN) 3.524 1.552 1.552 weight 1.000 spectrum  4 peak   452 ! spec=15N, no=452, id=378, vol=7.540000e+05
    or (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name   HN)
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   25 and name   HN) 3.524 1.552 1.552 weight 1.000 spectrum  4 peak   452 ! spec=15N, no=452, id=378, vol=7.540000e+05
    or (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   28 and name   HN)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   25 and name   HN) 3.524 1.552 1.552 weight 1.000 spectrum  4 peak   452 ! spec=15N, no=452, id=378, vol=7.540000e+05
    or (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   28 and name   HN)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   25 and name   HN) 3.524 1.552 1.552 weight 1.000 spectrum  4 peak   452 ! spec=15N, no=452, id=378, vol=7.540000e+05
    or (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   28 and name   HN)
assign (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   24 and name   HN) 3.309 3.309 2.691 weight 1.000 spectrum  4 peak   453 ! spec=15N, no=453, id=379, vol=1.100000e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HN)
assign (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   24 and name   HN) 3.309 3.309 2.691 weight 1.000 spectrum  4 peak   453 ! spec=15N, no=453, id=379, vol=1.100000e+06
    or (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   24 and name   HN)
assign (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HN) 3.309 3.309 2.691 weight 1.000 spectrum  4 peak   453 ! spec=15N, no=453, id=379, vol=1.100000e+06
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   24 and name   HN)
assign (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   24 and name   HN) 3.309 3.309 2.691 weight 1.000 spectrum  4 peak   453 ! spec=15N, no=453, id=379, vol=1.100000e+06
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   24 and name   HN)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HA) 3.329 1.385 1.385 weight 1.000 spectrum  4 peak   456 ! spec=15N, no=456, id=381, vol=1.060000e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   26 and name   HA)
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   24 and name   HA) 3.329 1.385 1.385 weight 1.000 spectrum  4 peak   456 ! spec=15N, no=456, id=381, vol=1.060000e+06
    or (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   26 and name   HA)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   24 and name   HA) 3.329 1.385 1.385 weight 1.000 spectrum  4 peak   456 ! spec=15N, no=456, id=381, vol=1.060000e+06
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   26 and name   HA)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   24 and name   HA) 3.329 1.385 1.385 weight 1.000 spectrum  4 peak   456 ! spec=15N, no=456, id=381, vol=1.060000e+06
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   26 and name   HA)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  4 peak   458 ! spec=15N, no=458, id=383, vol=3.960000e+05
    or (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   24 and name  HB#)
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   24 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  4 peak   458 ! spec=15N, no=458, id=383, vol=3.960000e+05
    or (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   24 and name  HB#)
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   24 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  4 peak   458 ! spec=15N, no=458, id=383, vol=3.960000e+05
    or (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   24 and name  HB#)
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   24 and name  HB#) 3.923 1.924 1.924 weight 1.000 spectrum  4 peak   458 ! spec=15N, no=458, id=383, vol=3.960000e+05
    or (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   24 and name  HB#)
assign (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG#) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   460 ! spec=15N, no=460, id=385, vol=1.330000e+06
    or (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG#) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   460 ! spec=15N, no=460, id=385, vol=1.330000e+06
    or (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG#) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   460 ! spec=15N, no=460, id=385, vol=1.330000e+06
    or (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HG#) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   460 ! spec=15N, no=460, id=385, vol=1.330000e+06
    or (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB#) 2.523 0.796 0.796 weight 1.000 spectrum  4 peak   461 ! spec=15N, no=461, id=386, vol=5.590000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HB#) 2.523 0.796 0.796 weight 1.000 spectrum  4 peak   461 ! spec=15N, no=461, id=386, vol=5.590000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HB#) 2.523 0.796 0.796 weight 1.000 spectrum  4 peak   461 ! spec=15N, no=461, id=386, vol=5.590000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HB#) 2.523 0.796 0.796 weight 1.000 spectrum  4 peak   461 ! spec=15N, no=461, id=386, vol=5.590000e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HG#) 3.488 1.520 1.520 weight 1.000 spectrum  4 peak   474 ! spec=15N, no=474, id=397, vol=8.020000e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HG#)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HG#) 3.488 1.520 1.520 weight 1.000 spectrum  4 peak   474 ! spec=15N, no=474, id=397, vol=8.020000e+05
    or (segid "   B" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HG#)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HG#) 3.488 1.520 1.520 weight 1.000 spectrum  4 peak   474 ! spec=15N, no=474, id=397, vol=8.020000e+05
    or (segid "   C" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HG#)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HG#) 3.488 1.520 1.520 weight 1.000 spectrum  4 peak   474 ! spec=15N, no=474, id=397, vol=8.020000e+05
    or (segid "   D" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HG#)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HG#) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   475 ! spec=15N, no=475, id=398, vol=3.370000e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG#)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HG#) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   475 ! spec=15N, no=475, id=398, vol=3.370000e+06
    or (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HG#)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HG#) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   475 ! spec=15N, no=475, id=398, vol=3.370000e+06
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HG#)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HG#) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   475 ! spec=15N, no=475, id=398, vol=3.370000e+06
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HG#)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB#) 2.526 0.798 0.798 weight 1.000 spectrum  4 peak   477 ! spec=15N, no=477, id=400, vol=5.550000e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HB#) 2.526 0.798 0.798 weight 1.000 spectrum  4 peak   477 ! spec=15N, no=477, id=400, vol=5.550000e+06
    or (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB#) 2.526 0.798 0.798 weight 1.000 spectrum  4 peak   477 ! spec=15N, no=477, id=400, vol=5.550000e+06
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB#) 2.526 0.798 0.798 weight 1.000 spectrum  4 peak   477 ! spec=15N, no=477, id=400, vol=5.550000e+06
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB#) 2.399 0.719 0.719 weight 1.000 spectrum  4 peak   478 ! spec=15N, no=478, id=401, vol=7.570000e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB#)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HB#) 2.399 0.719 0.719 weight 1.000 spectrum  4 peak   478 ! spec=15N, no=478, id=401, vol=7.570000e+06
    or (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HB#)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB#) 2.399 0.719 0.719 weight 1.000 spectrum  4 peak   478 ! spec=15N, no=478, id=401, vol=7.570000e+06
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB#)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB#) 2.399 0.719 0.719 weight 1.000 spectrum  4 peak   478 ! spec=15N, no=478, id=401, vol=7.570000e+06
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HB#)
assign (segid "   A" and resid   29 and name   HN) (segid "   C" and resid   30 and name   HG) 3.299 3.299 2.814 weight 1.000 spectrum  4 peak   480 ! spec=15N, no=480, id=403, vol=1.120000e+06
    or (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HG)
assign (segid "   B" and resid   29 and name   HN) (segid "   D" and resid   30 and name   HG) 3.299 3.299 2.814 weight 1.000 spectrum  4 peak   480 ! spec=15N, no=480, id=403, vol=1.120000e+06
    or (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   30 and name   HG)
assign (segid "   C" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HG) 3.299 3.299 2.814 weight 1.000 spectrum  4 peak   480 ! spec=15N, no=480, id=403, vol=1.120000e+06
    or (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   30 and name   HG)
assign (segid "   D" and resid   29 and name   HN) (segid "   B" and resid   30 and name   HG) 3.299 3.299 2.814 weight 1.000 spectrum  4 peak   480 ! spec=15N, no=480, id=403, vol=1.120000e+06
    or (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   30 and name   HG)
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name   HG) 4.104 2.105 2.105 weight 1.000 spectrum  4 peak   481 ! spec=15N, no=481, id=404, vol=3.020000e+05
    or (segid "   A" and resid   29 and name   HN) (segid "   C" and resid   27 and name   HG)
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   27 and name   HG) 4.104 2.105 2.105 weight 1.000 spectrum  4 peak   481 ! spec=15N, no=481, id=404, vol=3.020000e+05
    or (segid "   B" and resid   29 and name   HN) (segid "   D" and resid   27 and name   HG)
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   27 and name   HG) 4.104 2.105 2.105 weight 1.000 spectrum  4 peak   481 ! spec=15N, no=481, id=404, vol=3.020000e+05
    or (segid "   C" and resid   29 and name   HN) (segid "   A" and resid   27 and name   HG)
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   27 and name   HG) 4.104 2.105 2.105 weight 1.000 spectrum  4 peak   481 ! spec=15N, no=481, id=404, vol=3.020000e+05
    or (segid "   D" and resid   29 and name   HN) (segid "   B" and resid   27 and name   HG)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   29 and name   HA) 3.218 1.294 1.294 weight 1.000 spectrum  4 peak   485 ! spec=15N, no=485, id=408, vol=1.300000e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HD#)
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   29 and name   HA) 3.218 1.294 1.294 weight 1.000 spectrum  4 peak   485 ! spec=15N, no=485, id=408, vol=1.300000e+06
    or (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   32 and name  HD#)
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   29 and name   HA) 3.218 1.294 1.294 weight 1.000 spectrum  4 peak   485 ! spec=15N, no=485, id=408, vol=1.300000e+06
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name  HD#)
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   29 and name   HA) 3.218 1.294 1.294 weight 1.000 spectrum  4 peak   485 ! spec=15N, no=485, id=408, vol=1.300000e+06
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   32 and name  HD#)
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB#) 2.324 0.675 0.675 weight 1.000 spectrum  4 peak   488 ! spec=15N, no=488, id=411, vol=9.170000e+06
    or (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HB)
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   30 and name  HB#) 2.324 0.675 0.675 weight 1.000 spectrum  4 peak   488 ! spec=15N, no=488, id=411, vol=9.170000e+06
    or (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   31 and name   HB)
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name  HB#) 2.324 0.675 0.675 weight 1.000 spectrum  4 peak   488 ! spec=15N, no=488, id=411, vol=9.170000e+06
    or (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name   HB)
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name  HB#) 2.324 0.675 0.675 weight 1.000 spectrum  4 peak   488 ! spec=15N, no=488, id=411, vol=9.170000e+06
    or (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name   HB)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name   HA) 3.578 1.600 1.600 weight 1.000 spectrum  4 peak   506 ! spec=15N, no=506, id=428, vol=6.880000e+05
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   33 and name   HA) 3.578 1.600 1.600 weight 1.000 spectrum  4 peak   506 ! spec=15N, no=506, id=428, vol=6.880000e+05
    or (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   33 and name   HA) 3.578 1.600 1.600 weight 1.000 spectrum  4 peak   506 ! spec=15N, no=506, id=428, vol=6.880000e+05
    or (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   33 and name   HA) 3.578 1.600 1.600 weight 1.000 spectrum  4 peak   506 ! spec=15N, no=506, id=428, vol=6.880000e+05
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HD#) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   508 ! spec=15N, no=508, id=430, vol=1.500000e+06
    or (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HA)
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HD#) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   508 ! spec=15N, no=508, id=430, vol=1.500000e+06
    or (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   36 and name   HA)
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HD#) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   508 ! spec=15N, no=508, id=430, vol=1.500000e+06
    or (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   36 and name   HA)
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HD#) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   508 ! spec=15N, no=508, id=430, vol=1.500000e+06
    or (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   36 and name   HA)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name   HA) 3.042 1.157 1.157 weight 1.000 spectrum  4 peak   525 ! spec=15N, no=525, id=446, vol=1.820000e+06
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   33 and name   HA) 3.042 1.157 1.157 weight 1.000 spectrum  4 peak   525 ! spec=15N, no=525, id=446, vol=1.820000e+06
    or (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   33 and name   HA) 3.042 1.157 1.157 weight 1.000 spectrum  4 peak   525 ! spec=15N, no=525, id=446, vol=1.820000e+06
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   33 and name   HA) 3.042 1.157 1.157 weight 1.000 spectrum  4 peak   525 ! spec=15N, no=525, id=446, vol=1.820000e+06
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   32 and name  HB#) 4.030 2.030 2.030 weight 1.000 spectrum  4 peak   528 ! spec=15N, no=528, id=449, vol=3.370000e+05
    or (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   33 and name  HG#)
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   32 and name  HB#) 4.030 2.030 2.030 weight 1.000 spectrum  4 peak   528 ! spec=15N, no=528, id=449, vol=3.370000e+05
    or (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   33 and name  HG#)
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   32 and name  HB#) 4.030 2.030 2.030 weight 1.000 spectrum  4 peak   528 ! spec=15N, no=528, id=449, vol=3.370000e+05
    or (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   33 and name  HG#)
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   32 and name  HB#) 4.030 2.030 2.030 weight 1.000 spectrum  4 peak   528 ! spec=15N, no=528, id=449, vol=3.370000e+05
    or (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   33 and name  HG#)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   33 and name  HG#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   541 ! spec=15N, no=541, id=458, vol=7.470000e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   34 and name  HB#)
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   33 and name  HG#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   541 ! spec=15N, no=541, id=458, vol=7.470000e+05
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   34 and name  HB#)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   33 and name  HG#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   541 ! spec=15N, no=541, id=458, vol=7.470000e+05
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   34 and name  HB#)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   33 and name  HG#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   541 ! spec=15N, no=541, id=458, vol=7.470000e+05
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   34 and name  HB#)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   33 and name   HA) 3.235 1.308 1.308 weight 1.000 spectrum  4 peak   543 ! spec=15N, no=543, id=460, vol=1.260000e+06
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name  HB#)
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   33 and name   HA) 3.235 1.308 1.308 weight 1.000 spectrum  4 peak   543 ! spec=15N, no=543, id=460, vol=1.260000e+06
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   38 and name  HB#)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   33 and name   HA) 3.235 1.308 1.308 weight 1.000 spectrum  4 peak   543 ! spec=15N, no=543, id=460, vol=1.260000e+06
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   38 and name  HB#)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   33 and name   HA) 3.235 1.308 1.308 weight 1.000 spectrum  4 peak   543 ! spec=15N, no=543, id=460, vol=1.260000e+06
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   38 and name  HB#)
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   35 and name   HA) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak   546 ! spec=15N, no=546, id=463, vol=7.290000e+05
    or (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HA)
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   35 and name   HA) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak   546 ! spec=15N, no=546, id=463, vol=7.290000e+05
    or (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   38 and name   HA)
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   35 and name   HA) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak   546 ! spec=15N, no=546, id=463, vol=7.290000e+05
    or (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   38 and name   HA)
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   35 and name   HA) 3.543 1.569 1.569 weight 1.000 spectrum  4 peak   546 ! spec=15N, no=546, id=463, vol=7.290000e+05
    or (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   38 and name   HA)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   35 and name   HA) 2.463 0.758 0.758 weight 1.000 spectrum  4 peak   554 ! spec=15N, no=554, id=471, vol=6.460000e+06
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name   HA)
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   21 and name   HA)
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   35 and name   HA) 2.463 0.758 0.758 weight 1.000 spectrum  4 peak   554 ! spec=15N, no=554, id=471, vol=6.460000e+06
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name   HA)
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   21 and name   HA)
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   35 and name   HA) 2.463 0.758 0.758 weight 1.000 spectrum  4 peak   554 ! spec=15N, no=554, id=471, vol=6.460000e+06
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   38 and name   HA)
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   21 and name   HA)
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   35 and name   HA) 2.463 0.758 0.758 weight 1.000 spectrum  4 peak   554 ! spec=15N, no=554, id=471, vol=6.460000e+06
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   38 and name   HA)
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   21 and name   HA)
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   559 ! spec=15N, no=559, id=476, vol=4.130000e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   559 ! spec=15N, no=559, id=476, vol=4.130000e+06
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   559 ! spec=15N, no=559, id=476, vol=4.130000e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   559 ! spec=15N, no=559, id=476, vol=4.130000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.418 1.460 1.460 weight 1.000 spectrum  4 peak   560 ! spec=15N, no=560, id=477, vol=9.050000e+05
    or (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB#)
    or (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HB)
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.418 1.460 1.460 weight 1.000 spectrum  4 peak   560 ! spec=15N, no=560, id=477, vol=9.050000e+05
    or (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HB#)
    or (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   36 and name   HB)
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.418 1.460 1.460 weight 1.000 spectrum  4 peak   560 ! spec=15N, no=560, id=477, vol=9.050000e+05
    or (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB#)
    or (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HB)
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.418 1.460 1.460 weight 1.000 spectrum  4 peak   560 ! spec=15N, no=560, id=477, vol=9.050000e+05
    or (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HB#)
    or (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   36 and name   HB)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HE#) 4.058 2.059 2.059 weight 1.000 spectrum  4 peak   565 ! spec=15N, no=565, id=481, vol=3.230000e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   41 and name HE2#)
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   39 and name  HE#) 4.058 2.059 2.059 weight 1.000 spectrum  4 peak   565 ! spec=15N, no=565, id=481, vol=3.230000e+05
    or (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   41 and name HE2#)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HE#) 4.058 2.059 2.059 weight 1.000 spectrum  4 peak   565 ! spec=15N, no=565, id=481, vol=3.230000e+05
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   41 and name HE2#)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HE#) 4.058 2.059 2.059 weight 1.000 spectrum  4 peak   565 ! spec=15N, no=565, id=481, vol=3.230000e+05
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   41 and name HE2#)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name  HB#) 2.880 1.037 1.037 weight 1.000 spectrum  4 peak   569 ! spec=15N, no=569, id=485, vol=2.530000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   38 and name  HB#) 2.880 1.037 1.037 weight 1.000 spectrum  4 peak   569 ! spec=15N, no=569, id=485, vol=2.530000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   38 and name  HB#) 2.880 1.037 1.037 weight 1.000 spectrum  4 peak   569 ! spec=15N, no=569, id=485, vol=2.530000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   38 and name  HB#) 2.880 1.037 1.037 weight 1.000 spectrum  4 peak   569 ! spec=15N, no=569, id=485, vol=2.530000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name  HG#) 3.599 1.619 1.619 weight 1.000 spectrum  4 peak   574 ! spec=15N, no=574, id=490, vol=6.640000e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   42 and name  HB#)
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name  HG#) 3.599 1.619 1.619 weight 1.000 spectrum  4 peak   574 ! spec=15N, no=574, id=490, vol=6.640000e+05
    or (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   42 and name  HB#)
    or (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name  HG#) 3.599 1.619 1.619 weight 1.000 spectrum  4 peak   574 ! spec=15N, no=574, id=490, vol=6.640000e+05
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   42 and name  HB#)
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name  HG#) 3.599 1.619 1.619 weight 1.000 spectrum  4 peak   574 ! spec=15N, no=574, id=490, vol=6.640000e+05
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   42 and name  HB#)
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   28 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  4 peak   575 ! spec=15N, no=575, id=491, vol=4.020000e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name  HB#)
    or (segid "   A" and resid   39 and name   HN) (segid "   C" and resid   30 and name  HB#)
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   28 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  4 peak   575 ! spec=15N, no=575, id=491, vol=4.020000e+05
    or (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name  HB#)
    or (segid "   B" and resid   39 and name   HN) (segid "   D" and resid   30 and name  HB#)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   28 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  4 peak   575 ! spec=15N, no=575, id=491, vol=4.020000e+05
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name  HB#)
    or (segid "   C" and resid   39 and name   HN) (segid "   A" and resid   30 and name  HB#)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   28 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  4 peak   575 ! spec=15N, no=575, id=491, vol=4.020000e+05
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name  HB#)
    or (segid "   D" and resid   39 and name   HN) (segid "   B" and resid   30 and name  HB#)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   35 and name  HB#) 3.928 1.928 1.928 weight 1.000 spectrum  4 peak   576 ! spec=15N, no=576, id=492, vol=3.930000e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   35 and name  HB#) 3.928 1.928 1.928 weight 1.000 spectrum  4 peak   576 ! spec=15N, no=576, id=492, vol=3.930000e+05
    or (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   35 and name  HB#) 3.928 1.928 1.928 weight 1.000 spectrum  4 peak   576 ! spec=15N, no=576, id=492, vol=3.930000e+05
    or (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   35 and name  HB#) 3.928 1.928 1.928 weight 1.000 spectrum  4 peak   576 ! spec=15N, no=576, id=492, vol=3.930000e+05
    or (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name  HG#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   577 ! spec=15N, no=577, id=493, vol=2.910000e+05
    or (segid "   A" and resid   39 and name   HN) (segid "   C" and resid   27 and name  HB#)
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name  HG#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   577 ! spec=15N, no=577, id=493, vol=2.910000e+05
    or (segid "   B" and resid   39 and name   HN) (segid "   D" and resid   27 and name  HB#)
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name  HG#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   577 ! spec=15N, no=577, id=493, vol=2.910000e+05
    or (segid "   C" and resid   39 and name   HN) (segid "   A" and resid   27 and name  HB#)
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name  HG#) 4.129 2.132 2.132 weight 1.000 spectrum  4 peak   577 ! spec=15N, no=577, id=493, vol=2.910000e+05
    or (segid "   D" and resid   39 and name   HN) (segid "   B" and resid   27 and name  HB#)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   38 and name   HN) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   583 ! spec=15N, no=583, id=496, vol=7.620000e+05
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name   HN)
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   43 and name   HN)
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   38 and name   HN) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   583 ! spec=15N, no=583, id=496, vol=7.620000e+05
    or (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   42 and name   HN)
    or (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   43 and name   HN)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   38 and name   HN) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   583 ! spec=15N, no=583, id=496, vol=7.620000e+05
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   42 and name   HN)
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   43 and name   HN)
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   38 and name   HN) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak   583 ! spec=15N, no=583, id=496, vol=7.620000e+05
    or (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   42 and name   HN)
    or (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   43 and name   HN)
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG#) 2.818 0.993 0.993 weight 1.000 spectrum  4 peak   592 ! spec=15N, no=592, id=505, vol=2.880000e+06
    or (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HG#) 2.818 0.993 0.993 weight 1.000 spectrum  4 peak   592 ! spec=15N, no=592, id=505, vol=2.880000e+06
    or (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HG#) 2.818 0.993 0.993 weight 1.000 spectrum  4 peak   592 ! spec=15N, no=592, id=505, vol=2.880000e+06
    or (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name  HG#) 2.818 0.993 0.993 weight 1.000 spectrum  4 peak   592 ! spec=15N, no=592, id=505, vol=2.880000e+06
    or (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HE#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   602 ! spec=15N, no=602, id=513, vol=2.300000e+05
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name HE2#)
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   39 and name  HE#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   602 ! spec=15N, no=602, id=513, vol=2.300000e+05
    or (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   41 and name HE2#)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name  HE#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   602 ! spec=15N, no=602, id=513, vol=2.300000e+05
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name HE2#)
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   39 and name  HE#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   602 ! spec=15N, no=602, id=513, vol=2.300000e+05
    or (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   41 and name HE2#)
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   38 and name   HA) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   604 ! spec=15N, no=604, id=515, vol=2.690000e+06
    or (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name   HA)
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   38 and name   HA) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   604 ! spec=15N, no=604, id=515, vol=2.690000e+06
    or (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   39 and name   HA)
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   38 and name   HA) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   604 ! spec=15N, no=604, id=515, vol=2.690000e+06
    or (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name   HA)
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   38 and name   HA) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   604 ! spec=15N, no=604, id=515, vol=2.690000e+06
    or (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   39 and name   HA)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name   HA) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   618 ! spec=15N, no=618, id=529, vol=7.060000e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name   HA) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   618 ! spec=15N, no=618, id=529, vol=7.060000e+06
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name   HA) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   618 ! spec=15N, no=618, id=529, vol=7.060000e+06
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name   HA) 2.427 0.736 0.736 weight 1.000 spectrum  4 peak   618 ! spec=15N, no=618, id=529, vol=7.060000e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HG#) 2.784 0.969 0.969 weight 1.000 spectrum  4 peak   620 ! spec=15N, no=620, id=531, vol=3.100000e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HG#) 2.784 0.969 0.969 weight 1.000 spectrum  4 peak   620 ! spec=15N, no=620, id=531, vol=3.100000e+06
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG#) 2.784 0.969 0.969 weight 1.000 spectrum  4 peak   620 ! spec=15N, no=620, id=531, vol=3.100000e+06
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HG#) 2.784 0.969 0.969 weight 1.000 spectrum  4 peak   620 ! spec=15N, no=620, id=531, vol=3.100000e+06
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HG#) 2.968 1.101 1.101 weight 1.000 spectrum  4 peak   621 ! spec=15N, no=621, id=532, vol=2.110000e+06
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HG#) 2.968 1.101 1.101 weight 1.000 spectrum  4 peak   621 ! spec=15N, no=621, id=532, vol=2.110000e+06
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG#) 2.968 1.101 1.101 weight 1.000 spectrum  4 peak   621 ! spec=15N, no=621, id=532, vol=2.110000e+06
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HG#) 2.968 1.101 1.101 weight 1.000 spectrum  4 peak   621 ! spec=15N, no=621, id=532, vol=2.110000e+06
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HB#) 2.272 0.645 0.645 weight 1.000 spectrum  4 peak   622 ! spec=15N, no=622, id=533, vol=1.050000e+07
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HB#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HB#) 2.272 0.645 0.645 weight 1.000 spectrum  4 peak   622 ! spec=15N, no=622, id=533, vol=1.050000e+07
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HB#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HB#) 2.272 0.645 0.645 weight 1.000 spectrum  4 peak   622 ! spec=15N, no=622, id=533, vol=1.050000e+07
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HB#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HB#) 2.272 0.645 0.645 weight 1.000 spectrum  4 peak   622 ! spec=15N, no=622, id=533, vol=1.050000e+07
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HB#)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   39 and name   HA) 3.743 1.751 1.751 weight 1.000 spectrum  4 peak   626 ! spec=15N, no=626, id=537, vol=5.250000e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   39 and name   HA) 3.743 1.751 1.751 weight 1.000 spectrum  4 peak   626 ! spec=15N, no=626, id=537, vol=5.250000e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   39 and name   HA) 3.743 1.751 1.751 weight 1.000 spectrum  4 peak   626 ! spec=15N, no=626, id=537, vol=5.250000e+05
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   39 and name   HA) 3.743 1.751 1.751 weight 1.000 spectrum  4 peak   626 ! spec=15N, no=626, id=537, vol=5.250000e+05
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   41 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak   627 ! spec=15N, no=627, id=538, vol=2.170000e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name   HA)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   41 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak   627 ! spec=15N, no=627, id=538, vol=2.170000e+06
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name   HA)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   41 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak   627 ! spec=15N, no=627, id=538, vol=2.170000e+06
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name   HA)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   41 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak   627 ! spec=15N, no=627, id=538, vol=2.170000e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name   HA)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   628 ! spec=15N, no=628, id=539, vol=4.060000e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name   HA)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   628 ! spec=15N, no=628, id=539, vol=4.060000e+06
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name   HA)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   628 ! spec=15N, no=628, id=539, vol=4.060000e+06
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name   HA)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   628 ! spec=15N, no=628, id=539, vol=4.060000e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name   HA)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HG#) 3.783 1.789 1.789 weight 1.000 spectrum  4 peak   630 ! spec=15N, no=630, id=541, vol=4.920000e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG#)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name  HG#) 3.783 1.789 1.789 weight 1.000 spectrum  4 peak   630 ! spec=15N, no=630, id=541, vol=4.920000e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HG#)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name  HG#) 3.783 1.789 1.789 weight 1.000 spectrum  4 peak   630 ! spec=15N, no=630, id=541, vol=4.920000e+05
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG#)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HG#) 3.783 1.789 1.789 weight 1.000 spectrum  4 peak   630 ! spec=15N, no=630, id=541, vol=4.920000e+05
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HG#)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HG#) 3.886 1.888 1.888 weight 1.000 spectrum  4 peak   631 ! spec=15N, no=631, id=542, vol=4.190000e+05
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name  HG#) 3.886 1.888 1.888 weight 1.000 spectrum  4 peak   631 ! spec=15N, no=631, id=542, vol=4.190000e+05
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name  HG#) 3.886 1.888 1.888 weight 1.000 spectrum  4 peak   631 ! spec=15N, no=631, id=542, vol=4.190000e+05
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HG#) 3.886 1.888 1.888 weight 1.000 spectrum  4 peak   631 ! spec=15N, no=631, id=542, vol=4.190000e+05
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   42 and name  HB#) 2.443 0.746 0.746 weight 1.000 spectrum  4 peak   632 ! spec=15N, no=632, id=543, vol=6.790000e+06
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HB#)
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   42 and name  HB#) 2.443 0.746 0.746 weight 1.000 spectrum  4 peak   632 ! spec=15N, no=632, id=543, vol=6.790000e+06
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HB#)
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   42 and name  HB#) 2.443 0.746 0.746 weight 1.000 spectrum  4 peak   632 ! spec=15N, no=632, id=543, vol=6.790000e+06
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HB#)
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   42 and name  HB#) 2.443 0.746 0.746 weight 1.000 spectrum  4 peak   632 ! spec=15N, no=632, id=543, vol=6.790000e+06
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HB#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.456 2.456 3.544 weight 1.000 spectrum  4 peak   633 ! spec=15N, no=633, id=544, vol=6.570000e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name  HB#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   43 and name  HG#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.456 2.456 3.544 weight 1.000 spectrum  4 peak   633 ! spec=15N, no=633, id=544, vol=6.570000e+06
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   16 and name  HB#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   43 and name  HG#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.456 2.456 3.544 weight 1.000 spectrum  4 peak   633 ! spec=15N, no=633, id=544, vol=6.570000e+06
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   16 and name  HB#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   43 and name  HG#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.456 2.456 3.544 weight 1.000 spectrum  4 peak   633 ! spec=15N, no=633, id=544, vol=6.570000e+06
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   16 and name  HB#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   43 and name  HG#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.565 2.565 3.435 weight 1.000 spectrum  4 peak   634 ! spec=15N, no=634, id=545, vol=5.070000e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name   HB)
    or (segid "   A" and resid   14 and name   HN) (segid "   D" and resid   20 and name  HB#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.565 2.565 3.435 weight 1.000 spectrum  4 peak   634 ! spec=15N, no=634, id=545, vol=5.070000e+06
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name   HB)
    or (segid "   B" and resid   14 and name   HN) (segid "   C" and resid   20 and name  HB#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.565 2.565 3.435 weight 1.000 spectrum  4 peak   634 ! spec=15N, no=634, id=545, vol=5.070000e+06
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name   HB)
    or (segid "   C" and resid   14 and name   HN) (segid "   B" and resid   20 and name  HB#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.565 2.565 3.435 weight 1.000 spectrum  4 peak   634 ! spec=15N, no=634, id=545, vol=5.070000e+06
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name   HB)
    or (segid "   D" and resid   14 and name   HN) (segid "   A" and resid   20 and name  HB#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name HG1#) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   635 ! spec=15N, no=635, id=546, vol=5.100000e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   18 and name   HG)
    or (segid "   A" and resid   14 and name   HN) (segid "   B" and resid   25 and name   HG)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name  HG#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name HG1#) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   635 ! spec=15N, no=635, id=546, vol=5.100000e+05
    or (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   18 and name   HG)
    or (segid "   B" and resid   14 and name   HN) (segid "   A" and resid   25 and name   HG)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   40 and name  HG#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name HG1#) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   635 ! spec=15N, no=635, id=546, vol=5.100000e+05
    or (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   18 and name   HG)
    or (segid "   C" and resid   14 and name   HN) (segid "   D" and resid   25 and name   HG)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   40 and name  HG#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name HG1#) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   635 ! spec=15N, no=635, id=546, vol=5.100000e+05
    or (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   18 and name   HG)
    or (segid "   D" and resid   14 and name   HN) (segid "   C" and resid   25 and name   HG)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   40 and name  HG#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name   HA) 2.499 0.780 0.780 weight 1.000 spectrum  4 peak   637 ! spec=15N, no=637, id=548, vol=5.930000e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   39 and name   HA)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name   HA) 2.499 0.780 0.780 weight 1.000 spectrum  4 peak   637 ! spec=15N, no=637, id=548, vol=5.930000e+06
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   39 and name   HA)
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name   HA) 2.499 0.780 0.780 weight 1.000 spectrum  4 peak   637 ! spec=15N, no=637, id=548, vol=5.930000e+06
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   39 and name   HA)
assign (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name   HA) 2.499 0.780 0.780 weight 1.000 spectrum  4 peak   637 ! spec=15N, no=637, id=548, vol=5.930000e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   39 and name   HA)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   41 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   641 ! spec=15N, no=641, id=552, vol=2.690000e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   42 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name  HG#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   44 and name  HG#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   41 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   641 ! spec=15N, no=641, id=552, vol=2.690000e+06
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   42 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name  HG#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   44 and name  HG#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   41 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   641 ! spec=15N, no=641, id=552, vol=2.690000e+06
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   42 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name  HG#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   44 and name  HG#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   41 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   641 ! spec=15N, no=641, id=552, vol=2.690000e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   42 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name  HG#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   44 and name  HG#)
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   40 and name  HB#) 2.880 2.880 3.120 weight 1.000 spectrum  4 peak   643 ! spec=15N, no=643, id=554, vol=2.530000e+06
    or (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   40 and name  HB#)
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   40 and name  HB#) 2.880 2.880 3.120 weight 1.000 spectrum  4 peak   643 ! spec=15N, no=643, id=554, vol=2.530000e+06
    or (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   40 and name  HB#)
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   40 and name  HB#) 2.880 2.880 3.120 weight 1.000 spectrum  4 peak   643 ! spec=15N, no=643, id=554, vol=2.530000e+06
    or (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   40 and name  HB#)
assign (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   40 and name  HB#) 2.880 2.880 3.120 weight 1.000 spectrum  4 peak   643 ! spec=15N, no=643, id=554, vol=2.530000e+06
    or (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   40 and name  HB#)
assign (segid "   A" and resid   42 and name   HN) (segid "   A" and resid   45 and name  HB#) 3.391 1.437 1.437 weight 1.000 spectrum  4 peak   644 ! spec=15N, no=644, id=555, vol=9.490000e+05
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   42 and name   HN) (segid "   B" and resid   45 and name  HB#) 3.391 1.437 1.437 weight 1.000 spectrum  4 peak   644 ! spec=15N, no=644, id=555, vol=9.490000e+05
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   42 and name   HN) (segid "   C" and resid   45 and name  HB#) 3.391 1.437 1.437 weight 1.000 spectrum  4 peak   644 ! spec=15N, no=644, id=555, vol=9.490000e+05
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   42 and name   HN) (segid "   D" and resid   45 and name  HB#) 3.391 1.437 1.437 weight 1.000 spectrum  4 peak   644 ! spec=15N, no=644, id=555, vol=9.490000e+05
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name   HA) 2.630 0.865 0.865 weight 1.000 spectrum  4 peak   646 ! spec=15N, no=646, id=557, vol=4.360000e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   44 and name   HA)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name   HA) 2.630 0.865 0.865 weight 1.000 spectrum  4 peak   646 ! spec=15N, no=646, id=557, vol=4.360000e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   44 and name   HA)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name   HA) 2.630 0.865 0.865 weight 1.000 spectrum  4 peak   646 ! spec=15N, no=646, id=557, vol=4.360000e+06
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   44 and name   HA)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   44 and name   HA) 2.630 0.865 0.865 weight 1.000 spectrum  4 peak   646 ! spec=15N, no=646, id=557, vol=4.360000e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   44 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   42 and name   HA) 3.068 1.177 1.177 weight 1.000 spectrum  4 peak   647 ! spec=15N, no=647, id=558, vol=1.730000e+06
    or (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   41 and name   HA)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   42 and name   HA) 3.068 1.177 1.177 weight 1.000 spectrum  4 peak   647 ! spec=15N, no=647, id=558, vol=1.730000e+06
    or (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   41 and name   HA)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   42 and name   HA) 3.068 1.177 1.177 weight 1.000 spectrum  4 peak   647 ! spec=15N, no=647, id=558, vol=1.730000e+06
    or (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   41 and name   HA)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   42 and name   HA) 3.068 1.177 1.177 weight 1.000 spectrum  4 peak   647 ! spec=15N, no=647, id=558, vol=1.730000e+06
    or (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   41 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB#) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   650 ! spec=15N, no=650, id=561, vol=1.230000e+07
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HB#) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   650 ! spec=15N, no=650, id=561, vol=1.230000e+07
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB#) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   650 ! spec=15N, no=650, id=561, vol=1.230000e+07
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name  HB#) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   650 ! spec=15N, no=650, id=561, vol=1.230000e+07
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name   HA) 2.388 0.713 0.713 weight 1.000 spectrum  4 peak   655 ! spec=15N, no=655, id=566, vol=7.780000e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name   HA)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name   HA) 2.388 0.713 0.713 weight 1.000 spectrum  4 peak   655 ! spec=15N, no=655, id=566, vol=7.780000e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name   HA)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name   HA) 2.388 0.713 0.713 weight 1.000 spectrum  4 peak   655 ! spec=15N, no=655, id=566, vol=7.780000e+06
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name   HA)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name   HA) 2.388 0.713 0.713 weight 1.000 spectrum  4 peak   655 ! spec=15N, no=655, id=566, vol=7.780000e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   43 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  4 peak   658 ! spec=15N, no=658, id=569, vol=1.680000e+06
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   43 and name   HA)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   43 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  4 peak   658 ! spec=15N, no=658, id=569, vol=1.680000e+06
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   43 and name   HA)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   43 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  4 peak   658 ! spec=15N, no=658, id=569, vol=1.680000e+06
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   43 and name   HA)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   43 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  4 peak   658 ! spec=15N, no=658, id=569, vol=1.680000e+06
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   43 and name   HA)
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   45 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  4 peak   659 ! spec=15N, no=659, id=570, vol=1.280000e+07
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name  HB#)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   45 and name   HG)
    or (segid "   A" and resid   46 and name   HN) (segid "   A" and resid   46 and name  HB#)
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   45 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  4 peak   659 ! spec=15N, no=659, id=570, vol=1.280000e+07
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name  HB#)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   45 and name   HG)
    or (segid "   B" and resid   46 and name   HN) (segid "   B" and resid   46 and name  HB#)
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   45 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  4 peak   659 ! spec=15N, no=659, id=570, vol=1.280000e+07
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name  HB#)
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   45 and name   HG)
    or (segid "   C" and resid   46 and name   HN) (segid "   C" and resid   46 and name  HB#)
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   45 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  4 peak   659 ! spec=15N, no=659, id=570, vol=1.280000e+07
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name  HB#)
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   45 and name   HG)
    or (segid "   D" and resid   46 and name   HN) (segid "   D" and resid   46 and name  HB#)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB#) 2.978 1.108 1.108 weight 1.000 spectrum  4 peak   661 ! spec=15N, no=661, id=572, vol=2.070000e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HG)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name  HB#) 2.978 1.108 1.108 weight 1.000 spectrum  4 peak   661 ! spec=15N, no=661, id=572, vol=2.070000e+06
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name   HG)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name  HB#) 2.978 1.108 1.108 weight 1.000 spectrum  4 peak   661 ! spec=15N, no=661, id=572, vol=2.070000e+06
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name   HG)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name  HB#) 2.978 1.108 1.108 weight 1.000 spectrum  4 peak   661 ! spec=15N, no=661, id=572, vol=2.070000e+06
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name   HG)
assign (segid "   A" and resid   47 and name   HN) (segid "   C" and resid   19 and name  HE#) 2.520 0.794 0.794 weight 1.000 spectrum  4 peak   664 ! spec=15N, no=664, id=575, vol=5.640000e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB#)
assign (segid "   B" and resid   47 and name   HN) (segid "   D" and resid   19 and name  HE#) 2.520 0.794 0.794 weight 1.000 spectrum  4 peak   664 ! spec=15N, no=664, id=575, vol=5.640000e+06
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HB#)
assign (segid "   C" and resid   47 and name   HN) (segid "   A" and resid   19 and name  HE#) 2.520 0.794 0.794 weight 1.000 spectrum  4 peak   664 ! spec=15N, no=664, id=575, vol=5.640000e+06
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HB#)
assign (segid "   D" and resid   47 and name   HN) (segid "   B" and resid   19 and name  HE#) 2.520 0.794 0.794 weight 1.000 spectrum  4 peak   664 ! spec=15N, no=664, id=575, vol=5.640000e+06
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB#)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  4 peak   666 ! spec=15N, no=666, id=577, vol=7.000000e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name   HA)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  4 peak   666 ! spec=15N, no=666, id=577, vol=7.000000e+06
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name   HA)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  4 peak   666 ! spec=15N, no=666, id=577, vol=7.000000e+06
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name   HA)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  4 peak   666 ! spec=15N, no=666, id=577, vol=7.000000e+06
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name   HA)
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   44 and name   HA) 3.266 1.333 1.433 weight 1.000 spectrum  4 peak   667 ! spec=15N, no=667, id=578, vol=1.190000e+06
    or (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   48 and name   HA)
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   44 and name   HA) 3.266 1.333 1.433 weight 1.000 spectrum  4 peak   667 ! spec=15N, no=667, id=578, vol=1.190000e+06
    or (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   48 and name   HA)
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   44 and name   HA) 3.266 1.333 1.433 weight 1.000 spectrum  4 peak   667 ! spec=15N, no=667, id=578, vol=1.190000e+06
    or (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   48 and name   HA)
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   44 and name   HA) 3.266 1.333 1.433 weight 1.000 spectrum  4 peak   667 ! spec=15N, no=667, id=578, vol=1.190000e+06
    or (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   48 and name   HA)
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   46 and name   HG) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   671 ! spec=15N, no=671, id=581, vol=4.250000e+06
    or (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB#)
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   46 and name   HG) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   671 ! spec=15N, no=671, id=581, vol=4.250000e+06
    or (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name  HB#)
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   46 and name   HG) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   671 ! spec=15N, no=671, id=581, vol=4.250000e+06
    or (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HB#)
assign (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   46 and name   HG) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   671 ! spec=15N, no=671, id=581, vol=4.250000e+06
    or (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   48 and name  HB#)
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG#) 4.437 2.461 2.461 weight 1.000 spectrum  4 peak   694 ! spec=15N, no=694, id=593, vol=1.890000e+05
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HG#) 4.437 2.461 2.461 weight 1.000 spectrum  4 peak   694 ! spec=15N, no=694, id=593, vol=1.890000e+05
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HG#) 4.437 2.461 2.461 weight 1.000 spectrum  4 peak   694 ! spec=15N, no=694, id=593, vol=1.890000e+05
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HG#) 4.437 2.461 2.461 weight 1.000 spectrum  4 peak   694 ! spec=15N, no=694, id=593, vol=1.890000e+05

assign      {         93        }
(        segid "   A"         and       resid     21        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG2#        )
3.284     1.348     1.348     weight    1.000   peak      93        spectrum  5          !vol=9.88E+05  ppm1      4.254     ppm2      0.848     CV        1
or        {         93        }
(        segid "   A"         and       resid     21        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG2#        )
or        {         93        }
(        segid "   A"         and       resid     21        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG2#        )

assign      {         97        }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.681     1.694     1.694     weight    1.000   peak      97        spectrum  5          !vol=4.98E+05  ppm1      0.734     ppm2      1.044     CV        1
or        {         97        }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     17        and       name      HG11        )
or        {         97        }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     17        and       name      HG11        )

assign      {         254       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD1#        )
2.886     1.041     2.475     weight    1.000   peak      254       spectrum  5          !vol=7.16E+07  ppm1      7.660     ppm2      0.738     CV        1
or        {         254       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD1#        )
or        {         254       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD1#        )

assign      {         255       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD2#        )
2.867     1.028     2.308     weight    1.000   peak      255       spectrum  5          !vol=7.45E+07  ppm1      7.656     ppm2      0.732     CV        1
or        {         255       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD2#        )
or        {         255       }
(        segid "   A"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD2#        )

assign      {         414       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     21        and       name      HB2         )
3.232     1.306     2.115     weight    1.000   peak      414       spectrum  5          !vol=1.09E+06  ppm1      0.860     ppm2      1.801     CV        1
or        {         414       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     21        and       name      HB2         )
or        {         414       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     21        and       name      HB2         )

assign      {         418       }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     21        and       name      HB2         )
2.904     1.054     1.249     weight    1.000   peak      418       spectrum  5          !vol=2.07E+06  ppm1      0.734     ppm2      1.817     CV        1
or        {         418       }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     21        and       name      HB2         )
or        {         418       }
(        segid "   A"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     21        and       name      HB2         )

assign      {         525       }
(        segid "   A"         and       resid     44        and       name      HN          )
(        segid "   C"         and       resid     19        and       name      HE#         )
2.909     1.058     3.090     weight    1.000   peak      525       spectrum  5          !vol=6.84E+07  ppm1      7.846     ppm2      2.020     CV        1
or        {         525       }
(        segid "   A"         and       resid     43        and       name      HN          )
(        segid "   C"         and       resid     19        and       name      HE#         )



assign      {         93        }
(        segid "   B"         and       resid     21        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG2#        )
3.284     1.348     1.348     weight    1.000   peak      93        spectrum  5          !vol=9.88E+05  ppm1      4.254     ppm2      0.848     CV        1
or        {         93        }
(        segid "   B"         and       resid     21        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG2#        )
or        {         93        }
(        segid "   B"         and       resid     21        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG2#        )

assign      {         97        }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.681     1.694     1.694     weight    1.000   peak      97        spectrum  5          !vol=4.98E+05  ppm1      0.734     ppm2      1.044     CV        1
or        {         97        }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     17        and       name      HG11        )
or        {         97        }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     17        and       name      HG11        )

assign      {         254       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD1#        )
2.886     1.041     2.475     weight    1.000   peak      254       spectrum  5          !vol=7.16E+07  ppm1      7.660     ppm2      0.738     CV        1
or        {         254       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD1#        )
or        {         254       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD1#        )

assign      {         255       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD2#        )
2.867     1.028     2.308     weight    1.000   peak      255       spectrum  5          !vol=7.45E+07  ppm1      7.656     ppm2      0.732     CV        1
or        {         255       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD2#        )
or        {         255       }
(        segid "   B"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD2#        )

assign      {         414       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     21        and       name      HB2         )
3.232     1.306     2.115     weight    1.000   peak      414       spectrum  5          !vol=1.09E+06  ppm1      0.860     ppm2      1.801     CV        1
or        {         414       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     21        and       name      HB2         )
or        {         414       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     21        and       name      HB2         )

assign      {         418       }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     21        and       name      HB2         )
2.904     1.054     1.249     weight    1.000   peak      418       spectrum  5          !vol=2.07E+06  ppm1      0.734     ppm2      1.817     CV        1
or        {         418       }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     21        and       name      HB2         )
or        {         418       }
(        segid "   B"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     21        and       name      HB2         )

assign      {         525       }
(        segid "   B"         and       resid     44        and       name      HN          )
(        segid "   D"         and       resid     19        and       name      HE#         )
2.909     1.058     3.090     weight    1.000   peak      525       spectrum  5          !vol=6.84E+07  ppm1      7.846     ppm2      2.020     CV        1
or        {         525       }
(        segid "   B"         and       resid     43        and       name      HN          )
(        segid "   D"         and       resid     19        and       name      HE#         )


assign      {         93        }
(        segid "   C"         and       resid     21        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG2#        )
3.284     1.348     1.348     weight    1.000   peak      93        spectrum  5          !vol=9.88E+05  ppm1      4.254     ppm2      0.848     CV        1
or        {         93        }
(        segid "   C"         and       resid     21        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG2#        )
or        {         93        }
(        segid "   C"         and       resid     21        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG2#        )

assign      {         97        }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.681     1.694     1.694     weight    1.000   peak      97        spectrum  5          !vol=4.98E+05  ppm1      0.734     ppm2      1.044     CV        1
or        {         97        }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     17        and       name      HG11        )
or        {         97        }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     17        and       name      HG11        )

assign      {         254       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD1#        )
2.886     1.041     2.475     weight    1.000   peak      254       spectrum  5          !vol=7.16E+07  ppm1      7.660     ppm2      0.738     CV        1
or        {         254       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD1#        )
or        {         254       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD1#        )

assign      {         255       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   D"         and       resid     21        and       name      HD2#        )
2.867     1.028     2.308     weight    1.000   peak      255       spectrum  5          !vol=7.45E+07  ppm1      7.656     ppm2      0.732     CV        1
or        {         255       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD2#        )
or        {         255       }
(        segid "   C"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD2#        )

assign      {         414       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     21        and       name      HB2         )
3.232     1.306     2.115     weight    1.000   peak      414       spectrum  5          !vol=1.09E+06  ppm1      0.860     ppm2      1.801     CV        1
or        {         414       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     21        and       name      HB2         )
or        {         414       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     21        and       name      HB2         )

assign      {         418       }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   D"         and       resid     21        and       name      HB2         )
2.904     1.054     1.249     weight    1.000   peak      418       spectrum  5          !vol=2.07E+06  ppm1      0.734     ppm2      1.817     CV        1
or        {         418       }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     21        and       name      HB2         )
or        {         418       }
(        segid "   C"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     21        and       name      HB2         )

assign      {         525       }
(        segid "   C"         and       resid     44        and       name      HN          )
(        segid "   A"         and       resid     19        and       name      HE#         )
2.909     1.058     3.090     weight    1.000   peak      525       spectrum  5          !vol=6.84E+07  ppm1      7.846     ppm2      2.020     CV        1
or        {         525       }
(        segid "   C"         and       resid     43        and       name      HN          )
(        segid "   A"         and       resid     19        and       name      HE#         )


assign      {         93        }
(        segid "   D"         and       resid     21        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG2#        )
3.284     1.348     1.348     weight    1.000   peak      93        spectrum  5          !vol=9.88E+05  ppm1      4.254     ppm2      0.848     CV        1
or        {         93        }
(        segid "   D"         and       resid     21        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG2#        )
or        {         93        }
(        segid "   D"         and       resid     21        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG2#        )

assign      {         97        }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.681     1.694     1.694     weight    1.000   peak      97        spectrum  5          !vol=4.98E+05  ppm1      0.734     ppm2      1.044     CV        1
or        {         97        }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     17        and       name      HG11        )
or        {         97        }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     17        and       name      HG11        )

assign      {         254       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD1#        )
2.886     1.041     2.475     weight    1.000   peak      254       spectrum  5          !vol=7.16E+07  ppm1      7.660     ppm2      0.738     CV        1
or        {         254       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD1#        )
or        {         254       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD1#        )

assign      {         255       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   C"         and       resid     21        and       name      HD2#        )
2.867     1.028     2.308     weight    1.000   peak      255       spectrum  5          !vol=7.45E+07  ppm1      7.656     ppm2      0.732     CV        1
or        {         255       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   B"         and       resid     21        and       name      HD2#        )
or        {         255       }
(        segid "   D"         and       resid     21        and       name      HN          )
(        segid "   A"         and       resid     21        and       name      HD2#        )

assign      {         414       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     21        and       name      HB2         )
3.232     1.306     2.115     weight    1.000   peak      414       spectrum  5          !vol=1.09E+06  ppm1      0.860     ppm2      1.801     CV        1
or        {         414       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     21        and       name      HB2         )
or        {         414       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     21        and       name      HB2         )

assign      {         418       }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   C"         and       resid     21        and       name      HB2         )
2.904     1.054     1.249     weight    1.000   peak      418       spectrum  5          !vol=2.07E+06  ppm1      0.734     ppm2      1.817     CV        1
or        {         418       }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   B"         and       resid     21        and       name      HB2         )
or        {         418       }
(        segid "   D"         and       resid     21        and       name      HD2#        )
(        segid "   A"         and       resid     21        and       name      HB2         )

assign      {         525       }
(        segid "   D"         and       resid     44        and       name      HN          )
(        segid "   B"         and       resid     19        and       name      HE#         )
2.909     1.058     3.090     weight    1.000   peak      525       spectrum  5          !vol=6.84E+07  ppm1      7.846     ppm2      2.020     CV        1
or        {         525       }
(        segid "   D"         and       resid     43        and       name      HN          )
(        segid "   B"         and       resid     19        and       name      HE#         )

assign    {         902       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     27        and       name      HD1#         )
4.958     1.542     1.542     weight    1.000 spectrum  6  peak  902
OR        {         902       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     27        and       name      HD1#         )
assign    {         902       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     27        and       name      HD1#         )
4.958     1.542     1.542     weight    1.000 spectrum  6  peak  902
OR        {         902       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     27        and       name      HD1#         )
assign    {         902       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     27        and       name      HD1#         )
4.958     1.542     1.542     weight    1.000 spectrum  6  peak  902
OR        {         902       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     27        and       name      HD1#         )
assign    {         902       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     27        and       name      HD1#         )
4.958     1.542     1.542     weight    1.000 spectrum  6  peak  902
OR        {         902       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     27        and       name      HD1#         )

assign    {         905       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     39        and       name      HD#          )
4.125     2.375     2.375     weight    1.000 spectrum  6  peak  905
OR        {         905       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     43        and       name      HE22         )
assign    {         905       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     39        and       name      HD#          )
4.125     2.375     2.375     weight    1.000 spectrum  6  peak  905
OR        {         905       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     43        and       name      HE22         )
assign    {         905       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     39        and       name      HD#          )
4.125     2.375     2.375     weight    1.000 spectrum  6  peak  905
OR        {         905       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     43        and       name      HE22         )
assign    {         905       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     39        and       name      HD#          )
4.125     2.375     2.375     weight    1.000 spectrum  6  peak  905
OR        {         905       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     43        and       name      HE22         )
















assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid    4 and name HG2#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   129 ! spec=13CA, no=129, id=1685, vol=6.240000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid    4 and name HG2#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   129 ! spec=13CA, no=129, id=1685, vol=6.240000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid    4 and name HG2#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   129 ! spec=13CA, no=129, id=1685, vol=6.240000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid    4 and name HG2#) 2.881 2.881 3.119 weight 1.000 spectrum  1 peak   129 ! spec=13CA, no=129, id=1685, vol=6.240000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   17 and name HD1#) 2.382 0.710 0.710 weight 1.000 spectrum  1 peak   142 ! spec=13CA, no=142, id=1695, vol=1.950000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   17 and name HD1#) 2.382 0.710 0.710 weight 1.000 spectrum  1 peak   142 ! spec=13CA, no=142, id=1695, vol=1.950000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   17 and name HD1#) 2.382 0.710 0.710 weight 1.000 spectrum  1 peak   142 ! spec=13CA, no=142, id=1695, vol=1.950000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   17 and name HD1#) 2.382 0.710 0.710 weight 1.000 spectrum  1 peak   142 ! spec=13CA, no=142, id=1695, vol=1.950000e+06
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HD1#) 2.372 2.372 3.628 weight 1.000 spectrum  1 peak   154 ! spec=13CA, no=154, id=1704, vol=2.000000e+06
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HD1#) 2.372 2.372 3.628 weight 1.000 spectrum  1 peak   154 ! spec=13CA, no=154, id=1704, vol=2.000000e+06
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HD1#) 2.372 2.372 3.628 weight 1.000 spectrum  1 peak   154 ! spec=13CA, no=154, id=1704, vol=2.000000e+06
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HD1#) 2.372 2.372 3.628 weight 1.000 spectrum  1 peak   154 ! spec=13CA, no=154, id=1704, vol=2.000000e+06
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HD1#) 2.376 2.376 3.624 weight 1.000 spectrum  1 peak   155 ! spec=13CA, no=155, id=1705, vol=1.980000e+06
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HD1#) 2.376 2.376 3.624 weight 1.000 spectrum  1 peak   155 ! spec=13CA, no=155, id=1705, vol=1.980000e+06
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HD1#) 2.376 2.376 3.624 weight 1.000 spectrum  1 peak   155 ! spec=13CA, no=155, id=1705, vol=1.980000e+06
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HD1#) 2.376 2.376 3.624 weight 1.000 spectrum  1 peak   155 ! spec=13CA, no=155, id=1705, vol=1.980000e+06
assign (segid "   A" and resid   20 and name   HA) (segid "   D" and resid   17 and name HD1#) 3.057 1.168 1.306 weight 1.000 spectrum  1 peak   161 ! spec=13CA, no=161, id=1710, vol=4.370000e+05
assign (segid "   B" and resid   20 and name   HA) (segid "   C" and resid   17 and name HD1#) 3.057 1.168 1.306 weight 1.000 spectrum  1 peak   161 ! spec=13CA, no=161, id=1710, vol=4.370000e+05
assign (segid "   C" and resid   20 and name   HA) (segid "   B" and resid   17 and name HD1#) 3.057 1.168 1.306 weight 1.000 spectrum  1 peak   161 ! spec=13CA, no=161, id=1710, vol=4.370000e+05
assign (segid "   D" and resid   20 and name   HA) (segid "   A" and resid   17 and name HD1#) 3.057 1.168 1.306 weight 1.000 spectrum  1 peak   161 ! spec=13CA, no=161, id=1710, vol=4.370000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    3 and name   HA) 3.113 3.113 2.887 weight 1.000 spectrum  1 peak   169 ! spec=13CA, no=169, id=1718, vol=3.920000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    3 and name   HA) 3.113 3.113 2.887 weight 1.000 spectrum  1 peak   169 ! spec=13CA, no=169, id=1718, vol=3.920000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    3 and name   HA) 3.113 3.113 2.887 weight 1.000 spectrum  1 peak   169 ! spec=13CA, no=169, id=1718, vol=3.920000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    3 and name   HA) 3.113 3.113 2.887 weight 1.000 spectrum  1 peak   169 ! spec=13CA, no=169, id=1718, vol=3.920000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.726 0.929 0.929 weight 1.000 spectrum  1 peak   170 ! spec=13CA, no=170, id=1719, vol=8.690000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.726 0.929 0.929 weight 1.000 spectrum  1 peak   170 ! spec=13CA, no=170, id=1719, vol=8.690000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.726 0.929 0.929 weight 1.000 spectrum  1 peak   170 ! spec=13CA, no=170, id=1719, vol=8.690000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.726 0.929 0.929 weight 1.000 spectrum  1 peak   170 ! spec=13CA, no=170, id=1719, vol=8.690000e+05
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   17 and name HD1#) 3.159 3.159 2.841 weight 1.000 spectrum  1 peak   185 ! spec=13CA, no=185, id=1732, vol=3.590000e+05
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   17 and name HD1#) 3.159 3.159 2.841 weight 1.000 spectrum  1 peak   185 ! spec=13CA, no=185, id=1732, vol=3.590000e+05
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   17 and name HD1#) 3.159 3.159 2.841 weight 1.000 spectrum  1 peak   185 ! spec=13CA, no=185, id=1732, vol=3.590000e+05
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   17 and name HD1#) 3.159 3.159 2.841 weight 1.000 spectrum  1 peak   185 ! spec=13CA, no=185, id=1732, vol=3.590000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid    4 and name HG2#) 4.124 2.126 2.126 weight 1.000 spectrum  1 peak   189 ! spec=13CA, no=189, id=1735, vol=7.250000e+04
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid    4 and name HG2#) 4.124 2.126 2.126 weight 1.000 spectrum  1 peak   189 ! spec=13CA, no=189, id=1735, vol=7.250000e+04
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid    4 and name HG2#) 4.124 2.126 2.126 weight 1.000 spectrum  1 peak   189 ! spec=13CA, no=189, id=1735, vol=7.250000e+04
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid    4 and name HG2#) 4.124 2.126 2.126 weight 1.000 spectrum  1 peak   189 ! spec=13CA, no=189, id=1735, vol=7.250000e+04
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   22 and name  HE#) 2.569 2.569 3.431 weight 1.000 spectrum  1 peak   193 ! spec=13CA, no=193, id=1737, vol=1.240000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   22 and name  HE#) 2.569 2.569 3.431 weight 1.000 spectrum  1 peak   193 ! spec=13CA, no=193, id=1737, vol=1.240000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   22 and name  HE#) 2.569 2.569 3.431 weight 1.000 spectrum  1 peak   193 ! spec=13CA, no=193, id=1737, vol=1.240000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   22 and name  HE#) 2.569 2.569 3.431 weight 1.000 spectrum  1 peak   193 ! spec=13CA, no=193, id=1737, vol=1.240000e+06
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   13 and name   HA) 2.247 2.247 3.753 weight 1.000 spectrum  1 peak   197 ! spec=13CA, no=197, id=1740, vol=2.770000e+06
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   13 and name   HA) 2.247 2.247 3.753 weight 1.000 spectrum  1 peak   197 ! spec=13CA, no=197, id=1740, vol=2.770000e+06
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   13 and name   HA) 2.247 2.247 3.753 weight 1.000 spectrum  1 peak   197 ! spec=13CA, no=197, id=1740, vol=2.770000e+06
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   13 and name   HA) 2.247 2.247 3.753 weight 1.000 spectrum  1 peak   197 ! spec=13CA, no=197, id=1740, vol=2.770000e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   D" and resid   17 and name HD1#) 1.906 1.906 4.094 weight 1.000 spectrum  1 peak   201 ! spec=13CA, no=201, id=1743, vol=7.430000e+06
assign (segid "   B" and resid   21 and name   HA) (segid "   C" and resid   17 and name HD1#) 1.906 1.906 4.094 weight 1.000 spectrum  1 peak   201 ! spec=13CA, no=201, id=1743, vol=7.430000e+06
assign (segid "   C" and resid   21 and name   HA) (segid "   B" and resid   17 and name HD1#) 1.906 1.906 4.094 weight 1.000 spectrum  1 peak   201 ! spec=13CA, no=201, id=1743, vol=7.430000e+06
assign (segid "   D" and resid   21 and name   HA) (segid "   A" and resid   17 and name HD1#) 1.906 1.906 4.094 weight 1.000 spectrum  1 peak   201 ! spec=13CA, no=201, id=1743, vol=7.430000e+06
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   17 and name HG1#) 3.186 3.186 2.814 weight 1.000 spectrum  1 peak   257 ! spec=13CA, no=257, id=1754, vol=3.410000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   17 and name HG1#) 3.186 3.186 2.814 weight 1.000 spectrum  1 peak   257 ! spec=13CA, no=257, id=1754, vol=3.410000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   17 and name HG1#) 3.186 3.186 2.814 weight 1.000 spectrum  1 peak   257 ! spec=13CA, no=257, id=1754, vol=3.410000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   17 and name HG1#) 3.186 3.186 2.814 weight 1.000 spectrum  1 peak   257 ! spec=13CA, no=257, id=1754, vol=3.410000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   17 and name HG1#) 2.821 0.995 2.155 weight 1.000 spectrum  1 peak   260 ! spec=13CA, no=260, id=1757, vol=7.080000e+05
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   17 and name HG1#) 2.821 0.995 2.155 weight 1.000 spectrum  1 peak   260 ! spec=13CA, no=260, id=1757, vol=7.080000e+05
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   17 and name HG1#) 2.821 0.995 2.155 weight 1.000 spectrum  1 peak   260 ! spec=13CA, no=260, id=1757, vol=7.080000e+05
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   17 and name HG1#) 2.821 0.995 2.155 weight 1.000 spectrum  1 peak   260 ! spec=13CA, no=260, id=1757, vol=7.080000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   27 and name   HG) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak   279 ! spec=13CA, no=279, id=1773, vol=3.130000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   27 and name   HG) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak   279 ! spec=13CA, no=279, id=1773, vol=3.130000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   27 and name   HG) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak   279 ! spec=13CA, no=279, id=1773, vol=3.130000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   27 and name   HG) 3.232 1.306 1.306 weight 1.000 spectrum  1 peak   279 ! spec=13CA, no=279, id=1773, vol=3.130000e+05
assign (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   23 and name  HG#) 3.292 1.355 1.355 weight 1.000 spectrum  1 peak   280 ! spec=13CA, no=280, id=1774, vol=2.800000e+05
assign (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   23 and name  HG#) 3.292 1.355 1.355 weight 1.000 spectrum  1 peak   280 ! spec=13CA, no=280, id=1774, vol=2.800000e+05
assign (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   23 and name  HG#) 3.292 1.355 1.355 weight 1.000 spectrum  1 peak   280 ! spec=13CA, no=280, id=1774, vol=2.800000e+05
assign (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   23 and name  HG#) 3.292 1.355 1.355 weight 1.000 spectrum  1 peak   280 ! spec=13CA, no=280, id=1774, vol=2.800000e+05
assign (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   23 and name  HG#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak   281 ! spec=13CA, no=281, id=1775, vol=2.410000e+05
assign (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   23 and name  HG#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak   281 ! spec=13CA, no=281, id=1775, vol=2.410000e+05
assign (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   23 and name  HG#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak   281 ! spec=13CA, no=281, id=1775, vol=2.410000e+05
assign (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   23 and name  HG#) 3.376 1.424 1.424 weight 1.000 spectrum  1 peak   281 ! spec=13CA, no=281, id=1775, vol=2.410000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   18 and name  HB#) 3.657 1.672 1.672 weight 1.000 spectrum  1 peak   286 ! spec=13CA, no=286, id=1780, vol=1.490000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   18 and name  HB#) 3.657 1.672 1.672 weight 1.000 spectrum  1 peak   286 ! spec=13CA, no=286, id=1780, vol=1.490000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   18 and name  HB#) 3.657 1.672 1.672 weight 1.000 spectrum  1 peak   286 ! spec=13CA, no=286, id=1780, vol=1.490000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   18 and name  HB#) 3.657 1.672 1.672 weight 1.000 spectrum  1 peak   286 ! spec=13CA, no=286, id=1780, vol=1.490000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   27 and name   HG) 3.281 3.281 2.719 weight 1.000 spectrum  1 peak   291 ! spec=13CA, no=291, id=1785, vol=2.860000e+05
assign (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   27 and name   HG) 3.281 3.281 2.719 weight 1.000 spectrum  1 peak   291 ! spec=13CA, no=291, id=1785, vol=2.860000e+05
assign (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   27 and name   HG) 3.281 3.281 2.719 weight 1.000 spectrum  1 peak   291 ! spec=13CA, no=291, id=1785, vol=2.860000e+05
assign (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   27 and name   HG) 3.281 3.281 2.719 weight 1.000 spectrum  1 peak   291 ! spec=13CA, no=291, id=1785, vol=2.860000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   27 and name   HG) 3.177 1.261 1.472 weight 1.000 spectrum  1 peak   295 ! spec=13CA, no=295, id=1788, vol=3.470000e+05
assign (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   27 and name   HG) 3.177 1.261 1.472 weight 1.000 spectrum  1 peak   295 ! spec=13CA, no=295, id=1788, vol=3.470000e+05
assign (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   27 and name   HG) 3.177 1.261 1.472 weight 1.000 spectrum  1 peak   295 ! spec=13CA, no=295, id=1788, vol=3.470000e+05
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   27 and name   HG) 3.177 1.261 1.472 weight 1.000 spectrum  1 peak   295 ! spec=13CA, no=295, id=1788, vol=3.470000e+05
assign (segid "   A" and resid   27 and name   HG) (segid "   A" and resid   27 and name   HA) 2.481 2.481 3.519 weight 1.000 spectrum  1 peak   299 ! spec=13CA, no=299, id=1792, vol=1.530000e+06
assign (segid "   B" and resid   27 and name   HG) (segid "   B" and resid   27 and name   HA) 2.481 2.481 3.519 weight 1.000 spectrum  1 peak   299 ! spec=13CA, no=299, id=1792, vol=1.530000e+06
assign (segid "   C" and resid   27 and name   HG) (segid "   C" and resid   27 and name   HA) 2.481 2.481 3.519 weight 1.000 spectrum  1 peak   299 ! spec=13CA, no=299, id=1792, vol=1.530000e+06
assign (segid "   D" and resid   27 and name   HG) (segid "   D" and resid   27 and name   HA) 2.481 2.481 3.519 weight 1.000 spectrum  1 peak   299 ! spec=13CA, no=299, id=1792, vol=1.530000e+06
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   18 and name  HB#) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak   300 ! spec=13CA, no=300, id=1793, vol=1.400000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   18 and name  HB#) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak   300 ! spec=13CA, no=300, id=1793, vol=1.400000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   18 and name  HB#) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak   300 ! spec=13CA, no=300, id=1793, vol=1.400000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   18 and name  HB#) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak   300 ! spec=13CA, no=300, id=1793, vol=1.400000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   18 and name  HB#) 4.014 2.014 2.014 weight 1.000 spectrum  1 peak   305 ! spec=13CA, no=305, id=1797, vol=8.520000e+04
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   18 and name  HB#) 4.014 2.014 2.014 weight 1.000 spectrum  1 peak   305 ! spec=13CA, no=305, id=1797, vol=8.520000e+04
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   18 and name  HB#) 4.014 2.014 2.014 weight 1.000 spectrum  1 peak   305 ! spec=13CA, no=305, id=1797, vol=8.520000e+04
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   18 and name  HB#) 4.014 2.014 2.014 weight 1.000 spectrum  1 peak   305 ! spec=13CA, no=305, id=1797, vol=8.520000e+04
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   21 and name  HB#) 2.613 0.854 0.854 weight 1.000 spectrum  1 peak   310 ! spec=13CA, no=310, id=1801, vol=1.120000e+06
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   21 and name  HB#) 2.613 0.854 0.854 weight 1.000 spectrum  1 peak   310 ! spec=13CA, no=310, id=1801, vol=1.120000e+06
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   21 and name  HB#) 2.613 0.854 0.854 weight 1.000 spectrum  1 peak   310 ! spec=13CA, no=310, id=1801, vol=1.120000e+06
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   21 and name  HB#) 2.613 0.854 0.854 weight 1.000 spectrum  1 peak   310 ! spec=13CA, no=310, id=1801, vol=1.120000e+06
assign (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   25 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak   329 ! spec=13CA, no=329, id=1802, vol=2.370000e+05
assign (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   25 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak   329 ! spec=13CA, no=329, id=1802, vol=2.370000e+05
assign (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   25 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak   329 ! spec=13CA, no=329, id=1802, vol=2.370000e+05
assign (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   25 and name  HB#) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak   329 ! spec=13CA, no=329, id=1802, vol=2.370000e+05
assign (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   25 and name  HB#) 3.990 1.990 1.990 weight 1.000 spectrum  1 peak   341 ! spec=13CA, no=341, id=1810, vol=8.840000e+04
assign (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   25 and name  HB#) 3.990 1.990 1.990 weight 1.000 spectrum  1 peak   341 ! spec=13CA, no=341, id=1810, vol=8.840000e+04
assign (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   25 and name  HB#) 3.990 1.990 1.990 weight 1.000 spectrum  1 peak   341 ! spec=13CA, no=341, id=1810, vol=8.840000e+04
assign (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   25 and name  HB#) 3.990 1.990 1.990 weight 1.000 spectrum  1 peak   341 ! spec=13CA, no=341, id=1810, vol=8.840000e+04
assign (segid "   A" and resid   14 and name   HA) (segid "   B" and resid   25 and name  HB#) 3.491 1.523 1.523 weight 1.000 spectrum  1 peak   346 ! spec=13CA, no=346, id=1815, vol=1.970000e+05
assign (segid "   B" and resid   14 and name   HA) (segid "   A" and resid   25 and name  HB#) 3.491 1.523 1.523 weight 1.000 spectrum  1 peak   346 ! spec=13CA, no=346, id=1815, vol=1.970000e+05
assign (segid "   C" and resid   14 and name   HA) (segid "   D" and resid   25 and name  HB#) 3.491 1.523 1.523 weight 1.000 spectrum  1 peak   346 ! spec=13CA, no=346, id=1815, vol=1.970000e+05
assign (segid "   D" and resid   14 and name   HA) (segid "   C" and resid   25 and name  HB#) 3.491 1.523 1.523 weight 1.000 spectrum  1 peak   346 ! spec=13CA, no=346, id=1815, vol=1.970000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name  HG#) 3.110 1.209 1.209 weight 1.000 spectrum  1 peak   349 ! spec=13CA, no=349, id=1817, vol=3.940000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name  HG#) 3.110 1.209 1.209 weight 1.000 spectrum  1 peak   349 ! spec=13CA, no=349, id=1817, vol=3.940000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name  HG#) 3.110 1.209 1.209 weight 1.000 spectrum  1 peak   349 ! spec=13CA, no=349, id=1817, vol=3.940000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name  HG#) 3.110 1.209 1.209 weight 1.000 spectrum  1 peak   349 ! spec=13CA, no=349, id=1817, vol=3.940000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name  HG#) 3.189 1.271 1.271 weight 1.000 spectrum  1 peak   350 ! spec=13CA, no=350, id=1818, vol=3.390000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   22 and name  HG#) 3.189 1.271 1.271 weight 1.000 spectrum  1 peak   350 ! spec=13CA, no=350, id=1818, vol=3.390000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   22 and name  HG#) 3.189 1.271 1.271 weight 1.000 spectrum  1 peak   350 ! spec=13CA, no=350, id=1818, vol=3.390000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   22 and name  HG#) 3.189 1.271 1.271 weight 1.000 spectrum  1 peak   350 ! spec=13CA, no=350, id=1818, vol=3.390000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   19 and name   HA) 3.043 3.043 2.957 weight 1.000 spectrum  1 peak   353 ! spec=13CA, no=353, id=1821, vol=4.490000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   19 and name   HA) 3.043 3.043 2.957 weight 1.000 spectrum  1 peak   353 ! spec=13CA, no=353, id=1821, vol=4.490000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   19 and name   HA) 3.043 3.043 2.957 weight 1.000 spectrum  1 peak   353 ! spec=13CA, no=353, id=1821, vol=4.490000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   19 and name   HA) 3.043 3.043 2.957 weight 1.000 spectrum  1 peak   353 ! spec=13CA, no=353, id=1821, vol=4.490000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name  HE#) 2.749 0.945 0.945 weight 1.000 spectrum  1 peak   357 ! spec=13CA, no=357, id=1823, vol=8.260000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name  HE#) 2.749 0.945 0.945 weight 1.000 spectrum  1 peak   357 ! spec=13CA, no=357, id=1823, vol=8.260000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name  HE#) 2.749 0.945 0.945 weight 1.000 spectrum  1 peak   357 ! spec=13CA, no=357, id=1823, vol=8.260000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name  HE#) 2.749 0.945 0.945 weight 1.000 spectrum  1 peak   357 ! spec=13CA, no=357, id=1823, vol=8.260000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   26 and name  HG#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak   358 ! spec=13CA, no=358, id=1824, vol=1.590000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   26 and name  HG#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak   358 ! spec=13CA, no=358, id=1824, vol=1.590000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   26 and name  HG#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak   358 ! spec=13CA, no=358, id=1824, vol=1.590000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   26 and name  HG#) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak   358 ! spec=13CA, no=358, id=1824, vol=1.590000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   22 and name  HG#) 3.808 1.812 1.812 weight 1.000 spectrum  1 peak   359 ! spec=13CA, no=359, id=1825, vol=1.170000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   22 and name  HG#) 3.808 1.812 1.812 weight 1.000 spectrum  1 peak   359 ! spec=13CA, no=359, id=1825, vol=1.170000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   22 and name  HG#) 3.808 1.812 1.812 weight 1.000 spectrum  1 peak   359 ! spec=13CA, no=359, id=1825, vol=1.170000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   22 and name  HG#) 3.808 1.812 1.812 weight 1.000 spectrum  1 peak   359 ! spec=13CA, no=359, id=1825, vol=1.170000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak   360 ! spec=13CA, no=360, id=1826, vol=6.650000e+05
assign (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak   360 ! spec=13CA, no=360, id=1826, vol=6.650000e+05
assign (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak   360 ! spec=13CA, no=360, id=1826, vol=6.650000e+05
assign (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HG#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak   360 ! spec=13CA, no=360, id=1826, vol=6.650000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   13 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak   377 ! spec=13CA, no=377, id=1836, vol=3.730000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   13 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak   377 ! spec=13CA, no=377, id=1836, vol=3.730000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   13 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak   377 ! spec=13CA, no=377, id=1836, vol=3.730000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   13 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak   377 ! spec=13CA, no=377, id=1836, vol=3.730000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name  HD#) 2.134 0.569 0.569 weight 1.000 spectrum  1 peak   380 ! spec=13CA, no=380, id=1839, vol=3.780000e+06
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name  HD#) 2.134 0.569 0.569 weight 1.000 spectrum  1 peak   380 ! spec=13CA, no=380, id=1839, vol=3.780000e+06
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name  HD#) 2.134 0.569 0.569 weight 1.000 spectrum  1 peak   380 ! spec=13CA, no=380, id=1839, vol=3.780000e+06
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name  HD#) 2.134 0.569 0.569 weight 1.000 spectrum  1 peak   380 ! spec=13CA, no=380, id=1839, vol=3.780000e+06
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HE#) 2.524 0.796 0.796 weight 1.000 spectrum  1 peak   381 ! spec=13CA, no=381, id=1840, vol=1.380000e+06
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HE#) 2.524 0.796 0.796 weight 1.000 spectrum  1 peak   381 ! spec=13CA, no=381, id=1840, vol=1.380000e+06
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HE#) 2.524 0.796 0.796 weight 1.000 spectrum  1 peak   381 ! spec=13CA, no=381, id=1840, vol=1.380000e+06
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HE#) 2.524 0.796 0.796 weight 1.000 spectrum  1 peak   381 ! spec=13CA, no=381, id=1840, vol=1.380000e+06
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HE#) 2.527 2.527 3.473 weight 1.000 spectrum  1 peak   382 ! spec=13CA, no=382, id=1841, vol=1.370000e+06
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HE#) 2.527 2.527 3.473 weight 1.000 spectrum  1 peak   382 ! spec=13CA, no=382, id=1841, vol=1.370000e+06
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HE#) 2.527 2.527 3.473 weight 1.000 spectrum  1 peak   382 ! spec=13CA, no=382, id=1841, vol=1.370000e+06
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HE#) 2.527 2.527 3.473 weight 1.000 spectrum  1 peak   382 ! spec=13CA, no=382, id=1841, vol=1.370000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  1 peak   385 ! spec=13CA, no=385, id=1844, vol=5.610000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  1 peak   385 ! spec=13CA, no=385, id=1844, vol=5.610000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  1 peak   385 ! spec=13CA, no=385, id=1844, vol=5.610000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.932 1.075 1.075 weight 1.000 spectrum  1 peak   385 ! spec=13CA, no=385, id=1844, vol=5.610000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   35 and name  HB#) 3.626 3.626 2.374 weight 1.000 spectrum  1 peak   402 ! spec=13CA, no=402, id=1855, vol=1.570000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   35 and name  HB#) 3.626 3.626 2.374 weight 1.000 spectrum  1 peak   402 ! spec=13CA, no=402, id=1855, vol=1.570000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   35 and name  HB#) 3.626 3.626 2.374 weight 1.000 spectrum  1 peak   402 ! spec=13CA, no=402, id=1855, vol=1.570000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   35 and name  HB#) 3.626 3.626 2.374 weight 1.000 spectrum  1 peak   402 ! spec=13CA, no=402, id=1855, vol=1.570000e+05
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name  HB#) 3.581 1.603 1.603 weight 1.000 spectrum  1 peak   404 ! spec=13CA, no=404, id=1856, vol=1.690000e+05
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name  HB#) 3.581 1.603 1.603 weight 1.000 spectrum  1 peak   404 ! spec=13CA, no=404, id=1856, vol=1.690000e+05
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name  HB#) 3.581 1.603 1.603 weight 1.000 spectrum  1 peak   404 ! spec=13CA, no=404, id=1856, vol=1.690000e+05
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name  HB#) 3.581 1.603 1.603 weight 1.000 spectrum  1 peak   404 ! spec=13CA, no=404, id=1856, vol=1.690000e+05
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   38 and name  HB#) 3.622 1.640 1.640 weight 1.000 spectrum  1 peak   405 ! spec=13CA, no=405, id=1857, vol=1.580000e+05
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   38 and name  HB#) 3.622 1.640 1.640 weight 1.000 spectrum  1 peak   405 ! spec=13CA, no=405, id=1857, vol=1.580000e+05
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   38 and name  HB#) 3.622 1.640 1.640 weight 1.000 spectrum  1 peak   405 ! spec=13CA, no=405, id=1857, vol=1.580000e+05
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   38 and name  HB#) 3.622 1.640 1.640 weight 1.000 spectrum  1 peak   405 ! spec=13CA, no=405, id=1857, vol=1.580000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name   HA) 2.562 0.821 0.821 weight 1.000 spectrum  1 peak   410 ! spec=13CA, no=410, id=1862, vol=1.260000e+06
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name   HA) 2.562 0.821 0.821 weight 1.000 spectrum  1 peak   410 ! spec=13CA, no=410, id=1862, vol=1.260000e+06
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name   HA) 2.562 0.821 0.821 weight 1.000 spectrum  1 peak   410 ! spec=13CA, no=410, id=1862, vol=1.260000e+06
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name   HA) 2.562 0.821 0.821 weight 1.000 spectrum  1 peak   410 ! spec=13CA, no=410, id=1862, vol=1.260000e+06
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   411 ! spec=13CA, no=411, id=1863, vol=1.660000e+06
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   411 ! spec=13CA, no=411, id=1863, vol=1.660000e+06
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   411 ! spec=13CA, no=411, id=1863, vol=1.660000e+06
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   411 ! spec=13CA, no=411, id=1863, vol=1.660000e+06
assign (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   48 and name   HA) 2.319 2.319 3.681 weight 1.000 spectrum  1 peak   412 ! spec=13CA, no=412, id=1864, vol=2.290000e+06
assign (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   48 and name   HA) 2.319 2.319 3.681 weight 1.000 spectrum  1 peak   412 ! spec=13CA, no=412, id=1864, vol=2.290000e+06
assign (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   48 and name   HA) 2.319 2.319 3.681 weight 1.000 spectrum  1 peak   412 ! spec=13CA, no=412, id=1864, vol=2.290000e+06
assign (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   48 and name   HA) 2.319 2.319 3.681 weight 1.000 spectrum  1 peak   412 ! spec=13CA, no=412, id=1864, vol=2.290000e+06
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HG#) 2.149 2.149 3.851 weight 1.000 spectrum  1 peak   415 ! spec=13CA, no=415, id=1866, vol=3.620000e+06
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HG#) 2.149 2.149 3.851 weight 1.000 spectrum  1 peak   415 ! spec=13CA, no=415, id=1866, vol=3.620000e+06
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HG#) 2.149 2.149 3.851 weight 1.000 spectrum  1 peak   415 ! spec=13CA, no=415, id=1866, vol=3.620000e+06
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HG#) 2.149 2.149 3.851 weight 1.000 spectrum  1 peak   415 ! spec=13CA, no=415, id=1866, vol=3.620000e+06
assign (segid "   A" and resid   48 and name  HG#) (segid "   A" and resid   47 and name  HB#) 3.086 1.190 1.190 weight 1.000 spectrum  1 peak   428 ! spec=13CA, no=428, id=1873, vol=4.130000e+05
assign (segid "   B" and resid   48 and name  HG#) (segid "   B" and resid   47 and name  HB#) 3.086 1.190 1.190 weight 1.000 spectrum  1 peak   428 ! spec=13CA, no=428, id=1873, vol=4.130000e+05
assign (segid "   C" and resid   48 and name  HG#) (segid "   C" and resid   47 and name  HB#) 3.086 1.190 1.190 weight 1.000 spectrum  1 peak   428 ! spec=13CA, no=428, id=1873, vol=4.130000e+05
assign (segid "   D" and resid   48 and name  HG#) (segid "   D" and resid   47 and name  HB#) 3.086 1.190 1.190 weight 1.000 spectrum  1 peak   428 ! spec=13CA, no=428, id=1873, vol=4.130000e+05
assign (segid "   A" and resid   46 and name  HB#) (segid "   A" and resid   46 and name   HA) 2.023 0.511 0.511 weight 1.000 spectrum  1 peak   445 ! spec=13CA, no=445, id=1885, vol=5.210000e+06
assign (segid "   B" and resid   46 and name  HB#) (segid "   B" and resid   46 and name   HA) 2.023 0.511 0.511 weight 1.000 spectrum  1 peak   445 ! spec=13CA, no=445, id=1885, vol=5.210000e+06
assign (segid "   C" and resid   46 and name  HB#) (segid "   C" and resid   46 and name   HA) 2.023 0.511 0.511 weight 1.000 spectrum  1 peak   445 ! spec=13CA, no=445, id=1885, vol=5.210000e+06
assign (segid "   D" and resid   46 and name  HB#) (segid "   D" and resid   46 and name   HA) 2.023 0.511 0.511 weight 1.000 spectrum  1 peak   445 ! spec=13CA, no=445, id=1885, vol=5.210000e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HG#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak   446 ! spec=13CA, no=446, id=1886, vol=1.960000e+05
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HG#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak   446 ! spec=13CA, no=446, id=1886, vol=1.960000e+05
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HG#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak   446 ! spec=13CA, no=446, id=1886, vol=1.960000e+05
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HG#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak   446 ! spec=13CA, no=446, id=1886, vol=1.960000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name  HG#) 2.946 1.085 1.232 weight 1.000 spectrum  1 peak   449 ! spec=13CA, no=449, id=1889, vol=5.450000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name  HG#) 2.946 1.085 1.232 weight 1.000 spectrum  1 peak   449 ! spec=13CA, no=449, id=1889, vol=5.450000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name  HG#) 2.946 1.085 1.232 weight 1.000 spectrum  1 peak   449 ! spec=13CA, no=449, id=1889, vol=5.450000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name  HG#) 2.946 1.085 1.232 weight 1.000 spectrum  1 peak   449 ! spec=13CA, no=449, id=1889, vol=5.450000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name  HG#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak   450 ! spec=13CA, no=450, id=1890, vol=2.500000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   22 and name  HG#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak   450 ! spec=13CA, no=450, id=1890, vol=2.500000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   22 and name  HG#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak   450 ! spec=13CA, no=450, id=1890, vol=2.500000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   22 and name  HG#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak   450 ! spec=13CA, no=450, id=1890, vol=2.500000e+05
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   45 and name   HA) 2.066 2.066 3.934 weight 1.000 spectrum  1 peak   453 ! spec=13CA, no=453, id=1893, vol=4.590000e+06
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   45 and name   HA) 2.066 2.066 3.934 weight 1.000 spectrum  1 peak   453 ! spec=13CA, no=453, id=1893, vol=4.590000e+06
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   45 and name   HA) 2.066 2.066 3.934 weight 1.000 spectrum  1 peak   453 ! spec=13CA, no=453, id=1893, vol=4.590000e+06
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   45 and name   HA) 2.066 2.066 3.934 weight 1.000 spectrum  1 peak   453 ! spec=13CA, no=453, id=1893, vol=4.590000e+06
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HA) 2.340 0.685 0.685 weight 1.000 spectrum  1 peak   454 ! spec=13CA, no=454, id=1894, vol=2.170000e+06
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HA) 2.340 0.685 0.685 weight 1.000 spectrum  1 peak   454 ! spec=13CA, no=454, id=1894, vol=2.170000e+06
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HA) 2.340 0.685 0.685 weight 1.000 spectrum  1 peak   454 ! spec=13CA, no=454, id=1894, vol=2.170000e+06
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HA) 2.340 0.685 0.685 weight 1.000 spectrum  1 peak   454 ! spec=13CA, no=454, id=1894, vol=2.170000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HE#) 2.057 0.529 0.529 weight 1.000 spectrum  1 peak   463 ! spec=13CA, no=463, id=1897, vol=4.710000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HE#) 2.057 0.529 0.529 weight 1.000 spectrum  1 peak   463 ! spec=13CA, no=463, id=1897, vol=4.710000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HE#) 2.057 0.529 0.529 weight 1.000 spectrum  1 peak   463 ! spec=13CA, no=463, id=1897, vol=4.710000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HE#) 2.057 0.529 0.529 weight 1.000 spectrum  1 peak   463 ! spec=13CA, no=463, id=1897, vol=4.710000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HE#) 2.061 0.531 0.531 weight 1.000 spectrum  1 peak   464 ! spec=13CA, no=464, id=1898, vol=4.650000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HE#) 2.061 0.531 0.531 weight 1.000 spectrum  1 peak   464 ! spec=13CA, no=464, id=1898, vol=4.650000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HE#) 2.061 0.531 0.531 weight 1.000 spectrum  1 peak   464 ! spec=13CA, no=464, id=1898, vol=4.650000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HE#) 2.061 0.531 0.531 weight 1.000 spectrum  1 peak   464 ! spec=13CA, no=464, id=1898, vol=4.650000e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   D" and resid   20 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak   466 ! spec=13CA, no=466, id=1900, vol=1.120000e+05
assign (segid "   B" and resid   17 and name   HB) (segid "   C" and resid   20 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak   466 ! spec=13CA, no=466, id=1900, vol=1.120000e+05
assign (segid "   C" and resid   17 and name   HB) (segid "   B" and resid   20 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak   466 ! spec=13CA, no=466, id=1900, vol=1.120000e+05
assign (segid "   D" and resid   17 and name   HB) (segid "   A" and resid   20 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak   466 ! spec=13CA, no=466, id=1900, vol=1.120000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HD#) 2.457 2.457 3.543 weight 1.000 spectrum  1 peak   480 ! spec=13CA, no=480, id=1906, vol=1.620000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HD#) 2.457 2.457 3.543 weight 1.000 spectrum  1 peak   480 ! spec=13CA, no=480, id=1906, vol=1.620000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HD#) 2.457 2.457 3.543 weight 1.000 spectrum  1 peak   480 ! spec=13CA, no=480, id=1906, vol=1.620000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HD#) 2.457 2.457 3.543 weight 1.000 spectrum  1 peak   480 ! spec=13CA, no=480, id=1906, vol=1.620000e+06
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HB#) 1.490 0.277 0.277 weight 1.000 spectrum  1 peak   481 ! spec=13CA, no=481, id=1907, vol=3.260000e+07
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HB#) 1.490 0.277 0.277 weight 1.000 spectrum  1 peak   481 ! spec=13CA, no=481, id=1907, vol=3.260000e+07
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HB#) 1.490 0.277 0.277 weight 1.000 spectrum  1 peak   481 ! spec=13CA, no=481, id=1907, vol=3.260000e+07
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HB#) 1.490 0.277 0.277 weight 1.000 spectrum  1 peak   481 ! spec=13CA, no=481, id=1907, vol=3.260000e+07
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HB#) 1.791 0.401 0.401 weight 1.000 spectrum  1 peak   483 ! spec=13CA, no=483, id=1908, vol=1.080000e+07
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HB#) 1.791 0.401 0.401 weight 1.000 spectrum  1 peak   483 ! spec=13CA, no=483, id=1908, vol=1.080000e+07
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HB#) 1.791 0.401 0.401 weight 1.000 spectrum  1 peak   483 ! spec=13CA, no=483, id=1908, vol=1.080000e+07
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HB#) 1.791 0.401 0.401 weight 1.000 spectrum  1 peak   483 ! spec=13CA, no=483, id=1908, vol=1.080000e+07
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   12 and name  HG#) 2.118 0.561 0.561 weight 1.000 spectrum  1 peak   492 ! spec=13CA, no=492, id=1913, vol=3.950000e+06
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   12 and name  HG#) 2.118 0.561 0.561 weight 1.000 spectrum  1 peak   492 ! spec=13CA, no=492, id=1913, vol=3.950000e+06
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   12 and name  HG#) 2.118 0.561 0.561 weight 1.000 spectrum  1 peak   492 ! spec=13CA, no=492, id=1913, vol=3.950000e+06
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   12 and name  HG#) 2.118 0.561 0.561 weight 1.000 spectrum  1 peak   492 ! spec=13CA, no=492, id=1913, vol=3.950000e+06
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name   HA) 2.190 0.600 0.600 weight 1.000 spectrum  1 peak   497 ! spec=13CA, no=497, id=1918, vol=3.230000e+06
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name   HA) 2.190 0.600 0.600 weight 1.000 spectrum  1 peak   497 ! spec=13CA, no=497, id=1918, vol=3.230000e+06
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name   HA) 2.190 0.600 0.600 weight 1.000 spectrum  1 peak   497 ! spec=13CA, no=497, id=1918, vol=3.230000e+06
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name   HA) 2.190 0.600 0.600 weight 1.000 spectrum  1 peak   497 ! spec=13CA, no=497, id=1918, vol=3.230000e+06
assign (segid "   A" and resid   30 and name   HG) (segid "   A" and resid   30 and name   HA) 2.217 2.217 3.783 weight 1.000 spectrum  1 peak   499 ! spec=13CA, no=499, id=1920, vol=3.000000e+06
assign (segid "   B" and resid   30 and name   HG) (segid "   B" and resid   30 and name   HA) 2.217 2.217 3.783 weight 1.000 spectrum  1 peak   499 ! spec=13CA, no=499, id=1920, vol=3.000000e+06
assign (segid "   C" and resid   30 and name   HG) (segid "   C" and resid   30 and name   HA) 2.217 2.217 3.783 weight 1.000 spectrum  1 peak   499 ! spec=13CA, no=499, id=1920, vol=3.000000e+06
assign (segid "   D" and resid   30 and name   HG) (segid "   D" and resid   30 and name   HA) 2.217 2.217 3.783 weight 1.000 spectrum  1 peak   499 ! spec=13CA, no=499, id=1920, vol=3.000000e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HB#) 3.064 1.173 1.173 weight 1.000 spectrum  1 peak   514 ! spec=13CA, no=514, id=1930, vol=4.310000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HB#) 3.064 1.173 1.173 weight 1.000 spectrum  1 peak   514 ! spec=13CA, no=514, id=1930, vol=4.310000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HB#) 3.064 1.173 1.173 weight 1.000 spectrum  1 peak   514 ! spec=13CA, no=514, id=1930, vol=4.310000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HB#) 3.064 1.173 1.173 weight 1.000 spectrum  1 peak   514 ! spec=13CA, no=514, id=1930, vol=4.310000e+05
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   38 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak   520 ! spec=13CA, no=520, id=1934, vol=1.700000e+05
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   38 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak   520 ! spec=13CA, no=520, id=1934, vol=1.700000e+05
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   38 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak   520 ! spec=13CA, no=520, id=1934, vol=1.700000e+05
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   38 and name  HB#) 3.578 1.600 1.600 weight 1.000 spectrum  1 peak   520 ! spec=13CA, no=520, id=1934, vol=1.700000e+05
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   35 and name   HA) 2.566 2.566 3.434 weight 1.000 spectrum  1 peak   523 ! spec=13CA, no=523, id=1937, vol=1.250000e+06
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   35 and name   HA) 2.566 2.566 3.434 weight 1.000 spectrum  1 peak   523 ! spec=13CA, no=523, id=1937, vol=1.250000e+06
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   35 and name   HA) 2.566 2.566 3.434 weight 1.000 spectrum  1 peak   523 ! spec=13CA, no=523, id=1937, vol=1.250000e+06
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   35 and name   HA) 2.566 2.566 3.434 weight 1.000 spectrum  1 peak   523 ! spec=13CA, no=523, id=1937, vol=1.250000e+06
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HD#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   532 ! spec=13CA, no=532, id=1945, vol=2.000000e+06
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HD#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   532 ! spec=13CA, no=532, id=1945, vol=2.000000e+06
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HD#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   532 ! spec=13CA, no=532, id=1945, vol=2.000000e+06
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HD#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   532 ! spec=13CA, no=532, id=1945, vol=2.000000e+06
assign (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HB#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak   538 ! spec=13CA, no=538, id=1950, vol=1.530000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HB#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak   538 ! spec=13CA, no=538, id=1950, vol=1.530000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HB#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak   538 ! spec=13CA, no=538, id=1950, vol=1.530000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HB#) 3.641 1.657 1.657 weight 1.000 spectrum  1 peak   538 ! spec=13CA, no=538, id=1950, vol=1.530000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid    7 and name   HG) 2.726 0.929 1.095 weight 1.000 spectrum  1 peak   549 ! spec=13CA, no=549, id=1956, vol=8.690000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid    7 and name   HG) 2.726 0.929 1.095 weight 1.000 spectrum  1 peak   549 ! spec=13CA, no=549, id=1956, vol=8.690000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid    7 and name   HG) 2.726 0.929 1.095 weight 1.000 spectrum  1 peak   549 ! spec=13CA, no=549, id=1956, vol=8.690000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid    7 and name   HG) 2.726 0.929 1.095 weight 1.000 spectrum  1 peak   549 ! spec=13CA, no=549, id=1956, vol=8.690000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   C" and resid   27 and name  HB#) 3.528 1.556 1.556 weight 1.000 spectrum  1 peak   563 ! spec=13CA, no=563, id=1965, vol=1.850000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   D" and resid   27 and name  HB#) 3.528 1.556 1.556 weight 1.000 spectrum  1 peak   563 ! spec=13CA, no=563, id=1965, vol=1.850000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   A" and resid   27 and name  HB#) 3.528 1.556 1.556 weight 1.000 spectrum  1 peak   563 ! spec=13CA, no=563, id=1965, vol=1.850000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   B" and resid   27 and name  HB#) 3.528 1.556 1.556 weight 1.000 spectrum  1 peak   563 ! spec=13CA, no=563, id=1965, vol=1.850000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name   HA) 2.403 0.722 0.722 weight 1.000 spectrum  1 peak   564 ! spec=13CA, no=564, id=1966, vol=1.850000e+06
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name   HA) 2.403 0.722 0.722 weight 1.000 spectrum  1 peak   564 ! spec=13CA, no=564, id=1966, vol=1.850000e+06
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name   HA) 2.403 0.722 0.722 weight 1.000 spectrum  1 peak   564 ! spec=13CA, no=564, id=1966, vol=1.850000e+06
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name   HA) 2.403 0.722 0.722 weight 1.000 spectrum  1 peak   564 ! spec=13CA, no=564, id=1966, vol=1.850000e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name  HB#) 2.997 1.123 1.248 weight 1.000 spectrum  1 peak   575 ! spec=13CA, no=575, id=1977, vol=4.920000e+05
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name  HB#) 2.997 1.123 1.248 weight 1.000 spectrum  1 peak   575 ! spec=13CA, no=575, id=1977, vol=4.920000e+05
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name  HB#) 2.997 1.123 1.248 weight 1.000 spectrum  1 peak   575 ! spec=13CA, no=575, id=1977, vol=4.920000e+05
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name  HB#) 2.997 1.123 1.248 weight 1.000 spectrum  1 peak   575 ! spec=13CA, no=575, id=1977, vol=4.920000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name   HA) 2.328 0.677 0.677 weight 1.000 spectrum  1 peak   578 ! spec=13CA, no=578, id=1980, vol=2.240000e+06
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name   HA) 2.328 0.677 0.677 weight 1.000 spectrum  1 peak   578 ! spec=13CA, no=578, id=1980, vol=2.240000e+06
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name   HA) 2.328 0.677 0.677 weight 1.000 spectrum  1 peak   578 ! spec=13CA, no=578, id=1980, vol=2.240000e+06
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name   HA) 2.328 0.677 0.677 weight 1.000 spectrum  1 peak   578 ! spec=13CA, no=578, id=1980, vol=2.240000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HD#) 2.333 2.333 3.667 weight 1.000 spectrum  1 peak   585 ! spec=13CA, no=585, id=1985, vol=2.210000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HD#) 2.333 2.333 3.667 weight 1.000 spectrum  1 peak   585 ! spec=13CA, no=585, id=1985, vol=2.210000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HD#) 2.333 2.333 3.667 weight 1.000 spectrum  1 peak   585 ! spec=13CA, no=585, id=1985, vol=2.210000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HD#) 2.333 2.333 3.667 weight 1.000 spectrum  1 peak   585 ! spec=13CA, no=585, id=1985, vol=2.210000e+06
assign (segid "   A" and resid   14 and name  HB#) (segid "   B" and resid   25 and name  HB#) 3.544 1.570 1.570 weight 1.000 spectrum  1 peak   588 ! spec=13CA, no=588, id=1986, vol=1.800000e+05
assign (segid "   B" and resid   14 and name  HB#) (segid "   A" and resid   25 and name  HB#) 3.544 1.570 1.570 weight 1.000 spectrum  1 peak   588 ! spec=13CA, no=588, id=1986, vol=1.800000e+05
assign (segid "   C" and resid   14 and name  HB#) (segid "   D" and resid   25 and name  HB#) 3.544 1.570 1.570 weight 1.000 spectrum  1 peak   588 ! spec=13CA, no=588, id=1986, vol=1.800000e+05
assign (segid "   D" and resid   14 and name  HB#) (segid "   C" and resid   25 and name  HB#) 3.544 1.570 1.570 weight 1.000 spectrum  1 peak   588 ! spec=13CA, no=588, id=1986, vol=1.800000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   B" and resid   10 and name  HB#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak   605 ! spec=13CA, no=605, id=1996, vol=2.440000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   A" and resid   10 and name  HB#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak   605 ! spec=13CA, no=605, id=1996, vol=2.440000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   D" and resid   10 and name  HB#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak   605 ! spec=13CA, no=605, id=1996, vol=2.440000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   C" and resid   10 and name  HB#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak   605 ! spec=13CA, no=605, id=1996, vol=2.440000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HB#) 3.032 1.149 1.149 weight 1.000 spectrum  1 peak   619 ! spec=13CA, no=619, id=2002, vol=4.590000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HB#) 3.032 1.149 1.149 weight 1.000 spectrum  1 peak   619 ! spec=13CA, no=619, id=2002, vol=4.590000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HB#) 3.032 1.149 1.149 weight 1.000 spectrum  1 peak   619 ! spec=13CA, no=619, id=2002, vol=4.590000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HB#) 3.032 1.149 1.149 weight 1.000 spectrum  1 peak   619 ! spec=13CA, no=619, id=2002, vol=4.590000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid    8 and name  HB#) 3.126 1.222 1.582 weight 1.000 spectrum  1 peak   625 ! spec=13CA, no=625, id=2007, vol=3.820000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid    8 and name  HB#) 3.126 1.222 1.582 weight 1.000 spectrum  1 peak   625 ! spec=13CA, no=625, id=2007, vol=3.820000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid    8 and name  HB#) 3.126 1.222 1.582 weight 1.000 spectrum  1 peak   625 ! spec=13CA, no=625, id=2007, vol=3.820000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid    8 and name  HB#) 3.126 1.222 1.582 weight 1.000 spectrum  1 peak   625 ! spec=13CA, no=625, id=2007, vol=3.820000e+05
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    2 and name   HA) 2.041 0.521 0.521 weight 1.000 spectrum  1 peak   629 ! spec=13CA, no=629, id=2011, vol=4.930000e+06
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    2 and name   HA) 2.041 0.521 0.521 weight 1.000 spectrum  1 peak   629 ! spec=13CA, no=629, id=2011, vol=4.930000e+06
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    2 and name   HA) 2.041 0.521 0.521 weight 1.000 spectrum  1 peak   629 ! spec=13CA, no=629, id=2011, vol=4.930000e+06
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    2 and name   HA) 2.041 0.521 0.521 weight 1.000 spectrum  1 peak   629 ! spec=13CA, no=629, id=2011, vol=4.930000e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   14 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak   630 ! spec=13CA, no=630, id=2012, vol=1.500000e+06
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   14 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak   630 ! spec=13CA, no=630, id=2012, vol=1.500000e+06
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   14 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak   630 ! spec=13CA, no=630, id=2012, vol=1.500000e+06
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   14 and name   HA) 2.489 0.774 0.774 weight 1.000 spectrum  1 peak   630 ! spec=13CA, no=630, id=2012, vol=1.500000e+06
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name   HA) 2.318 0.672 0.672 weight 1.000 spectrum  1 peak   634 ! spec=13CA, no=634, id=2016, vol=2.300000e+06
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name   HA) 2.318 0.672 0.672 weight 1.000 spectrum  1 peak   634 ! spec=13CA, no=634, id=2016, vol=2.300000e+06
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name   HA) 2.318 0.672 0.672 weight 1.000 spectrum  1 peak   634 ! spec=13CA, no=634, id=2016, vol=2.300000e+06
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name   HA) 2.318 0.672 0.672 weight 1.000 spectrum  1 peak   634 ! spec=13CA, no=634, id=2016, vol=2.300000e+06
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    2 and name  HB#) 1.913 0.458 0.458 weight 1.000 spectrum  1 peak   643 ! spec=13CA, no=643, id=2018, vol=7.270000e+06
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    2 and name  HB#) 1.913 0.458 0.458 weight 1.000 spectrum  1 peak   643 ! spec=13CA, no=643, id=2018, vol=7.270000e+06
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    2 and name  HB#) 1.913 0.458 0.458 weight 1.000 spectrum  1 peak   643 ! spec=13CA, no=643, id=2018, vol=7.270000e+06
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    2 and name  HB#) 1.913 0.458 0.458 weight 1.000 spectrum  1 peak   643 ! spec=13CA, no=643, id=2018, vol=7.270000e+06
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    2 and name  HB#) 1.653 0.341 0.341 weight 1.000 spectrum  1 peak   648 ! spec=13CA, no=648, id=2021, vol=1.750000e+07
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    2 and name  HB#) 1.653 0.341 0.341 weight 1.000 spectrum  1 peak   648 ! spec=13CA, no=648, id=2021, vol=1.750000e+07
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    2 and name  HB#) 1.653 0.341 0.341 weight 1.000 spectrum  1 peak   648 ! spec=13CA, no=648, id=2021, vol=1.750000e+07
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    2 and name  HB#) 1.653 0.341 0.341 weight 1.000 spectrum  1 peak   648 ! spec=13CA, no=648, id=2021, vol=1.750000e+07
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name  HB#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   676 ! spec=13CA, no=676, id=2032, vol=2.000000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name  HB#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   676 ! spec=13CA, no=676, id=2032, vol=2.000000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name  HB#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   676 ! spec=13CA, no=676, id=2032, vol=2.000000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name  HB#) 2.372 0.704 0.704 weight 1.000 spectrum  1 peak   676 ! spec=13CA, no=676, id=2032, vol=2.000000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name  HB#) 2.290 0.656 0.656 weight 1.000 spectrum  1 peak   677 ! spec=13CA, no=677, id=2033, vol=2.470000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name  HB#) 2.290 0.656 0.656 weight 1.000 spectrum  1 peak   677 ! spec=13CA, no=677, id=2033, vol=2.470000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name  HB#) 2.290 0.656 0.656 weight 1.000 spectrum  1 peak   677 ! spec=13CA, no=677, id=2033, vol=2.470000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name  HB#) 2.290 0.656 0.656 weight 1.000 spectrum  1 peak   677 ! spec=13CA, no=677, id=2033, vol=2.470000e+06
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   35 and name  HB#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak   681 ! spec=13CA, no=681, id=2036, vol=1.880000e+05
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   35 and name  HB#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak   681 ! spec=13CA, no=681, id=2036, vol=1.880000e+05
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   35 and name  HB#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak   681 ! spec=13CA, no=681, id=2036, vol=1.880000e+05
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   35 and name  HB#) 3.518 1.547 1.547 weight 1.000 spectrum  1 peak   681 ! spec=13CA, no=681, id=2036, vol=1.880000e+05
assign (segid "   A" and resid   38 and name  HB#) (segid "   A" and resid   35 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   682 ! spec=13CA, no=682, id=2037, vol=2.070000e+05
assign (segid "   B" and resid   38 and name  HB#) (segid "   B" and resid   35 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   682 ! spec=13CA, no=682, id=2037, vol=2.070000e+05
assign (segid "   C" and resid   38 and name  HB#) (segid "   C" and resid   35 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   682 ! spec=13CA, no=682, id=2037, vol=2.070000e+05
assign (segid "   D" and resid   38 and name  HB#) (segid "   D" and resid   35 and name  HB#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak   682 ! spec=13CA, no=682, id=2037, vol=2.070000e+05
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name   HA) 2.157 0.582 0.582 weight 1.000 spectrum  1 peak   688 ! spec=13CA, no=688, id=2042, vol=3.540000e+06
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name   HA) 2.157 0.582 0.582 weight 1.000 spectrum  1 peak   688 ! spec=13CA, no=688, id=2042, vol=3.540000e+06
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name   HA) 2.157 0.582 0.582 weight 1.000 spectrum  1 peak   688 ! spec=13CA, no=688, id=2042, vol=3.540000e+06
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name   HA) 2.157 0.582 0.582 weight 1.000 spectrum  1 peak   688 ! spec=13CA, no=688, id=2042, vol=3.540000e+06
assign (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   30 and name   HA) 2.497 0.780 0.780 weight 1.000 spectrum  1 peak   691 ! spec=13CA, no=691, id=2044, vol=1.470000e+06
assign (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   30 and name   HA) 2.497 0.780 0.780 weight 1.000 spectrum  1 peak   691 ! spec=13CA, no=691, id=2044, vol=1.470000e+06
assign (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   30 and name   HA) 2.497 0.780 0.780 weight 1.000 spectrum  1 peak   691 ! spec=13CA, no=691, id=2044, vol=1.470000e+06
assign (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   30 and name   HA) 2.497 0.780 0.780 weight 1.000 spectrum  1 peak   691 ! spec=13CA, no=691, id=2044, vol=1.470000e+06
assign (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HE#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak   694 ! spec=13CA, no=694, id=2046, vol=1.410000e+05
assign (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HE#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak   694 ! spec=13CA, no=694, id=2046, vol=1.410000e+05
assign (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HE#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak   694 ! spec=13CA, no=694, id=2046, vol=1.410000e+05
assign (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HE#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak   694 ! spec=13CA, no=694, id=2046, vol=1.410000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   28 and name  HE#) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak   695 ! spec=13CA, no=695, id=2047, vol=3.960000e+05
assign (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   28 and name  HE#) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak   695 ! spec=13CA, no=695, id=2047, vol=3.960000e+05
assign (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   28 and name  HE#) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak   695 ! spec=13CA, no=695, id=2047, vol=3.960000e+05
assign (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   28 and name  HE#) 3.108 1.207 1.207 weight 1.000 spectrum  1 peak   695 ! spec=13CA, no=695, id=2047, vol=3.960000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   701 ! spec=13CA, no=701, id=2049, vol=1.020000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   701 ! spec=13CA, no=701, id=2049, vol=1.020000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   701 ! spec=13CA, no=701, id=2049, vol=1.020000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HE#) 2.654 0.881 0.881 weight 1.000 spectrum  1 peak   701 ! spec=13CA, no=701, id=2049, vol=1.020000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HE#) 2.625 0.861 0.861 weight 1.000 spectrum  1 peak   702 ! spec=13CA, no=702, id=2050, vol=1.090000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HE#) 2.625 0.861 0.861 weight 1.000 spectrum  1 peak   702 ! spec=13CA, no=702, id=2050, vol=1.090000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HE#) 2.625 0.861 0.861 weight 1.000 spectrum  1 peak   702 ! spec=13CA, no=702, id=2050, vol=1.090000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HE#) 2.625 0.861 0.861 weight 1.000 spectrum  1 peak   702 ! spec=13CA, no=702, id=2050, vol=1.090000e+06
assign (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   28 and name  HE#) 3.050 1.163 1.163 weight 1.000 spectrum  1 peak   705 ! spec=13CA, no=705, id=2052, vol=4.430000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   28 and name  HE#) 3.050 1.163 1.163 weight 1.000 spectrum  1 peak   705 ! spec=13CA, no=705, id=2052, vol=4.430000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   28 and name  HE#) 3.050 1.163 1.163 weight 1.000 spectrum  1 peak   705 ! spec=13CA, no=705, id=2052, vol=4.430000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   28 and name  HE#) 3.050 1.163 1.163 weight 1.000 spectrum  1 peak   705 ! spec=13CA, no=705, id=2052, vol=4.430000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   13 and name  HB#) 1.865 1.865 4.135 weight 1.000 spectrum  1 peak   706 ! spec=13CA, no=706, id=2053, vol=8.470000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   13 and name  HB#) 1.865 1.865 4.135 weight 1.000 spectrum  1 peak   706 ! spec=13CA, no=706, id=2053, vol=8.470000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   13 and name  HB#) 1.865 1.865 4.135 weight 1.000 spectrum  1 peak   706 ! spec=13CA, no=706, id=2053, vol=8.470000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   13 and name  HB#) 1.865 1.865 4.135 weight 1.000 spectrum  1 peak   706 ! spec=13CA, no=706, id=2053, vol=8.470000e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid    8 and name  HG#) 2.760 0.952 0.952 weight 1.000 spectrum  1 peak   722 ! spec=13CA, no=722, id=2058, vol=8.070000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid    8 and name  HG#) 2.760 0.952 0.952 weight 1.000 spectrum  1 peak   722 ! spec=13CA, no=722, id=2058, vol=8.070000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid    8 and name  HG#) 2.760 0.952 0.952 weight 1.000 spectrum  1 peak   722 ! spec=13CA, no=722, id=2058, vol=8.070000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid    8 and name  HG#) 2.760 0.952 0.952 weight 1.000 spectrum  1 peak   722 ! spec=13CA, no=722, id=2058, vol=8.070000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid    8 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   723 ! spec=13CA, no=723, id=2059, vol=2.930000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid    8 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   723 ! spec=13CA, no=723, id=2059, vol=2.930000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid    8 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   723 ! spec=13CA, no=723, id=2059, vol=2.930000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid    8 and name  HG#) 3.268 1.335 1.335 weight 1.000 spectrum  1 peak   723 ! spec=13CA, no=723, id=2059, vol=2.930000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   37 and name   HA) 2.573 2.573 3.427 weight 1.000 spectrum  1 peak   726 ! spec=13CA, no=726, id=2062, vol=1.230000e+06
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   37 and name   HA) 2.573 2.573 3.427 weight 1.000 spectrum  1 peak   726 ! spec=13CA, no=726, id=2062, vol=1.230000e+06
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   37 and name   HA) 2.573 2.573 3.427 weight 1.000 spectrum  1 peak   726 ! spec=13CA, no=726, id=2062, vol=1.230000e+06
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   37 and name   HA) 2.573 2.573 3.427 weight 1.000 spectrum  1 peak   726 ! spec=13CA, no=726, id=2062, vol=1.230000e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name  HG#) 2.943 1.083 1.083 weight 1.000 spectrum  1 peak   727 ! spec=13CA, no=727, id=2063, vol=5.490000e+05
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name  HG#) 2.943 1.083 1.083 weight 1.000 spectrum  1 peak   727 ! spec=13CA, no=727, id=2063, vol=5.490000e+05
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name  HG#) 2.943 1.083 1.083 weight 1.000 spectrum  1 peak   727 ! spec=13CA, no=727, id=2063, vol=5.490000e+05
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name  HG#) 2.943 1.083 1.083 weight 1.000 spectrum  1 peak   727 ! spec=13CA, no=727, id=2063, vol=5.490000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   19 and name  HE#) 2.944 1.083 1.083 weight 1.000 spectrum  1 peak   728 ! spec=13CA, no=728, id=2064, vol=5.480000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   19 and name  HE#) 2.944 1.083 1.083 weight 1.000 spectrum  1 peak   728 ! spec=13CA, no=728, id=2064, vol=5.480000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   19 and name  HE#) 2.944 1.083 1.083 weight 1.000 spectrum  1 peak   728 ! spec=13CA, no=728, id=2064, vol=5.480000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   19 and name  HE#) 2.944 1.083 1.083 weight 1.000 spectrum  1 peak   728 ! spec=13CA, no=728, id=2064, vol=5.480000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name   HA) 2.355 0.693 0.693 weight 1.000 spectrum  1 peak   730 ! spec=13CA, no=730, id=2066, vol=2.090000e+06
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name   HA) 2.355 0.693 0.693 weight 1.000 spectrum  1 peak   730 ! spec=13CA, no=730, id=2066, vol=2.090000e+06
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name   HA) 2.355 0.693 0.693 weight 1.000 spectrum  1 peak   730 ! spec=13CA, no=730, id=2066, vol=2.090000e+06
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name   HA) 2.355 0.693 0.693 weight 1.000 spectrum  1 peak   730 ! spec=13CA, no=730, id=2066, vol=2.090000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name  HB#) 2.311 0.668 0.668 weight 1.000 spectrum  1 peak   736 ! spec=13CA, no=736, id=2070, vol=2.340000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name  HB#) 2.311 0.668 0.668 weight 1.000 spectrum  1 peak   736 ! spec=13CA, no=736, id=2070, vol=2.340000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name  HB#) 2.311 0.668 0.668 weight 1.000 spectrum  1 peak   736 ! spec=13CA, no=736, id=2070, vol=2.340000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name  HB#) 2.311 0.668 0.668 weight 1.000 spectrum  1 peak   736 ! spec=13CA, no=736, id=2070, vol=2.340000e+06
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name  HB#) 1.550 0.300 0.300 weight 1.000 spectrum  1 peak   746 ! spec=13CA, no=746, id=2077, vol=2.570000e+07
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name  HB#) 1.550 0.300 0.300 weight 1.000 spectrum  1 peak   746 ! spec=13CA, no=746, id=2077, vol=2.570000e+07
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name  HB#) 1.550 0.300 0.300 weight 1.000 spectrum  1 peak   746 ! spec=13CA, no=746, id=2077, vol=2.570000e+07
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name  HB#) 1.550 0.300 0.300 weight 1.000 spectrum  1 peak   746 ! spec=13CA, no=746, id=2077, vol=2.570000e+07
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HD#) 2.257 0.637 0.637 weight 1.000 spectrum  1 peak   754 ! spec=13CA, no=754, id=2080, vol=2.700000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HD#) 2.257 0.637 0.637 weight 1.000 spectrum  1 peak   754 ! spec=13CA, no=754, id=2080, vol=2.700000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HD#) 2.257 0.637 0.637 weight 1.000 spectrum  1 peak   754 ! spec=13CA, no=754, id=2080, vol=2.700000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HD#) 2.257 0.637 0.637 weight 1.000 spectrum  1 peak   754 ! spec=13CA, no=754, id=2080, vol=2.700000e+06
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name   HA) 2.549 0.812 0.924 weight 1.000 spectrum  1 peak   755 ! spec=13CA, no=755, id=2081, vol=1.300000e+06
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name   HA) 2.549 0.812 0.924 weight 1.000 spectrum  1 peak   755 ! spec=13CA, no=755, id=2081, vol=1.300000e+06
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name   HA) 2.549 0.812 0.924 weight 1.000 spectrum  1 peak   755 ! spec=13CA, no=755, id=2081, vol=1.300000e+06
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name   HA) 2.549 0.812 0.924 weight 1.000 spectrum  1 peak   755 ! spec=13CA, no=755, id=2081, vol=1.300000e+06
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   40 and name   HA) 2.353 0.692 0.692 weight 1.000 spectrum  1 peak   756 ! spec=13CA, no=756, id=2082, vol=2.100000e+06
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   40 and name   HA) 2.353 0.692 0.692 weight 1.000 spectrum  1 peak   756 ! spec=13CA, no=756, id=2082, vol=2.100000e+06
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   40 and name   HA) 2.353 0.692 0.692 weight 1.000 spectrum  1 peak   756 ! spec=13CA, no=756, id=2082, vol=2.100000e+06
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   40 and name   HA) 2.353 0.692 0.692 weight 1.000 spectrum  1 peak   756 ! spec=13CA, no=756, id=2082, vol=2.100000e+06
assign (segid "   A" and resid   26 and name   HA) (segid "   A" and resid   26 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  1 peak   758 ! spec=13CA, no=758, id=2084, vol=1.940000e+06
assign (segid "   B" and resid   26 and name   HA) (segid "   B" and resid   26 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  1 peak   758 ! spec=13CA, no=758, id=2084, vol=1.940000e+06
assign (segid "   C" and resid   26 and name   HA) (segid "   C" and resid   26 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  1 peak   758 ! spec=13CA, no=758, id=2084, vol=1.940000e+06
assign (segid "   D" and resid   26 and name   HA) (segid "   D" and resid   26 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  1 peak   758 ! spec=13CA, no=758, id=2084, vol=1.940000e+06
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#) 2.224 0.618 0.618 weight 1.000 spectrum  1 peak   770 ! spec=13CA, no=770, id=2094, vol=2.950000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#) 2.224 0.618 0.618 weight 1.000 spectrum  1 peak   770 ! spec=13CA, no=770, id=2094, vol=2.950000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#) 2.224 0.618 0.618 weight 1.000 spectrum  1 peak   770 ! spec=13CA, no=770, id=2094, vol=2.950000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#) 2.224 0.618 0.618 weight 1.000 spectrum  1 peak   770 ! spec=13CA, no=770, id=2094, vol=2.950000e+06
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#) 2.199 0.605 0.605 weight 1.000 spectrum  1 peak   771 ! spec=13CA, no=771, id=2095, vol=3.150000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#) 2.199 0.605 0.605 weight 1.000 spectrum  1 peak   771 ! spec=13CA, no=771, id=2095, vol=3.150000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#) 2.199 0.605 0.605 weight 1.000 spectrum  1 peak   771 ! spec=13CA, no=771, id=2095, vol=3.150000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#) 2.199 0.605 0.605 weight 1.000 spectrum  1 peak   771 ! spec=13CA, no=771, id=2095, vol=3.150000e+06
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  1 peak   793 ! spec=13CA, no=793, id=2101, vol=8.940000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  1 peak   793 ! spec=13CA, no=793, id=2101, vol=8.940000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  1 peak   793 ! spec=13CA, no=793, id=2101, vol=8.940000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  1 peak   793 ! spec=13CA, no=793, id=2101, vol=8.940000e+05
assign (segid "   A" and resid   11 and name  HA#) (segid "   B" and resid    2 and name  HB#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak   800 ! spec=13CA, no=800, id=2106, vol=1.460000e+05
assign (segid "   B" and resid   11 and name  HA#) (segid "   A" and resid    2 and name  HB#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak   800 ! spec=13CA, no=800, id=2106, vol=1.460000e+05
assign (segid "   C" and resid   11 and name  HA#) (segid "   D" and resid    2 and name  HB#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak   800 ! spec=13CA, no=800, id=2106, vol=1.460000e+05
assign (segid "   D" and resid   11 and name  HA#) (segid "   C" and resid    2 and name  HB#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak   800 ! spec=13CA, no=800, id=2106, vol=1.460000e+05
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak   802 ! spec=13CA, no=802, id=2107, vol=1.530000e+06
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak   802 ! spec=13CA, no=802, id=2107, vol=1.530000e+06
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak   802 ! spec=13CA, no=802, id=2107, vol=1.530000e+06
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.481 0.769 0.769 weight 1.000 spectrum  1 peak   802 ! spec=13CA, no=802, id=2107, vol=1.530000e+06
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   23 and name   HA) 2.412 0.727 0.727 weight 1.000 spectrum  1 peak   806 ! spec=13CA, no=806, id=2111, vol=1.810000e+06
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   23 and name   HA) 2.412 0.727 0.727 weight 1.000 spectrum  1 peak   806 ! spec=13CA, no=806, id=2111, vol=1.810000e+06
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   23 and name   HA) 2.412 0.727 0.727 weight 1.000 spectrum  1 peak   806 ! spec=13CA, no=806, id=2111, vol=1.810000e+06
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   23 and name   HA) 2.412 0.727 0.727 weight 1.000 spectrum  1 peak   806 ! spec=13CA, no=806, id=2111, vol=1.810000e+06
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   42 and name  HB#) 2.397 0.718 0.718 weight 1.000 spectrum  1 peak   812 ! spec=13CA, no=812, id=2116, vol=1.880000e+06
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   42 and name  HB#) 2.397 0.718 0.718 weight 1.000 spectrum  1 peak   812 ! spec=13CA, no=812, id=2116, vol=1.880000e+06
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   42 and name  HB#) 2.397 0.718 0.718 weight 1.000 spectrum  1 peak   812 ! spec=13CA, no=812, id=2116, vol=1.880000e+06
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   42 and name  HB#) 2.397 0.718 0.718 weight 1.000 spectrum  1 peak   812 ! spec=13CA, no=812, id=2116, vol=1.880000e+06
assign (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   44 and name   HA) 1.871 1.871 4.129 weight 1.000 spectrum  1 peak   815 ! spec=13CA, no=815, id=2119, vol=8.300000e+06
assign (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   44 and name   HA) 1.871 1.871 4.129 weight 1.000 spectrum  1 peak   815 ! spec=13CA, no=815, id=2119, vol=8.300000e+06
assign (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   44 and name   HA) 1.871 1.871 4.129 weight 1.000 spectrum  1 peak   815 ! spec=13CA, no=815, id=2119, vol=8.300000e+06
assign (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   44 and name   HA) 1.871 1.871 4.129 weight 1.000 spectrum  1 peak   815 ! spec=13CA, no=815, id=2119, vol=8.300000e+06
assign (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   40 and name  HG#) 2.495 0.778 0.778 weight 1.000 spectrum  1 peak   816 ! spec=13CA, no=816, id=2120, vol=1.480000e+06
assign (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   40 and name  HG#) 2.495 0.778 0.778 weight 1.000 spectrum  1 peak   816 ! spec=13CA, no=816, id=2120, vol=1.480000e+06
assign (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   40 and name  HG#) 2.495 0.778 0.778 weight 1.000 spectrum  1 peak   816 ! spec=13CA, no=816, id=2120, vol=1.480000e+06
assign (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   40 and name  HG#) 2.495 0.778 0.778 weight 1.000 spectrum  1 peak   816 ! spec=13CA, no=816, id=2120, vol=1.480000e+06
assign (segid "   A" and resid   42 and name  HB#) (segid "   A" and resid   42 and name  HG#) 1.991 0.496 0.496 weight 1.000 spectrum  1 peak   822 ! spec=13CA, no=822, id=2123, vol=5.720000e+06
assign (segid "   B" and resid   42 and name  HB#) (segid "   B" and resid   42 and name  HG#) 1.991 0.496 0.496 weight 1.000 spectrum  1 peak   822 ! spec=13CA, no=822, id=2123, vol=5.720000e+06
assign (segid "   C" and resid   42 and name  HB#) (segid "   C" and resid   42 and name  HG#) 1.991 0.496 0.496 weight 1.000 spectrum  1 peak   822 ! spec=13CA, no=822, id=2123, vol=5.720000e+06
assign (segid "   D" and resid   42 and name  HB#) (segid "   D" and resid   42 and name  HG#) 1.991 0.496 0.496 weight 1.000 spectrum  1 peak   822 ! spec=13CA, no=822, id=2123, vol=5.720000e+06
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   16 and name  HG#) 2.734 2.734 3.266 weight 1.000 spectrum  1 peak   841 ! spec=13CA, no=841, id=2133, vol=8.540000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   16 and name  HG#) 2.734 2.734 3.266 weight 1.000 spectrum  1 peak   841 ! spec=13CA, no=841, id=2133, vol=8.540000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   16 and name  HG#) 2.734 2.734 3.266 weight 1.000 spectrum  1 peak   841 ! spec=13CA, no=841, id=2133, vol=8.540000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   16 and name  HG#) 2.734 2.734 3.266 weight 1.000 spectrum  1 peak   841 ! spec=13CA, no=841, id=2133, vol=8.540000e+05
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name   HA) 1.992 1.992 4.008 weight 1.000 spectrum  1 peak   843 ! spec=13CA, no=843, id=2135, vol=5.700000e+06
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name   HA) 1.992 1.992 4.008 weight 1.000 spectrum  1 peak   843 ! spec=13CA, no=843, id=2135, vol=5.700000e+06
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name   HA) 1.992 1.992 4.008 weight 1.000 spectrum  1 peak   843 ! spec=13CA, no=843, id=2135, vol=5.700000e+06
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name   HA) 1.992 1.992 4.008 weight 1.000 spectrum  1 peak   843 ! spec=13CA, no=843, id=2135, vol=5.700000e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   D" and resid   47 and name  HB#) 3.979 1.979 1.979 weight 1.000 spectrum  1 peak   844 ! spec=13CA, no=844, id=2136, vol=8.980000e+04
assign (segid "   B" and resid    7 and name   HA) (segid "   C" and resid   47 and name  HB#) 3.979 1.979 1.979 weight 1.000 spectrum  1 peak   844 ! spec=13CA, no=844, id=2136, vol=8.980000e+04
assign (segid "   C" and resid    7 and name   HA) (segid "   B" and resid   47 and name  HB#) 3.979 1.979 1.979 weight 1.000 spectrum  1 peak   844 ! spec=13CA, no=844, id=2136, vol=8.980000e+04
assign (segid "   D" and resid    7 and name   HA) (segid "   A" and resid   47 and name  HB#) 3.979 1.979 1.979 weight 1.000 spectrum  1 peak   844 ! spec=13CA, no=844, id=2136, vol=8.980000e+04
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   36 and name   HA) 2.684 0.901 0.901 weight 1.000 spectrum  1 peak   846 ! spec=13CA, no=846, id=2138, vol=9.530000e+05
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   36 and name   HA) 2.684 0.901 0.901 weight 1.000 spectrum  1 peak   846 ! spec=13CA, no=846, id=2138, vol=9.530000e+05
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   36 and name   HA) 2.684 0.901 0.901 weight 1.000 spectrum  1 peak   846 ! spec=13CA, no=846, id=2138, vol=9.530000e+05
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   36 and name   HA) 2.684 0.901 0.901 weight 1.000 spectrum  1 peak   846 ! spec=13CA, no=846, id=2138, vol=9.530000e+05
assign (segid "   A" and resid   41 and name  HB#) (segid "   A" and resid   41 and name   HA) 1.910 0.456 0.456 weight 1.000 spectrum  1 peak   855 ! spec=13CA, no=855, id=2145, vol=7.340000e+06
assign (segid "   B" and resid   41 and name  HB#) (segid "   B" and resid   41 and name   HA) 1.910 0.456 0.456 weight 1.000 spectrum  1 peak   855 ! spec=13CA, no=855, id=2145, vol=7.340000e+06
assign (segid "   C" and resid   41 and name  HB#) (segid "   C" and resid   41 and name   HA) 1.910 0.456 0.456 weight 1.000 spectrum  1 peak   855 ! spec=13CA, no=855, id=2145, vol=7.340000e+06
assign (segid "   D" and resid   41 and name  HB#) (segid "   D" and resid   41 and name   HA) 1.910 0.456 0.456 weight 1.000 spectrum  1 peak   855 ! spec=13CA, no=855, id=2145, vol=7.340000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name  HG#) 1.854 0.430 0.430 weight 1.000 spectrum  1 peak   860 ! spec=13CA, no=860, id=2149, vol=8.790000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name  HG#) 1.854 0.430 0.430 weight 1.000 spectrum  1 peak   860 ! spec=13CA, no=860, id=2149, vol=8.790000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name  HG#) 1.854 0.430 0.430 weight 1.000 spectrum  1 peak   860 ! spec=13CA, no=860, id=2149, vol=8.790000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name  HG#) 1.854 0.430 0.430 weight 1.000 spectrum  1 peak   860 ! spec=13CA, no=860, id=2149, vol=8.790000e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HB#) 2.281 0.651 0.651 weight 1.000 spectrum  1 peak   872 ! spec=13CA, no=872, id=2156, vol=2.530000e+06
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   23 and name  HB#) 2.281 0.651 0.651 weight 1.000 spectrum  1 peak   872 ! spec=13CA, no=872, id=2156, vol=2.530000e+06
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   23 and name  HB#) 2.281 0.651 0.651 weight 1.000 spectrum  1 peak   872 ! spec=13CA, no=872, id=2156, vol=2.530000e+06
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   23 and name  HB#) 2.281 0.651 0.651 weight 1.000 spectrum  1 peak   872 ! spec=13CA, no=872, id=2156, vol=2.530000e+06
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    2 and name   HA) 1.968 1.968 4.032 weight 1.000 spectrum  1 peak   873 ! spec=13CA, no=873, id=2157, vol=6.130000e+06
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    2 and name   HA) 1.968 1.968 4.032 weight 1.000 spectrum  1 peak   873 ! spec=13CA, no=873, id=2157, vol=6.130000e+06
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    2 and name   HA) 1.968 1.968 4.032 weight 1.000 spectrum  1 peak   873 ! spec=13CA, no=873, id=2157, vol=6.130000e+06
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    2 and name   HA) 1.968 1.968 4.032 weight 1.000 spectrum  1 peak   873 ! spec=13CA, no=873, id=2157, vol=6.130000e+06
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name   HA) 2.357 0.694 0.694 weight 1.000 spectrum  1 peak   874 ! spec=13CA, no=874, id=2158, vol=2.080000e+06
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name   HA) 2.357 0.694 0.694 weight 1.000 spectrum  1 peak   874 ! spec=13CA, no=874, id=2158, vol=2.080000e+06
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name   HA) 2.357 0.694 0.694 weight 1.000 spectrum  1 peak   874 ! spec=13CA, no=874, id=2158, vol=2.080000e+06
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name   HA) 2.357 0.694 0.694 weight 1.000 spectrum  1 peak   874 ! spec=13CA, no=874, id=2158, vol=2.080000e+06
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    3 and name   HA) 2.929 1.072 1.072 weight 1.000 spectrum  1 peak   875 ! spec=13CA, no=875, id=2159, vol=5.650000e+05
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    3 and name   HA) 2.929 1.072 1.072 weight 1.000 spectrum  1 peak   875 ! spec=13CA, no=875, id=2159, vol=5.650000e+05
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    3 and name   HA) 2.929 1.072 1.072 weight 1.000 spectrum  1 peak   875 ! spec=13CA, no=875, id=2159, vol=5.650000e+05
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    3 and name   HA) 2.929 1.072 1.072 weight 1.000 spectrum  1 peak   875 ! spec=13CA, no=875, id=2159, vol=5.650000e+05
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   13 and name  HG#) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak   881 ! spec=13CA, no=881, id=2163, vol=6.470000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   13 and name  HG#) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak   881 ! spec=13CA, no=881, id=2163, vol=6.470000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   13 and name  HG#) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak   881 ! spec=13CA, no=881, id=2163, vol=6.470000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   13 and name  HG#) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak   881 ! spec=13CA, no=881, id=2163, vol=6.470000e+05
assign (segid "   A" and resid   25 and name  HB#) (segid "   B" and resid   14 and name  HB#) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak   883 ! spec=13CA, no=883, id=2165, vol=3.250000e+05
assign (segid "   B" and resid   25 and name  HB#) (segid "   A" and resid   14 and name  HB#) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak   883 ! spec=13CA, no=883, id=2165, vol=3.250000e+05
assign (segid "   C" and resid   25 and name  HB#) (segid "   D" and resid   14 and name  HB#) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak   883 ! spec=13CA, no=883, id=2165, vol=3.250000e+05
assign (segid "   D" and resid   25 and name  HB#) (segid "   C" and resid   14 and name  HB#) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak   883 ! spec=13CA, no=883, id=2165, vol=3.250000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   D" and resid   13 and name  HG#) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   903 ! spec=13CA, no=903, id=2174, vol=6.790000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   C" and resid   13 and name  HG#) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   903 ! spec=13CA, no=903, id=2174, vol=6.790000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   B" and resid   13 and name  HG#) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   903 ! spec=13CA, no=903, id=2174, vol=6.790000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   A" and resid   13 and name  HG#) 2.840 1.009 1.009 weight 1.000 spectrum  1 peak   903 ! spec=13CA, no=903, id=2174, vol=6.790000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   D" and resid   13 and name  HG#) 3.412 1.455 1.455 weight 1.000 spectrum  1 peak   905 ! spec=13CA, no=905, id=2176, vol=2.260000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   C" and resid   13 and name  HG#) 3.412 1.455 1.455 weight 1.000 spectrum  1 peak   905 ! spec=13CA, no=905, id=2176, vol=2.260000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   B" and resid   13 and name  HG#) 3.412 1.455 1.455 weight 1.000 spectrum  1 peak   905 ! spec=13CA, no=905, id=2176, vol=2.260000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   A" and resid   13 and name  HG#) 3.412 1.455 1.455 weight 1.000 spectrum  1 peak   905 ! spec=13CA, no=905, id=2176, vol=2.260000e+05
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   34 and name  HD#) 3.056 1.167 1.167 weight 1.000 spectrum  1 peak   912 ! spec=13CA, no=912, id=2183, vol=4.380000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   34 and name  HD#) 3.056 1.167 1.167 weight 1.000 spectrum  1 peak   912 ! spec=13CA, no=912, id=2183, vol=4.380000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   34 and name  HD#) 3.056 1.167 1.167 weight 1.000 spectrum  1 peak   912 ! spec=13CA, no=912, id=2183, vol=4.380000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   34 and name  HD#) 3.056 1.167 1.167 weight 1.000 spectrum  1 peak   912 ! spec=13CA, no=912, id=2183, vol=4.380000e+05
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  1 peak   918 ! spec=13CA, no=918, id=2185, vol=3.490000e+06
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  1 peak   918 ! spec=13CA, no=918, id=2185, vol=3.490000e+06
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  1 peak   918 ! spec=13CA, no=918, id=2185, vol=3.490000e+06
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  1 peak   918 ! spec=13CA, no=918, id=2185, vol=3.490000e+06
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   927 ! spec=13CA, no=927, id=2190, vol=2.420000e+06
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   927 ! spec=13CA, no=927, id=2190, vol=2.420000e+06
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   927 ! spec=13CA, no=927, id=2190, vol=2.420000e+06
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name   HA) 2.298 2.298 3.702 weight 1.000 spectrum  1 peak   927 ! spec=13CA, no=927, id=2190, vol=2.420000e+06
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name  HB#) 2.140 0.573 0.573 weight 1.000 spectrum  1 peak   943 ! spec=13CA, no=943, id=2197, vol=3.710000e+06
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name  HB#) 2.140 0.573 0.573 weight 1.000 spectrum  1 peak   943 ! spec=13CA, no=943, id=2197, vol=3.710000e+06
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name  HB#) 2.140 0.573 0.573 weight 1.000 spectrum  1 peak   943 ! spec=13CA, no=943, id=2197, vol=3.710000e+06
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name  HB#) 2.140 0.573 0.573 weight 1.000 spectrum  1 peak   943 ! spec=13CA, no=943, id=2197, vol=3.710000e+06
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name   HA) 2.094 0.548 1.216 weight 1.000 spectrum  1 peak   953 ! spec=13CA, no=953, id=2205, vol=4.230000e+06
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name   HA) 2.094 0.548 1.216 weight 1.000 spectrum  1 peak   953 ! spec=13CA, no=953, id=2205, vol=4.230000e+06
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name   HA) 2.094 0.548 1.216 weight 1.000 spectrum  1 peak   953 ! spec=13CA, no=953, id=2205, vol=4.230000e+06
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name   HA) 2.094 0.548 1.216 weight 1.000 spectrum  1 peak   953 ! spec=13CA, no=953, id=2205, vol=4.230000e+06
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   46 and name   HA) 3.262 1.330 2.883 weight 1.000 spectrum  1 peak   954 ! spec=13CA, no=954, id=2206, vol=2.960000e+05
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   46 and name   HA) 3.262 1.330 2.883 weight 1.000 spectrum  1 peak   954 ! spec=13CA, no=954, id=2206, vol=2.960000e+05
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   46 and name   HA) 3.262 1.330 2.883 weight 1.000 spectrum  1 peak   954 ! spec=13CA, no=954, id=2206, vol=2.960000e+05
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   46 and name   HA) 3.262 1.330 2.883 weight 1.000 spectrum  1 peak   954 ! spec=13CA, no=954, id=2206, vol=2.960000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   D" and resid   47 and name  HG#) 3.947 1.947 1.947 weight 1.000 spectrum  1 peak   955 ! spec=13CA, no=955, id=2207, vol=9.430000e+04
assign (segid "   B" and resid    7 and name   HA) (segid "   C" and resid   47 and name  HG#) 3.947 1.947 1.947 weight 1.000 spectrum  1 peak   955 ! spec=13CA, no=955, id=2207, vol=9.430000e+04
assign (segid "   C" and resid    7 and name   HA) (segid "   B" and resid   47 and name  HG#) 3.947 1.947 1.947 weight 1.000 spectrum  1 peak   955 ! spec=13CA, no=955, id=2207, vol=9.430000e+04
assign (segid "   D" and resid    7 and name   HA) (segid "   A" and resid   47 and name  HG#) 3.947 1.947 1.947 weight 1.000 spectrum  1 peak   955 ! spec=13CA, no=955, id=2207, vol=9.430000e+04
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   23 and name  HG#) 2.666 0.888 0.888 weight 1.000 spectrum  1 peak   957 ! spec=13CA, no=957, id=2209, vol=9.930000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   23 and name  HG#) 2.666 0.888 0.888 weight 1.000 spectrum  1 peak   957 ! spec=13CA, no=957, id=2209, vol=9.930000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   23 and name  HG#) 2.666 0.888 0.888 weight 1.000 spectrum  1 peak   957 ! spec=13CA, no=957, id=2209, vol=9.930000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   23 and name  HG#) 2.666 0.888 0.888 weight 1.000 spectrum  1 peak   957 ! spec=13CA, no=957, id=2209, vol=9.930000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   C" and resid   47 and name  HG#) 3.727 3.727 2.273 weight 1.000 spectrum  1 peak   971 ! spec=13CA, no=971, id=2216, vol=1.330000e+05
assign (segid "   B" and resid   19 and name  HB#) (segid "   D" and resid   47 and name  HG#) 3.727 3.727 2.273 weight 1.000 spectrum  1 peak   971 ! spec=13CA, no=971, id=2216, vol=1.330000e+05
assign (segid "   C" and resid   19 and name  HB#) (segid "   A" and resid   47 and name  HG#) 3.727 3.727 2.273 weight 1.000 spectrum  1 peak   971 ! spec=13CA, no=971, id=2216, vol=1.330000e+05
assign (segid "   D" and resid   19 and name  HB#) (segid "   B" and resid   47 and name  HG#) 3.727 3.727 2.273 weight 1.000 spectrum  1 peak   971 ! spec=13CA, no=971, id=2216, vol=1.330000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HB#) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   983 ! spec=13CA, no=983, id=2226, vol=1.660000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HB#) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   983 ! spec=13CA, no=983, id=2226, vol=1.660000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HB#) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   983 ! spec=13CA, no=983, id=2226, vol=1.660000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HB#) 2.447 0.749 0.749 weight 1.000 spectrum  1 peak   983 ! spec=13CA, no=983, id=2226, vol=1.660000e+06
assign (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HG#) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak   996 ! spec=13CA, no=996, id=2236, vol=1.160000e+05
assign (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HG#) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak   996 ! spec=13CA, no=996, id=2236, vol=1.160000e+05
assign (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HG#) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak   996 ! spec=13CA, no=996, id=2236, vol=1.160000e+05
assign (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HG#) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak   996 ! spec=13CA, no=996, id=2236, vol=1.160000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   28 and name  HG#) 3.177 1.261 1.261 weight 1.000 spectrum  1 peak   997 ! spec=13CA, no=997, id=2237, vol=3.470000e+05
assign (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   28 and name  HG#) 3.177 1.261 1.261 weight 1.000 spectrum  1 peak   997 ! spec=13CA, no=997, id=2237, vol=3.470000e+05
assign (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   28 and name  HG#) 3.177 1.261 1.261 weight 1.000 spectrum  1 peak   997 ! spec=13CA, no=997, id=2237, vol=3.470000e+05
assign (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   28 and name  HG#) 3.177 1.261 1.261 weight 1.000 spectrum  1 peak   997 ! spec=13CA, no=997, id=2237, vol=3.470000e+05
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name   HA) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   999 ! spec=13CA, no=999, id=2239, vol=1.970000e+06
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name   HA) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   999 ! spec=13CA, no=999, id=2239, vol=1.970000e+06
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name   HA) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   999 ! spec=13CA, no=999, id=2239, vol=1.970000e+06
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name   HA) 2.378 0.707 0.707 weight 1.000 spectrum  1 peak   999 ! spec=13CA, no=999, id=2239, vol=1.970000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1000 ! spec=13CA, no=1000, id=2240, vol=1.140000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1000 ! spec=13CA, no=1000, id=2240, vol=1.140000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1000 ! spec=13CA, no=1000, id=2240, vol=1.140000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name   HA) 2.605 0.849 0.849 weight 1.000 spectrum  1 peak  1000 ! spec=13CA, no=1000, id=2240, vol=1.140000e+06
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak  1007 ! spec=13CA, no=1007, id=2246, vol=2.120000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak  1007 ! spec=13CA, no=1007, id=2246, vol=2.120000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak  1007 ! spec=13CA, no=1007, id=2246, vol=2.120000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 3.449 1.487 1.487 weight 1.000 spectrum  1 peak  1007 ! spec=13CA, no=1007, id=2246, vol=2.120000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   19 and name  HB#) 3.395 3.395 2.605 weight 1.000 spectrum  1 peak  1023 ! spec=13CA, no=1023, id=2257, vol=2.330000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   19 and name  HB#) 3.395 3.395 2.605 weight 1.000 spectrum  1 peak  1023 ! spec=13CA, no=1023, id=2257, vol=2.330000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   19 and name  HB#) 3.395 3.395 2.605 weight 1.000 spectrum  1 peak  1023 ! spec=13CA, no=1023, id=2257, vol=2.330000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   19 and name  HB#) 3.395 3.395 2.605 weight 1.000 spectrum  1 peak  1023 ! spec=13CA, no=1023, id=2257, vol=2.330000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name  HB#) 2.693 0.907 0.907 weight 1.000 spectrum  1 peak  1031 ! spec=13CA, no=1031, id=2265, vol=9.340000e+05
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   15 and name  HB#) 2.693 0.907 0.907 weight 1.000 spectrum  1 peak  1031 ! spec=13CA, no=1031, id=2265, vol=9.340000e+05
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   15 and name  HB#) 2.693 0.907 0.907 weight 1.000 spectrum  1 peak  1031 ! spec=13CA, no=1031, id=2265, vol=9.340000e+05
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   15 and name  HB#) 2.693 0.907 0.907 weight 1.000 spectrum  1 peak  1031 ! spec=13CA, no=1031, id=2265, vol=9.340000e+05
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    3 and name  HB#) 3.133 3.133 2.867 weight 1.000 spectrum  1 peak  1035 ! spec=13CA, no=1035, id=2268, vol=3.770000e+05
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    3 and name  HB#) 3.133 3.133 2.867 weight 1.000 spectrum  1 peak  1035 ! spec=13CA, no=1035, id=2268, vol=3.770000e+05
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    3 and name  HB#) 3.133 3.133 2.867 weight 1.000 spectrum  1 peak  1035 ! spec=13CA, no=1035, id=2268, vol=3.770000e+05
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    3 and name  HB#) 3.133 3.133 2.867 weight 1.000 spectrum  1 peak  1035 ! spec=13CA, no=1035, id=2268, vol=3.770000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    3 and name  HB#) 3.279 1.344 1.344 weight 1.000 spectrum  1 peak  1042 ! spec=13CA, no=1042, id=2270, vol=2.870000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   B" and resid    3 and name  HB#) 3.279 1.344 1.344 weight 1.000 spectrum  1 peak  1042 ! spec=13CA, no=1042, id=2270, vol=2.870000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   C" and resid    3 and name  HB#) 3.279 1.344 1.344 weight 1.000 spectrum  1 peak  1042 ! spec=13CA, no=1042, id=2270, vol=2.870000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   D" and resid    3 and name  HB#) 3.279 1.344 1.344 weight 1.000 spectrum  1 peak  1042 ! spec=13CA, no=1042, id=2270, vol=2.870000e+05
assign (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    4 and name   HA) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1043 ! spec=13CA, no=1043, id=2271, vol=2.180000e+05
assign (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    4 and name   HA) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1043 ! spec=13CA, no=1043, id=2271, vol=2.180000e+05
assign (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    4 and name   HA) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1043 ! spec=13CA, no=1043, id=2271, vol=2.180000e+05
assign (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    4 and name   HA) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1043 ! spec=13CA, no=1043, id=2271, vol=2.180000e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    3 and name  HB#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1046 ! spec=13CA, no=1046, id=2274, vol=1.730000e+05
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    3 and name  HB#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1046 ! spec=13CA, no=1046, id=2274, vol=1.730000e+05
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    3 and name  HB#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1046 ! spec=13CA, no=1046, id=2274, vol=1.730000e+05
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    3 and name  HB#) 3.567 1.591 1.591 weight 1.000 spectrum  1 peak  1046 ! spec=13CA, no=1046, id=2274, vol=1.730000e+05
assign (segid "   A" and resid    3 and name  HB#) (segid "   A" and resid    3 and name   HA) 1.828 0.418 0.622 weight 1.000 spectrum  1 peak  1047 ! spec=13CA, no=1047, id=2275, vol=9.550000e+06
assign (segid "   B" and resid    3 and name  HB#) (segid "   B" and resid    3 and name   HA) 1.828 0.418 0.622 weight 1.000 spectrum  1 peak  1047 ! spec=13CA, no=1047, id=2275, vol=9.550000e+06
assign (segid "   C" and resid    3 and name  HB#) (segid "   C" and resid    3 and name   HA) 1.828 0.418 0.622 weight 1.000 spectrum  1 peak  1047 ! spec=13CA, no=1047, id=2275, vol=9.550000e+06
assign (segid "   D" and resid    3 and name  HB#) (segid "   D" and resid    3 and name   HA) 1.828 0.418 0.622 weight 1.000 spectrum  1 peak  1047 ! spec=13CA, no=1047, id=2275, vol=9.550000e+06
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   15 and name  HB#) 2.669 0.891 0.891 weight 1.000 spectrum  1 peak  1050 ! spec=13CA, no=1050, id=2277, vol=9.860000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   15 and name  HB#) 2.669 0.891 0.891 weight 1.000 spectrum  1 peak  1050 ! spec=13CA, no=1050, id=2277, vol=9.860000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   15 and name  HB#) 2.669 0.891 0.891 weight 1.000 spectrum  1 peak  1050 ! spec=13CA, no=1050, id=2277, vol=9.860000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   15 and name  HB#) 2.669 0.891 0.891 weight 1.000 spectrum  1 peak  1050 ! spec=13CA, no=1050, id=2277, vol=9.860000e+05
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    1 and name  HB#) 1.348 1.348 4.652 weight 1.000 spectrum  1 peak  1061 ! spec=13CA, no=1061, id=2285, vol=5.940000e+07
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    1 and name  HB#) 1.348 1.348 4.652 weight 1.000 spectrum  1 peak  1061 ! spec=13CA, no=1061, id=2285, vol=5.940000e+07
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    1 and name  HB#) 1.348 1.348 4.652 weight 1.000 spectrum  1 peak  1061 ! spec=13CA, no=1061, id=2285, vol=5.940000e+07
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    1 and name  HB#) 1.348 1.348 4.652 weight 1.000 spectrum  1 peak  1061 ! spec=13CA, no=1061, id=2285, vol=5.940000e+07
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   37 and name  HB#) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1063 ! spec=13CA, no=1063, id=2286, vol=1.140000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   37 and name  HB#) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1063 ! spec=13CA, no=1063, id=2286, vol=1.140000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   37 and name  HB#) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1063 ! spec=13CA, no=1063, id=2286, vol=1.140000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   37 and name  HB#) 3.824 1.828 1.828 weight 1.000 spectrum  1 peak  1063 ! spec=13CA, no=1063, id=2286, vol=1.140000e+05
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    1 and name   HA) 2.058 2.058 3.942 weight 1.000 spectrum  1 peak  1067 ! spec=13CA, no=1067, id=2290, vol=4.700000e+06
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    1 and name   HA) 2.058 2.058 3.942 weight 1.000 spectrum  1 peak  1067 ! spec=13CA, no=1067, id=2290, vol=4.700000e+06
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    1 and name   HA) 2.058 2.058 3.942 weight 1.000 spectrum  1 peak  1067 ! spec=13CA, no=1067, id=2290, vol=4.700000e+06
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    1 and name   HA) 2.058 2.058 3.942 weight 1.000 spectrum  1 peak  1067 ! spec=13CA, no=1067, id=2290, vol=4.700000e+06
assign (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  1069 ! spec=13CA, no=1069, id=2292, vol=1.510000e+05
assign (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  1069 ! spec=13CA, no=1069, id=2292, vol=1.510000e+05
assign (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  1069 ! spec=13CA, no=1069, id=2292, vol=1.510000e+05
assign (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HG#) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  1069 ! spec=13CA, no=1069, id=2292, vol=1.510000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   C" and resid   28 and name  HG#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  1074 ! spec=13CA, no=1074, id=2296, vol=3.020000e+05
assign (segid "   B" and resid   24 and name   HA) (segid "   D" and resid   28 and name  HG#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  1074 ! spec=13CA, no=1074, id=2296, vol=3.020000e+05
assign (segid "   C" and resid   24 and name   HA) (segid "   A" and resid   28 and name  HG#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  1074 ! spec=13CA, no=1074, id=2296, vol=3.020000e+05
assign (segid "   D" and resid   24 and name   HA) (segid "   B" and resid   28 and name  HG#) 3.251 1.321 1.321 weight 1.000 spectrum  1 peak  1074 ! spec=13CA, no=1074, id=2296, vol=3.020000e+05
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   28 and name  HG#) 2.450 0.750 0.750 weight 1.000 spectrum  1 peak  1084 ! spec=13CA, no=1084, id=2303, vol=1.650000e+06
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   28 and name  HG#) 2.450 0.750 0.750 weight 1.000 spectrum  1 peak  1084 ! spec=13CA, no=1084, id=2303, vol=1.650000e+06
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   28 and name  HG#) 2.450 0.750 0.750 weight 1.000 spectrum  1 peak  1084 ! spec=13CA, no=1084, id=2303, vol=1.650000e+06
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   28 and name  HG#) 2.450 0.750 0.750 weight 1.000 spectrum  1 peak  1084 ! spec=13CA, no=1084, id=2303, vol=1.650000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name  HG#) 1.920 0.461 0.461 weight 1.000 spectrum  1 peak  1087 ! spec=13CA, no=1087, id=2305, vol=7.120000e+06
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name  HG#) 1.920 0.461 0.461 weight 1.000 spectrum  1 peak  1087 ! spec=13CA, no=1087, id=2305, vol=7.120000e+06
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name  HG#) 1.920 0.461 0.461 weight 1.000 spectrum  1 peak  1087 ! spec=13CA, no=1087, id=2305, vol=7.120000e+06
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name  HG#) 1.920 0.461 0.461 weight 1.000 spectrum  1 peak  1087 ! spec=13CA, no=1087, id=2305, vol=7.120000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   C" and resid   28 and name  HG#) 3.596 3.596 2.404 weight 1.000 spectrum  1 peak  1088 ! spec=13CA, no=1088, id=2306, vol=1.650000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   D" and resid   28 and name  HG#) 3.596 3.596 2.404 weight 1.000 spectrum  1 peak  1088 ! spec=13CA, no=1088, id=2306, vol=1.650000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   A" and resid   28 and name  HG#) 3.596 3.596 2.404 weight 1.000 spectrum  1 peak  1088 ! spec=13CA, no=1088, id=2306, vol=1.650000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   B" and resid   28 and name  HG#) 3.596 3.596 2.404 weight 1.000 spectrum  1 peak  1088 ! spec=13CA, no=1088, id=2306, vol=1.650000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   37 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  1 peak  1090 ! spec=13CA, no=1090, id=2308, vol=2.790000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   37 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  1 peak  1090 ! spec=13CA, no=1090, id=2308, vol=2.790000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   37 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  1 peak  1090 ! spec=13CA, no=1090, id=2308, vol=2.790000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   37 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  1 peak  1090 ! spec=13CA, no=1090, id=2308, vol=2.790000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.792 1.797 1.797 weight 1.000 spectrum  1 peak  1097 ! spec=13CA, no=1097, id=2314, vol=1.200000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.792 1.797 1.797 weight 1.000 spectrum  1 peak  1097 ! spec=13CA, no=1097, id=2314, vol=1.200000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.792 1.797 1.797 weight 1.000 spectrum  1 peak  1097 ! spec=13CA, no=1097, id=2314, vol=1.200000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.792 1.797 1.797 weight 1.000 spectrum  1 peak  1097 ! spec=13CA, no=1097, id=2314, vol=1.200000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid    9 and name   HB) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak  1100 ! spec=13CA, no=1100, id=2316, vol=2.370000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid    9 and name   HB) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak  1100 ! spec=13CA, no=1100, id=2316, vol=2.370000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid    9 and name   HB) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak  1100 ! spec=13CA, no=1100, id=2316, vol=2.370000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid    9 and name   HB) 3.385 1.432 1.432 weight 1.000 spectrum  1 peak  1100 ! spec=13CA, no=1100, id=2316, vol=2.370000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HB#) 3.497 1.529 2.349 weight 1.000 spectrum  1 peak  1103 ! spec=13CA, no=1103, id=2319, vol=1.950000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HB#) 3.497 1.529 2.349 weight 1.000 spectrum  1 peak  1103 ! spec=13CA, no=1103, id=2319, vol=1.950000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HB#) 3.497 1.529 2.349 weight 1.000 spectrum  1 peak  1103 ! spec=13CA, no=1103, id=2319, vol=1.950000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HB#) 3.497 1.529 2.349 weight 1.000 spectrum  1 peak  1103 ! spec=13CA, no=1103, id=2319, vol=1.950000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name  HB#) 3.497 3.497 2.503 weight 1.000 spectrum  1 peak  1108 ! spec=13CA, no=1108, id=2323, vol=1.950000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name  HB#) 3.497 3.497 2.503 weight 1.000 spectrum  1 peak  1108 ! spec=13CA, no=1108, id=2323, vol=1.950000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name  HB#) 3.497 3.497 2.503 weight 1.000 spectrum  1 peak  1108 ! spec=13CA, no=1108, id=2323, vol=1.950000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name  HB#) 3.497 3.497 2.503 weight 1.000 spectrum  1 peak  1108 ! spec=13CA, no=1108, id=2323, vol=1.950000e+05
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   20 and name  HE#) 4.050 2.050 2.050 weight 1.000 spectrum  1 peak  1111 ! spec=13CA, no=1111, id=2326, vol=8.080000e+04
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   20 and name  HE#) 4.050 2.050 2.050 weight 1.000 spectrum  1 peak  1111 ! spec=13CA, no=1111, id=2326, vol=8.080000e+04
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   20 and name  HE#) 4.050 2.050 2.050 weight 1.000 spectrum  1 peak  1111 ! spec=13CA, no=1111, id=2326, vol=8.080000e+04
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   20 and name  HE#) 4.050 2.050 2.050 weight 1.000 spectrum  1 peak  1111 ! spec=13CA, no=1111, id=2326, vol=8.080000e+04
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   26 and name  HG#) 3.557 1.582 1.582 weight 1.000 spectrum  1 peak  1115 ! spec=13CA, no=1115, id=2329, vol=1.760000e+05
assign (segid "   B" and resid   22 and name   HA) (segid "   B" and resid   26 and name  HG#) 3.557 1.582 1.582 weight 1.000 spectrum  1 peak  1115 ! spec=13CA, no=1115, id=2329, vol=1.760000e+05
assign (segid "   C" and resid   22 and name   HA) (segid "   C" and resid   26 and name  HG#) 3.557 1.582 1.582 weight 1.000 spectrum  1 peak  1115 ! spec=13CA, no=1115, id=2329, vol=1.760000e+05
assign (segid "   D" and resid   22 and name   HA) (segid "   D" and resid   26 and name  HG#) 3.557 1.582 1.582 weight 1.000 spectrum  1 peak  1115 ! spec=13CA, no=1115, id=2329, vol=1.760000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   26 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1116 ! spec=13CA, no=1116, id=2330, vol=1.460000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   26 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1116 ! spec=13CA, no=1116, id=2330, vol=1.460000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   26 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1116 ! spec=13CA, no=1116, id=2330, vol=1.460000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   26 and name  HG#) 3.670 1.683 1.683 weight 1.000 spectrum  1 peak  1116 ! spec=13CA, no=1116, id=2330, vol=1.460000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name   HA) 2.515 0.790 0.790 weight 1.000 spectrum  1 peak  1118 ! spec=13CA, no=1118, id=2332, vol=1.410000e+06
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name   HA) 2.515 0.790 0.790 weight 1.000 spectrum  1 peak  1118 ! spec=13CA, no=1118, id=2332, vol=1.410000e+06
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name   HA) 2.515 0.790 0.790 weight 1.000 spectrum  1 peak  1118 ! spec=13CA, no=1118, id=2332, vol=1.410000e+06
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name   HA) 2.515 0.790 0.790 weight 1.000 spectrum  1 peak  1118 ! spec=13CA, no=1118, id=2332, vol=1.410000e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.497 1.529 1.529 weight 1.000 spectrum  1 peak  1119 ! spec=13CA, no=1119, id=2333, vol=1.950000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.497 1.529 1.529 weight 1.000 spectrum  1 peak  1119 ! spec=13CA, no=1119, id=2333, vol=1.950000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.497 1.529 1.529 weight 1.000 spectrum  1 peak  1119 ! spec=13CA, no=1119, id=2333, vol=1.950000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.497 1.529 1.529 weight 1.000 spectrum  1 peak  1119 ! spec=13CA, no=1119, id=2333, vol=1.950000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HG#) 3.629 1.647 1.647 weight 1.000 spectrum  1 peak  1133 ! spec=13CA, no=1133, id=2342, vol=1.560000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HG#) 3.629 1.647 1.647 weight 1.000 spectrum  1 peak  1133 ! spec=13CA, no=1133, id=2342, vol=1.560000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HG#) 3.629 1.647 1.647 weight 1.000 spectrum  1 peak  1133 ! spec=13CA, no=1133, id=2342, vol=1.560000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HG#) 3.629 1.647 1.647 weight 1.000 spectrum  1 peak  1133 ! spec=13CA, no=1133, id=2342, vol=1.560000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   D" and resid   20 and name  HE#) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak  1146 ! spec=13CA, no=1146, id=2353, vol=1.190000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   C" and resid   20 and name  HE#) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak  1146 ! spec=13CA, no=1146, id=2353, vol=1.190000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   B" and resid   20 and name  HE#) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak  1146 ! spec=13CA, no=1146, id=2353, vol=1.190000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   A" and resid   20 and name  HE#) 2.587 0.836 0.836 weight 1.000 spectrum  1 peak  1146 ! spec=13CA, no=1146, id=2353, vol=1.190000e+06
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name   HA) 2.492 2.492 3.508 weight 1.000 spectrum  1 peak  1153 ! spec=13CA, no=1153, id=2357, vol=1.490000e+06
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name   HA) 2.492 2.492 3.508 weight 1.000 spectrum  1 peak  1153 ! spec=13CA, no=1153, id=2357, vol=1.490000e+06
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name   HA) 2.492 2.492 3.508 weight 1.000 spectrum  1 peak  1153 ! spec=13CA, no=1153, id=2357, vol=1.490000e+06
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name   HA) 2.492 2.492 3.508 weight 1.000 spectrum  1 peak  1153 ! spec=13CA, no=1153, id=2357, vol=1.490000e+06
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   26 and name  HG#) 3.430 1.471 1.471 weight 1.000 spectrum  1 peak  1154 ! spec=13CA, no=1154, id=2358, vol=2.190000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   26 and name  HG#) 3.430 1.471 1.471 weight 1.000 spectrum  1 peak  1154 ! spec=13CA, no=1154, id=2358, vol=2.190000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   26 and name  HG#) 3.430 1.471 1.471 weight 1.000 spectrum  1 peak  1154 ! spec=13CA, no=1154, id=2358, vol=2.190000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   26 and name  HG#) 3.430 1.471 1.471 weight 1.000 spectrum  1 peak  1154 ! spec=13CA, no=1154, id=2358, vol=2.190000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HB#) 2.181 0.595 0.595 weight 1.000 spectrum  1 peak  1160 ! spec=13CA, no=1160, id=2362, vol=3.310000e+06
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HB#) 2.181 0.595 0.595 weight 1.000 spectrum  1 peak  1160 ! spec=13CA, no=1160, id=2362, vol=3.310000e+06
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HB#) 2.181 0.595 0.595 weight 1.000 spectrum  1 peak  1160 ! spec=13CA, no=1160, id=2362, vol=3.310000e+06
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HB#) 2.181 0.595 0.595 weight 1.000 spectrum  1 peak  1160 ! spec=13CA, no=1160, id=2362, vol=3.310000e+06
assign (segid "   A" and resid   48 and name  HB#) (segid "   D" and resid    6 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak  1163 ! spec=13CA, no=1163, id=2365, vol=2.050000e+05
assign (segid "   B" and resid   48 and name  HB#) (segid "   C" and resid    6 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak  1163 ! spec=13CA, no=1163, id=2365, vol=2.050000e+05
assign (segid "   C" and resid   48 and name  HB#) (segid "   B" and resid    6 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak  1163 ! spec=13CA, no=1163, id=2365, vol=2.050000e+05
assign (segid "   D" and resid   48 and name  HB#) (segid "   A" and resid    6 and name  HB#) 3.468 1.503 1.503 weight 1.000 spectrum  1 peak  1163 ! spec=13CA, no=1163, id=2365, vol=2.050000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name   HA) 2.414 0.729 0.729 weight 1.000 spectrum  1 peak  1164 ! spec=13CA, no=1164, id=2366, vol=1.800000e+06
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name   HA) 2.414 0.729 0.729 weight 1.000 spectrum  1 peak  1164 ! spec=13CA, no=1164, id=2366, vol=1.800000e+06
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name   HA) 2.414 0.729 0.729 weight 1.000 spectrum  1 peak  1164 ! spec=13CA, no=1164, id=2366, vol=1.800000e+06
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name   HA) 2.414 0.729 0.729 weight 1.000 spectrum  1 peak  1164 ! spec=13CA, no=1164, id=2366, vol=1.800000e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1165 ! spec=13CA, no=1165, id=2367, vol=2.180000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   B" and resid    6 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1165 ! spec=13CA, no=1165, id=2367, vol=2.180000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   C" and resid    6 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1165 ! spec=13CA, no=1165, id=2367, vol=2.180000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   D" and resid    6 and name  HB#) 3.433 1.473 1.473 weight 1.000 spectrum  1 peak  1165 ! spec=13CA, no=1165, id=2367, vol=2.180000e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name  HB#) 3.500 1.531 1.531 weight 1.000 spectrum  1 peak  1168 ! spec=13CA, no=1168, id=2370, vol=1.940000e+05
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   14 and name  HB#) 3.500 1.531 1.531 weight 1.000 spectrum  1 peak  1168 ! spec=13CA, no=1168, id=2370, vol=1.940000e+05
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   14 and name  HB#) 3.500 1.531 1.531 weight 1.000 spectrum  1 peak  1168 ! spec=13CA, no=1168, id=2370, vol=1.940000e+05
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   14 and name  HB#) 3.500 1.531 1.531 weight 1.000 spectrum  1 peak  1168 ! spec=13CA, no=1168, id=2370, vol=1.940000e+05
assign (segid "   A" and resid   11 and name  HA#) (segid "   A" and resid   14 and name  HB#) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak  1172 ! spec=13CA, no=1172, id=2373, vol=1.520000e+05
assign (segid "   B" and resid   11 and name  HA#) (segid "   B" and resid   14 and name  HB#) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak  1172 ! spec=13CA, no=1172, id=2373, vol=1.520000e+05
assign (segid "   C" and resid   11 and name  HA#) (segid "   C" and resid   14 and name  HB#) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak  1172 ! spec=13CA, no=1172, id=2373, vol=1.520000e+05
assign (segid "   D" and resid   11 and name  HA#) (segid "   D" and resid   14 and name  HB#) 3.645 1.661 1.661 weight 1.000 spectrum  1 peak  1172 ! spec=13CA, no=1172, id=2373, vol=1.520000e+05
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   14 and name  HB#) 3.713 1.724 1.724 weight 1.000 spectrum  1 peak  1175 ! spec=13CA, no=1175, id=2374, vol=1.360000e+05
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   14 and name  HB#) 3.713 1.724 1.724 weight 1.000 spectrum  1 peak  1175 ! spec=13CA, no=1175, id=2374, vol=1.360000e+05
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   14 and name  HB#) 3.713 1.724 1.724 weight 1.000 spectrum  1 peak  1175 ! spec=13CA, no=1175, id=2374, vol=1.360000e+05
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   14 and name  HB#) 3.713 1.724 1.724 weight 1.000 spectrum  1 peak  1175 ! spec=13CA, no=1175, id=2374, vol=1.360000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   D" and resid   14 and name  HB#) 3.727 3.727 2.482 weight 1.000 spectrum  1 peak  1182 ! spec=13CA, no=1182, id=2377, vol=1.330000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   C" and resid   14 and name  HB#) 3.727 3.727 2.482 weight 1.000 spectrum  1 peak  1182 ! spec=13CA, no=1182, id=2377, vol=1.330000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   B" and resid   14 and name  HB#) 3.727 3.727 2.482 weight 1.000 spectrum  1 peak  1182 ! spec=13CA, no=1182, id=2377, vol=1.330000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   A" and resid   14 and name  HB#) 3.727 3.727 2.482 weight 1.000 spectrum  1 peak  1182 ! spec=13CA, no=1182, id=2377, vol=1.330000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid   22 and name  HE#) 2.801 2.801 3.199 weight 1.000 spectrum  1 peak  1196 ! spec=13CA, no=1196, id=2390, vol=7.380000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid   22 and name  HE#) 2.801 2.801 3.199 weight 1.000 spectrum  1 peak  1196 ! spec=13CA, no=1196, id=2390, vol=7.380000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid   22 and name  HE#) 2.801 2.801 3.199 weight 1.000 spectrum  1 peak  1196 ! spec=13CA, no=1196, id=2390, vol=7.380000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid   22 and name  HE#) 2.801 2.801 3.199 weight 1.000 spectrum  1 peak  1196 ! spec=13CA, no=1196, id=2390, vol=7.380000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HD#) 3.076 3.076 2.924 weight 1.000 spectrum  1 peak  1208 ! spec=13CA, no=1208, id=2400, vol=4.210000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HD#) 3.076 3.076 2.924 weight 1.000 spectrum  1 peak  1208 ! spec=13CA, no=1208, id=2400, vol=4.210000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HD#) 3.076 3.076 2.924 weight 1.000 spectrum  1 peak  1208 ! spec=13CA, no=1208, id=2400, vol=4.210000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HD#) 3.076 3.076 2.924 weight 1.000 spectrum  1 peak  1208 ! spec=13CA, no=1208, id=2400, vol=4.210000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   22 and name  HE#) 3.407 1.451 1.451 weight 1.000 spectrum  1 peak  1209 ! spec=13CA, no=1209, id=2401, vol=2.280000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   22 and name  HE#) 3.407 1.451 1.451 weight 1.000 spectrum  1 peak  1209 ! spec=13CA, no=1209, id=2401, vol=2.280000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   22 and name  HE#) 3.407 1.451 1.451 weight 1.000 spectrum  1 peak  1209 ! spec=13CA, no=1209, id=2401, vol=2.280000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   22 and name  HE#) 3.407 1.451 1.451 weight 1.000 spectrum  1 peak  1209 ! spec=13CA, no=1209, id=2401, vol=2.280000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid   22 and name  HE#) 3.213 1.291 1.291 weight 1.000 spectrum  1 peak  1210 ! spec=13CA, no=1210, id=2402, vol=3.240000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid   22 and name  HE#) 3.213 1.291 1.291 weight 1.000 spectrum  1 peak  1210 ! spec=13CA, no=1210, id=2402, vol=3.240000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid   22 and name  HE#) 3.213 1.291 1.291 weight 1.000 spectrum  1 peak  1210 ! spec=13CA, no=1210, id=2402, vol=3.240000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid   22 and name  HE#) 3.213 1.291 1.291 weight 1.000 spectrum  1 peak  1210 ! spec=13CA, no=1210, id=2402, vol=3.240000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak  1212 ! spec=13CA, no=1212, id=2404, vol=1.030000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak  1212 ! spec=13CA, no=1212, id=2404, vol=1.030000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak  1212 ! spec=13CA, no=1212, id=2404, vol=1.030000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  1 peak  1212 ! spec=13CA, no=1212, id=2404, vol=1.030000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   22 and name  HE#) 3.454 1.491 1.491 weight 1.000 spectrum  1 peak  1213 ! spec=13CA, no=1213, id=2405, vol=2.100000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   22 and name  HE#) 3.454 1.491 1.491 weight 1.000 spectrum  1 peak  1213 ! spec=13CA, no=1213, id=2405, vol=2.100000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   22 and name  HE#) 3.454 1.491 1.491 weight 1.000 spectrum  1 peak  1213 ! spec=13CA, no=1213, id=2405, vol=2.100000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   22 and name  HE#) 3.454 1.491 1.491 weight 1.000 spectrum  1 peak  1213 ! spec=13CA, no=1213, id=2405, vol=2.100000e+05
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   12 and name  HD#) 2.886 1.041 1.041 weight 1.000 spectrum  1 peak  1215 ! spec=13CA, no=1215, id=2407, vol=6.170000e+05
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   12 and name  HD#) 2.886 1.041 1.041 weight 1.000 spectrum  1 peak  1215 ! spec=13CA, no=1215, id=2407, vol=6.170000e+05
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   12 and name  HD#) 2.886 1.041 1.041 weight 1.000 spectrum  1 peak  1215 ! spec=13CA, no=1215, id=2407, vol=6.170000e+05
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   12 and name  HD#) 2.886 1.041 1.041 weight 1.000 spectrum  1 peak  1215 ! spec=13CA, no=1215, id=2407, vol=6.170000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   22 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  1 peak  1223 ! spec=13CA, no=1223, id=2414, vol=9.930000e+04
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   22 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  1 peak  1223 ! spec=13CA, no=1223, id=2414, vol=9.930000e+04
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   22 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  1 peak  1223 ! spec=13CA, no=1223, id=2414, vol=9.930000e+04
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   22 and name  HE#) 3.913 1.914 1.914 weight 1.000 spectrum  1 peak  1223 ! spec=13CA, no=1223, id=2414, vol=9.930000e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   39 and name  HB#) 3.883 1.885 1.885 weight 1.000 spectrum  1 peak  1231 ! spec=13CA, no=1231, id=2417, vol=1.040000e+05
assign (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   39 and name  HB#) 3.883 1.885 1.885 weight 1.000 spectrum  1 peak  1231 ! spec=13CA, no=1231, id=2417, vol=1.040000e+05
assign (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   39 and name  HB#) 3.883 1.885 1.885 weight 1.000 spectrum  1 peak  1231 ! spec=13CA, no=1231, id=2417, vol=1.040000e+05
assign (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   39 and name  HB#) 3.883 1.885 1.885 weight 1.000 spectrum  1 peak  1231 ! spec=13CA, no=1231, id=2417, vol=1.040000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1235 ! spec=13CA, no=1235, id=2421, vol=2.360000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1235 ! spec=13CA, no=1235, id=2421, vol=2.360000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1235 ! spec=13CA, no=1235, id=2421, vol=2.360000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1235 ! spec=13CA, no=1235, id=2421, vol=2.360000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak  1237 ! spec=13CA, no=1237, id=2423, vol=1.300000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak  1237 ! spec=13CA, no=1237, id=2423, vol=1.300000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak  1237 ! spec=13CA, no=1237, id=2423, vol=1.300000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.741 1.750 1.750 weight 1.000 spectrum  1 peak  1237 ! spec=13CA, no=1237, id=2423, vol=1.300000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid   22 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  1 peak  1238 ! spec=13CA, no=1238, id=2424, vol=8.430000e+04
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid   22 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  1 peak  1238 ! spec=13CA, no=1238, id=2424, vol=8.430000e+04
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid   22 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  1 peak  1238 ! spec=13CA, no=1238, id=2424, vol=8.430000e+04
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid   22 and name  HE#) 4.022 2.022 2.022 weight 1.000 spectrum  1 peak  1238 ! spec=13CA, no=1238, id=2424, vol=8.430000e+04
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   40 and name  HD#) 2.663 0.886 0.886 weight 1.000 spectrum  1 peak  1239 ! spec=13CA, no=1239, id=2425, vol=1.000000e+06
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   40 and name  HD#) 2.663 0.886 0.886 weight 1.000 spectrum  1 peak  1239 ! spec=13CA, no=1239, id=2425, vol=1.000000e+06
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   40 and name  HD#) 2.663 0.886 0.886 weight 1.000 spectrum  1 peak  1239 ! spec=13CA, no=1239, id=2425, vol=1.000000e+06
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   40 and name  HD#) 2.663 0.886 0.886 weight 1.000 spectrum  1 peak  1239 ! spec=13CA, no=1239, id=2425, vol=1.000000e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name  HD#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak  1256 ! spec=13CA, no=1256, id=2436, vol=2.440000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name  HD#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak  1256 ! spec=13CA, no=1256, id=2436, vol=2.440000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name  HD#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak  1256 ! spec=13CA, no=1256, id=2436, vol=2.440000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name  HD#) 3.369 1.419 1.419 weight 1.000 spectrum  1 peak  1256 ! spec=13CA, no=1256, id=2436, vol=2.440000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  1257 ! spec=13CA, no=1257, id=2437, vol=2.920000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  1257 ! spec=13CA, no=1257, id=2437, vol=2.920000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  1257 ! spec=13CA, no=1257, id=2437, vol=2.920000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  1257 ! spec=13CA, no=1257, id=2437, vol=2.920000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  1 peak  1262 ! spec=13CA, no=1262, id=2442, vol=1.670000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  1 peak  1262 ! spec=13CA, no=1262, id=2442, vol=1.670000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  1 peak  1262 ! spec=13CA, no=1262, id=2442, vol=1.670000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  1 peak  1262 ! spec=13CA, no=1262, id=2442, vol=1.670000e+05
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   10 and name  HD#) 3.283 1.347 1.347 weight 1.000 spectrum  1 peak  1263 ! spec=13CA, no=1263, id=2443, vol=2.850000e+05
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   10 and name  HD#) 3.283 1.347 1.347 weight 1.000 spectrum  1 peak  1263 ! spec=13CA, no=1263, id=2443, vol=2.850000e+05
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   10 and name  HD#) 3.283 1.347 1.347 weight 1.000 spectrum  1 peak  1263 ! spec=13CA, no=1263, id=2443, vol=2.850000e+05
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   10 and name  HD#) 3.283 1.347 1.347 weight 1.000 spectrum  1 peak  1263 ! spec=13CA, no=1263, id=2443, vol=2.850000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid   22 and name  HE#) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1264 ! spec=13CA, no=1264, id=2444, vol=9.060000e+04
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid   22 and name  HE#) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1264 ! spec=13CA, no=1264, id=2444, vol=9.060000e+04
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid   22 and name  HE#) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1264 ! spec=13CA, no=1264, id=2444, vol=9.060000e+04
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid   22 and name  HE#) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1264 ! spec=13CA, no=1264, id=2444, vol=9.060000e+04
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   22 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1266 ! spec=13CA, no=1266, id=2446, vol=1.450000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   22 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1266 ! spec=13CA, no=1266, id=2446, vol=1.450000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   22 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1266 ! spec=13CA, no=1266, id=2446, vol=1.450000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   22 and name  HE#) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1266 ! spec=13CA, no=1266, id=2446, vol=1.450000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HE#) 1.797 0.404 0.404 weight 1.000 spectrum  1 peak  1268 ! spec=13CA, no=1268, id=2447, vol=1.060000e+07
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HE#) 1.797 0.404 0.404 weight 1.000 spectrum  1 peak  1268 ! spec=13CA, no=1268, id=2447, vol=1.060000e+07
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HE#) 1.797 0.404 0.404 weight 1.000 spectrum  1 peak  1268 ! spec=13CA, no=1268, id=2447, vol=1.060000e+07
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HE#) 1.797 0.404 0.404 weight 1.000 spectrum  1 peak  1268 ! spec=13CA, no=1268, id=2447, vol=1.060000e+07
assign (segid "   A" and resid   22 and name  HE#) (segid "   A" and resid   22 and name  HB#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1276 ! spec=13CA, no=1276, id=2453, vol=1.070000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   B" and resid   22 and name  HB#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1276 ! spec=13CA, no=1276, id=2453, vol=1.070000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   C" and resid   22 and name  HB#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1276 ! spec=13CA, no=1276, id=2453, vol=1.070000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   D" and resid   22 and name  HB#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1276 ! spec=13CA, no=1276, id=2453, vol=1.070000e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  1 peak  1292 ! spec=13CA, no=1292, id=2464, vol=1.690000e+06
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   39 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  1 peak  1292 ! spec=13CA, no=1292, id=2464, vol=1.690000e+06
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   39 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  1 peak  1292 ! spec=13CA, no=1292, id=2464, vol=1.690000e+06
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  1 peak  1292 ! spec=13CA, no=1292, id=2464, vol=1.690000e+06
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name  HB#) 3.400 3.400 2.600 weight 1.000 spectrum  1 peak  1293 ! spec=13CA, no=1293, id=2465, vol=2.310000e+05
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   39 and name  HB#) 3.400 3.400 2.600 weight 1.000 spectrum  1 peak  1293 ! spec=13CA, no=1293, id=2465, vol=2.310000e+05
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   39 and name  HB#) 3.400 3.400 2.600 weight 1.000 spectrum  1 peak  1293 ! spec=13CA, no=1293, id=2465, vol=2.310000e+05
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   39 and name  HB#) 3.400 3.400 2.600 weight 1.000 spectrum  1 peak  1293 ! spec=13CA, no=1293, id=2465, vol=2.310000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   39 and name  HB#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak  1294 ! spec=13CA, no=1294, id=2466, vol=1.010000e+05
assign (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   39 and name  HB#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak  1294 ! spec=13CA, no=1294, id=2466, vol=1.010000e+05
assign (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   39 and name  HB#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak  1294 ! spec=13CA, no=1294, id=2466, vol=1.010000e+05
assign (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   39 and name  HB#) 3.902 1.903 1.903 weight 1.000 spectrum  1 peak  1294 ! spec=13CA, no=1294, id=2466, vol=1.010000e+05
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   12 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  1 peak  1301 ! spec=13CA, no=1301, id=2471, vol=3.320000e+06
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   12 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  1 peak  1301 ! spec=13CA, no=1301, id=2471, vol=3.320000e+06
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   12 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  1 peak  1301 ! spec=13CA, no=1301, id=2471, vol=3.320000e+06
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   12 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  1 peak  1301 ! spec=13CA, no=1301, id=2471, vol=3.320000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name   HA) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1313 ! spec=13CA, no=1313, id=2481, vol=1.420000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name   HA) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1313 ! spec=13CA, no=1313, id=2481, vol=1.420000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name   HA) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1313 ! spec=13CA, no=1313, id=2481, vol=1.420000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name   HA) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1313 ! spec=13CA, no=1313, id=2481, vol=1.420000e+06
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HD#) 2.991 1.118 1.118 weight 1.000 spectrum  1 peak  1336 ! spec=13CA, no=1336, id=2502, vol=4.980000e+05
assign (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   34 and name  HD#) 2.991 1.118 1.118 weight 1.000 spectrum  1 peak  1336 ! spec=13CA, no=1336, id=2502, vol=4.980000e+05
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HD#) 2.991 1.118 1.118 weight 1.000 spectrum  1 peak  1336 ! spec=13CA, no=1336, id=2502, vol=4.980000e+05
assign (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   34 and name  HD#) 2.991 1.118 1.118 weight 1.000 spectrum  1 peak  1336 ! spec=13CA, no=1336, id=2502, vol=4.980000e+05
assign (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   36 and name   HA) 3.696 3.696 2.304 weight 1.000 spectrum  1 peak  1340 ! spec=13CA, no=1340, id=2505, vol=1.400000e+05
assign (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   36 and name   HA) 3.696 3.696 2.304 weight 1.000 spectrum  1 peak  1340 ! spec=13CA, no=1340, id=2505, vol=1.400000e+05
assign (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   36 and name   HA) 3.696 3.696 2.304 weight 1.000 spectrum  1 peak  1340 ! spec=13CA, no=1340, id=2505, vol=1.400000e+05
assign (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   36 and name   HA) 3.696 3.696 2.304 weight 1.000 spectrum  1 peak  1340 ! spec=13CA, no=1340, id=2505, vol=1.400000e+05
assign (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   36 and name   HA) 2.605 2.605 3.395 weight 1.000 spectrum  1 peak  1344 ! spec=13CA, no=1344, id=2508, vol=1.140000e+06
assign (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   36 and name   HA) 2.605 2.605 3.395 weight 1.000 spectrum  1 peak  1344 ! spec=13CA, no=1344, id=2508, vol=1.140000e+06
assign (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   36 and name   HA) 2.605 2.605 3.395 weight 1.000 spectrum  1 peak  1344 ! spec=13CA, no=1344, id=2508, vol=1.140000e+06
assign (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   36 and name   HA) 2.605 2.605 3.395 weight 1.000 spectrum  1 peak  1344 ! spec=13CA, no=1344, id=2508, vol=1.140000e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    4 and name   HB) 3.016 3.016 2.984 weight 1.000 spectrum  1 peak  1371 ! spec=13CA, no=1371, id=2528, vol=4.740000e+05
assign (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    4 and name   HB) 3.016 3.016 2.984 weight 1.000 spectrum  1 peak  1371 ! spec=13CA, no=1371, id=2528, vol=4.740000e+05
assign (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    4 and name   HB) 3.016 3.016 2.984 weight 1.000 spectrum  1 peak  1371 ! spec=13CA, no=1371, id=2528, vol=4.740000e+05
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    4 and name   HB) 3.016 3.016 2.984 weight 1.000 spectrum  1 peak  1371 ! spec=13CA, no=1371, id=2528, vol=4.740000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    4 and name   HB) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak  1372 ! spec=13CA, no=1372, id=2529, vol=1.160000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    4 and name   HB) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak  1372 ! spec=13CA, no=1372, id=2529, vol=1.160000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    4 and name   HB) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak  1372 ! spec=13CA, no=1372, id=2529, vol=1.160000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    4 and name   HB) 3.813 1.818 1.818 weight 1.000 spectrum  1 peak  1372 ! spec=13CA, no=1372, id=2529, vol=1.160000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    4 and name   HB) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak  1373 ! spec=13CA, no=1373, id=2530, vol=6.470000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    4 and name   HB) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak  1373 ! spec=13CA, no=1373, id=2530, vol=6.470000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    4 and name   HB) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak  1373 ! spec=13CA, no=1373, id=2530, vol=6.470000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    4 and name   HB) 2.863 1.025 1.025 weight 1.000 spectrum  1 peak  1373 ! spec=13CA, no=1373, id=2530, vol=6.470000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1375 ! spec=13CA, no=1375, id=2532, vol=1.080000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1375 ! spec=13CA, no=1375, id=2532, vol=1.080000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1375 ! spec=13CA, no=1375, id=2532, vol=1.080000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name   HB) 3.859 1.861 1.861 weight 1.000 spectrum  1 peak  1375 ! spec=13CA, no=1375, id=2532, vol=1.080000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   24 and name  HB#) 3.240 3.240 2.760 weight 1.000 spectrum  1 peak  1388 ! spec=13CA, no=1388, id=2545, vol=3.080000e+05
assign (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   24 and name  HB#) 3.240 3.240 2.760 weight 1.000 spectrum  1 peak  1388 ! spec=13CA, no=1388, id=2545, vol=3.080000e+05
assign (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   24 and name  HB#) 3.240 3.240 2.760 weight 1.000 spectrum  1 peak  1388 ! spec=13CA, no=1388, id=2545, vol=3.080000e+05
assign (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   24 and name  HB#) 3.240 3.240 2.760 weight 1.000 spectrum  1 peak  1388 ! spec=13CA, no=1388, id=2545, vol=3.080000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   24 and name  HB#) 3.246 1.317 1.317 weight 1.000 spectrum  1 peak  1389 ! spec=13CA, no=1389, id=2546, vol=3.050000e+05
assign (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   24 and name  HB#) 3.246 1.317 1.317 weight 1.000 spectrum  1 peak  1389 ! spec=13CA, no=1389, id=2546, vol=3.050000e+05
assign (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   24 and name  HB#) 3.246 1.317 1.317 weight 1.000 spectrum  1 peak  1389 ! spec=13CA, no=1389, id=2546, vol=3.050000e+05
assign (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   24 and name  HB#) 3.246 1.317 1.317 weight 1.000 spectrum  1 peak  1389 ! spec=13CA, no=1389, id=2546, vol=3.050000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid   22 and name   HA) 3.626 1.643 1.643 weight 1.000 spectrum  1 peak  1399 ! spec=13CA, no=1399, id=2554, vol=1.570000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid   22 and name   HA) 3.626 1.643 1.643 weight 1.000 spectrum  1 peak  1399 ! spec=13CA, no=1399, id=2554, vol=1.570000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid   22 and name   HA) 3.626 1.643 1.643 weight 1.000 spectrum  1 peak  1399 ! spec=13CA, no=1399, id=2554, vol=1.570000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid   22 and name   HA) 3.626 1.643 1.643 weight 1.000 spectrum  1 peak  1399 ! spec=13CA, no=1399, id=2554, vol=1.570000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   A" and resid   22 and name   HA) 3.547 1.573 1.573 weight 1.000 spectrum  1 peak  1401 ! spec=13CA, no=1401, id=2556, vol=1.790000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   B" and resid   22 and name   HA) 3.547 1.573 1.573 weight 1.000 spectrum  1 peak  1401 ! spec=13CA, no=1401, id=2556, vol=1.790000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   C" and resid   22 and name   HA) 3.547 1.573 1.573 weight 1.000 spectrum  1 peak  1401 ! spec=13CA, no=1401, id=2556, vol=1.790000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   D" and resid   22 and name   HA) 3.547 1.573 1.573 weight 1.000 spectrum  1 peak  1401 ! spec=13CA, no=1401, id=2556, vol=1.790000e+05
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   40 and name   HA) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1410 ! spec=13CA, no=1410, id=2563, vol=1.590000e+05
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   40 and name   HA) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1410 ! spec=13CA, no=1410, id=2563, vol=1.590000e+05
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   40 and name   HA) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1410 ! spec=13CA, no=1410, id=2563, vol=1.590000e+05
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   40 and name   HA) 3.618 1.636 1.636 weight 1.000 spectrum  1 peak  1410 ! spec=13CA, no=1410, id=2563, vol=1.590000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   40 and name  HD#) 2.738 0.937 1.232 weight 1.000 spectrum  1 peak  1413 ! spec=13CA, no=1413, id=2566, vol=8.470000e+05
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   40 and name  HD#) 2.738 0.937 1.232 weight 1.000 spectrum  1 peak  1413 ! spec=13CA, no=1413, id=2566, vol=8.470000e+05
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   40 and name  HD#) 2.738 0.937 1.232 weight 1.000 spectrum  1 peak  1413 ! spec=13CA, no=1413, id=2566, vol=8.470000e+05
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   40 and name  HD#) 2.738 0.937 1.232 weight 1.000 spectrum  1 peak  1413 ! spec=13CA, no=1413, id=2566, vol=8.470000e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   40 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak  1421 ! spec=13CA, no=1421, id=2570, vol=3.730000e+05
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   40 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak  1421 ! spec=13CA, no=1421, id=2570, vol=3.730000e+05
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   40 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak  1421 ! spec=13CA, no=1421, id=2570, vol=3.730000e+05
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   40 and name   HA) 3.139 3.139 2.861 weight 1.000 spectrum  1 peak  1421 ! spec=13CA, no=1421, id=2570, vol=3.730000e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   34 and name  HD#) 2.938 1.079 1.079 weight 1.000 spectrum  1 peak  1423 ! spec=13CA, no=1423, id=2571, vol=5.540000e+05
assign (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   34 and name  HD#) 2.938 1.079 1.079 weight 1.000 spectrum  1 peak  1423 ! spec=13CA, no=1423, id=2571, vol=5.540000e+05
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   34 and name  HD#) 2.938 1.079 1.079 weight 1.000 spectrum  1 peak  1423 ! spec=13CA, no=1423, id=2571, vol=5.540000e+05
assign (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   34 and name  HD#) 2.938 1.079 1.079 weight 1.000 spectrum  1 peak  1423 ! spec=13CA, no=1423, id=2571, vol=5.540000e+05
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.825 0.998 0.998 weight 1.000 spectrum  1 peak  1431 ! spec=13CA, no=1431, id=2575, vol=7.010000e+05
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.825 0.998 0.998 weight 1.000 spectrum  1 peak  1431 ! spec=13CA, no=1431, id=2575, vol=7.010000e+05
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.825 0.998 0.998 weight 1.000 spectrum  1 peak  1431 ! spec=13CA, no=1431, id=2575, vol=7.010000e+05
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.825 0.998 0.998 weight 1.000 spectrum  1 peak  1431 ! spec=13CA, no=1431, id=2575, vol=7.010000e+05
assign (segid "   A" and resid   10 and name  HD#) (segid "   A" and resid   11 and name  HA#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak  1440 ! spec=13CA, no=1440, id=2583, vol=6.650000e+05
assign (segid "   B" and resid   10 and name  HD#) (segid "   B" and resid   11 and name  HA#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak  1440 ! spec=13CA, no=1440, id=2583, vol=6.650000e+05
assign (segid "   C" and resid   10 and name  HD#) (segid "   C" and resid   11 and name  HA#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak  1440 ! spec=13CA, no=1440, id=2583, vol=6.650000e+05
assign (segid "   D" and resid   10 and name  HD#) (segid "   D" and resid   11 and name  HA#) 2.850 1.016 1.016 weight 1.000 spectrum  1 peak  1440 ! spec=13CA, no=1440, id=2583, vol=6.650000e+05
assign (segid "   A" and resid    3 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.013 3.013 2.987 weight 1.000 spectrum  1 peak  1442 ! spec=13CA, no=1442, id=2585, vol=4.770000e+05
assign (segid "   B" and resid    3 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.013 3.013 2.987 weight 1.000 spectrum  1 peak  1442 ! spec=13CA, no=1442, id=2585, vol=4.770000e+05
assign (segid "   C" and resid    3 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.013 3.013 2.987 weight 1.000 spectrum  1 peak  1442 ! spec=13CA, no=1442, id=2585, vol=4.770000e+05
assign (segid "   D" and resid    3 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.013 3.013 2.987 weight 1.000 spectrum  1 peak  1442 ! spec=13CA, no=1442, id=2585, vol=4.770000e+05
assign (segid "   A" and resid    2 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.603 1.623 1.623 weight 1.000 spectrum  1 peak  1445 ! spec=13CA, no=1445, id=2588, vol=1.630000e+05
assign (segid "   B" and resid    2 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.603 1.623 1.623 weight 1.000 spectrum  1 peak  1445 ! spec=13CA, no=1445, id=2588, vol=1.630000e+05
assign (segid "   C" and resid    2 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.603 1.623 1.623 weight 1.000 spectrum  1 peak  1445 ! spec=13CA, no=1445, id=2588, vol=1.630000e+05
assign (segid "   D" and resid    2 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.603 1.623 1.623 weight 1.000 spectrum  1 peak  1445 ! spec=13CA, no=1445, id=2588, vol=1.630000e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   11 and name  HA#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak  1456 ! spec=13CA, no=1456, id=2594, vol=2.070000e+05
assign (segid "   B" and resid   10 and name   HA) (segid "   B" and resid   11 and name  HA#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak  1456 ! spec=13CA, no=1456, id=2594, vol=2.070000e+05
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   11 and name  HA#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak  1456 ! spec=13CA, no=1456, id=2594, vol=2.070000e+05
assign (segid "   D" and resid   10 and name   HA) (segid "   D" and resid   11 and name  HA#) 3.462 1.498 1.498 weight 1.000 spectrum  1 peak  1456 ! spec=13CA, no=1456, id=2594, vol=2.070000e+05
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   24 and name  HB#) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1466 ! spec=13CA, no=1466, id=2598, vol=1.420000e+06
assign (segid "   B" and resid   21 and name   HA) (segid "   B" and resid   24 and name  HB#) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1466 ! spec=13CA, no=1466, id=2598, vol=1.420000e+06
assign (segid "   C" and resid   21 and name   HA) (segid "   C" and resid   24 and name  HB#) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1466 ! spec=13CA, no=1466, id=2598, vol=1.420000e+06
assign (segid "   D" and resid   21 and name   HA) (segid "   D" and resid   24 and name  HB#) 2.512 0.789 0.789 weight 1.000 spectrum  1 peak  1466 ! spec=13CA, no=1466, id=2598, vol=1.420000e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   B" and resid   11 and name  HA#) 2.947 1.086 1.086 weight 1.000 spectrum  1 peak  1467 ! spec=13CA, no=1467, id=2599, vol=5.440000e+05
assign (segid "   B" and resid    3 and name   HA) (segid "   A" and resid   11 and name  HA#) 2.947 1.086 1.086 weight 1.000 spectrum  1 peak  1467 ! spec=13CA, no=1467, id=2599, vol=5.440000e+05
assign (segid "   C" and resid    3 and name   HA) (segid "   D" and resid   11 and name  HA#) 2.947 1.086 1.086 weight 1.000 spectrum  1 peak  1467 ! spec=13CA, no=1467, id=2599, vol=5.440000e+05
assign (segid "   D" and resid    3 and name   HA) (segid "   C" and resid   11 and name  HA#) 2.947 1.086 1.086 weight 1.000 spectrum  1 peak  1467 ! spec=13CA, no=1467, id=2599, vol=5.440000e+05
assign (segid "   A" and resid   28 and name  HG#) (segid "   A" and resid   28 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  1 peak  1487 ! spec=13CA, no=1487, id=2616, vol=9.970000e+05
assign (segid "   B" and resid   28 and name  HG#) (segid "   B" and resid   28 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  1 peak  1487 ! spec=13CA, no=1487, id=2616, vol=9.970000e+05
assign (segid "   C" and resid   28 and name  HG#) (segid "   C" and resid   28 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  1 peak  1487 ! spec=13CA, no=1487, id=2616, vol=9.970000e+05
assign (segid "   D" and resid   28 and name  HG#) (segid "   D" and resid   28 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  1 peak  1487 ! spec=13CA, no=1487, id=2616, vol=9.970000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   13 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  1 peak  1491 ! spec=13CA, no=1491, id=2620, vol=5.620000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   13 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  1 peak  1491 ! spec=13CA, no=1491, id=2620, vol=5.620000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   13 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  1 peak  1491 ! spec=13CA, no=1491, id=2620, vol=5.620000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   13 and name   HA) 2.931 2.931 3.069 weight 1.000 spectrum  1 peak  1491 ! spec=13CA, no=1491, id=2620, vol=5.620000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   13 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  1 peak  1492 ! spec=13CA, no=1492, id=2621, vol=5.420000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   13 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  1 peak  1492 ! spec=13CA, no=1492, id=2621, vol=5.420000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   13 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  1 peak  1492 ! spec=13CA, no=1492, id=2621, vol=5.420000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   13 and name   HA) 2.949 1.087 1.087 weight 1.000 spectrum  1 peak  1492 ! spec=13CA, no=1492, id=2621, vol=5.420000e+05
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  1 peak  1495 ! spec=13CA, no=1495, id=2624, vol=1.730000e+06
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  1 peak  1495 ! spec=13CA, no=1495, id=2624, vol=1.730000e+06
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  1 peak  1495 ! spec=13CA, no=1495, id=2624, vol=1.730000e+06
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA) 2.430 0.738 0.738 weight 1.000 spectrum  1 peak  1495 ! spec=13CA, no=1495, id=2624, vol=1.730000e+06
assign (segid "   A" and resid   46 and name   HA) (segid "   A" and resid   43 and name   HA) 2.780 2.780 3.701 weight 1.000 spectrum  1 peak  1508 ! spec=13CA, no=1508, id=2632, vol=7.730000e+05
assign (segid "   B" and resid   46 and name   HA) (segid "   B" and resid   43 and name   HA) 2.780 2.780 3.701 weight 1.000 spectrum  1 peak  1508 ! spec=13CA, no=1508, id=2632, vol=7.730000e+05
assign (segid "   C" and resid   46 and name   HA) (segid "   C" and resid   43 and name   HA) 2.780 2.780 3.701 weight 1.000 spectrum  1 peak  1508 ! spec=13CA, no=1508, id=2632, vol=7.730000e+05
assign (segid "   D" and resid   46 and name   HA) (segid "   D" and resid   43 and name   HA) 2.780 2.780 3.701 weight 1.000 spectrum  1 peak  1508 ! spec=13CA, no=1508, id=2632, vol=7.730000e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   12 and name  HD#) 2.921 2.921 3.189 weight 1.000 spectrum  1 peak  1524 ! spec=13CA, no=1524, id=2636, vol=5.740000e+05
assign (segid "   B" and resid   13 and name   HA) (segid "   B" and resid   12 and name  HD#) 2.921 2.921 3.189 weight 1.000 spectrum  1 peak  1524 ! spec=13CA, no=1524, id=2636, vol=5.740000e+05
assign (segid "   C" and resid   13 and name   HA) (segid "   C" and resid   12 and name  HD#) 2.921 2.921 3.189 weight 1.000 spectrum  1 peak  1524 ! spec=13CA, no=1524, id=2636, vol=5.740000e+05
assign (segid "   D" and resid   13 and name   HA) (segid "   D" and resid   12 and name  HD#) 2.921 2.921 3.189 weight 1.000 spectrum  1 peak  1524 ! spec=13CA, no=1524, id=2636, vol=5.740000e+05
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   13 and name   HA) 2.129 0.567 0.567 weight 1.000 spectrum  1 peak  1526 ! spec=13CA, no=1526, id=2638, vol=3.830000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   13 and name   HA) 2.129 0.567 0.567 weight 1.000 spectrum  1 peak  1526 ! spec=13CA, no=1526, id=2638, vol=3.830000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   13 and name   HA) 2.129 0.567 0.567 weight 1.000 spectrum  1 peak  1526 ! spec=13CA, no=1526, id=2638, vol=3.830000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   13 and name   HA) 2.129 0.567 0.567 weight 1.000 spectrum  1 peak  1526 ! spec=13CA, no=1526, id=2638, vol=3.830000e+06
assign (segid "   A" and resid   38 and name   HA) (segid "   A" and resid   38 and name  HB#) 2.085 0.543 0.543 weight 1.000 spectrum  1 peak  1530 ! spec=13CA, no=1530, id=2639, vol=4.340000e+06
assign (segid "   B" and resid   38 and name   HA) (segid "   B" and resid   38 and name  HB#) 2.085 0.543 0.543 weight 1.000 spectrum  1 peak  1530 ! spec=13CA, no=1530, id=2639, vol=4.340000e+06
assign (segid "   C" and resid   38 and name   HA) (segid "   C" and resid   38 and name  HB#) 2.085 0.543 0.543 weight 1.000 spectrum  1 peak  1530 ! spec=13CA, no=1530, id=2639, vol=4.340000e+06
assign (segid "   D" and resid   38 and name   HA) (segid "   D" and resid   38 and name  HB#) 2.085 0.543 0.543 weight 1.000 spectrum  1 peak  1530 ! spec=13CA, no=1530, id=2639, vol=4.340000e+06
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  1 peak  1547 ! spec=13CA, no=1547, id=2645, vol=4.110000e+05
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  1 peak  1547 ! spec=13CA, no=1547, id=2645, vol=4.110000e+05
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  1 peak  1547 ! spec=13CA, no=1547, id=2645, vol=4.110000e+05
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  1 peak  1547 ! spec=13CA, no=1547, id=2645, vol=4.110000e+05
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   42 and name   HA) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak  1548 ! spec=13CA, no=1548, id=2646, vol=3.250000e+05
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   42 and name   HA) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak  1548 ! spec=13CA, no=1548, id=2646, vol=3.250000e+05
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   42 and name   HA) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak  1548 ! spec=13CA, no=1548, id=2646, vol=3.250000e+05
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   42 and name   HA) 3.212 1.289 1.289 weight 1.000 spectrum  1 peak  1548 ! spec=13CA, no=1548, id=2646, vol=3.250000e+05
assign (segid "   A" and resid   20 and name   HA) (segid "   A" and resid   20 and name  HE#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak  1549 ! spec=13CA, no=1549, id=2647, vol=4.930000e+05
assign (segid "   B" and resid   20 and name   HA) (segid "   B" and resid   20 and name  HE#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak  1549 ! spec=13CA, no=1549, id=2647, vol=4.930000e+05
assign (segid "   C" and resid   20 and name   HA) (segid "   C" and resid   20 and name  HE#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak  1549 ! spec=13CA, no=1549, id=2647, vol=4.930000e+05
assign (segid "   D" and resid   20 and name   HA) (segid "   D" and resid   20 and name  HE#) 2.996 2.996 3.004 weight 1.000 spectrum  1 peak  1549 ! spec=13CA, no=1549, id=2647, vol=4.930000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name   HA) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  1553 ! spec=13CA, no=1553, id=2651, vol=2.300000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name   HA) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  1553 ! spec=13CA, no=1553, id=2651, vol=2.300000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name   HA) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  1553 ! spec=13CA, no=1553, id=2651, vol=2.300000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name   HA) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  1553 ! spec=13CA, no=1553, id=2651, vol=2.300000e+05
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name   HA) 2.219 0.615 0.615 weight 1.000 spectrum  1 peak  1555 ! spec=13CA, no=1555, id=2653, vol=2.990000e+06
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name   HA) 2.219 0.615 0.615 weight 1.000 spectrum  1 peak  1555 ! spec=13CA, no=1555, id=2653, vol=2.990000e+06
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name   HA) 2.219 0.615 0.615 weight 1.000 spectrum  1 peak  1555 ! spec=13CA, no=1555, id=2653, vol=2.990000e+06
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name   HA) 2.219 0.615 0.615 weight 1.000 spectrum  1 peak  1555 ! spec=13CA, no=1555, id=2653, vol=2.990000e+06
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  1 peak  1556 ! spec=13CA, no=1556, id=2654, vol=3.510000e+06
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  1 peak  1556 ! spec=13CA, no=1556, id=2654, vol=3.510000e+06
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  1 peak  1556 ! spec=13CA, no=1556, id=2654, vol=3.510000e+06
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name   HA) 2.160 0.583 0.583 weight 1.000 spectrum  1 peak  1556 ! spec=13CA, no=1556, id=2654, vol=3.510000e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HA#) 4.042 2.042 2.042 weight 1.000 spectrum  1 peak  1577 ! spec=13CA, no=1577, id=2668, vol=8.180000e+04
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   11 and name  HA#) 4.042 2.042 2.042 weight 1.000 spectrum  1 peak  1577 ! spec=13CA, no=1577, id=2668, vol=8.180000e+04
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   11 and name  HA#) 4.042 2.042 2.042 weight 1.000 spectrum  1 peak  1577 ! spec=13CA, no=1577, id=2668, vol=8.180000e+04
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   11 and name  HA#) 4.042 2.042 2.042 weight 1.000 spectrum  1 peak  1577 ! spec=13CA, no=1577, id=2668, vol=8.180000e+04
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   11 and name  HA#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak  1579 ! spec=13CA, no=1579, id=2670, vol=1.410000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   11 and name  HA#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak  1579 ! spec=13CA, no=1579, id=2670, vol=1.410000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   11 and name  HA#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak  1579 ! spec=13CA, no=1579, id=2670, vol=1.410000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   11 and name  HA#) 3.691 1.703 1.703 weight 1.000 spectrum  1 peak  1579 ! spec=13CA, no=1579, id=2670, vol=1.410000e+05
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name   HA) 2.359 0.696 0.936 weight 1.000 spectrum  1 peak  1588 ! spec=13CA, no=1588, id=2677, vol=2.070000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name   HA) 2.359 0.696 0.936 weight 1.000 spectrum  1 peak  1588 ! spec=13CA, no=1588, id=2677, vol=2.070000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name   HA) 2.359 0.696 0.936 weight 1.000 spectrum  1 peak  1588 ! spec=13CA, no=1588, id=2677, vol=2.070000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name   HA) 2.359 0.696 0.936 weight 1.000 spectrum  1 peak  1588 ! spec=13CA, no=1588, id=2677, vol=2.070000e+06
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name   HA) 2.421 2.421 3.579 weight 1.000 spectrum  1 peak  1589 ! spec=13CA, no=1589, id=2678, vol=1.770000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name   HA) 2.421 2.421 3.579 weight 1.000 spectrum  1 peak  1589 ! spec=13CA, no=1589, id=2678, vol=1.770000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name   HA) 2.421 2.421 3.579 weight 1.000 spectrum  1 peak  1589 ! spec=13CA, no=1589, id=2678, vol=1.770000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name   HA) 2.421 2.421 3.579 weight 1.000 spectrum  1 peak  1589 ! spec=13CA, no=1589, id=2678, vol=1.770000e+06
assign (segid "   A" and resid   28 and name  HG#) (segid "   C" and resid   24 and name   HA) 2.951 1.089 1.089 weight 1.000 spectrum  1 peak  1595 ! spec=13CA, no=1595, id=2682, vol=5.400000e+05
assign (segid "   B" and resid   28 and name  HG#) (segid "   D" and resid   24 and name   HA) 2.951 1.089 1.089 weight 1.000 spectrum  1 peak  1595 ! spec=13CA, no=1595, id=2682, vol=5.400000e+05
assign (segid "   C" and resid   28 and name  HG#) (segid "   A" and resid   24 and name   HA) 2.951 1.089 1.089 weight 1.000 spectrum  1 peak  1595 ! spec=13CA, no=1595, id=2682, vol=5.400000e+05
assign (segid "   D" and resid   28 and name  HG#) (segid "   B" and resid   24 and name   HA) 2.951 1.089 1.089 weight 1.000 spectrum  1 peak  1595 ! spec=13CA, no=1595, id=2682, vol=5.400000e+05
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   32 and name  HD#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1618 ! spec=13CA, no=1618, id=2698, vol=1.070000e+05
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   32 and name  HD#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1618 ! spec=13CA, no=1618, id=2698, vol=1.070000e+05
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   32 and name  HD#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1618 ! spec=13CA, no=1618, id=2698, vol=1.070000e+05
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   32 and name  HD#) 3.865 1.867 1.867 weight 1.000 spectrum  1 peak  1618 ! spec=13CA, no=1618, id=2698, vol=1.070000e+05
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   32 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak  1632 ! spec=13CA, no=1632, id=2706, vol=1.120000e+05
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   32 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak  1632 ! spec=13CA, no=1632, id=2706, vol=1.120000e+05
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   32 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak  1632 ! spec=13CA, no=1632, id=2706, vol=1.120000e+05
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   32 and name  HD#) 3.836 1.839 1.839 weight 1.000 spectrum  1 peak  1632 ! spec=13CA, no=1632, id=2706, vol=1.120000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   44 and name   HA) 3.571 1.594 1.594 weight 1.000 spectrum  1 peak  1635 ! spec=13CA, no=1635, id=2709, vol=1.720000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   44 and name   HA) 3.571 1.594 1.594 weight 1.000 spectrum  1 peak  1635 ! spec=13CA, no=1635, id=2709, vol=1.720000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   44 and name   HA) 3.571 1.594 1.594 weight 1.000 spectrum  1 peak  1635 ! spec=13CA, no=1635, id=2709, vol=1.720000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   44 and name   HA) 3.571 1.594 1.594 weight 1.000 spectrum  1 peak  1635 ! spec=13CA, no=1635, id=2709, vol=1.720000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    5 and name   HA) 3.912 1.913 2.090 weight 1.000 spectrum  1 peak  1638 ! spec=13CA, no=1638, id=2711, vol=9.950000e+04
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    5 and name   HA) 3.912 1.913 2.090 weight 1.000 spectrum  1 peak  1638 ! spec=13CA, no=1638, id=2711, vol=9.950000e+04
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    5 and name   HA) 3.912 1.913 2.090 weight 1.000 spectrum  1 peak  1638 ! spec=13CA, no=1638, id=2711, vol=9.950000e+04
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    5 and name   HA) 3.912 1.913 2.090 weight 1.000 spectrum  1 peak  1638 ! spec=13CA, no=1638, id=2711, vol=9.950000e+04
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name   HA) 3.093 1.196 1.196 weight 1.000 spectrum  1 peak  1650 ! spec=13CA, no=1650, id=2718, vol=4.070000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    5 and name   HA) 3.093 1.196 1.196 weight 1.000 spectrum  1 peak  1650 ! spec=13CA, no=1650, id=2718, vol=4.070000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    5 and name   HA) 3.093 1.196 1.196 weight 1.000 spectrum  1 peak  1650 ! spec=13CA, no=1650, id=2718, vol=4.070000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    5 and name   HA) 3.093 1.196 1.196 weight 1.000 spectrum  1 peak  1650 ! spec=13CA, no=1650, id=2718, vol=4.070000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   B" and resid    2 and name   HA) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1654 ! spec=13CA, no=1654, id=2719, vol=9.010000e+04
assign (segid "   B" and resid   12 and name   HA) (segid "   A" and resid    2 and name   HA) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1654 ! spec=13CA, no=1654, id=2719, vol=9.010000e+04
assign (segid "   C" and resid   12 and name   HA) (segid "   D" and resid    2 and name   HA) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1654 ! spec=13CA, no=1654, id=2719, vol=9.010000e+04
assign (segid "   D" and resid   12 and name   HA) (segid "   C" and resid    2 and name   HA) 3.977 1.977 1.977 weight 1.000 spectrum  1 peak  1654 ! spec=13CA, no=1654, id=2719, vol=9.010000e+04
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   21 and name   HA) 3.512 1.542 1.765 weight 1.000 spectrum  1 peak  1655 ! spec=13CA, no=1655, id=2720, vol=1.900000e+05
assign (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   21 and name   HA) 3.512 1.542 1.765 weight 1.000 spectrum  1 peak  1655 ! spec=13CA, no=1655, id=2720, vol=1.900000e+05
assign (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   21 and name   HA) 3.512 1.542 1.765 weight 1.000 spectrum  1 peak  1655 ! spec=13CA, no=1655, id=2720, vol=1.900000e+05
assign (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   21 and name   HA) 3.512 1.542 1.765 weight 1.000 spectrum  1 peak  1655 ! spec=13CA, no=1655, id=2720, vol=1.900000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    5 and name   HA) 3.174 1.259 1.259 weight 1.000 spectrum  1 peak  1658 ! spec=13CA, no=1658, id=2722, vol=3.490000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   B" and resid    5 and name   HA) 3.174 1.259 1.259 weight 1.000 spectrum  1 peak  1658 ! spec=13CA, no=1658, id=2722, vol=3.490000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   C" and resid    5 and name   HA) 3.174 1.259 1.259 weight 1.000 spectrum  1 peak  1658 ! spec=13CA, no=1658, id=2722, vol=3.490000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   D" and resid    5 and name   HA) 3.174 1.259 1.259 weight 1.000 spectrum  1 peak  1658 ! spec=13CA, no=1658, id=2722, vol=3.490000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    5 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1660 ! spec=13CA, no=1660, id=2723, vol=1.890000e+05
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    5 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1660 ! spec=13CA, no=1660, id=2723, vol=1.890000e+05
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    5 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1660 ! spec=13CA, no=1660, id=2723, vol=1.890000e+05
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    5 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  1660 ! spec=13CA, no=1660, id=2723, vol=1.890000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    5 and name   HA) 3.718 1.728 1.728 weight 1.000 spectrum  1 peak  1664 ! spec=13CA, no=1664, id=2724, vol=1.350000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    5 and name   HA) 3.718 1.728 1.728 weight 1.000 spectrum  1 peak  1664 ! spec=13CA, no=1664, id=2724, vol=1.350000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    5 and name   HA) 3.718 1.728 1.728 weight 1.000 spectrum  1 peak  1664 ! spec=13CA, no=1664, id=2724, vol=1.350000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    5 and name   HA) 3.718 1.728 1.728 weight 1.000 spectrum  1 peak  1664 ! spec=13CA, no=1664, id=2724, vol=1.350000e+05
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    2 and name   HA) 2.739 0.938 0.938 weight 1.000 spectrum  1 peak  1676 ! spec=13CA, no=1676, id=2727, vol=8.440000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    2 and name   HA) 2.739 0.938 0.938 weight 1.000 spectrum  1 peak  1676 ! spec=13CA, no=1676, id=2727, vol=8.440000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    2 and name   HA) 2.739 0.938 0.938 weight 1.000 spectrum  1 peak  1676 ! spec=13CA, no=1676, id=2727, vol=8.440000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    2 and name   HA) 2.739 0.938 0.938 weight 1.000 spectrum  1 peak  1676 ! spec=13CA, no=1676, id=2727, vol=8.440000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    5 and name   HA) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1678 ! spec=13CA, no=1678, id=2729, vol=9.060000e+04
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    5 and name   HA) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1678 ! spec=13CA, no=1678, id=2729, vol=9.060000e+04
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    5 and name   HA) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1678 ! spec=13CA, no=1678, id=2729, vol=9.060000e+04
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    5 and name   HA) 3.974 1.974 1.974 weight 1.000 spectrum  1 peak  1678 ! spec=13CA, no=1678, id=2729, vol=9.060000e+04
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   23 and name   HA) 2.883 1.039 1.039 weight 1.000 spectrum  1 peak  1686 ! spec=13CA, no=1686, id=2737, vol=6.210000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   23 and name   HA) 2.883 1.039 1.039 weight 1.000 spectrum  1 peak  1686 ! spec=13CA, no=1686, id=2737, vol=6.210000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   23 and name   HA) 2.883 1.039 1.039 weight 1.000 spectrum  1 peak  1686 ! spec=13CA, no=1686, id=2737, vol=6.210000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   23 and name   HA) 2.883 1.039 1.039 weight 1.000 spectrum  1 peak  1686 ! spec=13CA, no=1686, id=2737, vol=6.210000e+05
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HA) 3.360 3.360 2.640 weight 1.000 spectrum  1 peak  1690 ! spec=13CA, no=1690, id=2739, vol=2.480000e+05
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HA) 3.360 3.360 2.640 weight 1.000 spectrum  1 peak  1690 ! spec=13CA, no=1690, id=2739, vol=2.480000e+05
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HA) 3.360 3.360 2.640 weight 1.000 spectrum  1 peak  1690 ! spec=13CA, no=1690, id=2739, vol=2.480000e+05
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HA) 3.360 3.360 2.640 weight 1.000 spectrum  1 peak  1690 ! spec=13CA, no=1690, id=2739, vol=2.480000e+05
assign (segid "   A" and resid   30 and name   HA) (segid "   A" and resid   29 and name  HG#) 3.321 3.321 2.679 weight 1.000 spectrum  1 peak  1691 ! spec=13CA, no=1691, id=2740, vol=2.660000e+05
assign (segid "   B" and resid   30 and name   HA) (segid "   B" and resid   29 and name  HG#) 3.321 3.321 2.679 weight 1.000 spectrum  1 peak  1691 ! spec=13CA, no=1691, id=2740, vol=2.660000e+05
assign (segid "   C" and resid   30 and name   HA) (segid "   C" and resid   29 and name  HG#) 3.321 3.321 2.679 weight 1.000 spectrum  1 peak  1691 ! spec=13CA, no=1691, id=2740, vol=2.660000e+05
assign (segid "   D" and resid   30 and name   HA) (segid "   D" and resid   29 and name  HG#) 3.321 3.321 2.679 weight 1.000 spectrum  1 peak  1691 ! spec=13CA, no=1691, id=2740, vol=2.660000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   35 and name   HA) 3.687 1.699 1.699 weight 1.000 spectrum  1 peak  1693 ! spec=13CA, no=1693, id=2742, vol=1.420000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   35 and name   HA) 3.687 1.699 1.699 weight 1.000 spectrum  1 peak  1693 ! spec=13CA, no=1693, id=2742, vol=1.420000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   35 and name   HA) 3.687 1.699 1.699 weight 1.000 spectrum  1 peak  1693 ! spec=13CA, no=1693, id=2742, vol=1.420000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   35 and name   HA) 3.687 1.699 1.699 weight 1.000 spectrum  1 peak  1693 ! spec=13CA, no=1693, id=2742, vol=1.420000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   37 and name   HA) 3.422 3.422 2.578 weight 1.000 spectrum  1 peak  1709 ! spec=13CA, no=1709, id=2752, vol=2.220000e+05
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   37 and name   HA) 3.422 3.422 2.578 weight 1.000 spectrum  1 peak  1709 ! spec=13CA, no=1709, id=2752, vol=2.220000e+05
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   37 and name   HA) 3.422 3.422 2.578 weight 1.000 spectrum  1 peak  1709 ! spec=13CA, no=1709, id=2752, vol=2.220000e+05
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   37 and name   HA) 3.422 3.422 2.578 weight 1.000 spectrum  1 peak  1709 ! spec=13CA, no=1709, id=2752, vol=2.220000e+05
assign (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   30 and name   HA) 3.338 1.392 1.501 weight 1.000 spectrum  1 peak  1714 ! spec=13CA, no=1714, id=2754, vol=2.580000e+05
assign (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   30 and name   HA) 3.338 1.392 1.501 weight 1.000 spectrum  1 peak  1714 ! spec=13CA, no=1714, id=2754, vol=2.580000e+05
assign (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   30 and name   HA) 3.338 1.392 1.501 weight 1.000 spectrum  1 peak  1714 ! spec=13CA, no=1714, id=2754, vol=2.580000e+05
assign (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   30 and name   HA) 3.338 1.392 1.501 weight 1.000 spectrum  1 peak  1714 ! spec=13CA, no=1714, id=2754, vol=2.580000e+05
assign (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   30 and name   HA) 3.395 1.441 1.441 weight 1.000 spectrum  1 peak  1715 ! spec=13CA, no=1715, id=2755, vol=2.330000e+05
assign (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   30 and name   HA) 3.395 1.441 1.441 weight 1.000 spectrum  1 peak  1715 ! spec=13CA, no=1715, id=2755, vol=2.330000e+05
assign (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   30 and name   HA) 3.395 1.441 1.441 weight 1.000 spectrum  1 peak  1715 ! spec=13CA, no=1715, id=2755, vol=2.330000e+05
assign (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   30 and name   HA) 3.395 1.441 1.441 weight 1.000 spectrum  1 peak  1715 ! spec=13CA, no=1715, id=2755, vol=2.330000e+05
assign (segid "   A" and resid   47 and name  HB#) (segid "   A" and resid   47 and name   HA) 2.424 0.734 0.734 weight 1.000 spectrum  1 peak  1726 ! spec=13CA, no=1726, id=2764, vol=1.760000e+06
assign (segid "   B" and resid   47 and name  HB#) (segid "   B" and resid   47 and name   HA) 2.424 0.734 0.734 weight 1.000 spectrum  1 peak  1726 ! spec=13CA, no=1726, id=2764, vol=1.760000e+06
assign (segid "   C" and resid   47 and name  HB#) (segid "   C" and resid   47 and name   HA) 2.424 0.734 0.734 weight 1.000 spectrum  1 peak  1726 ! spec=13CA, no=1726, id=2764, vol=1.760000e+06
assign (segid "   D" and resid   47 and name  HB#) (segid "   D" and resid   47 and name   HA) 2.424 0.734 0.734 weight 1.000 spectrum  1 peak  1726 ! spec=13CA, no=1726, id=2764, vol=1.760000e+06
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   14 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  1 peak  1731 ! spec=13CA, no=1731, id=2769, vol=1.750000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   14 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  1 peak  1731 ! spec=13CA, no=1731, id=2769, vol=1.750000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   14 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  1 peak  1731 ! spec=13CA, no=1731, id=2769, vol=1.750000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   14 and name   HA) 3.561 1.585 1.585 weight 1.000 spectrum  1 peak  1731 ! spec=13CA, no=1731, id=2769, vol=1.750000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   13 and name  HG#) 3.016 1.137 1.137 weight 1.000 spectrum  1 peak  1736 ! spec=13CA, no=1736, id=2774, vol=4.740000e+05
assign (segid "   B" and resid   14 and name   HA) (segid "   B" and resid   13 and name  HG#) 3.016 1.137 1.137 weight 1.000 spectrum  1 peak  1736 ! spec=13CA, no=1736, id=2774, vol=4.740000e+05
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   13 and name  HG#) 3.016 1.137 1.137 weight 1.000 spectrum  1 peak  1736 ! spec=13CA, no=1736, id=2774, vol=4.740000e+05
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   13 and name  HG#) 3.016 1.137 1.137 weight 1.000 spectrum  1 peak  1736 ! spec=13CA, no=1736, id=2774, vol=4.740000e+05
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   32 and name   HA) 3.264 3.264 2.736 weight 1.000 spectrum  1 peak  1737 ! spec=13CA, no=1737, id=2775, vol=2.950000e+05
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   32 and name   HA) 3.264 3.264 2.736 weight 1.000 spectrum  1 peak  1737 ! spec=13CA, no=1737, id=2775, vol=2.950000e+05
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   32 and name   HA) 3.264 3.264 2.736 weight 1.000 spectrum  1 peak  1737 ! spec=13CA, no=1737, id=2775, vol=2.950000e+05
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   32 and name   HA) 3.264 3.264 2.736 weight 1.000 spectrum  1 peak  1737 ! spec=13CA, no=1737, id=2775, vol=2.950000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    9 and name   HA) 3.122 3.122 2.878 weight 1.000 spectrum  1 peak  1767 ! spec=13CA, no=1767, id=2789, vol=3.850000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    9 and name   HA) 3.122 3.122 2.878 weight 1.000 spectrum  1 peak  1767 ! spec=13CA, no=1767, id=2789, vol=3.850000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    9 and name   HA) 3.122 3.122 2.878 weight 1.000 spectrum  1 peak  1767 ! spec=13CA, no=1767, id=2789, vol=3.850000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    9 and name   HA) 3.122 3.122 2.878 weight 1.000 spectrum  1 peak  1767 ! spec=13CA, no=1767, id=2789, vol=3.850000e+05
assign (segid "   A" and resid   22 and name   HA) (segid "   B" and resid    9 and name   HA) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  1770 ! spec=13CA, no=1770, id=2790, vol=1.100000e+05
assign (segid "   B" and resid   22 and name   HA) (segid "   A" and resid    9 and name   HA) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  1770 ! spec=13CA, no=1770, id=2790, vol=1.100000e+05
assign (segid "   C" and resid   22 and name   HA) (segid "   D" and resid    9 and name   HA) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  1770 ! spec=13CA, no=1770, id=2790, vol=1.100000e+05
assign (segid "   D" and resid   22 and name   HA) (segid "   C" and resid    9 and name   HA) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  1770 ! spec=13CA, no=1770, id=2790, vol=1.100000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    4 and name   HA) 3.342 1.396 1.396 weight 1.000 spectrum  1 peak  1788 ! spec=13CA, no=1788, id=2802, vol=2.560000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    4 and name   HA) 3.342 1.396 1.396 weight 1.000 spectrum  1 peak  1788 ! spec=13CA, no=1788, id=2802, vol=2.560000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    4 and name   HA) 3.342 1.396 1.396 weight 1.000 spectrum  1 peak  1788 ! spec=13CA, no=1788, id=2802, vol=2.560000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    4 and name   HA) 3.342 1.396 1.396 weight 1.000 spectrum  1 peak  1788 ! spec=13CA, no=1788, id=2802, vol=2.560000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    4 and name   HA) 3.371 1.420 1.420 weight 1.000 spectrum  1 peak  1789 ! spec=13CA, no=1789, id=2803, vol=2.430000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    4 and name   HA) 3.371 1.420 1.420 weight 1.000 spectrum  1 peak  1789 ! spec=13CA, no=1789, id=2803, vol=2.430000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    4 and name   HA) 3.371 1.420 1.420 weight 1.000 spectrum  1 peak  1789 ! spec=13CA, no=1789, id=2803, vol=2.430000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    4 and name   HA) 3.371 1.420 1.420 weight 1.000 spectrum  1 peak  1789 ! spec=13CA, no=1789, id=2803, vol=2.430000e+05
assign (segid "   A" and resid   10 and name  HD#) (segid "   B" and resid    3 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  1 peak  1794 ! spec=13CA, no=1794, id=2808, vol=4.150000e+05
assign (segid "   B" and resid   10 and name  HD#) (segid "   A" and resid    3 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  1 peak  1794 ! spec=13CA, no=1794, id=2808, vol=4.150000e+05
assign (segid "   C" and resid   10 and name  HD#) (segid "   D" and resid    3 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  1 peak  1794 ! spec=13CA, no=1794, id=2808, vol=4.150000e+05
assign (segid "   D" and resid   10 and name  HD#) (segid "   C" and resid    3 and name   HA) 3.083 1.188 1.188 weight 1.000 spectrum  1 peak  1794 ! spec=13CA, no=1794, id=2808, vol=4.150000e+05
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    1 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  1 peak  1795 ! spec=13CA, no=1795, id=2809, vol=3.130000e+06
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    1 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  1 peak  1795 ! spec=13CA, no=1795, id=2809, vol=3.130000e+06
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    1 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  1 peak  1795 ! spec=13CA, no=1795, id=2809, vol=3.130000e+06
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    1 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  1 peak  1795 ! spec=13CA, no=1795, id=2809, vol=3.130000e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HD#) 2.866 1.026 1.026 weight 1.000 spectrum  1 peak  1836 ! spec=13CA, no=1836, id=2824, vol=6.440000e+05
assign (segid "   B" and resid   10 and name   HA) (segid "   B" and resid   10 and name  HD#) 2.866 1.026 1.026 weight 1.000 spectrum  1 peak  1836 ! spec=13CA, no=1836, id=2824, vol=6.440000e+05
assign (segid "   C" and resid   10 and name   HA) (segid "   C" and resid   10 and name  HD#) 2.866 1.026 1.026 weight 1.000 spectrum  1 peak  1836 ! spec=13CA, no=1836, id=2824, vol=6.440000e+05
assign (segid "   D" and resid   10 and name   HA) (segid "   D" and resid   10 and name  HD#) 2.866 1.026 1.026 weight 1.000 spectrum  1 peak  1836 ! spec=13CA, no=1836, id=2824, vol=6.440000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid   10 and name   HA) 2.985 2.985 3.015 weight 1.000 spectrum  1 peak  1839 ! spec=13CA, no=1839, id=2825, vol=5.040000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid   10 and name   HA) 2.985 2.985 3.015 weight 1.000 spectrum  1 peak  1839 ! spec=13CA, no=1839, id=2825, vol=5.040000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid   10 and name   HA) 2.985 2.985 3.015 weight 1.000 spectrum  1 peak  1839 ! spec=13CA, no=1839, id=2825, vol=5.040000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid   10 and name   HA) 2.985 2.985 3.015 weight 1.000 spectrum  1 peak  1839 ! spec=13CA, no=1839, id=2825, vol=5.040000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   B" and resid   10 and name   HA) 2.141 0.573 0.573 weight 1.000 spectrum  1 peak  1840 ! spec=13CA, no=1840, id=2826, vol=3.700000e+06
assign (segid "   B" and resid    4 and name   HA) (segid "   A" and resid   10 and name   HA) 2.141 0.573 0.573 weight 1.000 spectrum  1 peak  1840 ! spec=13CA, no=1840, id=2826, vol=3.700000e+06
assign (segid "   C" and resid    4 and name   HA) (segid "   D" and resid   10 and name   HA) 2.141 0.573 0.573 weight 1.000 spectrum  1 peak  1840 ! spec=13CA, no=1840, id=2826, vol=3.700000e+06
assign (segid "   D" and resid    4 and name   HA) (segid "   C" and resid   10 and name   HA) 2.141 0.573 0.573 weight 1.000 spectrum  1 peak  1840 ! spec=13CA, no=1840, id=2826, vol=3.700000e+06
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    7 and name   HA) 3.199 1.279 1.279 weight 1.000 spectrum  1 peak  1858 ! spec=13CA, no=1858, id=2836, vol=3.330000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    7 and name   HA) 3.199 1.279 1.279 weight 1.000 spectrum  1 peak  1858 ! spec=13CA, no=1858, id=2836, vol=3.330000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    7 and name   HA) 3.199 1.279 1.279 weight 1.000 spectrum  1 peak  1858 ! spec=13CA, no=1858, id=2836, vol=3.330000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    7 and name   HA) 3.199 1.279 1.279 weight 1.000 spectrum  1 peak  1858 ! spec=13CA, no=1858, id=2836, vol=3.330000e+05
assign (segid "   A" and resid    3 and name  HB#) (segid "   B" and resid   10 and name   HA) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1862 ! spec=13CA, no=1862, id=2840, vol=1.450000e+05
assign (segid "   B" and resid    3 and name  HB#) (segid "   A" and resid   10 and name   HA) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1862 ! spec=13CA, no=1862, id=2840, vol=1.450000e+05
assign (segid "   C" and resid    3 and name  HB#) (segid "   D" and resid   10 and name   HA) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1862 ! spec=13CA, no=1862, id=2840, vol=1.450000e+05
assign (segid "   D" and resid    3 and name  HB#) (segid "   C" and resid   10 and name   HA) 3.674 1.687 1.687 weight 1.000 spectrum  1 peak  1862 ! spec=13CA, no=1862, id=2840, vol=1.450000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   B" and resid    8 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1868 ! spec=13CA, no=1868, id=2846, vol=2.360000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   A" and resid    8 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1868 ! spec=13CA, no=1868, id=2846, vol=2.360000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   D" and resid    8 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1868 ! spec=13CA, no=1868, id=2846, vol=2.360000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   C" and resid    8 and name   HA) 3.388 3.388 2.612 weight 1.000 spectrum  1 peak  1868 ! spec=13CA, no=1868, id=2846, vol=2.360000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name   HA) 3.661 1.676 1.676 weight 1.000 spectrum  1 peak  1875 ! spec=13CA, no=1875, id=2849, vol=1.480000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name   HA) 3.661 1.676 1.676 weight 1.000 spectrum  1 peak  1875 ! spec=13CA, no=1875, id=2849, vol=1.480000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name   HA) 3.661 1.676 1.676 weight 1.000 spectrum  1 peak  1875 ! spec=13CA, no=1875, id=2849, vol=1.480000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name   HA) 3.661 1.676 1.676 weight 1.000 spectrum  1 peak  1875 ! spec=13CA, no=1875, id=2849, vol=1.480000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    6 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak  1909 ! spec=13CA, no=1909, id=2860, vol=3.040000e+06
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    6 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak  1909 ! spec=13CA, no=1909, id=2860, vol=3.040000e+06
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    6 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak  1909 ! spec=13CA, no=1909, id=2860, vol=3.040000e+06
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    6 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  1 peak  1909 ! spec=13CA, no=1909, id=2860, vol=3.040000e+06
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.443 1.482 1.482 weight 1.000 spectrum  1 peak  1917 ! spec=13CA, no=1917, id=2867, vol=2.140000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.443 1.482 1.482 weight 1.000 spectrum  1 peak  1917 ! spec=13CA, no=1917, id=2867, vol=2.140000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.443 1.482 1.482 weight 1.000 spectrum  1 peak  1917 ! spec=13CA, no=1917, id=2867, vol=2.140000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.443 1.482 1.482 weight 1.000 spectrum  1 peak  1917 ! spec=13CA, no=1917, id=2867, vol=2.140000e+05
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    5 and name  HE#) 2.455 2.455 3.545 weight 1.000 spectrum  1 peak  1960 ! spec=13CA, no=1960, id=2868, vol=1.630000e+06
assign (segid "   B" and resid    3 and name   HA) (segid "   B" and resid    5 and name  HE#) 2.455 2.455 3.545 weight 1.000 spectrum  1 peak  1960 ! spec=13CA, no=1960, id=2868, vol=1.630000e+06
assign (segid "   C" and resid    3 and name   HA) (segid "   C" and resid    5 and name  HE#) 2.455 2.455 3.545 weight 1.000 spectrum  1 peak  1960 ! spec=13CA, no=1960, id=2868, vol=1.630000e+06
assign (segid "   D" and resid    3 and name   HA) (segid "   D" and resid    5 and name  HE#) 2.455 2.455 3.545 weight 1.000 spectrum  1 peak  1960 ! spec=13CA, no=1960, id=2868, vol=1.630000e+06
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    5 and name  HE#) 4.055 2.055 2.055 weight 1.000 spectrum  1 peak  1963 ! spec=13CA, no=1963, id=2870, vol=8.020000e+04
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    5 and name  HE#) 4.055 2.055 2.055 weight 1.000 spectrum  1 peak  1963 ! spec=13CA, no=1963, id=2870, vol=8.020000e+04
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    5 and name  HE#) 4.055 2.055 2.055 weight 1.000 spectrum  1 peak  1963 ! spec=13CA, no=1963, id=2870, vol=8.020000e+04
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    5 and name  HE#) 4.055 2.055 2.055 weight 1.000 spectrum  1 peak  1963 ! spec=13CA, no=1963, id=2870, vol=8.020000e+04
assign (segid "   A" and resid   11 and name  HA#) (segid "   B" and resid    5 and name  HE#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak  1969 ! spec=13CA, no=1969, id=2875, vol=2.500000e+05
assign (segid "   B" and resid   11 and name  HA#) (segid "   A" and resid    5 and name  HE#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak  1969 ! spec=13CA, no=1969, id=2875, vol=2.500000e+05
assign (segid "   C" and resid   11 and name  HA#) (segid "   D" and resid    5 and name  HE#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak  1969 ! spec=13CA, no=1969, id=2875, vol=2.500000e+05
assign (segid "   D" and resid   11 and name  HA#) (segid "   C" and resid    5 and name  HE#) 3.355 1.407 1.407 weight 1.000 spectrum  1 peak  1969 ! spec=13CA, no=1969, id=2875, vol=2.500000e+05
assign (segid "   A" and resid   12 and name  HD#) (segid "   B" and resid    5 and name  HE#) 2.773 0.961 0.961 weight 1.000 spectrum  1 peak  1972 ! spec=13CA, no=1972, id=2878, vol=7.850000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   A" and resid    5 and name  HE#) 2.773 0.961 0.961 weight 1.000 spectrum  1 peak  1972 ! spec=13CA, no=1972, id=2878, vol=7.850000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   D" and resid    5 and name  HE#) 2.773 0.961 0.961 weight 1.000 spectrum  1 peak  1972 ! spec=13CA, no=1972, id=2878, vol=7.850000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   C" and resid    5 and name  HE#) 2.773 0.961 0.961 weight 1.000 spectrum  1 peak  1972 ! spec=13CA, no=1972, id=2878, vol=7.850000e+05
assign (segid "   A" and resid   12 and name   HA) (segid "   B" and resid    5 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak  1973 ! spec=13CA, no=1973, id=2879, vol=1.010000e+06
assign (segid "   B" and resid   12 and name   HA) (segid "   A" and resid    5 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak  1973 ! spec=13CA, no=1973, id=2879, vol=1.010000e+06
assign (segid "   C" and resid   12 and name   HA) (segid "   D" and resid    5 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak  1973 ! spec=13CA, no=1973, id=2879, vol=1.010000e+06
assign (segid "   D" and resid   12 and name   HA) (segid "   C" and resid    5 and name  HE#) 2.659 0.883 0.883 weight 1.000 spectrum  1 peak  1973 ! spec=13CA, no=1973, id=2879, vol=1.010000e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    5 and name  HD#) 2.745 0.942 0.942 weight 1.000 spectrum  1 peak  1977 ! spec=13CA, no=1977, id=2881, vol=8.330000e+05
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    5 and name  HD#) 2.745 0.942 0.942 weight 1.000 spectrum  1 peak  1977 ! spec=13CA, no=1977, id=2881, vol=8.330000e+05
assign (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    5 and name  HD#) 2.745 0.942 0.942 weight 1.000 spectrum  1 peak  1977 ! spec=13CA, no=1977, id=2881, vol=8.330000e+05
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    5 and name  HD#) 2.745 0.942 0.942 weight 1.000 spectrum  1 peak  1977 ! spec=13CA, no=1977, id=2881, vol=8.330000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   B" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1982 ! spec=13CA, no=1982, id=2886, vol=1.230000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   A" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1982 ! spec=13CA, no=1982, id=2886, vol=1.230000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   D" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1982 ! spec=13CA, no=1982, id=2886, vol=1.230000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   C" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1982 ! spec=13CA, no=1982, id=2886, vol=1.230000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   B" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1983 ! spec=13CA, no=1983, id=2887, vol=1.230000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   A" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1983 ! spec=13CA, no=1983, id=2887, vol=1.230000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   D" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1983 ! spec=13CA, no=1983, id=2887, vol=1.230000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   C" and resid    5 and name  HD#) 3.776 1.782 1.782 weight 1.000 spectrum  1 peak  1983 ! spec=13CA, no=1983, id=2887, vol=1.230000e+05
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   15 and name  HD#) 2.763 0.954 0.954 weight 1.000 spectrum  1 peak  1986 ! spec=13CA, no=1986, id=2889, vol=8.010000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   15 and name  HD#) 2.763 0.954 0.954 weight 1.000 spectrum  1 peak  1986 ! spec=13CA, no=1986, id=2889, vol=8.010000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   15 and name  HD#) 2.763 0.954 0.954 weight 1.000 spectrum  1 peak  1986 ! spec=13CA, no=1986, id=2889, vol=8.010000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   15 and name  HD#) 2.763 0.954 0.954 weight 1.000 spectrum  1 peak  1986 ! spec=13CA, no=1986, id=2889, vol=8.010000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HD#) 2.918 2.918 3.082 weight 1.000 spectrum  1 peak  1992 ! spec=13CA, no=1992, id=2895, vol=5.780000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HD#) 2.918 2.918 3.082 weight 1.000 spectrum  1 peak  1992 ! spec=13CA, no=1992, id=2895, vol=5.780000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HD#) 2.918 2.918 3.082 weight 1.000 spectrum  1 peak  1992 ! spec=13CA, no=1992, id=2895, vol=5.780000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HD#) 2.918 2.918 3.082 weight 1.000 spectrum  1 peak  1992 ! spec=13CA, no=1992, id=2895, vol=5.780000e+05
assign (segid "   A" and resid    9 and name   HA) (segid "   A" and resid   15 and name  HD#) 3.896 1.897 1.897 weight 1.000 spectrum  1 peak  1999 ! spec=13CA, no=1999, id=2902, vol=1.020000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   B" and resid   15 and name  HD#) 3.896 1.897 1.897 weight 1.000 spectrum  1 peak  1999 ! spec=13CA, no=1999, id=2902, vol=1.020000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   C" and resid   15 and name  HD#) 3.896 1.897 1.897 weight 1.000 spectrum  1 peak  1999 ! spec=13CA, no=1999, id=2902, vol=1.020000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   D" and resid   15 and name  HD#) 3.896 1.897 1.897 weight 1.000 spectrum  1 peak  1999 ! spec=13CA, no=1999, id=2902, vol=1.020000e+05
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   15 and name  HD#) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  2002 ! spec=13CA, no=2002, id=2905, vol=2.300000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   15 and name  HD#) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  2002 ! spec=13CA, no=2002, id=2905, vol=2.300000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   15 and name  HD#) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  2002 ! spec=13CA, no=2002, id=2905, vol=2.300000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   15 and name  HD#) 3.402 1.447 1.447 weight 1.000 spectrum  1 peak  2002 ! spec=13CA, no=2002, id=2905, vol=2.300000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  2004 ! spec=13CA, no=2004, id=2907, vol=2.920000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  2004 ! spec=13CA, no=2004, id=2907, vol=2.920000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  2004 ! spec=13CA, no=2004, id=2907, vol=2.920000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HE#) 3.269 1.336 1.336 weight 1.000 spectrum  1 peak  2004 ! spec=13CA, no=2004, id=2907, vol=2.920000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name  HD#) 4.007 2.007 2.007 weight 1.000 spectrum  1 peak  2014 ! spec=13CA, no=2014, id=2916, vol=8.620000e+04
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name  HD#) 4.007 2.007 2.007 weight 1.000 spectrum  1 peak  2014 ! spec=13CA, no=2014, id=2916, vol=8.620000e+04
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name  HD#) 4.007 2.007 2.007 weight 1.000 spectrum  1 peak  2014 ! spec=13CA, no=2014, id=2916, vol=8.620000e+04
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name  HD#) 4.007 2.007 2.007 weight 1.000 spectrum  1 peak  2014 ! spec=13CA, no=2014, id=2916, vol=8.620000e+04
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HE#) 3.700 1.711 1.711 weight 1.000 spectrum  1 peak  2022 ! spec=13CA, no=2022, id=2924, vol=1.390000e+05
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HE#) 3.700 1.711 1.711 weight 1.000 spectrum  1 peak  2022 ! spec=13CA, no=2022, id=2924, vol=1.390000e+05
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HE#) 3.700 1.711 1.711 weight 1.000 spectrum  1 peak  2022 ! spec=13CA, no=2022, id=2924, vol=1.390000e+05
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HE#) 3.700 1.711 1.711 weight 1.000 spectrum  1 peak  2022 ! spec=13CA, no=2022, id=2924, vol=1.390000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   C" and resid   39 and name  HE#) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  2023 ! spec=13CA, no=2023, id=2925, vol=1.100000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   D" and resid   39 and name  HE#) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  2023 ! spec=13CA, no=2023, id=2925, vol=1.100000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   A" and resid   39 and name  HE#) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  2023 ! spec=13CA, no=2023, id=2925, vol=1.100000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   B" and resid   39 and name  HE#) 3.847 1.850 1.850 weight 1.000 spectrum  1 peak  2023 ! spec=13CA, no=2023, id=2925, vol=1.100000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   C" and resid   39 and name  HE#) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  2024 ! spec=13CA, no=2024, id=2926, vol=1.210000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   D" and resid   39 and name  HE#) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  2024 ! spec=13CA, no=2024, id=2926, vol=1.210000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   A" and resid   39 and name  HE#) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  2024 ! spec=13CA, no=2024, id=2926, vol=1.210000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   B" and resid   39 and name  HE#) 3.786 1.792 1.792 weight 1.000 spectrum  1 peak  2024 ! spec=13CA, no=2024, id=2926, vol=1.210000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   39 and name  HE#) 3.077 1.184 1.184 weight 1.000 spectrum  1 peak  2028 ! spec=13CA, no=2028, id=2930, vol=4.200000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   39 and name  HE#) 3.077 1.184 1.184 weight 1.000 spectrum  1 peak  2028 ! spec=13CA, no=2028, id=2930, vol=4.200000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   39 and name  HE#) 3.077 1.184 1.184 weight 1.000 spectrum  1 peak  2028 ! spec=13CA, no=2028, id=2930, vol=4.200000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   39 and name  HE#) 3.077 1.184 1.184 weight 1.000 spectrum  1 peak  2028 ! spec=13CA, no=2028, id=2930, vol=4.200000e+05
assign (segid "   A" and resid   26 and name   HA) (segid "   B" and resid   14 and name HD2#) 3.244 1.315 1.315 weight 1.000 spectrum  1 peak  2036 ! spec=13CA, no=2036, id=2938, vol=3.060000e+05
assign (segid "   B" and resid   26 and name   HA) (segid "   A" and resid   14 and name HD2#) 3.244 1.315 1.315 weight 1.000 spectrum  1 peak  2036 ! spec=13CA, no=2036, id=2938, vol=3.060000e+05
assign (segid "   C" and resid   26 and name   HA) (segid "   D" and resid   14 and name HD2#) 3.244 1.315 1.315 weight 1.000 spectrum  1 peak  2036 ! spec=13CA, no=2036, id=2938, vol=3.060000e+05
assign (segid "   D" and resid   26 and name   HA) (segid "   C" and resid   14 and name HD2#) 3.244 1.315 1.315 weight 1.000 spectrum  1 peak  2036 ! spec=13CA, no=2036, id=2938, vol=3.060000e+05
assign (segid "   A" and resid   23 and name   HA) (segid "   C" and resid   39 and name  HE#) 2.703 0.913 0.913 weight 1.000 spectrum  1 peak  2037 ! spec=13CA, no=2037, id=2939, vol=9.150000e+05
assign (segid "   B" and resid   23 and name   HA) (segid "   D" and resid   39 and name  HE#) 2.703 0.913 0.913 weight 1.000 spectrum  1 peak  2037 ! spec=13CA, no=2037, id=2939, vol=9.150000e+05
assign (segid "   C" and resid   23 and name   HA) (segid "   A" and resid   39 and name  HE#) 2.703 0.913 0.913 weight 1.000 spectrum  1 peak  2037 ! spec=13CA, no=2037, id=2939, vol=9.150000e+05
assign (segid "   D" and resid   23 and name   HA) (segid "   B" and resid   39 and name  HE#) 2.703 0.913 0.913 weight 1.000 spectrum  1 peak  2037 ! spec=13CA, no=2037, id=2939, vol=9.150000e+05
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name HE2#) 3.171 1.257 1.257 weight 1.000 spectrum  1 peak  2040 ! spec=13CA, no=2040, id=2942, vol=3.510000e+05
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name HE2#) 3.171 1.257 1.257 weight 1.000 spectrum  1 peak  2040 ! spec=13CA, no=2040, id=2942, vol=3.510000e+05
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name HE2#) 3.171 1.257 1.257 weight 1.000 spectrum  1 peak  2040 ! spec=13CA, no=2040, id=2942, vol=3.510000e+05
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name HE2#) 3.171 1.257 1.257 weight 1.000 spectrum  1 peak  2040 ! spec=13CA, no=2040, id=2942, vol=3.510000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   47 and name HE2#) 3.417 1.460 1.460 weight 1.000 spectrum  1 peak  2041 ! spec=13CA, no=2041, id=2943, vol=2.240000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   47 and name HE2#) 3.417 1.460 1.460 weight 1.000 spectrum  1 peak  2041 ! spec=13CA, no=2041, id=2943, vol=2.240000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   47 and name HE2#) 3.417 1.460 1.460 weight 1.000 spectrum  1 peak  2041 ! spec=13CA, no=2041, id=2943, vol=2.240000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   47 and name HE2#) 3.417 1.460 1.460 weight 1.000 spectrum  1 peak  2041 ! spec=13CA, no=2041, id=2943, vol=2.240000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name HE2#) 3.596 1.616 1.616 weight 1.000 spectrum  1 peak  2049 ! spec=13CA, no=2049, id=2950, vol=1.650000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name HE2#) 3.596 1.616 1.616 weight 1.000 spectrum  1 peak  2049 ! spec=13CA, no=2049, id=2950, vol=1.650000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name HE2#) 3.596 1.616 1.616 weight 1.000 spectrum  1 peak  2049 ! spec=13CA, no=2049, id=2950, vol=1.650000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name HE2#) 3.596 1.616 1.616 weight 1.000 spectrum  1 peak  2049 ! spec=13CA, no=2049, id=2950, vol=1.650000e+05
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HD#) 2.958 1.094 1.094 weight 1.000 spectrum  1 peak  2056 ! spec=13CA, no=2056, id=2956, vol=5.320000e+05
assign (segid "   B" and resid    5 and name   HA) (segid "   B" and resid    6 and name  HD#) 2.958 1.094 1.094 weight 1.000 spectrum  1 peak  2056 ! spec=13CA, no=2056, id=2956, vol=5.320000e+05
assign (segid "   C" and resid    5 and name   HA) (segid "   C" and resid    6 and name  HD#) 2.958 1.094 1.094 weight 1.000 spectrum  1 peak  2056 ! spec=13CA, no=2056, id=2956, vol=5.320000e+05
assign (segid "   D" and resid    5 and name   HA) (segid "   D" and resid    6 and name  HD#) 2.958 1.094 1.094 weight 1.000 spectrum  1 peak  2056 ! spec=13CA, no=2056, id=2956, vol=5.320000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    6 and name  HD#) 2.839 1.008 1.008 weight 1.000 spectrum  1 peak  2058 ! spec=13CA, no=2058, id=2958, vol=6.810000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    6 and name  HD#) 2.839 1.008 1.008 weight 1.000 spectrum  1 peak  2058 ! spec=13CA, no=2058, id=2958, vol=6.810000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    6 and name  HD#) 2.839 1.008 1.008 weight 1.000 spectrum  1 peak  2058 ! spec=13CA, no=2058, id=2958, vol=6.810000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    6 and name  HD#) 2.839 1.008 1.008 weight 1.000 spectrum  1 peak  2058 ! spec=13CA, no=2058, id=2958, vol=6.810000e+05
assign (segid "   A" and resid   39 and name   HA) (segid "   A" and resid   39 and name  HD#) 2.457 0.755 0.755 weight 1.000 spectrum  1 peak  2060 ! spec=13CA, no=2060, id=2960, vol=1.620000e+06
assign (segid "   B" and resid   39 and name   HA) (segid "   B" and resid   39 and name  HD#) 2.457 0.755 0.755 weight 1.000 spectrum  1 peak  2060 ! spec=13CA, no=2060, id=2960, vol=1.620000e+06
assign (segid "   C" and resid   39 and name   HA) (segid "   C" and resid   39 and name  HD#) 2.457 0.755 0.755 weight 1.000 spectrum  1 peak  2060 ! spec=13CA, no=2060, id=2960, vol=1.620000e+06
assign (segid "   D" and resid   39 and name   HA) (segid "   D" and resid   39 and name  HD#) 2.457 0.755 0.755 weight 1.000 spectrum  1 peak  2060 ! spec=13CA, no=2060, id=2960, vol=1.620000e+06
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   39 and name  HD#) 3.946 1.946 1.946 weight 1.000 spectrum  1 peak  2063 ! spec=13CA, no=2063, id=2963, vol=9.450000e+04
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   39 and name  HD#) 3.946 1.946 1.946 weight 1.000 spectrum  1 peak  2063 ! spec=13CA, no=2063, id=2963, vol=9.450000e+04
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   39 and name  HD#) 3.946 1.946 1.946 weight 1.000 spectrum  1 peak  2063 ! spec=13CA, no=2063, id=2963, vol=9.450000e+04
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   39 and name  HD#) 3.946 1.946 1.946 weight 1.000 spectrum  1 peak  2063 ! spec=13CA, no=2063, id=2963, vol=9.450000e+04
assign (segid "   A" and resid   27 and name   HA) (segid "   C" and resid   39 and name  HD#) 4.016 2.016 2.016 weight 1.000 spectrum  1 peak  2064 ! spec=13CA, no=2064, id=2964, vol=8.500000e+04
assign (segid "   B" and resid   27 and name   HA) (segid "   D" and resid   39 and name  HD#) 4.016 2.016 2.016 weight 1.000 spectrum  1 peak  2064 ! spec=13CA, no=2064, id=2964, vol=8.500000e+04
assign (segid "   C" and resid   27 and name   HA) (segid "   A" and resid   39 and name  HD#) 4.016 2.016 2.016 weight 1.000 spectrum  1 peak  2064 ! spec=13CA, no=2064, id=2964, vol=8.500000e+04
assign (segid "   D" and resid   27 and name   HA) (segid "   B" and resid   39 and name  HD#) 4.016 2.016 2.016 weight 1.000 spectrum  1 peak  2064 ! spec=13CA, no=2064, id=2964, vol=8.500000e+04
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   39 and name  HD#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  2071 ! spec=13CA, no=2071, id=2971, vol=9.850000e+04
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   39 and name  HD#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  2071 ! spec=13CA, no=2071, id=2971, vol=9.850000e+04
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   39 and name  HD#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  2071 ! spec=13CA, no=2071, id=2971, vol=9.850000e+04
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   39 and name  HD#) 3.919 1.919 1.919 weight 1.000 spectrum  1 peak  2071 ! spec=13CA, no=2071, id=2971, vol=9.850000e+04
assign (segid "   A" and resid   12 and name  HD#) (segid "   A" and resid   15 and name  HE#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak  2078 ! spec=13CA, no=2078, id=2978, vol=1.960000e+05
assign (segid "   B" and resid   12 and name  HD#) (segid "   B" and resid   15 and name  HE#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak  2078 ! spec=13CA, no=2078, id=2978, vol=1.960000e+05
assign (segid "   C" and resid   12 and name  HD#) (segid "   C" and resid   15 and name  HE#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak  2078 ! spec=13CA, no=2078, id=2978, vol=1.960000e+05
assign (segid "   D" and resid   12 and name  HD#) (segid "   D" and resid   15 and name  HE#) 3.494 1.526 1.526 weight 1.000 spectrum  1 peak  2078 ! spec=13CA, no=2078, id=2978, vol=1.960000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name  HE#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak  2082 ! spec=13CA, no=2082, id=2982, vol=1.180000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name  HE#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak  2082 ! spec=13CA, no=2082, id=2982, vol=1.180000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name  HE#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak  2082 ! spec=13CA, no=2082, id=2982, vol=1.180000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name  HE#) 3.802 1.807 1.807 weight 1.000 spectrum  1 peak  2082 ! spec=13CA, no=2082, id=2982, vol=1.180000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name  HE#) 2.914 1.062 1.062 weight 1.000 spectrum  1 peak  2085 ! spec=13CA, no=2085, id=2985, vol=5.820000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name  HE#) 2.914 1.062 1.062 weight 1.000 spectrum  1 peak  2085 ! spec=13CA, no=2085, id=2985, vol=5.820000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name  HE#) 2.914 1.062 1.062 weight 1.000 spectrum  1 peak  2085 ! spec=13CA, no=2085, id=2985, vol=5.820000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name  HE#) 2.914 1.062 1.062 weight 1.000 spectrum  1 peak  2085 ! spec=13CA, no=2085, id=2985, vol=5.820000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name  HE#) 3.929 1.930 1.930 weight 1.000 spectrum  1 peak  2086 ! spec=13CA, no=2086, id=2986, vol=9.690000e+04
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name  HE#) 3.929 1.930 1.930 weight 1.000 spectrum  1 peak  2086 ! spec=13CA, no=2086, id=2986, vol=9.690000e+04
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name  HE#) 3.929 1.930 1.930 weight 1.000 spectrum  1 peak  2086 ! spec=13CA, no=2086, id=2986, vol=9.690000e+04
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name  HE#) 3.929 1.930 1.930 weight 1.000 spectrum  1 peak  2086 ! spec=13CA, no=2086, id=2986, vol=9.690000e+04
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   15 and name  HE#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2087 ! spec=13CA, no=2087, id=2987, vol=8.950000e+04
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   15 and name  HE#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2087 ! spec=13CA, no=2087, id=2987, vol=8.950000e+04
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   15 and name  HE#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2087 ! spec=13CA, no=2087, id=2987, vol=8.950000e+04
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   15 and name  HE#) 3.982 1.982 1.982 weight 1.000 spectrum  1 peak  2087 ! spec=13CA, no=2087, id=2987, vol=8.950000e+04
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   15 and name  HE#) 2.881 1.037 1.037 weight 1.000 spectrum  1 peak  2094 ! spec=13CA, no=2094, id=2994, vol=6.240000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   15 and name  HE#) 2.881 1.037 1.037 weight 1.000 spectrum  1 peak  2094 ! spec=13CA, no=2094, id=2994, vol=6.240000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   15 and name  HE#) 2.881 1.037 1.037 weight 1.000 spectrum  1 peak  2094 ! spec=13CA, no=2094, id=2994, vol=6.240000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   15 and name  HE#) 2.881 1.037 1.037 weight 1.000 spectrum  1 peak  2094 ! spec=13CA, no=2094, id=2994, vol=6.240000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   B" and resid    8 and name HE2#) 3.926 1.927 2.307 weight 1.000 spectrum  1 peak  2098 ! spec=13CA, no=2098, id=2998, vol=9.740000e+04
assign (segid "   B" and resid   22 and name  HE#) (segid "   A" and resid    8 and name HE2#) 3.926 1.927 2.307 weight 1.000 spectrum  1 peak  2098 ! spec=13CA, no=2098, id=2998, vol=9.740000e+04
assign (segid "   C" and resid   22 and name  HE#) (segid "   D" and resid    8 and name HE2#) 3.926 1.927 2.307 weight 1.000 spectrum  1 peak  2098 ! spec=13CA, no=2098, id=2998, vol=9.740000e+04
assign (segid "   D" and resid   22 and name  HE#) (segid "   C" and resid    8 and name HE2#) 3.926 1.927 2.307 weight 1.000 spectrum  1 peak  2098 ! spec=13CA, no=2098, id=2998, vol=9.740000e+04
assign (segid "   A" and resid    7 and name   HA) (segid "   B" and resid   15 and name   HZ) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  2099 ! spec=13CA, no=2099, id=2999, vol=1.510000e+05
assign (segid "   B" and resid    7 and name   HA) (segid "   A" and resid   15 and name   HZ) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  2099 ! spec=13CA, no=2099, id=2999, vol=1.510000e+05
assign (segid "   C" and resid    7 and name   HA) (segid "   D" and resid   15 and name   HZ) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  2099 ! spec=13CA, no=2099, id=2999, vol=1.510000e+05
assign (segid "   D" and resid    7 and name   HA) (segid "   C" and resid   15 and name   HZ) 3.649 1.665 1.665 weight 1.000 spectrum  1 peak  2099 ! spec=13CA, no=2099, id=2999, vol=1.510000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  1 peak  2108 ! spec=13CA, no=2108, id=3008, vol=2.010000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  1 peak  2108 ! spec=13CA, no=2108, id=3008, vol=2.010000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  1 peak  2108 ! spec=13CA, no=2108, id=3008, vol=2.010000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name   HN) 3.479 1.513 1.513 weight 1.000 spectrum  1 peak  2108 ! spec=13CA, no=2108, id=3008, vol=2.010000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  2113 ! spec=13CA, no=2113, id=3012, vol=1.890000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  2113 ! spec=13CA, no=2113, id=3012, vol=1.890000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  2113 ! spec=13CA, no=2113, id=3012, vol=1.890000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name   HA) 3.515 1.545 1.545 weight 1.000 spectrum  1 peak  2113 ! spec=13CA, no=2113, id=3012, vol=1.890000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2128 ! spec=13CA, no=2128, id=3027, vol=1.400000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2128 ! spec=13CA, no=2128, id=3027, vol=1.400000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2128 ! spec=13CA, no=2128, id=3027, vol=1.400000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2128 ! spec=13CA, no=2128, id=3027, vol=1.400000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   19 and name   HA) 4.039 2.040 2.040 weight 1.000 spectrum  1 peak  2130 ! spec=13CA, no=2130, id=3029, vol=8.210000e+04
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   19 and name   HA) 4.039 2.040 2.040 weight 1.000 spectrum  1 peak  2130 ! spec=13CA, no=2130, id=3029, vol=8.210000e+04
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   19 and name   HA) 4.039 2.040 2.040 weight 1.000 spectrum  1 peak  2130 ! spec=13CA, no=2130, id=3029, vol=8.210000e+04
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   19 and name   HA) 4.039 2.040 2.040 weight 1.000 spectrum  1 peak  2130 ! spec=13CA, no=2130, id=3029, vol=8.210000e+04
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   14 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2131 ! spec=13CA, no=2131, id=3030, vol=1.400000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   14 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2131 ! spec=13CA, no=2131, id=3030, vol=1.400000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   14 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2131 ! spec=13CA, no=2131, id=3030, vol=1.400000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   14 and name   HA) 3.696 1.707 1.707 weight 1.000 spectrum  1 peak  2131 ! spec=13CA, no=2131, id=3030, vol=1.400000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   B" and resid    7 and name   HN) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak  2176 ! spec=13CA, no=2176, id=3074, vol=4.050000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   A" and resid    7 and name   HN) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak  2176 ! spec=13CA, no=2176, id=3074, vol=4.050000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   D" and resid    7 and name   HN) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak  2176 ! spec=13CA, no=2176, id=3074, vol=4.050000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   C" and resid    7 and name   HN) 3.096 1.198 1.198 weight 1.000 spectrum  1 peak  2176 ! spec=13CA, no=2176, id=3074, vol=4.050000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   27 and name   HN) 2.725 0.928 0.928 weight 1.000 spectrum  2 peak    11 ! spec=13CARO, no=11, id=3082, vol=3.640000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   27 and name   HN) 2.725 0.928 0.928 weight 1.000 spectrum  2 peak    11 ! spec=13CARO, no=11, id=3082, vol=3.640000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   27 and name   HN) 2.725 0.928 0.928 weight 1.000 spectrum  2 peak    11 ! spec=13CARO, no=11, id=3082, vol=3.640000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   27 and name   HN) 2.725 0.928 0.928 weight 1.000 spectrum  2 peak    11 ! spec=13CARO, no=11, id=3082, vol=3.640000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HN) 4.245 2.252 2.252 weight 1.000 spectrum  2 peak    17 ! spec=13CARO, no=17, id=3088, vol=2.550000e+04
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   24 and name   HN) 4.245 2.252 2.252 weight 1.000 spectrum  2 peak    17 ! spec=13CARO, no=17, id=3088, vol=2.550000e+04
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   24 and name   HN) 4.245 2.252 2.252 weight 1.000 spectrum  2 peak    17 ! spec=13CARO, no=17, id=3088, vol=2.550000e+04
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   24 and name   HN) 4.245 2.252 2.252 weight 1.000 spectrum  2 peak    17 ! spec=13CARO, no=17, id=3088, vol=2.550000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   C" and resid   39 and name  HE#) 3.638 1.654 1.654 weight 1.000 spectrum  2 peak    21 ! spec=13CARO, no=21, id=3092, vol=6.440000e+04
assign (segid "   B" and resid   27 and name   HN) (segid "   D" and resid   39 and name  HE#) 3.638 1.654 1.654 weight 1.000 spectrum  2 peak    21 ! spec=13CARO, no=21, id=3092, vol=6.440000e+04
assign (segid "   C" and resid   27 and name   HN) (segid "   A" and resid   39 and name  HE#) 3.638 1.654 1.654 weight 1.000 spectrum  2 peak    21 ! spec=13CARO, no=21, id=3092, vol=6.440000e+04
assign (segid "   D" and resid   27 and name   HN) (segid "   B" and resid   39 and name  HE#) 3.638 1.654 1.654 weight 1.000 spectrum  2 peak    21 ! spec=13CARO, no=21, id=3092, vol=6.440000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   C" and resid   39 and name  HD#) 4.096 2.097 2.097 weight 1.000 spectrum  2 peak    22 ! spec=13CARO, no=22, id=3093, vol=3.160000e+04
assign (segid "   B" and resid   27 and name   HN) (segid "   D" and resid   39 and name  HD#) 4.096 2.097 2.097 weight 1.000 spectrum  2 peak    22 ! spec=13CARO, no=22, id=3093, vol=3.160000e+04
assign (segid "   C" and resid   27 and name   HN) (segid "   A" and resid   39 and name  HD#) 4.096 2.097 2.097 weight 1.000 spectrum  2 peak    22 ! spec=13CARO, no=22, id=3093, vol=3.160000e+04
assign (segid "   D" and resid   27 and name   HN) (segid "   B" and resid   39 and name  HD#) 4.096 2.097 2.097 weight 1.000 spectrum  2 peak    22 ! spec=13CARO, no=22, id=3093, vol=3.160000e+04
assign (segid "   A" and resid    7 and name   HN) (segid "   B" and resid   15 and name  HE#) 3.692 1.704 1.704 weight 1.000 spectrum  2 peak    26 ! spec=13CARO, no=26, id=3097, vol=5.890000e+04
assign (segid "   B" and resid    7 and name   HN) (segid "   A" and resid   15 and name  HE#) 3.692 1.704 1.704 weight 1.000 spectrum  2 peak    26 ! spec=13CARO, no=26, id=3097, vol=5.890000e+04
assign (segid "   C" and resid    7 and name   HN) (segid "   D" and resid   15 and name  HE#) 3.692 1.704 1.704 weight 1.000 spectrum  2 peak    26 ! spec=13CARO, no=26, id=3097, vol=5.890000e+04
assign (segid "   D" and resid    7 and name   HN) (segid "   C" and resid   15 and name  HE#) 3.692 1.704 1.704 weight 1.000 spectrum  2 peak    26 ! spec=13CARO, no=26, id=3097, vol=5.890000e+04
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HD#) 3.043 1.157 1.157 weight 1.000 spectrum  2 peak    28 ! spec=13CARO, no=28, id=3099, vol=1.880000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HD#) 3.043 1.157 1.157 weight 1.000 spectrum  2 peak    28 ! spec=13CARO, no=28, id=3099, vol=1.880000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HD#) 3.043 1.157 1.157 weight 1.000 spectrum  2 peak    28 ! spec=13CARO, no=28, id=3099, vol=1.880000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HD#) 3.043 1.157 1.157 weight 1.000 spectrum  2 peak    28 ! spec=13CARO, no=28, id=3099, vol=1.880000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   15 and name  HD#) 3.988 1.988 1.988 weight 1.000 spectrum  2 peak    30 ! spec=13CARO, no=30, id=3101, vol=3.710000e+04
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid   15 and name  HD#) 3.988 1.988 1.988 weight 1.000 spectrum  2 peak    30 ! spec=13CARO, no=30, id=3101, vol=3.710000e+04
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid   15 and name  HD#) 3.988 1.988 1.988 weight 1.000 spectrum  2 peak    30 ! spec=13CARO, no=30, id=3101, vol=3.710000e+04
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   15 and name  HD#) 3.988 1.988 1.988 weight 1.000 spectrum  2 peak    30 ! spec=13CARO, no=30, id=3101, vol=3.710000e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HN) 2.801 0.981 0.981 weight 1.000 spectrum  2 peak    35 ! spec=13CARO, no=35, id=3106, vol=3.090000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name   HN) 2.801 0.981 0.981 weight 1.000 spectrum  2 peak    35 ! spec=13CARO, no=35, id=3106, vol=3.090000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name   HN) 2.801 0.981 0.981 weight 1.000 spectrum  2 peak    35 ! spec=13CARO, no=35, id=3106, vol=3.090000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name   HN) 2.801 0.981 0.981 weight 1.000 spectrum  2 peak    35 ! spec=13CARO, no=35, id=3106, vol=3.090000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name   HN) 2.664 0.887 0.887 weight 1.000 spectrum  2 peak    44 ! spec=13CARO, no=44, id=3109, vol=4.170000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name   HN) 2.664 0.887 0.887 weight 1.000 spectrum  2 peak    44 ! spec=13CARO, no=44, id=3109, vol=4.170000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name   HN) 2.664 0.887 0.887 weight 1.000 spectrum  2 peak    44 ! spec=13CARO, no=44, id=3109, vol=4.170000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name   HN) 2.664 0.887 0.887 weight 1.000 spectrum  2 peak    44 ! spec=13CARO, no=44, id=3109, vol=4.170000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak    48 ! spec=13CARO, no=48, id=3113, vol=1.230000e+06
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak    48 ! spec=13CARO, no=48, id=3113, vol=1.230000e+06
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak    48 ! spec=13CARO, no=48, id=3113, vol=1.230000e+06
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak    48 ! spec=13CARO, no=48, id=3113, vol=1.230000e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    6 and name   HA) 2.884 1.040 1.040 weight 1.000 spectrum  2 peak    49 ! spec=13CARO, no=49, id=3114, vol=2.590000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    6 and name   HA) 2.884 1.040 1.040 weight 1.000 spectrum  2 peak    49 ! spec=13CARO, no=49, id=3114, vol=2.590000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    6 and name   HA) 2.884 1.040 1.040 weight 1.000 spectrum  2 peak    49 ! spec=13CARO, no=49, id=3114, vol=2.590000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    6 and name   HA) 2.884 1.040 1.040 weight 1.000 spectrum  2 peak    49 ! spec=13CARO, no=49, id=3114, vol=2.590000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   B" and resid    8 and name   HA) 2.821 0.995 0.995 weight 1.000 spectrum  2 peak    50 ! spec=13CARO, no=50, id=3115, vol=2.960000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   A" and resid    8 and name   HA) 2.821 0.995 0.995 weight 1.000 spectrum  2 peak    50 ! spec=13CARO, no=50, id=3115, vol=2.960000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   D" and resid    8 and name   HA) 2.821 0.995 0.995 weight 1.000 spectrum  2 peak    50 ! spec=13CARO, no=50, id=3115, vol=2.960000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   C" and resid    8 and name   HA) 2.821 0.995 0.995 weight 1.000 spectrum  2 peak    50 ! spec=13CARO, no=50, id=3115, vol=2.960000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.327 0.677 0.677 weight 1.000 spectrum  2 peak    51 ! spec=13CARO, no=51, id=3116, vol=9.400000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name   HA) 2.327 0.677 0.677 weight 1.000 spectrum  2 peak    51 ! spec=13CARO, no=51, id=3116, vol=9.400000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name   HA) 2.327 0.677 0.677 weight 1.000 spectrum  2 peak    51 ! spec=13CARO, no=51, id=3116, vol=9.400000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name   HA) 2.327 0.677 0.677 weight 1.000 spectrum  2 peak    51 ! spec=13CARO, no=51, id=3116, vol=9.400000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 2.616 0.856 0.856 weight 1.000 spectrum  2 peak    52 ! spec=13CARO, no=52, id=3117, vol=4.650000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name   HA) 2.616 0.856 0.856 weight 1.000 spectrum  2 peak    52 ! spec=13CARO, no=52, id=3117, vol=4.650000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name   HA) 2.616 0.856 0.856 weight 1.000 spectrum  2 peak    52 ! spec=13CARO, no=52, id=3117, vol=4.650000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name   HA) 2.616 0.856 0.856 weight 1.000 spectrum  2 peak    52 ! spec=13CARO, no=52, id=3117, vol=4.650000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HA) 2.768 0.957 0.957 weight 1.000 spectrum  2 peak    53 ! spec=13CARO, no=53, id=3118, vol=3.320000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    9 and name   HA) 2.768 0.957 0.957 weight 1.000 spectrum  2 peak    53 ! spec=13CARO, no=53, id=3118, vol=3.320000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name   HA) 2.768 0.957 0.957 weight 1.000 spectrum  2 peak    53 ! spec=13CARO, no=53, id=3118, vol=3.320000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    9 and name   HA) 2.768 0.957 0.957 weight 1.000 spectrum  2 peak    53 ! spec=13CARO, no=53, id=3118, vol=3.320000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HD#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak    54 ! spec=13CARO, no=54, id=3119, vol=5.680000e+05
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    6 and name  HD#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak    54 ! spec=13CARO, no=54, id=3119, vol=5.680000e+05
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    6 and name  HD#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak    54 ! spec=13CARO, no=54, id=3119, vol=5.680000e+05
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    6 and name  HD#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak    54 ! spec=13CARO, no=54, id=3119, vol=5.680000e+05
assign (segid "   A" and resid    6 and name  HD#) (segid "   B" and resid    8 and name   HA) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak    55 ! spec=13CARO, no=55, id=3120, vol=3.130000e+05
assign (segid "   B" and resid    6 and name  HD#) (segid "   A" and resid    8 and name   HA) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak    55 ! spec=13CARO, no=55, id=3120, vol=3.130000e+05
assign (segid "   C" and resid    6 and name  HD#) (segid "   D" and resid    8 and name   HA) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak    55 ! spec=13CARO, no=55, id=3120, vol=3.130000e+05
assign (segid "   D" and resid    6 and name  HD#) (segid "   C" and resid    8 and name   HA) 2.795 0.976 0.976 weight 1.000 spectrum  2 peak    55 ! spec=13CARO, no=55, id=3120, vol=3.130000e+05
assign (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid    8 and name   HA) 3.279 1.344 1.344 weight 1.000 spectrum  2 peak    57 ! spec=13CARO, no=57, id=3122, vol=1.200000e+05
assign (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid    8 and name   HA) 3.279 1.344 1.344 weight 1.000 spectrum  2 peak    57 ! spec=13CARO, no=57, id=3122, vol=1.200000e+05
assign (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid    8 and name   HA) 3.279 1.344 1.344 weight 1.000 spectrum  2 peak    57 ! spec=13CARO, no=57, id=3122, vol=1.200000e+05
assign (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid    8 and name   HA) 3.279 1.344 1.344 weight 1.000 spectrum  2 peak    57 ! spec=13CARO, no=57, id=3122, vol=1.200000e+05
assign (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    7 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    58 ! spec=13CARO, no=58, id=3123, vol=9.650000e+04
assign (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    7 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    58 ! spec=13CARO, no=58, id=3123, vol=9.650000e+04
assign (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    7 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    58 ! spec=13CARO, no=58, id=3123, vol=9.650000e+04
assign (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    7 and name   HA) 3.400 1.445 1.445 weight 1.000 spectrum  2 peak    58 ! spec=13CARO, no=58, id=3123, vol=9.650000e+04
assign (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    7 and name   HA) 2.639 0.870 0.870 weight 1.000 spectrum  2 peak    62 ! spec=13CARO, no=62, id=3127, vol=4.420000e+05
assign (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    7 and name   HA) 2.639 0.870 0.870 weight 1.000 spectrum  2 peak    62 ! spec=13CARO, no=62, id=3127, vol=4.420000e+05
assign (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    7 and name   HA) 2.639 0.870 0.870 weight 1.000 spectrum  2 peak    62 ! spec=13CARO, no=62, id=3127, vol=4.420000e+05
assign (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    7 and name   HA) 2.639 0.870 0.870 weight 1.000 spectrum  2 peak    62 ! spec=13CARO, no=62, id=3127, vol=4.420000e+05
assign (segid "   A" and resid   15 and name   HZ) (segid "   B" and resid    7 and name   HA) 3.395 1.440 1.440 weight 1.000 spectrum  2 peak    63 ! spec=13CARO, no=63, id=3128, vol=9.750000e+04
assign (segid "   B" and resid   15 and name   HZ) (segid "   A" and resid    7 and name   HA) 3.395 1.440 1.440 weight 1.000 spectrum  2 peak    63 ! spec=13CARO, no=63, id=3128, vol=9.750000e+04
assign (segid "   C" and resid   15 and name   HZ) (segid "   D" and resid    7 and name   HA) 3.395 1.440 1.440 weight 1.000 spectrum  2 peak    63 ! spec=13CARO, no=63, id=3128, vol=9.750000e+04
assign (segid "   D" and resid   15 and name   HZ) (segid "   C" and resid    7 and name   HA) 3.395 1.440 1.440 weight 1.000 spectrum  2 peak    63 ! spec=13CARO, no=63, id=3128, vol=9.750000e+04
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   10 and name   HA) 3.270 1.337 1.537 weight 1.000 spectrum  2 peak    66 ! spec=13CARO, no=66, id=3131, vol=1.220000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   10 and name   HA) 3.270 1.337 1.537 weight 1.000 spectrum  2 peak    66 ! spec=13CARO, no=66, id=3131, vol=1.220000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   10 and name   HA) 3.270 1.337 1.537 weight 1.000 spectrum  2 peak    66 ! spec=13CARO, no=66, id=3131, vol=1.220000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   10 and name   HA) 3.270 1.337 1.537 weight 1.000 spectrum  2 peak    66 ! spec=13CARO, no=66, id=3131, vol=1.220000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    4 and name   HB) 4.215 2.221 2.221 weight 1.000 spectrum  2 peak    72 ! spec=13CARO, no=72, id=3137, vol=2.660000e+04
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    4 and name   HB) 4.215 2.221 2.221 weight 1.000 spectrum  2 peak    72 ! spec=13CARO, no=72, id=3137, vol=2.660000e+04
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    4 and name   HB) 4.215 2.221 2.221 weight 1.000 spectrum  2 peak    72 ! spec=13CARO, no=72, id=3137, vol=2.660000e+04
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    4 and name   HB) 4.215 2.221 2.221 weight 1.000 spectrum  2 peak    72 ! spec=13CARO, no=72, id=3137, vol=2.660000e+04
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    5 and name   HA) 4.010 2.010 2.010 weight 1.000 spectrum  2 peak    73 ! spec=13CARO, no=73, id=3138, vol=3.590000e+04
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    5 and name   HA) 4.010 2.010 2.010 weight 1.000 spectrum  2 peak    73 ! spec=13CARO, no=73, id=3138, vol=3.590000e+04
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    5 and name   HA) 4.010 2.010 2.010 weight 1.000 spectrum  2 peak    73 ! spec=13CARO, no=73, id=3138, vol=3.590000e+04
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    5 and name   HA) 4.010 2.010 2.010 weight 1.000 spectrum  2 peak    73 ! spec=13CARO, no=73, id=3138, vol=3.590000e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   19 and name   HA) 2.836 1.005 1.005 weight 1.000 spectrum  2 peak    75 ! spec=13CARO, no=75, id=3140, vol=2.870000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   19 and name   HA) 2.836 1.005 1.005 weight 1.000 spectrum  2 peak    75 ! spec=13CARO, no=75, id=3140, vol=2.870000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   19 and name   HA) 2.836 1.005 1.005 weight 1.000 spectrum  2 peak    75 ! spec=13CARO, no=75, id=3140, vol=2.870000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   19 and name   HA) 2.836 1.005 1.005 weight 1.000 spectrum  2 peak    75 ! spec=13CARO, no=75, id=3140, vol=2.870000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak    76 ! spec=13CARO, no=76, id=3141, vol=4.970000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name   HA) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak    76 ! spec=13CARO, no=76, id=3141, vol=4.970000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name   HA) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak    76 ! spec=13CARO, no=76, id=3141, vol=4.970000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name   HA) 2.588 0.837 0.837 weight 1.000 spectrum  2 peak    76 ! spec=13CARO, no=76, id=3141, vol=4.970000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   18 and name   HA) 3.369 1.419 1.419 weight 1.000 spectrum  2 peak    77 ! spec=13CARO, no=77, id=3142, vol=1.020000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   18 and name   HA) 3.369 1.419 1.419 weight 1.000 spectrum  2 peak    77 ! spec=13CARO, no=77, id=3142, vol=1.020000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   18 and name   HA) 3.369 1.419 1.419 weight 1.000 spectrum  2 peak    77 ! spec=13CARO, no=77, id=3142, vol=1.020000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   18 and name   HA) 3.369 1.419 1.419 weight 1.000 spectrum  2 peak    77 ! spec=13CARO, no=77, id=3142, vol=1.020000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    80 ! spec=13CARO, no=80, id=3145, vol=1.310000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   18 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    80 ! spec=13CARO, no=80, id=3145, vol=1.310000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    80 ! spec=13CARO, no=80, id=3145, vol=1.310000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name   HA) 3.232 1.305 1.305 weight 1.000 spectrum  2 peak    80 ! spec=13CARO, no=80, id=3145, vol=1.310000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name   HA) 3.412 1.455 1.455 weight 1.000 spectrum  2 peak    81 ! spec=13CARO, no=81, id=3146, vol=9.450000e+04
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   15 and name   HA) 3.412 1.455 1.455 weight 1.000 spectrum  2 peak    81 ! spec=13CARO, no=81, id=3146, vol=9.450000e+04
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   15 and name   HA) 3.412 1.455 1.455 weight 1.000 spectrum  2 peak    81 ! spec=13CARO, no=81, id=3146, vol=9.450000e+04
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   15 and name   HA) 3.412 1.455 1.455 weight 1.000 spectrum  2 peak    81 ! spec=13CARO, no=81, id=3146, vol=9.450000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HA) 2.694 0.907 0.907 weight 1.000 spectrum  2 peak    82 ! spec=13CARO, no=82, id=3147, vol=3.900000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   27 and name   HA) 2.694 0.907 0.907 weight 1.000 spectrum  2 peak    82 ! spec=13CARO, no=82, id=3147, vol=3.900000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name   HA) 2.694 0.907 0.907 weight 1.000 spectrum  2 peak    82 ! spec=13CARO, no=82, id=3147, vol=3.900000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   27 and name   HA) 2.694 0.907 0.907 weight 1.000 spectrum  2 peak    82 ! spec=13CARO, no=82, id=3147, vol=3.900000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   25 and name   HA) 3.829 1.833 1.833 weight 1.000 spectrum  2 peak    84 ! spec=13CARO, no=84, id=3149, vol=4.730000e+04
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   25 and name   HA) 3.829 1.833 1.833 weight 1.000 spectrum  2 peak    84 ! spec=13CARO, no=84, id=3149, vol=4.730000e+04
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   25 and name   HA) 3.829 1.833 1.833 weight 1.000 spectrum  2 peak    84 ! spec=13CARO, no=84, id=3149, vol=4.730000e+04
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   25 and name   HA) 3.829 1.833 1.833 weight 1.000 spectrum  2 peak    84 ! spec=13CARO, no=84, id=3149, vol=4.730000e+04
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name   HA) 3.073 1.181 1.181 weight 1.000 spectrum  2 peak    85 ! spec=13CARO, no=85, id=3150, vol=1.770000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name   HA) 3.073 1.181 1.181 weight 1.000 spectrum  2 peak    85 ! spec=13CARO, no=85, id=3150, vol=1.770000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name   HA) 3.073 1.181 1.181 weight 1.000 spectrum  2 peak    85 ! spec=13CARO, no=85, id=3150, vol=1.770000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name   HA) 3.073 1.181 1.181 weight 1.000 spectrum  2 peak    85 ! spec=13CARO, no=85, id=3150, vol=1.770000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   24 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  2 peak    86 ! spec=13CARO, no=86, id=3151, vol=1.720000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   24 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  2 peak    86 ! spec=13CARO, no=86, id=3151, vol=1.720000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   24 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  2 peak    86 ! spec=13CARO, no=86, id=3151, vol=1.720000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   24 and name   HA) 3.088 1.192 1.192 weight 1.000 spectrum  2 peak    86 ! spec=13CARO, no=86, id=3151, vol=1.720000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   16 and name   HA) 2.932 1.074 1.074 weight 1.000 spectrum  2 peak    88 ! spec=13CARO, no=88, id=3153, vol=2.350000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   16 and name   HA) 2.932 1.074 1.074 weight 1.000 spectrum  2 peak    88 ! spec=13CARO, no=88, id=3153, vol=2.350000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   16 and name   HA) 2.932 1.074 1.074 weight 1.000 spectrum  2 peak    88 ! spec=13CARO, no=88, id=3153, vol=2.350000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   16 and name   HA) 2.932 1.074 1.074 weight 1.000 spectrum  2 peak    88 ! spec=13CARO, no=88, id=3153, vol=2.350000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name   HA) 2.659 0.884 0.884 weight 1.000 spectrum  2 peak    91 ! spec=13CARO, no=91, id=3156, vol=4.220000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name   HA) 2.659 0.884 0.884 weight 1.000 spectrum  2 peak    91 ! spec=13CARO, no=91, id=3156, vol=4.220000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name   HA) 2.659 0.884 0.884 weight 1.000 spectrum  2 peak    91 ! spec=13CARO, no=91, id=3156, vol=4.220000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name   HA) 2.659 0.884 0.884 weight 1.000 spectrum  2 peak    91 ! spec=13CARO, no=91, id=3156, vol=4.220000e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HA) 2.657 0.882 0.882 weight 1.000 spectrum  2 peak    92 ! spec=13CARO, no=92, id=3157, vol=4.240000e+05
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name   HA) 2.657 0.882 0.882 weight 1.000 spectrum  2 peak    92 ! spec=13CARO, no=92, id=3157, vol=4.240000e+05
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HA) 2.657 0.882 0.882 weight 1.000 spectrum  2 peak    92 ! spec=13CARO, no=92, id=3157, vol=4.240000e+05
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name   HA) 2.657 0.882 0.882 weight 1.000 spectrum  2 peak    92 ! spec=13CARO, no=92, id=3157, vol=4.240000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB#) 3.122 1.219 1.219 weight 1.000 spectrum  2 peak    98 ! spec=13CARO, no=98, id=3163, vol=1.610000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    6 and name  HB#) 3.122 1.219 1.219 weight 1.000 spectrum  2 peak    98 ! spec=13CARO, no=98, id=3163, vol=1.610000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    6 and name  HB#) 3.122 1.219 1.219 weight 1.000 spectrum  2 peak    98 ! spec=13CARO, no=98, id=3163, vol=1.610000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    6 and name  HB#) 3.122 1.219 1.219 weight 1.000 spectrum  2 peak    98 ! spec=13CARO, no=98, id=3163, vol=1.610000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HG#) 3.745 1.753 1.753 weight 1.000 spectrum  2 peak    99 ! spec=13CARO, no=99, id=3164, vol=5.410000e+04
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name  HG#) 3.745 1.753 1.753 weight 1.000 spectrum  2 peak    99 ! spec=13CARO, no=99, id=3164, vol=5.410000e+04
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name  HG#) 3.745 1.753 1.753 weight 1.000 spectrum  2 peak    99 ! spec=13CARO, no=99, id=3164, vol=5.410000e+04
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name  HG#) 3.745 1.753 1.753 weight 1.000 spectrum  2 peak    99 ! spec=13CARO, no=99, id=3164, vol=5.410000e+04
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   100 ! spec=13CARO, no=100, id=3165, vol=2.690000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HG#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   100 ! spec=13CARO, no=100, id=3165, vol=2.690000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HG#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   100 ! spec=13CARO, no=100, id=3165, vol=2.690000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HG#) 2.866 1.027 1.027 weight 1.000 spectrum  2 peak   100 ! spec=13CARO, no=100, id=3165, vol=2.690000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB#) 2.728 0.930 0.930 weight 1.000 spectrum  2 peak   105 ! spec=13CARO, no=105, id=3170, vol=3.620000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HB#) 2.728 0.930 0.930 weight 1.000 spectrum  2 peak   105 ! spec=13CARO, no=105, id=3170, vol=3.620000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB#) 2.728 0.930 0.930 weight 1.000 spectrum  2 peak   105 ! spec=13CARO, no=105, id=3170, vol=3.620000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HB#) 2.728 0.930 0.930 weight 1.000 spectrum  2 peak   105 ! spec=13CARO, no=105, id=3170, vol=3.620000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB#) 3.244 1.315 1.315 weight 1.000 spectrum  2 peak   108 ! spec=13CARO, no=108, id=3173, vol=1.280000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name  HB#) 3.244 1.315 1.315 weight 1.000 spectrum  2 peak   108 ! spec=13CARO, no=108, id=3173, vol=1.280000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name  HB#) 3.244 1.315 1.315 weight 1.000 spectrum  2 peak   108 ! spec=13CARO, no=108, id=3173, vol=1.280000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name  HB#) 3.244 1.315 1.315 weight 1.000 spectrum  2 peak   108 ! spec=13CARO, no=108, id=3173, vol=1.280000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.149 1.240 1.240 weight 1.000 spectrum  2 peak   131 ! spec=13CARO, no=131, id=3196, vol=1.530000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.149 1.240 1.240 weight 1.000 spectrum  2 peak   131 ! spec=13CARO, no=131, id=3196, vol=1.530000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.149 1.240 1.240 weight 1.000 spectrum  2 peak   131 ! spec=13CARO, no=131, id=3196, vol=1.530000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.149 1.240 1.240 weight 1.000 spectrum  2 peak   131 ! spec=13CARO, no=131, id=3196, vol=1.530000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB#) 3.211 1.289 1.289 weight 1.000 spectrum  2 peak   132 ! spec=13CARO, no=132, id=3197, vol=1.360000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   18 and name  HB#) 3.211 1.289 1.289 weight 1.000 spectrum  2 peak   132 ! spec=13CARO, no=132, id=3197, vol=1.360000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HB#) 3.211 1.289 1.289 weight 1.000 spectrum  2 peak   132 ! spec=13CARO, no=132, id=3197, vol=1.360000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB#) 3.211 1.289 1.289 weight 1.000 spectrum  2 peak   132 ! spec=13CARO, no=132, id=3197, vol=1.360000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    4 and name HG2#) 2.960 1.095 1.095 weight 1.000 spectrum  2 peak   147 ! spec=13CARO, no=147, id=3203, vol=2.220000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    4 and name HG2#) 2.960 1.095 1.095 weight 1.000 spectrum  2 peak   147 ! spec=13CARO, no=147, id=3203, vol=2.220000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    4 and name HG2#) 2.960 1.095 1.095 weight 1.000 spectrum  2 peak   147 ! spec=13CARO, no=147, id=3203, vol=2.220000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    4 and name HG2#) 2.960 1.095 1.095 weight 1.000 spectrum  2 peak   147 ! spec=13CARO, no=147, id=3203, vol=2.220000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB#) 2.881 1.037 1.037 weight 1.000 spectrum  2 peak   154 ! spec=13CARO, no=154, id=3205, vol=2.610000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name  HB#) 2.881 1.037 1.037 weight 1.000 spectrum  2 peak   154 ! spec=13CARO, no=154, id=3205, vol=2.610000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB#) 2.881 1.037 1.037 weight 1.000 spectrum  2 peak   154 ! spec=13CARO, no=154, id=3205, vol=2.610000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name  HB#) 2.881 1.037 1.037 weight 1.000 spectrum  2 peak   154 ! spec=13CARO, no=154, id=3205, vol=2.610000e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.503 0.783 0.783 weight 1.000 spectrum  2 peak   179 ! spec=13CARO, no=179, id=3222, vol=6.070000e+05
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.503 0.783 0.783 weight 1.000 spectrum  2 peak   179 ! spec=13CARO, no=179, id=3222, vol=6.070000e+05
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.503 0.783 0.783 weight 1.000 spectrum  2 peak   179 ! spec=13CARO, no=179, id=3222, vol=6.070000e+05
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.503 0.783 0.783 weight 1.000 spectrum  2 peak   179 ! spec=13CARO, no=179, id=3222, vol=6.070000e+05
assign (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid   15 and name  HB#) 3.146 1.237 1.237 weight 1.000 spectrum  2 peak   185 ! spec=13CARO, no=185, id=3228, vol=1.540000e+05
assign (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid   15 and name  HB#) 3.146 1.237 1.237 weight 1.000 spectrum  2 peak   185 ! spec=13CARO, no=185, id=3228, vol=1.540000e+05
assign (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid   15 and name  HB#) 3.146 1.237 1.237 weight 1.000 spectrum  2 peak   185 ! spec=13CARO, no=185, id=3228, vol=1.540000e+05
assign (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid   15 and name  HB#) 3.146 1.237 1.237 weight 1.000 spectrum  2 peak   185 ! spec=13CARO, no=185, id=3228, vol=1.540000e+05
assign (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid   15 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   186 ! spec=13CARO, no=186, id=3229, vol=1.380000e+05
assign (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid   15 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   186 ! spec=13CARO, no=186, id=3229, vol=1.380000e+05
assign (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid   15 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   186 ! spec=13CARO, no=186, id=3229, vol=1.380000e+05
assign (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid   15 and name  HB#) 3.204 1.283 1.283 weight 1.000 spectrum  2 peak   186 ! spec=13CARO, no=186, id=3229, vol=1.380000e+05
assign (segid "   A" and resid    8 and name HE2#) (segid "   A" and resid    8 and name  HB#) 2.530 0.800 0.800 weight 1.000 spectrum  2 peak   195 ! spec=13CARO, no=195, id=3238, vol=5.690000e+05
assign (segid "   B" and resid    8 and name HE2#) (segid "   B" and resid    8 and name  HB#) 2.530 0.800 0.800 weight 1.000 spectrum  2 peak   195 ! spec=13CARO, no=195, id=3238, vol=5.690000e+05
assign (segid "   C" and resid    8 and name HE2#) (segid "   C" and resid    8 and name  HB#) 2.530 0.800 0.800 weight 1.000 spectrum  2 peak   195 ! spec=13CARO, no=195, id=3238, vol=5.690000e+05
assign (segid "   D" and resid    8 and name HE2#) (segid "   D" and resid    8 and name  HB#) 2.530 0.800 0.800 weight 1.000 spectrum  2 peak   195 ! spec=13CARO, no=195, id=3238, vol=5.690000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#) 2.785 0.969 0.969 weight 1.000 spectrum  2 peak   196 ! spec=13CARO, no=196, id=3239, vol=3.200000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#) 2.785 0.969 0.969 weight 1.000 spectrum  2 peak   196 ! spec=13CARO, no=196, id=3239, vol=3.200000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#) 2.785 0.969 0.969 weight 1.000 spectrum  2 peak   196 ! spec=13CARO, no=196, id=3239, vol=3.200000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#) 2.785 0.969 0.969 weight 1.000 spectrum  2 peak   196 ! spec=13CARO, no=196, id=3239, vol=3.200000e+05
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name  HE#) 3.032 1.149 1.149 weight 1.000 spectrum  2 peak   200 ! spec=13CARO, no=200, id=3243, vol=1.920000e+05
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   39 and name  HE#) 3.032 1.149 1.149 weight 1.000 spectrum  2 peak   200 ! spec=13CARO, no=200, id=3243, vol=1.920000e+05
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   39 and name  HE#) 3.032 1.149 1.149 weight 1.000 spectrum  2 peak   200 ! spec=13CARO, no=200, id=3243, vol=1.920000e+05
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   39 and name  HE#) 3.032 1.149 1.149 weight 1.000 spectrum  2 peak   200 ! spec=13CARO, no=200, id=3243, vol=1.920000e+05
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HE#) 3.032 3.032 2.968 weight 1.000 spectrum  2 peak   201 ! spec=13CARO, no=201, id=3244, vol=1.920000e+05
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HE#) 3.032 3.032 2.968 weight 1.000 spectrum  2 peak   201 ! spec=13CARO, no=201, id=3244, vol=1.920000e+05
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HE#) 3.032 3.032 2.968 weight 1.000 spectrum  2 peak   201 ! spec=13CARO, no=201, id=3244, vol=1.920000e+05
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HE#) 3.032 3.032 2.968 weight 1.000 spectrum  2 peak   201 ! spec=13CARO, no=201, id=3244, vol=1.920000e+05
assign (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   26 and name  HG#) 3.322 1.379 1.379 weight 1.000 spectrum  2 peak   203 ! spec=13CARO, no=203, id=3246, vol=1.110000e+05
assign (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   26 and name  HG#) 3.322 1.379 1.379 weight 1.000 spectrum  2 peak   203 ! spec=13CARO, no=203, id=3246, vol=1.110000e+05
assign (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   26 and name  HG#) 3.322 1.379 1.379 weight 1.000 spectrum  2 peak   203 ! spec=13CARO, no=203, id=3246, vol=1.110000e+05
assign (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   26 and name  HG#) 3.322 1.379 1.379 weight 1.000 spectrum  2 peak   203 ! spec=13CARO, no=203, id=3246, vol=1.110000e+05
assign (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   23 and name  HB#) 2.364 0.698 0.853 weight 1.000 spectrum  2 peak   205 ! spec=13CARO, no=205, id=3248, vol=8.550000e+05
assign (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   23 and name  HB#) 2.364 0.698 0.853 weight 1.000 spectrum  2 peak   205 ! spec=13CARO, no=205, id=3248, vol=8.550000e+05
assign (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   23 and name  HB#) 2.364 0.698 0.853 weight 1.000 spectrum  2 peak   205 ! spec=13CARO, no=205, id=3248, vol=8.550000e+05
assign (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   23 and name  HB#) 2.364 0.698 0.853 weight 1.000 spectrum  2 peak   205 ! spec=13CARO, no=205, id=3248, vol=8.550000e+05
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    6 and name  HE#) 3.200 1.280 1.280 weight 1.000 spectrum  2 peak   212 ! spec=13CARO, no=212, id=3255, vol=1.390000e+05
assign (segid "   B" and resid    4 and name   HB) (segid "   B" and resid    6 and name  HE#) 3.200 1.280 1.280 weight 1.000 spectrum  2 peak   212 ! spec=13CARO, no=212, id=3255, vol=1.390000e+05
assign (segid "   C" and resid    4 and name   HB) (segid "   C" and resid    6 and name  HE#) 3.200 1.280 1.280 weight 1.000 spectrum  2 peak   212 ! spec=13CARO, no=212, id=3255, vol=1.390000e+05
assign (segid "   D" and resid    4 and name   HB) (segid "   D" and resid    6 and name  HE#) 3.200 1.280 1.280 weight 1.000 spectrum  2 peak   212 ! spec=13CARO, no=212, id=3255, vol=1.390000e+05
assign (segid "   A" and resid    6 and name  HE#) (segid "   B" and resid    8 and name  HG#) 2.598 0.844 0.844 weight 1.000 spectrum  2 peak   215 ! spec=13CARO, no=215, id=3258, vol=4.850000e+05
assign (segid "   B" and resid    6 and name  HE#) (segid "   A" and resid    8 and name  HG#) 2.598 0.844 0.844 weight 1.000 spectrum  2 peak   215 ! spec=13CARO, no=215, id=3258, vol=4.850000e+05
assign (segid "   C" and resid    6 and name  HE#) (segid "   D" and resid    8 and name  HG#) 2.598 0.844 0.844 weight 1.000 spectrum  2 peak   215 ! spec=13CARO, no=215, id=3258, vol=4.850000e+05
assign (segid "   D" and resid    6 and name  HE#) (segid "   C" and resid    8 and name  HG#) 2.598 0.844 0.844 weight 1.000 spectrum  2 peak   215 ! spec=13CARO, no=215, id=3258, vol=4.850000e+05
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HD#) 2.207 0.609 0.609 weight 1.000 spectrum  2 peak   217 ! spec=13CARO, no=217, id=3260, vol=1.290000e+06
assign (segid "   B" and resid   15 and name   HA) (segid "   B" and resid   15 and name  HD#) 2.207 0.609 0.609 weight 1.000 spectrum  2 peak   217 ! spec=13CARO, no=217, id=3260, vol=1.290000e+06
assign (segid "   C" and resid   15 and name   HA) (segid "   C" and resid   15 and name  HD#) 2.207 0.609 0.609 weight 1.000 spectrum  2 peak   217 ! spec=13CARO, no=217, id=3260, vol=1.290000e+06
assign (segid "   D" and resid   15 and name   HA) (segid "   D" and resid   15 and name  HD#) 2.207 0.609 0.609 weight 1.000 spectrum  2 peak   217 ! spec=13CARO, no=217, id=3260, vol=1.290000e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   219 ! spec=13CARO, no=219, id=3262, vol=4.230000e+05
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   219 ! spec=13CARO, no=219, id=3262, vol=4.230000e+05
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   219 ! spec=13CARO, no=219, id=3262, vol=4.230000e+05
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   15 and name  HD#) 2.658 0.883 0.883 weight 1.000 spectrum  2 peak   219 ! spec=13CARO, no=219, id=3262, vol=4.230000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   15 and name  HD#) 2.334 0.681 0.681 weight 1.000 spectrum  2 peak   221 ! spec=13CARO, no=221, id=3264, vol=9.230000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   15 and name  HD#) 2.334 0.681 0.681 weight 1.000 spectrum  2 peak   221 ! spec=13CARO, no=221, id=3264, vol=9.230000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   15 and name  HD#) 2.334 0.681 0.681 weight 1.000 spectrum  2 peak   221 ! spec=13CARO, no=221, id=3264, vol=9.230000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   15 and name  HD#) 2.334 0.681 0.681 weight 1.000 spectrum  2 peak   221 ! spec=13CARO, no=221, id=3264, vol=9.230000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   15 and name  HD#) 2.373 0.704 0.704 weight 1.000 spectrum  2 peak   222 ! spec=13CARO, no=222, id=3265, vol=8.360000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   15 and name  HD#) 2.373 0.704 0.704 weight 1.000 spectrum  2 peak   222 ! spec=13CARO, no=222, id=3265, vol=8.360000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   15 and name  HD#) 2.373 0.704 0.704 weight 1.000 spectrum  2 peak   222 ! spec=13CARO, no=222, id=3265, vol=8.360000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   15 and name  HD#) 2.373 0.704 0.704 weight 1.000 spectrum  2 peak   222 ! spec=13CARO, no=222, id=3265, vol=8.360000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HD#) 2.636 2.636 3.364 weight 1.000 spectrum  2 peak   223 ! spec=13CARO, no=223, id=3266, vol=4.450000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HD#) 2.636 2.636 3.364 weight 1.000 spectrum  2 peak   223 ! spec=13CARO, no=223, id=3266, vol=4.450000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HD#) 2.636 2.636 3.364 weight 1.000 spectrum  2 peak   223 ! spec=13CARO, no=223, id=3266, vol=4.450000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HD#) 2.636 2.636 3.364 weight 1.000 spectrum  2 peak   223 ! spec=13CARO, no=223, id=3266, vol=4.450000e+05
assign (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    5 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  2 peak   225 ! spec=13CARO, no=225, id=3268, vol=3.880000e+05
assign (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    5 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  2 peak   225 ! spec=13CARO, no=225, id=3268, vol=3.880000e+05
assign (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    5 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  2 peak   225 ! spec=13CARO, no=225, id=3268, vol=3.880000e+05
assign (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    5 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  2 peak   225 ! spec=13CARO, no=225, id=3268, vol=3.880000e+05
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    5 and name  HD#) 2.353 0.692 0.692 weight 1.000 spectrum  2 peak   235 ! spec=13CARO, no=235, id=3278, vol=8.780000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    5 and name  HD#) 2.353 0.692 0.692 weight 1.000 spectrum  2 peak   235 ! spec=13CARO, no=235, id=3278, vol=8.780000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    5 and name  HD#) 2.353 0.692 0.692 weight 1.000 spectrum  2 peak   235 ! spec=13CARO, no=235, id=3278, vol=8.780000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    5 and name  HD#) 2.353 0.692 0.692 weight 1.000 spectrum  2 peak   235 ! spec=13CARO, no=235, id=3278, vol=8.780000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   11 and name  HA#) 2.919 1.065 1.065 weight 1.000 spectrum  2 peak   239 ! spec=13CARO, no=239, id=3282, vol=2.410000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   11 and name  HA#) 2.919 1.065 1.065 weight 1.000 spectrum  2 peak   239 ! spec=13CARO, no=239, id=3282, vol=2.410000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   11 and name  HA#) 2.919 1.065 1.065 weight 1.000 spectrum  2 peak   239 ! spec=13CARO, no=239, id=3282, vol=2.410000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   11 and name  HA#) 2.919 1.065 1.065 weight 1.000 spectrum  2 peak   239 ! spec=13CARO, no=239, id=3282, vol=2.410000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name   HA) 2.391 0.715 0.715 weight 1.000 spectrum  2 peak   240 ! spec=13CARO, no=240, id=3283, vol=7.980000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name   HA) 2.391 0.715 0.715 weight 1.000 spectrum  2 peak   240 ! spec=13CARO, no=240, id=3283, vol=7.980000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name   HA) 2.391 0.715 0.715 weight 1.000 spectrum  2 peak   240 ! spec=13CARO, no=240, id=3283, vol=7.980000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name   HA) 2.391 0.715 0.715 weight 1.000 spectrum  2 peak   240 ! spec=13CARO, no=240, id=3283, vol=7.980000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HD#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   241 ! spec=13CARO, no=241, id=3284, vol=1.840000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HD#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   241 ! spec=13CARO, no=241, id=3284, vol=1.840000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HD#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   241 ! spec=13CARO, no=241, id=3284, vol=1.840000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HD#) 3.054 1.166 1.166 weight 1.000 spectrum  2 peak   241 ! spec=13CARO, no=241, id=3284, vol=1.840000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   15 and name  HB#) 3.358 1.410 1.410 weight 1.000 spectrum  2 peak   243 ! spec=13CARO, no=243, id=3286, vol=1.040000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   15 and name  HB#) 3.358 1.410 1.410 weight 1.000 spectrum  2 peak   243 ! spec=13CARO, no=243, id=3286, vol=1.040000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   15 and name  HB#) 3.358 1.410 1.410 weight 1.000 spectrum  2 peak   243 ! spec=13CARO, no=243, id=3286, vol=1.040000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   15 and name  HB#) 3.358 1.410 1.410 weight 1.000 spectrum  2 peak   243 ! spec=13CARO, no=243, id=3286, vol=1.040000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   15 and name  HB#) 2.480 0.769 1.401 weight 1.000 spectrum  2 peak   244 ! spec=13CARO, no=244, id=3287, vol=6.410000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   15 and name  HB#) 2.480 0.769 1.401 weight 1.000 spectrum  2 peak   244 ! spec=13CARO, no=244, id=3287, vol=6.410000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   15 and name  HB#) 2.480 0.769 1.401 weight 1.000 spectrum  2 peak   244 ! spec=13CARO, no=244, id=3287, vol=6.410000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   15 and name  HB#) 2.480 0.769 1.401 weight 1.000 spectrum  2 peak   244 ! spec=13CARO, no=244, id=3287, vol=6.410000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   247 ! spec=13CARO, no=247, id=3290, vol=1.060000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   247 ! spec=13CARO, no=247, id=3290, vol=1.060000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   247 ! spec=13CARO, no=247, id=3290, vol=1.060000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HG#) 3.348 1.401 1.401 weight 1.000 spectrum  2 peak   247 ! spec=13CARO, no=247, id=3290, vol=1.060000e+05
assign (segid "   A" and resid    5 and name  HE#) (segid "   B" and resid   12 and name  HG#) 3.166 3.166 2.834 weight 1.000 spectrum  2 peak   248 ! spec=13CARO, no=248, id=3291, vol=1.480000e+05
assign (segid "   B" and resid    5 and name  HE#) (segid "   A" and resid   12 and name  HG#) 3.166 3.166 2.834 weight 1.000 spectrum  2 peak   248 ! spec=13CARO, no=248, id=3291, vol=1.480000e+05
assign (segid "   C" and resid    5 and name  HE#) (segid "   D" and resid   12 and name  HG#) 3.166 3.166 2.834 weight 1.000 spectrum  2 peak   248 ! spec=13CARO, no=248, id=3291, vol=1.480000e+05
assign (segid "   D" and resid    5 and name  HE#) (segid "   C" and resid   12 and name  HG#) 3.166 3.166 2.834 weight 1.000 spectrum  2 peak   248 ! spec=13CARO, no=248, id=3291, vol=1.480000e+05
assign (segid "   A" and resid   39 and name  HE#) (segid "   A" and resid   36 and name   HA) 3.560 1.584 2.173 weight 1.000 spectrum  2 peak   252 ! spec=13CARO, no=252, id=3295, vol=7.330000e+04
assign (segid "   B" and resid   39 and name  HE#) (segid "   B" and resid   36 and name   HA) 3.560 1.584 2.173 weight 1.000 spectrum  2 peak   252 ! spec=13CARO, no=252, id=3295, vol=7.330000e+04
assign (segid "   C" and resid   39 and name  HE#) (segid "   C" and resid   36 and name   HA) 3.560 1.584 2.173 weight 1.000 spectrum  2 peak   252 ! spec=13CARO, no=252, id=3295, vol=7.330000e+04
assign (segid "   D" and resid   39 and name  HE#) (segid "   D" and resid   36 and name   HA) 3.560 1.584 2.173 weight 1.000 spectrum  2 peak   252 ! spec=13CARO, no=252, id=3295, vol=7.330000e+04
assign (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   27 and name   HG) 3.152 1.242 1.242 weight 1.000 spectrum  2 peak   263 ! spec=13CARO, no=263, id=3302, vol=1.520000e+05
assign (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   27 and name   HG) 3.152 1.242 1.242 weight 1.000 spectrum  2 peak   263 ! spec=13CARO, no=263, id=3302, vol=1.520000e+05
assign (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   27 and name   HG) 3.152 1.242 1.242 weight 1.000 spectrum  2 peak   263 ! spec=13CARO, no=263, id=3302, vol=1.520000e+05
assign (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   27 and name   HG) 3.152 1.242 1.242 weight 1.000 spectrum  2 peak   263 ! spec=13CARO, no=263, id=3302, vol=1.520000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name  HE#) 3.452 3.452 2.742 weight 1.000 spectrum  2 peak   270 ! spec=13CARO, no=270, id=3304, vol=8.810000e+04
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name  HE#) 3.452 3.452 2.742 weight 1.000 spectrum  2 peak   270 ! spec=13CARO, no=270, id=3304, vol=8.810000e+04
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name  HE#) 3.452 3.452 2.742 weight 1.000 spectrum  2 peak   270 ! spec=13CARO, no=270, id=3304, vol=8.810000e+04
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name  HE#) 3.452 3.452 2.742 weight 1.000 spectrum  2 peak   270 ! spec=13CARO, no=270, id=3304, vol=8.810000e+04
assign (segid "   A" and resid    8 and name HE2#) (segid "   B" and resid    4 and name HG2#) 2.624 0.861 0.861 weight 1.000 spectrum  2 peak   276 ! spec=13CARO, no=276, id=3306, vol=4.570000e+05
assign (segid "   B" and resid    8 and name HE2#) (segid "   A" and resid    4 and name HG2#) 2.624 0.861 0.861 weight 1.000 spectrum  2 peak   276 ! spec=13CARO, no=276, id=3306, vol=4.570000e+05
assign (segid "   C" and resid    8 and name HE2#) (segid "   D" and resid    4 and name HG2#) 2.624 0.861 0.861 weight 1.000 spectrum  2 peak   276 ! spec=13CARO, no=276, id=3306, vol=4.570000e+05
assign (segid "   D" and resid    8 and name HE2#) (segid "   C" and resid    4 and name HG2#) 2.624 0.861 0.861 weight 1.000 spectrum  2 peak   276 ! spec=13CARO, no=276, id=3306, vol=4.570000e+05
assign (segid "   A" and resid   39 and name  HD#) (segid "   C" and resid   27 and name   HG) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   280 ! spec=13CARO, no=280, id=3307, vol=1.240000e+05
assign (segid "   B" and resid   39 and name  HD#) (segid "   D" and resid   27 and name   HG) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   280 ! spec=13CARO, no=280, id=3307, vol=1.240000e+05
assign (segid "   C" and resid   39 and name  HD#) (segid "   A" and resid   27 and name   HG) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   280 ! spec=13CARO, no=280, id=3307, vol=1.240000e+05
assign (segid "   D" and resid   39 and name  HD#) (segid "   B" and resid   27 and name   HG) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   280 ! spec=13CARO, no=280, id=3307, vol=1.240000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name   HA) 2.393 0.716 0.716 weight 1.000 spectrum  2 peak   292 ! spec=13CARO, no=292, id=3319, vol=7.940000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name   HA) 2.393 0.716 0.716 weight 1.000 spectrum  2 peak   292 ! spec=13CARO, no=292, id=3319, vol=7.940000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name   HA) 2.393 0.716 0.716 weight 1.000 spectrum  2 peak   292 ! spec=13CARO, no=292, id=3319, vol=7.940000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name   HA) 2.393 0.716 0.716 weight 1.000 spectrum  2 peak   292 ! spec=13CARO, no=292, id=3319, vol=7.940000e+05
assign (segid "   A" and resid    7 and name   HG) (segid "   A" and resid    7 and name   HA) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   293 ! spec=13CARO, no=293, id=3320, vol=4.460000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   B" and resid    7 and name   HA) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   293 ! spec=13CARO, no=293, id=3320, vol=4.460000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   C" and resid    7 and name   HA) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   293 ! spec=13CARO, no=293, id=3320, vol=4.460000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   D" and resid    7 and name   HA) 2.635 0.868 0.868 weight 1.000 spectrum  2 peak   293 ! spec=13CARO, no=293, id=3320, vol=4.460000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name   HA) 2.337 0.683 0.683 weight 1.000 spectrum  2 peak   294 ! spec=13CARO, no=294, id=3321, vol=9.150000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name   HA) 2.337 0.683 0.683 weight 1.000 spectrum  2 peak   294 ! spec=13CARO, no=294, id=3321, vol=9.150000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name   HA) 2.337 0.683 0.683 weight 1.000 spectrum  2 peak   294 ! spec=13CARO, no=294, id=3321, vol=9.150000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name   HA) 2.337 0.683 0.683 weight 1.000 spectrum  2 peak   294 ! spec=13CARO, no=294, id=3321, vol=9.150000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    9 and name   HA) 2.243 0.629 0.758 weight 1.000 spectrum  2 peak   315 ! spec=13CARO, no=315, id=3340, vol=1.170000e+06
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid    9 and name   HA) 2.243 0.629 0.758 weight 1.000 spectrum  2 peak   315 ! spec=13CARO, no=315, id=3340, vol=1.170000e+06
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid    9 and name   HA) 2.243 0.629 0.758 weight 1.000 spectrum  2 peak   315 ! spec=13CARO, no=315, id=3340, vol=1.170000e+06
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid    9 and name   HA) 2.243 0.629 0.758 weight 1.000 spectrum  2 peak   315 ! spec=13CARO, no=315, id=3340, vol=1.170000e+06
assign (segid "   A" and resid    9 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.792 0.974 0.974 weight 1.000 spectrum  2 peak   327 ! spec=13CARO, no=327, id=3348, vol=3.150000e+05
assign (segid "   B" and resid    9 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.792 0.974 0.974 weight 1.000 spectrum  2 peak   327 ! spec=13CARO, no=327, id=3348, vol=3.150000e+05
assign (segid "   C" and resid    9 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.792 0.974 0.974 weight 1.000 spectrum  2 peak   327 ! spec=13CARO, no=327, id=3348, vol=3.150000e+05
assign (segid "   D" and resid    9 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.792 0.974 0.974 weight 1.000 spectrum  2 peak   327 ! spec=13CARO, no=327, id=3348, vol=3.150000e+05
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    4 and name HG2#) 2.501 0.782 0.782 weight 1.000 spectrum  2 peak   333 ! spec=13CARO, no=333, id=3350, vol=6.090000e+05
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    4 and name HG2#) 2.501 0.782 0.782 weight 1.000 spectrum  2 peak   333 ! spec=13CARO, no=333, id=3350, vol=6.090000e+05
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    4 and name HG2#) 2.501 0.782 0.782 weight 1.000 spectrum  2 peak   333 ! spec=13CARO, no=333, id=3350, vol=6.090000e+05
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    4 and name HG2#) 2.501 0.782 0.782 weight 1.000 spectrum  2 peak   333 ! spec=13CARO, no=333, id=3350, vol=6.090000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    4 and name HG2#) 3.029 3.029 2.971 weight 1.000 spectrum  2 peak   342 ! spec=13CARO, no=342, id=3353, vol=1.930000e+05
assign (segid "   B" and resid    6 and name   HA) (segid "   B" and resid    4 and name HG2#) 3.029 3.029 2.971 weight 1.000 spectrum  2 peak   342 ! spec=13CARO, no=342, id=3353, vol=1.930000e+05
assign (segid "   C" and resid    6 and name   HA) (segid "   C" and resid    4 and name HG2#) 3.029 3.029 2.971 weight 1.000 spectrum  2 peak   342 ! spec=13CARO, no=342, id=3353, vol=1.930000e+05
assign (segid "   D" and resid    6 and name   HA) (segid "   D" and resid    4 and name HG2#) 3.029 3.029 2.971 weight 1.000 spectrum  2 peak   342 ! spec=13CARO, no=342, id=3353, vol=1.930000e+05
assign (segid "   A" and resid   15 and name  HD#) (segid "   B" and resid    5 and name  HE#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   358 ! spec=13CARO, no=358, id=3355, vol=3.930000e+05
assign (segid "   B" and resid   15 and name  HD#) (segid "   A" and resid    5 and name  HE#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   358 ! spec=13CARO, no=358, id=3355, vol=3.930000e+05
assign (segid "   C" and resid   15 and name  HD#) (segid "   D" and resid    5 and name  HE#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   358 ! spec=13CARO, no=358, id=3355, vol=3.930000e+05
assign (segid "   D" and resid   15 and name  HD#) (segid "   C" and resid    5 and name  HE#) 2.691 0.905 0.905 weight 1.000 spectrum  2 peak   358 ! spec=13CARO, no=358, id=3355, vol=3.930000e+05
assign (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    5 and name  HE#) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   361 ! spec=13CARO, no=361, id=3357, vol=1.800000e+05
assign (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    5 and name  HE#) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   361 ! spec=13CARO, no=361, id=3357, vol=1.800000e+05
assign (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    5 and name  HE#) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   361 ! spec=13CARO, no=361, id=3357, vol=1.800000e+05
assign (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    5 and name  HE#) 3.065 1.174 1.174 weight 1.000 spectrum  2 peak   361 ! spec=13CARO, no=361, id=3357, vol=1.800000e+05
assign (segid "   A" and resid   15 and name   HZ) (segid "   B" and resid    5 and name  HD#) 3.170 1.256 1.256 weight 1.000 spectrum  2 peak   362 ! spec=13CARO, no=362, id=3358, vol=1.470000e+05
assign (segid "   B" and resid   15 and name   HZ) (segid "   A" and resid    5 and name  HD#) 3.170 1.256 1.256 weight 1.000 spectrum  2 peak   362 ! spec=13CARO, no=362, id=3358, vol=1.470000e+05
assign (segid "   C" and resid   15 and name   HZ) (segid "   D" and resid    5 and name  HD#) 3.170 1.256 1.256 weight 1.000 spectrum  2 peak   362 ! spec=13CARO, no=362, id=3358, vol=1.470000e+05
assign (segid "   D" and resid   15 and name   HZ) (segid "   C" and resid    5 and name  HD#) 3.170 1.256 1.256 weight 1.000 spectrum  2 peak   362 ! spec=13CARO, no=362, id=3358, vol=1.470000e+05
assign (segid "   A" and resid   15 and name   HZ) (segid "   B" and resid    5 and name  HE#) 3.802 1.807 2.337 weight 1.000 spectrum  2 peak   363 ! spec=13CARO, no=363, id=3359, vol=4.940000e+04
assign (segid "   B" and resid   15 and name   HZ) (segid "   A" and resid    5 and name  HE#) 3.802 1.807 2.337 weight 1.000 spectrum  2 peak   363 ! spec=13CARO, no=363, id=3359, vol=4.940000e+04
assign (segid "   C" and resid   15 and name   HZ) (segid "   D" and resid    5 and name  HE#) 3.802 1.807 2.337 weight 1.000 spectrum  2 peak   363 ! spec=13CARO, no=363, id=3359, vol=4.940000e+04
assign (segid "   D" and resid   15 and name   HZ) (segid "   C" and resid    5 and name  HE#) 3.802 1.807 2.337 weight 1.000 spectrum  2 peak   363 ! spec=13CARO, no=363, id=3359, vol=4.940000e+04
assign (segid "   A" and resid   15 and name   HZ) (segid "   A" and resid   15 and name  HD#) 2.482 2.482 3.518 weight 1.000 spectrum  2 peak   364 ! spec=13CARO, no=364, id=3360, vol=6.380000e+05
assign (segid "   B" and resid   15 and name   HZ) (segid "   B" and resid   15 and name  HD#) 2.482 2.482 3.518 weight 1.000 spectrum  2 peak   364 ! spec=13CARO, no=364, id=3360, vol=6.380000e+05
assign (segid "   C" and resid   15 and name   HZ) (segid "   C" and resid   15 and name  HD#) 2.482 2.482 3.518 weight 1.000 spectrum  2 peak   364 ! spec=13CARO, no=364, id=3360, vol=6.380000e+05
assign (segid "   D" and resid   15 and name   HZ) (segid "   D" and resid   15 and name  HD#) 2.482 2.482 3.518 weight 1.000 spectrum  2 peak   364 ! spec=13CARO, no=364, id=3360, vol=6.380000e+05
assign (segid "   A" and resid   15 and name  HE#) (segid "   A" and resid   15 and name  HD#) 1.798 0.404 0.404 weight 1.000 spectrum  2 peak   365 ! spec=13CARO, no=365, id=3361, vol=4.420000e+06
assign (segid "   B" and resid   15 and name  HE#) (segid "   B" and resid   15 and name  HD#) 1.798 0.404 0.404 weight 1.000 spectrum  2 peak   365 ! spec=13CARO, no=365, id=3361, vol=4.420000e+06
assign (segid "   C" and resid   15 and name  HE#) (segid "   C" and resid   15 and name  HD#) 1.798 0.404 0.404 weight 1.000 spectrum  2 peak   365 ! spec=13CARO, no=365, id=3361, vol=4.420000e+06
assign (segid "   D" and resid   15 and name  HE#) (segid "   D" and resid   15 and name  HD#) 1.798 0.404 0.404 weight 1.000 spectrum  2 peak   365 ! spec=13CARO, no=365, id=3361, vol=4.420000e+06
assign (segid "   A" and resid   39 and name  HD#) (segid "   A" and resid   39 and name  HE#) 1.731 0.375 0.375 weight 1.000 spectrum  2 peak   366 ! spec=13CARO, no=366, id=3362, vol=5.540000e+06
assign (segid "   B" and resid   39 and name  HD#) (segid "   B" and resid   39 and name  HE#) 1.731 0.375 0.375 weight 1.000 spectrum  2 peak   366 ! spec=13CARO, no=366, id=3362, vol=5.540000e+06
assign (segid "   C" and resid   39 and name  HD#) (segid "   C" and resid   39 and name  HE#) 1.731 0.375 0.375 weight 1.000 spectrum  2 peak   366 ! spec=13CARO, no=366, id=3362, vol=5.540000e+06
assign (segid "   D" and resid   39 and name  HD#) (segid "   D" and resid   39 and name  HE#) 1.731 0.375 0.375 weight 1.000 spectrum  2 peak   366 ! spec=13CARO, no=366, id=3362, vol=5.540000e+06
assign (segid "   A" and resid    6 and name  HD#) (segid "   A" and resid    6 and name  HE#) 1.610 1.610 4.390 weight 1.000 spectrum  2 peak   367 ! spec=13CARO, no=367, id=3363, vol=8.580000e+06
assign (segid "   B" and resid    6 and name  HD#) (segid "   B" and resid    6 and name  HE#) 1.610 1.610 4.390 weight 1.000 spectrum  2 peak   367 ! spec=13CARO, no=367, id=3363, vol=8.580000e+06
assign (segid "   C" and resid    6 and name  HD#) (segid "   C" and resid    6 and name  HE#) 1.610 1.610 4.390 weight 1.000 spectrum  2 peak   367 ! spec=13CARO, no=367, id=3363, vol=8.580000e+06
assign (segid "   D" and resid    6 and name  HD#) (segid "   D" and resid    6 and name  HE#) 1.610 1.610 4.390 weight 1.000 spectrum  2 peak   367 ! spec=13CARO, no=367, id=3363, vol=8.580000e+06
assign (segid "   A" and resid   15 and name   HZ) (segid "   A" and resid   15 and name  HE#) 1.771 0.392 0.392 weight 1.000 spectrum  2 peak   372 ! spec=13CARO, no=372, id=3364, vol=4.840000e+06
assign (segid "   B" and resid   15 and name   HZ) (segid "   B" and resid   15 and name  HE#) 1.771 0.392 0.392 weight 1.000 spectrum  2 peak   372 ! spec=13CARO, no=372, id=3364, vol=4.840000e+06
assign (segid "   C" and resid   15 and name   HZ) (segid "   C" and resid   15 and name  HE#) 1.771 0.392 0.392 weight 1.000 spectrum  2 peak   372 ! spec=13CARO, no=372, id=3364, vol=4.840000e+06
assign (segid "   D" and resid   15 and name   HZ) (segid "   D" and resid   15 and name  HE#) 1.771 0.392 0.392 weight 1.000 spectrum  2 peak   372 ! spec=13CARO, no=372, id=3364, vol=4.840000e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name   HA) 2.777 0.964 0.964 weight 1.000 spectrum  2 peak   380 ! spec=13CARO, no=380, id=3370, vol=3.250000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   21 and name   HA) 2.777 0.964 0.964 weight 1.000 spectrum  2 peak   380 ! spec=13CARO, no=380, id=3370, vol=3.250000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name   HA) 2.777 0.964 0.964 weight 1.000 spectrum  2 peak   380 ! spec=13CARO, no=380, id=3370, vol=3.250000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name   HA) 2.777 0.964 0.964 weight 1.000 spectrum  2 peak   380 ! spec=13CARO, no=380, id=3370, vol=3.250000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   24 and name   HA) 3.449 1.487 1.487 weight 1.000 spectrum  2 peak   381 ! spec=13CARO, no=381, id=3371, vol=8.860000e+04
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   24 and name   HA) 3.449 1.487 1.487 weight 1.000 spectrum  2 peak   381 ! spec=13CARO, no=381, id=3371, vol=8.860000e+04
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   24 and name   HA) 3.449 1.487 1.487 weight 1.000 spectrum  2 peak   381 ! spec=13CARO, no=381, id=3371, vol=8.860000e+04
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   24 and name   HA) 3.449 1.487 1.487 weight 1.000 spectrum  2 peak   381 ! spec=13CARO, no=381, id=3371, vol=8.860000e+04
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HA) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   385 ! spec=13CARO, no=385, id=3375, vol=1.240000e+05
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   27 and name   HA) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   385 ! spec=13CARO, no=385, id=3375, vol=1.240000e+05
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name   HA) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   385 ! spec=13CARO, no=385, id=3375, vol=1.240000e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name   HA) 3.261 1.329 1.329 weight 1.000 spectrum  2 peak   385 ! spec=13CARO, no=385, id=3375, vol=1.240000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   18 and name   HA) 3.022 1.141 1.141 weight 1.000 spectrum  2 peak   386 ! spec=13CARO, no=386, id=3376, vol=1.960000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   18 and name   HA) 3.022 1.141 1.141 weight 1.000 spectrum  2 peak   386 ! spec=13CARO, no=386, id=3376, vol=1.960000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   18 and name   HA) 3.022 1.141 1.141 weight 1.000 spectrum  2 peak   386 ! spec=13CARO, no=386, id=3376, vol=1.960000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   18 and name   HA) 3.022 1.141 1.141 weight 1.000 spectrum  2 peak   386 ! spec=13CARO, no=386, id=3376, vol=1.960000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   395 ! spec=13CARO, no=395, id=3385, vol=3.440000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name   HA) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   395 ! spec=13CARO, no=395, id=3385, vol=3.440000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name   HA) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   395 ! spec=13CARO, no=395, id=3385, vol=3.440000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name   HA) 2.751 0.946 0.946 weight 1.000 spectrum  2 peak   395 ! spec=13CARO, no=395, id=3385, vol=3.440000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  2 peak   399 ! spec=13CARO, no=399, id=3389, vol=5.100000e+04
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   16 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  2 peak   399 ! spec=13CARO, no=399, id=3389, vol=5.100000e+04
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   16 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  2 peak   399 ! spec=13CARO, no=399, id=3389, vol=5.100000e+04
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   16 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  2 peak   399 ! spec=13CARO, no=399, id=3389, vol=5.100000e+04
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   15 and name  HE#) 3.584 3.584 2.416 weight 1.000 spectrum  2 peak   406 ! spec=13CARO, no=406, id=3396, vol=7.040000e+04
assign (segid "   B" and resid   12 and name   HA) (segid "   B" and resid   15 and name  HE#) 3.584 3.584 2.416 weight 1.000 spectrum  2 peak   406 ! spec=13CARO, no=406, id=3396, vol=7.040000e+04
assign (segid "   C" and resid   12 and name   HA) (segid "   C" and resid   15 and name  HE#) 3.584 3.584 2.416 weight 1.000 spectrum  2 peak   406 ! spec=13CARO, no=406, id=3396, vol=7.040000e+04
assign (segid "   D" and resid   12 and name   HA) (segid "   D" and resid   15 and name  HE#) 3.584 3.584 2.416 weight 1.000 spectrum  2 peak   406 ! spec=13CARO, no=406, id=3396, vol=7.040000e+04
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    4 and name   HB) 3.082 1.187 1.299 weight 1.000 spectrum  2 peak   410 ! spec=13CARO, no=410, id=3400, vol=1.740000e+05
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    4 and name   HB) 3.082 1.187 1.299 weight 1.000 spectrum  2 peak   410 ! spec=13CARO, no=410, id=3400, vol=1.740000e+05
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    4 and name   HB) 3.082 1.187 1.299 weight 1.000 spectrum  2 peak   410 ! spec=13CARO, no=410, id=3400, vol=1.740000e+05
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    4 and name   HB) 3.082 1.187 1.299 weight 1.000 spectrum  2 peak   410 ! spec=13CARO, no=410, id=3400, vol=1.740000e+05
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name   HB) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   411 ! spec=13CARO, no=411, id=3401, vol=1.160000e+06
assign (segid "   B" and resid    4 and name   HA) (segid "   B" and resid    4 and name   HB) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   411 ! spec=13CARO, no=411, id=3401, vol=1.160000e+06
assign (segid "   C" and resid    4 and name   HA) (segid "   C" and resid    4 and name   HB) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   411 ! spec=13CARO, no=411, id=3401, vol=1.160000e+06
assign (segid "   D" and resid    4 and name   HA) (segid "   D" and resid    4 and name   HB) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   411 ! spec=13CARO, no=411, id=3401, vol=1.160000e+06
assign (segid "   A" and resid   18 and name  HB#) (segid "   A" and resid   18 and name   HA) 2.442 0.745 0.745 weight 1.000 spectrum  2 peak   461 ! spec=13CARO, no=461, id=3415, vol=7.040000e+05
assign (segid "   B" and resid   18 and name  HB#) (segid "   B" and resid   18 and name   HA) 2.442 0.745 0.745 weight 1.000 spectrum  2 peak   461 ! spec=13CARO, no=461, id=3415, vol=7.040000e+05
assign (segid "   C" and resid   18 and name  HB#) (segid "   C" and resid   18 and name   HA) 2.442 0.745 0.745 weight 1.000 spectrum  2 peak   461 ! spec=13CARO, no=461, id=3415, vol=7.040000e+05
assign (segid "   D" and resid   18 and name  HB#) (segid "   D" and resid   18 and name   HA) 2.442 0.745 0.745 weight 1.000 spectrum  2 peak   461 ! spec=13CARO, no=461, id=3415, vol=7.040000e+05
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name   HA) 2.284 0.652 0.652 weight 1.000 spectrum  2 peak   462 ! spec=13CARO, no=462, id=3416, vol=1.050000e+06
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name   HA) 2.284 0.652 0.652 weight 1.000 spectrum  2 peak   462 ! spec=13CARO, no=462, id=3416, vol=1.050000e+06
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name   HA) 2.284 0.652 0.652 weight 1.000 spectrum  2 peak   462 ! spec=13CARO, no=462, id=3416, vol=1.050000e+06
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name   HA) 2.284 0.652 0.652 weight 1.000 spectrum  2 peak   462 ! spec=13CARO, no=462, id=3416, vol=1.050000e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   17 and name HG2#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak   467 ! spec=13CARO, no=467, id=3419, vol=5.680000e+05
assign (segid "   B" and resid   18 and name   HA) (segid "   B" and resid   17 and name HG2#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak   467 ! spec=13CARO, no=467, id=3419, vol=5.680000e+05
assign (segid "   C" and resid   18 and name   HA) (segid "   C" and resid   17 and name HG2#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak   467 ! spec=13CARO, no=467, id=3419, vol=5.680000e+05
assign (segid "   D" and resid   18 and name   HA) (segid "   D" and resid   17 and name HG2#) 2.531 0.801 0.801 weight 1.000 spectrum  2 peak   467 ! spec=13CARO, no=467, id=3419, vol=5.680000e+05
assign (segid "   A" and resid   14 and name   HA) (segid "   A" and resid   17 and name HG1#) 3.348 1.401 1.901 weight 1.000 spectrum  2 peak   481 ! spec=13CARO, no=481, id=3426, vol=1.060000e+05
assign (segid "   B" and resid   14 and name   HA) (segid "   B" and resid   17 and name HG1#) 3.348 1.401 1.901 weight 1.000 spectrum  2 peak   481 ! spec=13CARO, no=481, id=3426, vol=1.060000e+05
assign (segid "   C" and resid   14 and name   HA) (segid "   C" and resid   17 and name HG1#) 3.348 1.401 1.901 weight 1.000 spectrum  2 peak   481 ! spec=13CARO, no=481, id=3426, vol=1.060000e+05
assign (segid "   D" and resid   14 and name   HA) (segid "   D" and resid   17 and name HG1#) 3.348 1.401 1.901 weight 1.000 spectrum  2 peak   481 ! spec=13CARO, no=481, id=3426, vol=1.060000e+05
assign (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   21 and name   HA) 2.576 0.830 0.830 weight 1.000 spectrum  2 peak   483 ! spec=13CARO, no=483, id=3428, vol=5.100000e+05
assign (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   21 and name   HA) 2.576 0.830 0.830 weight 1.000 spectrum  2 peak   483 ! spec=13CARO, no=483, id=3428, vol=5.100000e+05
assign (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   21 and name   HA) 2.576 0.830 0.830 weight 1.000 spectrum  2 peak   483 ! spec=13CARO, no=483, id=3428, vol=5.100000e+05
assign (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   21 and name   HA) 2.576 0.830 0.830 weight 1.000 spectrum  2 peak   483 ! spec=13CARO, no=483, id=3428, vol=5.100000e+05
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   25 and name  HB#) 2.365 0.699 0.699 weight 1.000 spectrum  2 peak   516 ! spec=13CARO, no=516, id=3434, vol=8.530000e+05
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   25 and name  HB#) 2.365 0.699 0.699 weight 1.000 spectrum  2 peak   516 ! spec=13CARO, no=516, id=3434, vol=8.530000e+05
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   25 and name  HB#) 2.365 0.699 0.699 weight 1.000 spectrum  2 peak   516 ! spec=13CARO, no=516, id=3434, vol=8.530000e+05
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   25 and name  HB#) 2.365 0.699 0.699 weight 1.000 spectrum  2 peak   516 ! spec=13CARO, no=516, id=3434, vol=8.530000e+05
assign (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   25 and name  HB#) 2.623 0.860 0.860 weight 1.000 spectrum  2 peak   517 ! spec=13CARO, no=517, id=3435, vol=4.580000e+05
assign (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   25 and name  HB#) 2.623 0.860 0.860 weight 1.000 spectrum  2 peak   517 ! spec=13CARO, no=517, id=3435, vol=4.580000e+05
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name  HB#) 2.623 0.860 0.860 weight 1.000 spectrum  2 peak   517 ! spec=13CARO, no=517, id=3435, vol=4.580000e+05
assign (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   25 and name  HB#) 2.623 0.860 0.860 weight 1.000 spectrum  2 peak   517 ! spec=13CARO, no=517, id=3435, vol=4.580000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HE#) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   546 ! spec=13CARO, no=546, id=3453, vol=2.020000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HE#) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   546 ! spec=13CARO, no=546, id=3453, vol=2.020000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HE#) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   546 ! spec=13CARO, no=546, id=3453, vol=2.020000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HE#) 3.006 1.130 1.130 weight 1.000 spectrum  2 peak   546 ! spec=13CARO, no=546, id=3453, vol=2.020000e+05
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  2 peak   554 ! spec=13CARO, no=554, id=3461, vol=1.460000e+06
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  2 peak   554 ! spec=13CARO, no=554, id=3461, vol=1.460000e+06
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  2 peak   554 ! spec=13CARO, no=554, id=3461, vol=1.460000e+06
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name  HB#) 2.162 0.584 0.584 weight 1.000 spectrum  2 peak   554 ! spec=13CARO, no=554, id=3461, vol=1.460000e+06
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name  HG#) 2.250 0.633 0.633 weight 1.000 spectrum  2 peak   555 ! spec=13CARO, no=555, id=3462, vol=1.150000e+06
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name  HG#) 2.250 0.633 0.633 weight 1.000 spectrum  2 peak   555 ! spec=13CARO, no=555, id=3462, vol=1.150000e+06
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name  HG#) 2.250 0.633 0.633 weight 1.000 spectrum  2 peak   555 ! spec=13CARO, no=555, id=3462, vol=1.150000e+06
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name  HG#) 2.250 0.633 0.633 weight 1.000 spectrum  2 peak   555 ! spec=13CARO, no=555, id=3462, vol=1.150000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name   HA) 2.540 0.806 0.806 weight 1.000 spectrum  2 peak   560 ! spec=13CARO, no=560, id=3467, vol=5.560000e+05
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name   HA) 2.540 0.806 0.806 weight 1.000 spectrum  2 peak   560 ! spec=13CARO, no=560, id=3467, vol=5.560000e+05
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name   HA) 2.540 0.806 0.806 weight 1.000 spectrum  2 peak   560 ! spec=13CARO, no=560, id=3467, vol=5.560000e+05
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name   HA) 2.540 0.806 0.806 weight 1.000 spectrum  2 peak   560 ! spec=13CARO, no=560, id=3467, vol=5.560000e+05
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   16 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   561 ! spec=13CARO, no=561, id=3468, vol=1.230000e+06
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   16 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   561 ! spec=13CARO, no=561, id=3468, vol=1.230000e+06
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   16 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   561 ! spec=13CARO, no=561, id=3468, vol=1.230000e+06
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   16 and name   HA) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   561 ! spec=13CARO, no=561, id=3468, vol=1.230000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name   HA) 2.312 0.668 0.668 weight 1.000 spectrum  2 peak   564 ! spec=13CARO, no=564, id=3471, vol=9.780000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name   HA) 2.312 0.668 0.668 weight 1.000 spectrum  2 peak   564 ! spec=13CARO, no=564, id=3471, vol=9.780000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name   HA) 2.312 0.668 0.668 weight 1.000 spectrum  2 peak   564 ! spec=13CARO, no=564, id=3471, vol=9.780000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name   HA) 2.312 0.668 0.668 weight 1.000 spectrum  2 peak   564 ! spec=13CARO, no=564, id=3471, vol=9.780000e+05
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name   HA) 2.361 0.697 0.697 weight 1.000 spectrum  2 peak   565 ! spec=13CARO, no=565, id=3472, vol=8.610000e+05
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name   HA) 2.361 0.697 0.697 weight 1.000 spectrum  2 peak   565 ! spec=13CARO, no=565, id=3472, vol=8.610000e+05
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name   HA) 2.361 0.697 0.697 weight 1.000 spectrum  2 peak   565 ! spec=13CARO, no=565, id=3472, vol=8.610000e+05
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name   HA) 2.361 0.697 0.697 weight 1.000 spectrum  2 peak   565 ! spec=13CARO, no=565, id=3472, vol=8.610000e+05
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   29 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  2 peak   584 ! spec=13CARO, no=584, id=3491, vol=1.390000e+06
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   29 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  2 peak   584 ! spec=13CARO, no=584, id=3491, vol=1.390000e+06
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   29 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  2 peak   584 ! spec=13CARO, no=584, id=3491, vol=1.390000e+06
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   29 and name   HA) 2.180 0.594 0.594 weight 1.000 spectrum  2 peak   584 ! spec=13CARO, no=584, id=3491, vol=1.390000e+06
assign (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   30 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   586 ! spec=13CARO, no=586, id=3493, vol=1.020000e+06
assign (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   30 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   586 ! spec=13CARO, no=586, id=3493, vol=1.020000e+06
assign (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   30 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   586 ! spec=13CARO, no=586, id=3493, vol=1.020000e+06
assign (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   30 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   586 ! spec=13CARO, no=586, id=3493, vol=1.020000e+06
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   25 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   600 ! spec=13CARO, no=600, id=3507, vol=4.780000e+05
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   25 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   600 ! spec=13CARO, no=600, id=3507, vol=4.780000e+05
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   25 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   600 ! spec=13CARO, no=600, id=3507, vol=4.780000e+05
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   25 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  2 peak   600 ! spec=13CARO, no=600, id=3507, vol=4.780000e+05
assign (segid "   A" and resid   25 and name   HG) (segid "   A" and resid   25 and name   HA) 2.528 0.799 0.799 weight 1.000 spectrum  2 peak   602 ! spec=13CARO, no=602, id=3509, vol=5.720000e+05
assign (segid "   B" and resid   25 and name   HG) (segid "   B" and resid   25 and name   HA) 2.528 0.799 0.799 weight 1.000 spectrum  2 peak   602 ! spec=13CARO, no=602, id=3509, vol=5.720000e+05
assign (segid "   C" and resid   25 and name   HG) (segid "   C" and resid   25 and name   HA) 2.528 0.799 0.799 weight 1.000 spectrum  2 peak   602 ! spec=13CARO, no=602, id=3509, vol=5.720000e+05
assign (segid "   D" and resid   25 and name   HG) (segid "   D" and resid   25 and name   HA) 2.528 0.799 0.799 weight 1.000 spectrum  2 peak   602 ! spec=13CARO, no=602, id=3509, vol=5.720000e+05
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 spectrum  2 peak   603 ! spec=13CARO, no=603, id=3510, vol=4.320000e+05
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 spectrum  2 peak   603 ! spec=13CARO, no=603, id=3510, vol=4.320000e+05
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 spectrum  2 peak   603 ! spec=13CARO, no=603, id=3510, vol=4.320000e+05
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   25 and name   HA) 2.649 0.877 0.877 weight 1.000 spectrum  2 peak   603 ! spec=13CARO, no=603, id=3510, vol=4.320000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  2 peak   606 ! spec=13CARO, no=606, id=3513, vol=1.500000e+06
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  2 peak   606 ! spec=13CARO, no=606, id=3513, vol=1.500000e+06
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  2 peak   606 ! spec=13CARO, no=606, id=3513, vol=1.500000e+06
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name   HA) 2.152 0.579 0.579 weight 1.000 spectrum  2 peak   606 ! spec=13CARO, no=606, id=3513, vol=1.500000e+06
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   47 and name   HA) 2.127 2.127 3.873 weight 1.000 spectrum  2 peak   607 ! spec=13CARO, no=607, id=3514, vol=1.610000e+06
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   47 and name   HA) 2.127 2.127 3.873 weight 1.000 spectrum  2 peak   607 ! spec=13CARO, no=607, id=3514, vol=1.610000e+06
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   47 and name   HA) 2.127 2.127 3.873 weight 1.000 spectrum  2 peak   607 ! spec=13CARO, no=607, id=3514, vol=1.610000e+06
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   47 and name   HA) 2.127 2.127 3.873 weight 1.000 spectrum  2 peak   607 ! spec=13CARO, no=607, id=3514, vol=1.610000e+06
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   34 and name   HA) 2.434 2.434 3.566 weight 1.000 spectrum  2 peak   609 ! spec=13CARO, no=609, id=3516, vol=7.170000e+05
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   34 and name   HA) 2.434 2.434 3.566 weight 1.000 spectrum  2 peak   609 ! spec=13CARO, no=609, id=3516, vol=7.170000e+05
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   34 and name   HA) 2.434 2.434 3.566 weight 1.000 spectrum  2 peak   609 ! spec=13CARO, no=609, id=3516, vol=7.170000e+05
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   34 and name   HA) 2.434 2.434 3.566 weight 1.000 spectrum  2 peak   609 ! spec=13CARO, no=609, id=3516, vol=7.170000e+05
assign (segid "   A" and resid   34 and name   HA) (segid "   A" and resid   37 and name  HB#) 2.614 2.614 3.386 weight 1.000 spectrum  2 peak   610 ! spec=13CARO, no=610, id=3517, vol=4.680000e+05
assign (segid "   B" and resid   34 and name   HA) (segid "   B" and resid   37 and name  HB#) 2.614 2.614 3.386 weight 1.000 spectrum  2 peak   610 ! spec=13CARO, no=610, id=3517, vol=4.680000e+05
assign (segid "   C" and resid   34 and name   HA) (segid "   C" and resid   37 and name  HB#) 2.614 2.614 3.386 weight 1.000 spectrum  2 peak   610 ! spec=13CARO, no=610, id=3517, vol=4.680000e+05
assign (segid "   D" and resid   34 and name   HA) (segid "   D" and resid   37 and name  HB#) 2.614 2.614 3.386 weight 1.000 spectrum  2 peak   610 ! spec=13CARO, no=610, id=3517, vol=4.680000e+05
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   37 and name   HA) 2.396 0.717 0.717 weight 1.000 spectrum  2 peak   611 ! spec=13CARO, no=611, id=3518, vol=7.890000e+05
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   37 and name   HA) 2.396 0.717 0.717 weight 1.000 spectrum  2 peak   611 ! spec=13CARO, no=611, id=3518, vol=7.890000e+05
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   37 and name   HA) 2.396 0.717 0.717 weight 1.000 spectrum  2 peak   611 ! spec=13CARO, no=611, id=3518, vol=7.890000e+05
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   37 and name   HA) 2.396 0.717 0.717 weight 1.000 spectrum  2 peak   611 ! spec=13CARO, no=611, id=3518, vol=7.890000e+05
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   37 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  2 peak   612 ! spec=13CARO, no=612, id=3519, vol=1.260000e+06
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   37 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  2 peak   612 ! spec=13CARO, no=612, id=3519, vol=1.260000e+06
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   37 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  2 peak   612 ! spec=13CARO, no=612, id=3519, vol=1.260000e+06
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   37 and name   HA) 2.216 0.614 0.614 weight 1.000 spectrum  2 peak   612 ! spec=13CARO, no=612, id=3519, vol=1.260000e+06
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   15 and name   HA) 2.678 0.897 0.897 weight 1.000 spectrum  2 peak   628 ! spec=13CARO, no=628, id=3535, vol=4.040000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   15 and name   HA) 2.678 0.897 0.897 weight 1.000 spectrum  2 peak   628 ! spec=13CARO, no=628, id=3535, vol=4.040000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   15 and name   HA) 2.678 0.897 0.897 weight 1.000 spectrum  2 peak   628 ! spec=13CARO, no=628, id=3535, vol=4.040000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   15 and name   HA) 2.678 0.897 0.897 weight 1.000 spectrum  2 peak   628 ! spec=13CARO, no=628, id=3535, vol=4.040000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   15 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  2 peak   630 ! spec=13CARO, no=630, id=3537, vol=6.310000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   15 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  2 peak   630 ! spec=13CARO, no=630, id=3537, vol=6.310000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   15 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  2 peak   630 ! spec=13CARO, no=630, id=3537, vol=6.310000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   15 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  2 peak   630 ! spec=13CARO, no=630, id=3537, vol=6.310000e+05
assign (segid "   A" and resid   24 and name  HB#) (segid "   C" and resid   28 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  2 peak   634 ! spec=13CARO, no=634, id=3541, vol=1.090000e+05
assign (segid "   B" and resid   24 and name  HB#) (segid "   D" and resid   28 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  2 peak   634 ! spec=13CARO, no=634, id=3541, vol=1.090000e+05
assign (segid "   C" and resid   24 and name  HB#) (segid "   A" and resid   28 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  2 peak   634 ! spec=13CARO, no=634, id=3541, vol=1.090000e+05
assign (segid "   D" and resid   24 and name  HB#) (segid "   B" and resid   28 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  2 peak   634 ! spec=13CARO, no=634, id=3541, vol=1.090000e+05
assign (segid "   A" and resid   35 and name   HA) (segid "   A" and resid   38 and name  HB#) 2.314 0.669 0.669 weight 1.000 spectrum  2 peak   639 ! spec=13CARO, no=639, id=3546, vol=9.720000e+05
assign (segid "   B" and resid   35 and name   HA) (segid "   B" and resid   38 and name  HB#) 2.314 0.669 0.669 weight 1.000 spectrum  2 peak   639 ! spec=13CARO, no=639, id=3546, vol=9.720000e+05
assign (segid "   C" and resid   35 and name   HA) (segid "   C" and resid   38 and name  HB#) 2.314 0.669 0.669 weight 1.000 spectrum  2 peak   639 ! spec=13CARO, no=639, id=3546, vol=9.720000e+05
assign (segid "   D" and resid   35 and name   HA) (segid "   D" and resid   38 and name  HB#) 2.314 0.669 0.669 weight 1.000 spectrum  2 peak   639 ! spec=13CARO, no=639, id=3546, vol=9.720000e+05
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB#) 2.257 0.636 0.636 weight 1.000 spectrum  2 peak   640 ! spec=13CARO, no=640, id=3547, vol=1.130000e+06
assign (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   24 and name  HB#) 2.257 0.636 0.636 weight 1.000 spectrum  2 peak   640 ! spec=13CARO, no=640, id=3547, vol=1.130000e+06
assign (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   24 and name  HB#) 2.257 0.636 0.636 weight 1.000 spectrum  2 peak   640 ! spec=13CARO, no=640, id=3547, vol=1.130000e+06
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   24 and name  HB#) 2.257 0.636 0.636 weight 1.000 spectrum  2 peak   640 ! spec=13CARO, no=640, id=3547, vol=1.130000e+06
assign (segid "   A" and resid   24 and name   HA) (segid "   A" and resid   24 and name  HB#) 2.281 0.650 0.650 weight 1.000 spectrum  2 peak   641 ! spec=13CARO, no=641, id=3548, vol=1.060000e+06
assign (segid "   B" and resid   24 and name   HA) (segid "   B" and resid   24 and name  HB#) 2.281 0.650 0.650 weight 1.000 spectrum  2 peak   641 ! spec=13CARO, no=641, id=3548, vol=1.060000e+06
assign (segid "   C" and resid   24 and name   HA) (segid "   C" and resid   24 and name  HB#) 2.281 0.650 0.650 weight 1.000 spectrum  2 peak   641 ! spec=13CARO, no=641, id=3548, vol=1.060000e+06
assign (segid "   D" and resid   24 and name   HA) (segid "   D" and resid   24 and name  HB#) 2.281 0.650 0.650 weight 1.000 spectrum  2 peak   641 ! spec=13CARO, no=641, id=3548, vol=1.060000e+06
assign (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   31 and name   HA) 2.237 0.626 0.626 weight 1.000 spectrum  2 peak   642 ! spec=13CARO, no=642, id=3549, vol=1.190000e+06
assign (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   31 and name   HA) 2.237 0.626 0.626 weight 1.000 spectrum  2 peak   642 ! spec=13CARO, no=642, id=3549, vol=1.190000e+06
assign (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   31 and name   HA) 2.237 0.626 0.626 weight 1.000 spectrum  2 peak   642 ! spec=13CARO, no=642, id=3549, vol=1.190000e+06
assign (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   31 and name   HA) 2.237 0.626 0.626 weight 1.000 spectrum  2 peak   642 ! spec=13CARO, no=642, id=3549, vol=1.190000e+06
assign (segid "   A" and resid   32 and name  HD#) (segid "   A" and resid   32 and name  HD#) 2.277 0.648 0.648 weight 1.000 spectrum  2 peak   643 ! spec=13CARO, no=643, id=3550, vol=1.070000e+06
assign (segid "   B" and resid   32 and name  HD#) (segid "   B" and resid   32 and name  HD#) 2.277 0.648 0.648 weight 1.000 spectrum  2 peak   643 ! spec=13CARO, no=643, id=3550, vol=1.070000e+06
assign (segid "   C" and resid   32 and name  HD#) (segid "   C" and resid   32 and name  HD#) 2.277 0.648 0.648 weight 1.000 spectrum  2 peak   643 ! spec=13CARO, no=643, id=3550, vol=1.070000e+06
assign (segid "   D" and resid   32 and name  HD#) (segid "   D" and resid   32 and name  HD#) 2.277 0.648 0.648 weight 1.000 spectrum  2 peak   643 ! spec=13CARO, no=643, id=3550, vol=1.070000e+06
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   646 ! spec=13CARO, no=646, id=3553, vol=1.020000e+06
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   646 ! spec=13CARO, no=646, id=3553, vol=1.020000e+06
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   646 ! spec=13CARO, no=646, id=3553, vol=1.020000e+06
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name   HA) 2.295 0.659 0.659 weight 1.000 spectrum  2 peak   646 ! spec=13CARO, no=646, id=3553, vol=1.020000e+06
assign (segid "   A" and resid   34 and name  HD#) (segid "   A" and resid   34 and name  HD#) 2.121 0.562 0.562 weight 1.000 spectrum  2 peak   649 ! spec=13CARO, no=649, id=3556, vol=1.640000e+06
assign (segid "   B" and resid   34 and name  HD#) (segid "   B" and resid   34 and name  HD#) 2.121 0.562 0.562 weight 1.000 spectrum  2 peak   649 ! spec=13CARO, no=649, id=3556, vol=1.640000e+06
assign (segid "   C" and resid   34 and name  HD#) (segid "   C" and resid   34 and name  HD#) 2.121 0.562 0.562 weight 1.000 spectrum  2 peak   649 ! spec=13CARO, no=649, id=3556, vol=1.640000e+06
assign (segid "   D" and resid   34 and name  HD#) (segid "   D" and resid   34 and name  HD#) 2.121 0.562 0.562 weight 1.000 spectrum  2 peak   649 ! spec=13CARO, no=649, id=3556, vol=1.640000e+06
assign (segid "   A" and resid   31 and name   HA) (segid "   A" and resid   32 and name  HD#) 2.306 0.665 0.665 weight 1.000 spectrum  2 peak   650 ! spec=13CARO, no=650, id=3557, vol=9.910000e+05
assign (segid "   B" and resid   31 and name   HA) (segid "   B" and resid   32 and name  HD#) 2.306 0.665 0.665 weight 1.000 spectrum  2 peak   650 ! spec=13CARO, no=650, id=3557, vol=9.910000e+05
assign (segid "   C" and resid   31 and name   HA) (segid "   C" and resid   32 and name  HD#) 2.306 0.665 0.665 weight 1.000 spectrum  2 peak   650 ! spec=13CARO, no=650, id=3557, vol=9.910000e+05
assign (segid "   D" and resid   31 and name   HA) (segid "   D" and resid   32 and name  HD#) 2.306 0.665 0.665 weight 1.000 spectrum  2 peak   650 ! spec=13CARO, no=650, id=3557, vol=9.910000e+05
assign (segid "   A" and resid   24 and name  HB#) (segid "   A" and resid   24 and name  HB#) 2.092 0.547 0.547 weight 1.000 spectrum  2 peak   651 ! spec=13CARO, no=651, id=3558, vol=1.780000e+06
assign (segid "   B" and resid   24 and name  HB#) (segid "   B" and resid   24 and name  HB#) 2.092 0.547 0.547 weight 1.000 spectrum  2 peak   651 ! spec=13CARO, no=651, id=3558, vol=1.780000e+06
assign (segid "   C" and resid   24 and name  HB#) (segid "   C" and resid   24 and name  HB#) 2.092 0.547 0.547 weight 1.000 spectrum  2 peak   651 ! spec=13CARO, no=651, id=3558, vol=1.780000e+06
assign (segid "   D" and resid   24 and name  HB#) (segid "   D" and resid   24 and name  HB#) 2.092 0.547 0.547 weight 1.000 spectrum  2 peak   651 ! spec=13CARO, no=651, id=3558, vol=1.780000e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   B" and resid   12 and name  HD#) 3.452 1.489 1.489 weight 1.000 spectrum  2 peak   652 ! spec=13CARO, no=652, id=3559, vol=8.820000e+04
assign (segid "   B" and resid    2 and name   HA) (segid "   A" and resid   12 and name  HD#) 3.452 1.489 1.489 weight 1.000 spectrum  2 peak   652 ! spec=13CARO, no=652, id=3559, vol=8.820000e+04
assign (segid "   C" and resid    2 and name   HA) (segid "   D" and resid   12 and name  HD#) 3.452 1.489 1.489 weight 1.000 spectrum  2 peak   652 ! spec=13CARO, no=652, id=3559, vol=8.820000e+04
assign (segid "   D" and resid    2 and name   HA) (segid "   C" and resid   12 and name  HD#) 3.452 1.489 1.489 weight 1.000 spectrum  2 peak   652 ! spec=13CARO, no=652, id=3559, vol=8.820000e+04
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HB#) 2.646 0.875 0.875 weight 1.000 spectrum  2 peak   655 ! spec=13CARO, no=655, id=3562, vol=4.350000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   39 and name  HB#) 2.646 0.875 0.875 weight 1.000 spectrum  2 peak   655 ! spec=13CARO, no=655, id=3562, vol=4.350000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   39 and name  HB#) 2.646 0.875 0.875 weight 1.000 spectrum  2 peak   655 ! spec=13CARO, no=655, id=3562, vol=4.350000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   39 and name  HB#) 2.646 0.875 0.875 weight 1.000 spectrum  2 peak   655 ! spec=13CARO, no=655, id=3562, vol=4.350000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HB#) 2.490 2.490 3.510 weight 1.000 spectrum  2 peak   656 ! spec=13CARO, no=656, id=3563, vol=6.260000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   39 and name  HB#) 2.490 2.490 3.510 weight 1.000 spectrum  2 peak   656 ! spec=13CARO, no=656, id=3563, vol=6.260000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   39 and name  HB#) 2.490 2.490 3.510 weight 1.000 spectrum  2 peak   656 ! spec=13CARO, no=656, id=3563, vol=6.260000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   39 and name  HB#) 2.490 2.490 3.510 weight 1.000 spectrum  2 peak   656 ! spec=13CARO, no=656, id=3563, vol=6.260000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   12 and name   HA) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   664 ! spec=13CARO, no=664, id=3564, vol=5.110000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   12 and name   HA) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   664 ! spec=13CARO, no=664, id=3564, vol=5.110000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   12 and name   HA) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   664 ! spec=13CARO, no=664, id=3564, vol=5.110000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   12 and name   HA) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   664 ! spec=13CARO, no=664, id=3564, vol=5.110000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   667 ! spec=13CARO, no=667, id=3567, vol=1.670000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   667 ! spec=13CARO, no=667, id=3567, vol=1.670000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   667 ! spec=13CARO, no=667, id=3567, vol=1.670000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 3.103 1.204 1.204 weight 1.000 spectrum  2 peak   667 ! spec=13CARO, no=667, id=3567, vol=1.670000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   668 ! spec=13CARO, no=668, id=3568, vol=2.340000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   668 ! spec=13CARO, no=668, id=3568, vol=2.340000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   668 ! spec=13CARO, no=668, id=3568, vol=2.340000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.934 1.076 1.076 weight 1.000 spectrum  2 peak   668 ! spec=13CARO, no=668, id=3568, vol=2.340000e+05
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HB#) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   669 ! spec=13CARO, no=669, id=3569, vol=1.230000e+06
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HB#) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   669 ! spec=13CARO, no=669, id=3569, vol=1.230000e+06
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HB#) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   669 ! spec=13CARO, no=669, id=3569, vol=1.230000e+06
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HB#) 2.225 0.619 0.619 weight 1.000 spectrum  2 peak   669 ! spec=13CARO, no=669, id=3569, vol=1.230000e+06
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name   HA) 2.481 0.770 0.770 weight 1.000 spectrum  2 peak   672 ! spec=13CARO, no=672, id=3572, vol=6.390000e+05
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name   HA) 2.481 0.770 0.770 weight 1.000 spectrum  2 peak   672 ! spec=13CARO, no=672, id=3572, vol=6.390000e+05
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name   HA) 2.481 0.770 0.770 weight 1.000 spectrum  2 peak   672 ! spec=13CARO, no=672, id=3572, vol=6.390000e+05
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name   HA) 2.481 0.770 0.770 weight 1.000 spectrum  2 peak   672 ! spec=13CARO, no=672, id=3572, vol=6.390000e+05
assign (segid "   A" and resid   37 and name   HA) (segid "   A" and resid   36 and name   HA) 2.957 2.957 3.043 weight 1.000 spectrum  2 peak   675 ! spec=13CARO, no=675, id=3575, vol=2.230000e+05
assign (segid "   B" and resid   37 and name   HA) (segid "   B" and resid   36 and name   HA) 2.957 2.957 3.043 weight 1.000 spectrum  2 peak   675 ! spec=13CARO, no=675, id=3575, vol=2.230000e+05
assign (segid "   C" and resid   37 and name   HA) (segid "   C" and resid   36 and name   HA) 2.957 2.957 3.043 weight 1.000 spectrum  2 peak   675 ! spec=13CARO, no=675, id=3575, vol=2.230000e+05
assign (segid "   D" and resid   37 and name   HA) (segid "   D" and resid   36 and name   HA) 2.957 2.957 3.043 weight 1.000 spectrum  2 peak   675 ! spec=13CARO, no=675, id=3575, vol=2.230000e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name   HA) 3.056 1.168 1.280 weight 1.000 spectrum  2 peak   682 ! spec=13CARO, no=682, id=3579, vol=1.830000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    7 and name   HA) 3.056 1.168 1.280 weight 1.000 spectrum  2 peak   682 ! spec=13CARO, no=682, id=3579, vol=1.830000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    7 and name   HA) 3.056 1.168 1.280 weight 1.000 spectrum  2 peak   682 ! spec=13CARO, no=682, id=3579, vol=1.830000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    7 and name   HA) 3.056 1.168 1.280 weight 1.000 spectrum  2 peak   682 ! spec=13CARO, no=682, id=3579, vol=1.830000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    8 and name   HA) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   684 ! spec=13CARO, no=684, id=3581, vol=1.160000e+06
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    8 and name   HA) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   684 ! spec=13CARO, no=684, id=3581, vol=1.160000e+06
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    8 and name   HA) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   684 ! spec=13CARO, no=684, id=3581, vol=1.160000e+06
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    8 and name   HA) 2.247 0.631 0.631 weight 1.000 spectrum  2 peak   684 ! spec=13CARO, no=684, id=3581, vol=1.160000e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   B" and resid    4 and name   HA) 1.927 0.464 0.464 weight 1.000 spectrum  2 peak   686 ! spec=13CARO, no=686, id=3582, vol=2.910000e+06
assign (segid "   B" and resid   10 and name   HA) (segid "   A" and resid    4 and name   HA) 1.927 0.464 0.464 weight 1.000 spectrum  2 peak   686 ! spec=13CARO, no=686, id=3582, vol=2.910000e+06
assign (segid "   C" and resid   10 and name   HA) (segid "   D" and resid    4 and name   HA) 1.927 0.464 0.464 weight 1.000 spectrum  2 peak   686 ! spec=13CARO, no=686, id=3582, vol=2.910000e+06
assign (segid "   D" and resid   10 and name   HA) (segid "   C" and resid    4 and name   HA) 1.927 0.464 0.464 weight 1.000 spectrum  2 peak   686 ! spec=13CARO, no=686, id=3582, vol=2.910000e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    9 and name   HA) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   692 ! spec=13CARO, no=692, id=3585, vol=1.510000e+05
assign (segid "   B" and resid    8 and name   HA) (segid "   B" and resid    9 and name   HA) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   692 ! spec=13CARO, no=692, id=3585, vol=1.510000e+05
assign (segid "   C" and resid    8 and name   HA) (segid "   C" and resid    9 and name   HA) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   692 ! spec=13CARO, no=692, id=3585, vol=1.510000e+05
assign (segid "   D" and resid    8 and name   HA) (segid "   D" and resid    9 and name   HA) 3.156 1.245 1.245 weight 1.000 spectrum  2 peak   692 ! spec=13CARO, no=692, id=3585, vol=1.510000e+05
assign (segid "   A" and resid    6 and name   HA) (segid "   B" and resid    9 and name   HA) 3.977 1.977 2.206 weight 1.000 spectrum  2 peak   693 ! spec=13CARO, no=693, id=3586, vol=3.770000e+04
assign (segid "   B" and resid    6 and name   HA) (segid "   A" and resid    9 and name   HA) 3.977 1.977 2.206 weight 1.000 spectrum  2 peak   693 ! spec=13CARO, no=693, id=3586, vol=3.770000e+04
assign (segid "   C" and resid    6 and name   HA) (segid "   D" and resid    9 and name   HA) 3.977 1.977 2.206 weight 1.000 spectrum  2 peak   693 ! spec=13CARO, no=693, id=3586, vol=3.770000e+04
assign (segid "   D" and resid    6 and name   HA) (segid "   C" and resid    9 and name   HA) 3.977 1.977 2.206 weight 1.000 spectrum  2 peak   693 ! spec=13CARO, no=693, id=3586, vol=3.770000e+04
assign (segid "   A" and resid   25 and name   HA) (segid "   C" and resid   24 and name  HB#) 2.613 0.853 0.853 weight 1.000 spectrum  2 peak   694 ! spec=13CARO, no=694, id=3587, vol=4.690000e+05
assign (segid "   B" and resid   25 and name   HA) (segid "   D" and resid   24 and name  HB#) 2.613 0.853 0.853 weight 1.000 spectrum  2 peak   694 ! spec=13CARO, no=694, id=3587, vol=4.690000e+05
assign (segid "   C" and resid   25 and name   HA) (segid "   A" and resid   24 and name  HB#) 2.613 0.853 0.853 weight 1.000 spectrum  2 peak   694 ! spec=13CARO, no=694, id=3587, vol=4.690000e+05
assign (segid "   D" and resid   25 and name   HA) (segid "   B" and resid   24 and name  HB#) 2.613 0.853 0.853 weight 1.000 spectrum  2 peak   694 ! spec=13CARO, no=694, id=3587, vol=4.690000e+05
assign (segid "   A" and resid   39 and name  HE#) (segid "   C" and resid   23 and name   HA) 2.418 0.731 0.731 weight 1.000 spectrum  2 peak   706 ! spec=13CARO, no=706, id=3593, vol=7.460000e+05
assign (segid "   B" and resid   39 and name  HE#) (segid "   D" and resid   23 and name   HA) 2.418 0.731 0.731 weight 1.000 spectrum  2 peak   706 ! spec=13CARO, no=706, id=3593, vol=7.460000e+05
assign (segid "   C" and resid   39 and name  HE#) (segid "   A" and resid   23 and name   HA) 2.418 0.731 0.731 weight 1.000 spectrum  2 peak   706 ! spec=13CARO, no=706, id=3593, vol=7.460000e+05
assign (segid "   D" and resid   39 and name  HE#) (segid "   B" and resid   23 and name   HA) 2.418 0.731 0.731 weight 1.000 spectrum  2 peak   706 ! spec=13CARO, no=706, id=3593, vol=7.460000e+05
assign (segid "   A" and resid   44 and name HE2#) (segid "   A" and resid   44 and name   HA) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   707 ! spec=13CARO, no=707, id=3594, vol=2.330000e+05
assign (segid "   B" and resid   44 and name HE2#) (segid "   B" and resid   44 and name   HA) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   707 ! spec=13CARO, no=707, id=3594, vol=2.330000e+05
assign (segid "   C" and resid   44 and name HE2#) (segid "   C" and resid   44 and name   HA) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   707 ! spec=13CARO, no=707, id=3594, vol=2.330000e+05
assign (segid "   D" and resid   44 and name HE2#) (segid "   D" and resid   44 and name   HA) 2.936 1.077 1.077 weight 1.000 spectrum  2 peak   707 ! spec=13CARO, no=707, id=3594, vol=2.330000e+05
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    5 and name  HE#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   713 ! spec=13CARO, no=713, id=3600, vol=1.120000e+06
assign (segid "   B" and resid    2 and name   HA) (segid "   B" and resid    5 and name  HE#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   713 ! spec=13CARO, no=713, id=3600, vol=1.120000e+06
assign (segid "   C" and resid    2 and name   HA) (segid "   C" and resid    5 and name  HE#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   713 ! spec=13CARO, no=713, id=3600, vol=1.120000e+06
assign (segid "   D" and resid    2 and name   HA) (segid "   D" and resid    5 and name  HE#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   713 ! spec=13CARO, no=713, id=3600, vol=1.120000e+06
assign (segid "   A" and resid   40 and name   HA) (segid "   A" and resid   39 and name  HD#) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   715 ! spec=13CARO, no=715, id=3602, vol=5.110000e+05
assign (segid "   B" and resid   40 and name   HA) (segid "   B" and resid   39 and name  HD#) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   715 ! spec=13CARO, no=715, id=3602, vol=5.110000e+05
assign (segid "   C" and resid   40 and name   HA) (segid "   C" and resid   39 and name  HD#) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   715 ! spec=13CARO, no=715, id=3602, vol=5.110000e+05
assign (segid "   D" and resid   40 and name   HA) (segid "   D" and resid   39 and name  HD#) 2.576 0.829 0.829 weight 1.000 spectrum  2 peak   715 ! spec=13CARO, no=715, id=3602, vol=5.110000e+05
assign (segid "   A" and resid   36 and name   HA) (segid "   A" and resid   39 and name  HD#) 2.661 0.885 1.002 weight 1.000 spectrum  2 peak   716 ! spec=13CARO, no=716, id=3603, vol=4.200000e+05
assign (segid "   B" and resid   36 and name   HA) (segid "   B" and resid   39 and name  HD#) 2.661 0.885 1.002 weight 1.000 spectrum  2 peak   716 ! spec=13CARO, no=716, id=3603, vol=4.200000e+05
assign (segid "   C" and resid   36 and name   HA) (segid "   C" and resid   39 and name  HD#) 2.661 0.885 1.002 weight 1.000 spectrum  2 peak   716 ! spec=13CARO, no=716, id=3603, vol=4.200000e+05
assign (segid "   D" and resid   36 and name   HA) (segid "   D" and resid   39 and name  HD#) 2.661 0.885 1.002 weight 1.000 spectrum  2 peak   716 ! spec=13CARO, no=716, id=3603, vol=4.200000e+05
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HD#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   717 ! spec=13CARO, no=717, id=3604, vol=1.120000e+06
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HD#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   717 ! spec=13CARO, no=717, id=3604, vol=1.120000e+06
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HD#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   717 ! spec=13CARO, no=717, id=3604, vol=1.120000e+06
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HD#) 2.260 0.638 0.638 weight 1.000 spectrum  2 peak   717 ! spec=13CARO, no=717, id=3604, vol=1.120000e+06
assign (segid "   A" and resid   39 and name  HB#) (segid "   A" and resid   39 and name  HD#) 2.228 0.620 0.620 weight 1.000 spectrum  2 peak   718 ! spec=13CARO, no=718, id=3605, vol=1.220000e+06
assign (segid "   B" and resid   39 and name  HB#) (segid "   B" and resid   39 and name  HD#) 2.228 0.620 0.620 weight 1.000 spectrum  2 peak   718 ! spec=13CARO, no=718, id=3605, vol=1.220000e+06
assign (segid "   C" and resid   39 and name  HB#) (segid "   C" and resid   39 and name  HD#) 2.228 0.620 0.620 weight 1.000 spectrum  2 peak   718 ! spec=13CARO, no=718, id=3605, vol=1.220000e+06
assign (segid "   D" and resid   39 and name  HB#) (segid "   D" and resid   39 and name  HD#) 2.228 0.620 0.620 weight 1.000 spectrum  2 peak   718 ! spec=13CARO, no=718, id=3605, vol=1.220000e+06
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HD#) 2.345 0.687 0.687 weight 1.000 spectrum  2 peak   719 ! spec=13CARO, no=719, id=3606, vol=8.980000e+05
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HD#) 2.345 0.687 0.687 weight 1.000 spectrum  2 peak   719 ! spec=13CARO, no=719, id=3606, vol=8.980000e+05
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HD#) 2.345 0.687 0.687 weight 1.000 spectrum  2 peak   719 ! spec=13CARO, no=719, id=3606, vol=8.980000e+05
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HD#) 2.345 0.687 0.687 weight 1.000 spectrum  2 peak   719 ! spec=13CARO, no=719, id=3606, vol=8.980000e+05
assign (segid "   A" and resid    6 and name  HB#) (segid "   A" and resid    6 and name  HD#) 2.349 0.690 0.690 weight 1.000 spectrum  2 peak   720 ! spec=13CARO, no=720, id=3607, vol=8.880000e+05
assign (segid "   B" and resid    6 and name  HB#) (segid "   B" and resid    6 and name  HD#) 2.349 0.690 0.690 weight 1.000 spectrum  2 peak   720 ! spec=13CARO, no=720, id=3607, vol=8.880000e+05
assign (segid "   C" and resid    6 and name  HB#) (segid "   C" and resid    6 and name  HD#) 2.349 0.690 0.690 weight 1.000 spectrum  2 peak   720 ! spec=13CARO, no=720, id=3607, vol=8.880000e+05
assign (segid "   D" and resid    6 and name  HB#) (segid "   D" and resid    6 and name  HD#) 2.349 0.690 0.690 weight 1.000 spectrum  2 peak   720 ! spec=13CARO, no=720, id=3607, vol=8.880000e+05
assign (segid "   A" and resid    6 and name  HD#) (segid "   B" and resid    8 and name  HG#) 2.826 0.998 0.998 weight 1.000 spectrum  2 peak   724 ! spec=13CARO, no=724, id=3611, vol=2.930000e+05
assign (segid "   B" and resid    6 and name  HD#) (segid "   A" and resid    8 and name  HG#) 2.826 0.998 0.998 weight 1.000 spectrum  2 peak   724 ! spec=13CARO, no=724, id=3611, vol=2.930000e+05
assign (segid "   C" and resid    6 and name  HD#) (segid "   D" and resid    8 and name  HG#) 2.826 0.998 0.998 weight 1.000 spectrum  2 peak   724 ! spec=13CARO, no=724, id=3611, vol=2.930000e+05
assign (segid "   D" and resid    6 and name  HD#) (segid "   C" and resid    8 and name  HG#) 2.826 0.998 0.998 weight 1.000 spectrum  2 peak   724 ! spec=13CARO, no=724, id=3611, vol=2.930000e+05
assign (segid "   A" and resid   15 and name  HE#) (segid "   B" and resid    5 and name  HB#) 3.139 1.232 1.232 weight 1.000 spectrum  2 peak   730 ! spec=13CARO, no=730, id=3617, vol=1.560000e+05
assign (segid "   B" and resid   15 and name  HE#) (segid "   A" and resid    5 and name  HB#) 3.139 1.232 1.232 weight 1.000 spectrum  2 peak   730 ! spec=13CARO, no=730, id=3617, vol=1.560000e+05
assign (segid "   C" and resid   15 and name  HE#) (segid "   D" and resid    5 and name  HB#) 3.139 1.232 1.232 weight 1.000 spectrum  2 peak   730 ! spec=13CARO, no=730, id=3617, vol=1.560000e+05
assign (segid "   D" and resid   15 and name  HE#) (segid "   C" and resid    5 and name  HB#) 3.139 1.232 1.232 weight 1.000 spectrum  2 peak   730 ! spec=13CARO, no=730, id=3617, vol=1.560000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name  HB#) 2.708 0.917 0.917 weight 1.000 spectrum  2 peak   750 ! spec=13CARO, no=750, id=3636, vol=3.780000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name  HB#) 2.708 0.917 0.917 weight 1.000 spectrum  2 peak   750 ! spec=13CARO, no=750, id=3636, vol=3.780000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name  HB#) 2.708 0.917 0.917 weight 1.000 spectrum  2 peak   750 ! spec=13CARO, no=750, id=3636, vol=3.780000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name  HB#) 2.708 0.917 0.917 weight 1.000 spectrum  2 peak   750 ! spec=13CARO, no=750, id=3636, vol=3.780000e+05
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name  HB#) 2.042 0.521 0.521 weight 1.000 spectrum  2 peak   752 ! spec=13CARO, no=752, id=3638, vol=2.060000e+06
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name  HB#) 2.042 0.521 0.521 weight 1.000 spectrum  2 peak   752 ! spec=13CARO, no=752, id=3638, vol=2.060000e+06
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name  HB#) 2.042 0.521 0.521 weight 1.000 spectrum  2 peak   752 ! spec=13CARO, no=752, id=3638, vol=2.060000e+06
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name  HB#) 2.042 0.521 0.521 weight 1.000 spectrum  2 peak   752 ! spec=13CARO, no=752, id=3638, vol=2.060000e+06
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.084 0.543 0.543 weight 1.000 spectrum  2 peak   760 ! spec=13CARO, no=760, id=3645, vol=1.820000e+06
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.084 0.543 0.543 weight 1.000 spectrum  2 peak   760 ! spec=13CARO, no=760, id=3645, vol=1.820000e+06
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.084 0.543 0.543 weight 1.000 spectrum  2 peak   760 ! spec=13CARO, no=760, id=3645, vol=1.820000e+06
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.084 0.543 0.543 weight 1.000 spectrum  2 peak   760 ! spec=13CARO, no=760, id=3645, vol=1.820000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.136 0.570 0.570 weight 1.000 spectrum  2 peak   763 ! spec=13CARO, no=763, id=3648, vol=1.570000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.136 0.570 0.570 weight 1.000 spectrum  2 peak   763 ! spec=13CARO, no=763, id=3648, vol=1.570000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.136 0.570 0.570 weight 1.000 spectrum  2 peak   763 ! spec=13CARO, no=763, id=3648, vol=1.570000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.136 0.570 0.570 weight 1.000 spectrum  2 peak   763 ! spec=13CARO, no=763, id=3648, vol=1.570000e+06
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    4 and name HG2#) 2.731 2.731 3.269 weight 1.000 spectrum  3 peak   117 ! spec=13CMETHYL, no=117, id=598, vol=4.150000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    4 and name HG2#) 2.731 2.731 3.269 weight 1.000 spectrum  3 peak   117 ! spec=13CMETHYL, no=117, id=598, vol=4.150000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    4 and name HG2#) 2.731 2.731 3.269 weight 1.000 spectrum  3 peak   117 ! spec=13CMETHYL, no=117, id=598, vol=4.150000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    4 and name HG2#) 2.731 2.731 3.269 weight 1.000 spectrum  3 peak   117 ! spec=13CMETHYL, no=117, id=598, vol=4.150000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.846 2.846 3.154 weight 1.000 spectrum  3 peak   123 ! spec=13CMETHYL, no=123, id=602, vol=3.240000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.846 2.846 3.154 weight 1.000 spectrum  3 peak   123 ! spec=13CMETHYL, no=123, id=602, vol=3.240000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.846 2.846 3.154 weight 1.000 spectrum  3 peak   123 ! spec=13CMETHYL, no=123, id=602, vol=3.240000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.846 2.846 3.154 weight 1.000 spectrum  3 peak   123 ! spec=13CMETHYL, no=123, id=602, vol=3.240000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.578 0.831 0.831 weight 1.000 spectrum  3 peak   128 ! spec=13CMETHYL, no=128, id=603, vol=5.870000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.578 0.831 0.831 weight 1.000 spectrum  3 peak   128 ! spec=13CMETHYL, no=128, id=603, vol=5.870000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.578 0.831 0.831 weight 1.000 spectrum  3 peak   128 ! spec=13CMETHYL, no=128, id=603, vol=5.870000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.578 0.831 0.831 weight 1.000 spectrum  3 peak   128 ! spec=13CMETHYL, no=128, id=603, vol=5.870000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HD1#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   130 ! spec=13CMETHYL, no=130, id=605, vol=7.340000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HD1#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   130 ! spec=13CMETHYL, no=130, id=605, vol=7.340000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HD1#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   130 ! spec=13CMETHYL, no=130, id=605, vol=7.340000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HD1#) 2.484 2.484 3.516 weight 1.000 spectrum  3 peak   130 ! spec=13CMETHYL, no=130, id=605, vol=7.340000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   D" and resid   17 and name HD1#) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak   131 ! spec=13CMETHYL, no=131, id=606, vol=8.940000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   C" and resid   17 and name HD1#) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak   131 ! spec=13CMETHYL, no=131, id=606, vol=8.940000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   B" and resid   17 and name HD1#) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak   131 ! spec=13CMETHYL, no=131, id=606, vol=8.940000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   A" and resid   17 and name HD1#) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak   131 ! spec=13CMETHYL, no=131, id=606, vol=8.940000e+05
assign (segid "   A" and resid   20 and name  HB#) (segid "   D" and resid   17 and name HD1#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak   138 ! spec=13CMETHYL, no=138, id=609, vol=7.940000e+05
assign (segid "   B" and resid   20 and name  HB#) (segid "   C" and resid   17 and name HD1#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak   138 ! spec=13CMETHYL, no=138, id=609, vol=7.940000e+05
assign (segid "   C" and resid   20 and name  HB#) (segid "   B" and resid   17 and name HD1#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak   138 ! spec=13CMETHYL, no=138, id=609, vol=7.940000e+05
assign (segid "   D" and resid   20 and name  HB#) (segid "   A" and resid   17 and name HD1#) 2.451 0.751 0.751 weight 1.000 spectrum  3 peak   138 ! spec=13CMETHYL, no=138, id=609, vol=7.940000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.766 0.956 0.956 weight 1.000 spectrum  3 peak   140 ! spec=13CMETHYL, no=140, id=611, vol=3.850000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.766 0.956 0.956 weight 1.000 spectrum  3 peak   140 ! spec=13CMETHYL, no=140, id=611, vol=3.850000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.766 0.956 0.956 weight 1.000 spectrum  3 peak   140 ! spec=13CMETHYL, no=140, id=611, vol=3.850000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.766 0.956 0.956 weight 1.000 spectrum  3 peak   140 ! spec=13CMETHYL, no=140, id=611, vol=3.850000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   D" and resid   17 and name HD1#) 2.102 0.552 0.943 weight 1.000 spectrum  3 peak   143 ! spec=13CMETHYL, no=143, id=614, vol=2.000000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   C" and resid   17 and name HD1#) 2.102 0.552 0.943 weight 1.000 spectrum  3 peak   143 ! spec=13CMETHYL, no=143, id=614, vol=2.000000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   B" and resid   17 and name HD1#) 2.102 0.552 0.943 weight 1.000 spectrum  3 peak   143 ! spec=13CMETHYL, no=143, id=614, vol=2.000000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   A" and resid   17 and name HD1#) 2.102 0.552 0.943 weight 1.000 spectrum  3 peak   143 ! spec=13CMETHYL, no=143, id=614, vol=2.000000e+06
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    4 and name HG2#) 2.411 2.411 3.589 weight 1.000 spectrum  3 peak   148 ! spec=13CMETHYL, no=148, id=619, vol=8.770000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    4 and name HG2#) 2.411 2.411 3.589 weight 1.000 spectrum  3 peak   148 ! spec=13CMETHYL, no=148, id=619, vol=8.770000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    4 and name HG2#) 2.411 2.411 3.589 weight 1.000 spectrum  3 peak   148 ! spec=13CMETHYL, no=148, id=619, vol=8.770000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    4 and name HG2#) 2.411 2.411 3.589 weight 1.000 spectrum  3 peak   148 ! spec=13CMETHYL, no=148, id=619, vol=8.770000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   C" and resid    4 and name HG2#) 3.075 3.075 2.925 weight 1.000 spectrum  3 peak   179 ! spec=13CMETHYL, no=179, id=637, vol=2.040000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   D" and resid    4 and name HG2#) 3.075 3.075 2.925 weight 1.000 spectrum  3 peak   179 ! spec=13CMETHYL, no=179, id=637, vol=2.040000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   A" and resid    4 and name HG2#) 3.075 3.075 2.925 weight 1.000 spectrum  3 peak   179 ! spec=13CMETHYL, no=179, id=637, vol=2.040000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   B" and resid    4 and name HG2#) 3.075 3.075 2.925 weight 1.000 spectrum  3 peak   179 ! spec=13CMETHYL, no=179, id=637, vol=2.040000e+05
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HD1#) 1.658 0.344 0.344 weight 1.000 spectrum  3 peak   223 ! spec=13CMETHYL, no=223, id=648, vol=8.280000e+06
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HD1#) 1.658 0.344 0.344 weight 1.000 spectrum  3 peak   223 ! spec=13CMETHYL, no=223, id=648, vol=8.280000e+06
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HD1#) 1.658 0.344 0.344 weight 1.000 spectrum  3 peak   223 ! spec=13CMETHYL, no=223, id=648, vol=8.280000e+06
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HD1#) 1.658 0.344 0.344 weight 1.000 spectrum  3 peak   223 ! spec=13CMETHYL, no=223, id=648, vol=8.280000e+06
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HG1#) 1.860 0.432 0.432 weight 1.000 spectrum  3 peak   224 ! spec=13CMETHYL, no=224, id=649, vol=4.160000e+06
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HG1#) 1.860 0.432 0.432 weight 1.000 spectrum  3 peak   224 ! spec=13CMETHYL, no=224, id=649, vol=4.160000e+06
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HG1#) 1.860 0.432 0.432 weight 1.000 spectrum  3 peak   224 ! spec=13CMETHYL, no=224, id=649, vol=4.160000e+06
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HG1#) 1.860 0.432 0.432 weight 1.000 spectrum  3 peak   224 ! spec=13CMETHYL, no=224, id=649, vol=4.160000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   D" and resid   17 and name HG1#) 2.734 2.734 3.266 weight 1.000 spectrum  3 peak   227 ! spec=13CMETHYL, no=227, id=650, vol=4.130000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   C" and resid   17 and name HG1#) 2.734 2.734 3.266 weight 1.000 spectrum  3 peak   227 ! spec=13CMETHYL, no=227, id=650, vol=4.130000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   B" and resid   17 and name HG1#) 2.734 2.734 3.266 weight 1.000 spectrum  3 peak   227 ! spec=13CMETHYL, no=227, id=650, vol=4.130000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   A" and resid   17 and name HG1#) 2.734 2.734 3.266 weight 1.000 spectrum  3 peak   227 ! spec=13CMETHYL, no=227, id=650, vol=4.130000e+05
assign (segid "   A" and resid   18 and name   HG) (segid "   A" and resid   18 and name  HB#) 2.832 1.003 1.003 weight 1.000 spectrum  3 peak   269 ! spec=13CMETHYL, no=269, id=671, vol=3.340000e+05
assign (segid "   B" and resid   18 and name   HG) (segid "   B" and resid   18 and name  HB#) 2.832 1.003 1.003 weight 1.000 spectrum  3 peak   269 ! spec=13CMETHYL, no=269, id=671, vol=3.340000e+05
assign (segid "   C" and resid   18 and name   HG) (segid "   C" and resid   18 and name  HB#) 2.832 1.003 1.003 weight 1.000 spectrum  3 peak   269 ! spec=13CMETHYL, no=269, id=671, vol=3.340000e+05
assign (segid "   D" and resid   18 and name   HG) (segid "   D" and resid   18 and name  HB#) 2.832 1.003 1.003 weight 1.000 spectrum  3 peak   269 ! spec=13CMETHYL, no=269, id=671, vol=3.340000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name  HG#) 2.400 0.720 0.720 weight 1.000 spectrum  3 peak   307 ! spec=13CMETHYL, no=307, id=687, vol=9.020000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name  HG#) 2.400 0.720 0.720 weight 1.000 spectrum  3 peak   307 ! spec=13CMETHYL, no=307, id=687, vol=9.020000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name  HG#) 2.400 0.720 0.720 weight 1.000 spectrum  3 peak   307 ! spec=13CMETHYL, no=307, id=687, vol=9.020000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name  HG#) 2.400 0.720 0.720 weight 1.000 spectrum  3 peak   307 ! spec=13CMETHYL, no=307, id=687, vol=9.020000e+05
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HG#) 2.455 0.753 0.753 weight 1.000 spectrum  3 peak   308 ! spec=13CMETHYL, no=308, id=688, vol=7.870000e+05
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HG#) 2.455 0.753 0.753 weight 1.000 spectrum  3 peak   308 ! spec=13CMETHYL, no=308, id=688, vol=7.870000e+05
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HG#) 2.455 0.753 0.753 weight 1.000 spectrum  3 peak   308 ! spec=13CMETHYL, no=308, id=688, vol=7.870000e+05
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HG#) 2.455 0.753 0.753 weight 1.000 spectrum  3 peak   308 ! spec=13CMETHYL, no=308, id=688, vol=7.870000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name  HG#) 1.751 0.383 0.383 weight 1.000 spectrum  3 peak   313 ! spec=13CMETHYL, no=313, id=691, vol=5.970000e+06
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name  HG#) 1.751 0.383 0.383 weight 1.000 spectrum  3 peak   313 ! spec=13CMETHYL, no=313, id=691, vol=5.970000e+06
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name  HG#) 1.751 0.383 0.383 weight 1.000 spectrum  3 peak   313 ! spec=13CMETHYL, no=313, id=691, vol=5.970000e+06
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name  HG#) 1.751 0.383 0.383 weight 1.000 spectrum  3 peak   313 ! spec=13CMETHYL, no=313, id=691, vol=5.970000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HG#) 1.923 0.462 0.462 weight 1.000 spectrum  3 peak   316 ! spec=13CMETHYL, no=316, id=693, vol=3.410000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HG#) 1.923 0.462 0.462 weight 1.000 spectrum  3 peak   316 ! spec=13CMETHYL, no=316, id=693, vol=3.410000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HG#) 1.923 0.462 0.462 weight 1.000 spectrum  3 peak   316 ! spec=13CMETHYL, no=316, id=693, vol=3.410000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HG#) 1.923 0.462 0.462 weight 1.000 spectrum  3 peak   316 ! spec=13CMETHYL, no=316, id=693, vol=3.410000e+06
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid   22 and name  HG#) 3.145 3.145 2.855 weight 1.000 spectrum  3 peak   318 ! spec=13CMETHYL, no=318, id=694, vol=1.780000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid   22 and name  HG#) 3.145 3.145 2.855 weight 1.000 spectrum  3 peak   318 ! spec=13CMETHYL, no=318, id=694, vol=1.780000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid   22 and name  HG#) 3.145 3.145 2.855 weight 1.000 spectrum  3 peak   318 ! spec=13CMETHYL, no=318, id=694, vol=1.780000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid   22 and name  HG#) 3.145 3.145 2.855 weight 1.000 spectrum  3 peak   318 ! spec=13CMETHYL, no=318, id=694, vol=1.780000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak   320 ! spec=13CMETHYL, no=320, id=696, vol=3.000000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak   320 ! spec=13CMETHYL, no=320, id=696, vol=3.000000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak   320 ! spec=13CMETHYL, no=320, id=696, vol=3.000000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HG#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak   320 ! spec=13CMETHYL, no=320, id=696, vol=3.000000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid   22 and name  HG#) 3.388 3.388 2.862 weight 1.000 spectrum  3 peak   331 ! spec=13CMETHYL, no=331, id=699, vol=1.140000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid   22 and name  HG#) 3.388 3.388 2.862 weight 1.000 spectrum  3 peak   331 ! spec=13CMETHYL, no=331, id=699, vol=1.140000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid   22 and name  HG#) 3.388 3.388 2.862 weight 1.000 spectrum  3 peak   331 ! spec=13CMETHYL, no=331, id=699, vol=1.140000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid   22 and name  HG#) 3.388 3.388 2.862 weight 1.000 spectrum  3 peak   331 ! spec=13CMETHYL, no=331, id=699, vol=1.140000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name  HG#) 2.631 2.631 3.369 weight 1.000 spectrum  3 peak   334 ! spec=13CMETHYL, no=334, id=701, vol=5.200000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name  HG#) 2.631 2.631 3.369 weight 1.000 spectrum  3 peak   334 ! spec=13CMETHYL, no=334, id=701, vol=5.200000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name  HG#) 2.631 2.631 3.369 weight 1.000 spectrum  3 peak   334 ! spec=13CMETHYL, no=334, id=701, vol=5.200000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name  HG#) 2.631 2.631 3.369 weight 1.000 spectrum  3 peak   334 ! spec=13CMETHYL, no=334, id=701, vol=5.200000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name  HG#) 1.741 0.379 0.379 weight 1.000 spectrum  3 peak   336 ! spec=13CMETHYL, no=336, id=703, vol=6.180000e+06
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name  HG#) 1.741 0.379 0.379 weight 1.000 spectrum  3 peak   336 ! spec=13CMETHYL, no=336, id=703, vol=6.180000e+06
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name  HG#) 1.741 0.379 0.379 weight 1.000 spectrum  3 peak   336 ! spec=13CMETHYL, no=336, id=703, vol=6.180000e+06
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name  HG#) 1.741 0.379 0.379 weight 1.000 spectrum  3 peak   336 ! spec=13CMETHYL, no=336, id=703, vol=6.180000e+06
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid    4 and name HG2#) 2.528 2.528 3.472 weight 1.000 spectrum  3 peak   340 ! spec=13CMETHYL, no=340, id=704, vol=6.600000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid    4 and name HG2#) 2.528 2.528 3.472 weight 1.000 spectrum  3 peak   340 ! spec=13CMETHYL, no=340, id=704, vol=6.600000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid    4 and name HG2#) 2.528 2.528 3.472 weight 1.000 spectrum  3 peak   340 ! spec=13CMETHYL, no=340, id=704, vol=6.600000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid    4 and name HG2#) 2.528 2.528 3.472 weight 1.000 spectrum  3 peak   340 ! spec=13CMETHYL, no=340, id=704, vol=6.600000e+05
assign (segid "   A" and resid   16 and name  HB#) (segid "   A" and resid   12 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  3 peak   347 ! spec=13CMETHYL, no=347, id=710, vol=1.260000e+05
assign (segid "   B" and resid   16 and name  HB#) (segid "   B" and resid   12 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  3 peak   347 ! spec=13CMETHYL, no=347, id=710, vol=1.260000e+05
assign (segid "   C" and resid   16 and name  HB#) (segid "   C" and resid   12 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  3 peak   347 ! spec=13CMETHYL, no=347, id=710, vol=1.260000e+05
assign (segid "   D" and resid   16 and name  HB#) (segid "   D" and resid   12 and name  HG#) 3.332 3.332 2.668 weight 1.000 spectrum  3 peak   347 ! spec=13CMETHYL, no=347, id=710, vol=1.260000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HG#) 1.694 1.694 4.306 weight 1.000 spectrum  3 peak   348 ! spec=13CMETHYL, no=348, id=711, vol=7.280000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HG#) 1.694 1.694 4.306 weight 1.000 spectrum  3 peak   348 ! spec=13CMETHYL, no=348, id=711, vol=7.280000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HG#) 1.694 1.694 4.306 weight 1.000 spectrum  3 peak   348 ! spec=13CMETHYL, no=348, id=711, vol=7.280000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HG#) 1.694 1.694 4.306 weight 1.000 spectrum  3 peak   348 ! spec=13CMETHYL, no=348, id=711, vol=7.280000e+06
assign (segid "   A" and resid   30 and name  HB#) (segid "   C" and resid   35 and name  HB#) 3.090 3.090 2.910 weight 1.000 spectrum  3 peak   364 ! spec=13CMETHYL, no=364, id=717, vol=1.980000e+05
assign (segid "   B" and resid   30 and name  HB#) (segid "   D" and resid   35 and name  HB#) 3.090 3.090 2.910 weight 1.000 spectrum  3 peak   364 ! spec=13CMETHYL, no=364, id=717, vol=1.980000e+05
assign (segid "   C" and resid   30 and name  HB#) (segid "   A" and resid   35 and name  HB#) 3.090 3.090 2.910 weight 1.000 spectrum  3 peak   364 ! spec=13CMETHYL, no=364, id=717, vol=1.980000e+05
assign (segid "   D" and resid   30 and name  HB#) (segid "   B" and resid   35 and name  HB#) 3.090 3.090 2.910 weight 1.000 spectrum  3 peak   364 ! spec=13CMETHYL, no=364, id=717, vol=1.980000e+05
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   35 and name  HB#) 2.308 0.666 0.666 weight 1.000 spectrum  3 peak   365 ! spec=13CMETHYL, no=365, id=718, vol=1.140000e+06
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   35 and name  HB#) 2.308 0.666 0.666 weight 1.000 spectrum  3 peak   365 ! spec=13CMETHYL, no=365, id=718, vol=1.140000e+06
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   35 and name  HB#) 2.308 0.666 0.666 weight 1.000 spectrum  3 peak   365 ! spec=13CMETHYL, no=365, id=718, vol=1.140000e+06
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   35 and name  HB#) 2.308 0.666 0.666 weight 1.000 spectrum  3 peak   365 ! spec=13CMETHYL, no=365, id=718, vol=1.140000e+06
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   19 and name  HB#) 2.135 0.570 0.570 weight 1.000 spectrum  3 peak   370 ! spec=13CMETHYL, no=370, id=719, vol=1.820000e+06
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   19 and name  HB#) 2.135 0.570 0.570 weight 1.000 spectrum  3 peak   370 ! spec=13CMETHYL, no=370, id=719, vol=1.820000e+06
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   19 and name  HB#) 2.135 0.570 0.570 weight 1.000 spectrum  3 peak   370 ! spec=13CMETHYL, no=370, id=719, vol=1.820000e+06
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   19 and name  HB#) 2.135 0.570 0.570 weight 1.000 spectrum  3 peak   370 ! spec=13CMETHYL, no=370, id=719, vol=1.820000e+06
assign (segid "   A" and resid   46 and name   HG) (segid "   A" and resid   46 and name  HB#) 1.798 1.798 4.202 weight 1.000 spectrum  3 peak   375 ! spec=13CMETHYL, no=375, id=724, vol=5.100000e+06
assign (segid "   B" and resid   46 and name   HG) (segid "   B" and resid   46 and name  HB#) 1.798 1.798 4.202 weight 1.000 spectrum  3 peak   375 ! spec=13CMETHYL, no=375, id=724, vol=5.100000e+06
assign (segid "   C" and resid   46 and name   HG) (segid "   C" and resid   46 and name  HB#) 1.798 1.798 4.202 weight 1.000 spectrum  3 peak   375 ! spec=13CMETHYL, no=375, id=724, vol=5.100000e+06
assign (segid "   D" and resid   46 and name   HG) (segid "   D" and resid   46 and name  HB#) 1.798 1.798 4.202 weight 1.000 spectrum  3 peak   375 ! spec=13CMETHYL, no=375, id=724, vol=5.100000e+06
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name  HG#) 1.937 0.469 0.469 weight 1.000 spectrum  3 peak   403 ! spec=13CMETHYL, no=403, id=735, vol=3.260000e+06
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name  HG#) 1.937 0.469 0.469 weight 1.000 spectrum  3 peak   403 ! spec=13CMETHYL, no=403, id=735, vol=3.260000e+06
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name  HG#) 1.937 0.469 0.469 weight 1.000 spectrum  3 peak   403 ! spec=13CMETHYL, no=403, id=735, vol=3.260000e+06
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name  HG#) 1.937 0.469 0.469 weight 1.000 spectrum  3 peak   403 ! spec=13CMETHYL, no=403, id=735, vol=3.260000e+06
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name  HG#) 2.435 0.741 0.741 weight 1.000 spectrum  3 peak   406 ! spec=13CMETHYL, no=406, id=737, vol=8.270000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name  HG#) 2.435 0.741 0.741 weight 1.000 spectrum  3 peak   406 ! spec=13CMETHYL, no=406, id=737, vol=8.270000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name  HG#) 2.435 0.741 0.741 weight 1.000 spectrum  3 peak   406 ! spec=13CMETHYL, no=406, id=737, vol=8.270000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name  HG#) 2.435 0.741 0.741 weight 1.000 spectrum  3 peak   406 ! spec=13CMETHYL, no=406, id=737, vol=8.270000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name  HD#) 2.120 0.562 1.023 weight 1.000 spectrum  3 peak   408 ! spec=13CMETHYL, no=408, id=739, vol=1.900000e+06
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name  HD#) 2.120 0.562 1.023 weight 1.000 spectrum  3 peak   408 ! spec=13CMETHYL, no=408, id=739, vol=1.900000e+06
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name  HD#) 2.120 0.562 1.023 weight 1.000 spectrum  3 peak   408 ! spec=13CMETHYL, no=408, id=739, vol=1.900000e+06
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name  HD#) 2.120 0.562 1.023 weight 1.000 spectrum  3 peak   408 ! spec=13CMETHYL, no=408, id=739, vol=1.900000e+06
assign (segid "   A" and resid   17 and name HG1#) (segid "   D" and resid   20 and name  HD#) 2.867 2.867 3.133 weight 1.000 spectrum  3 peak   413 ! spec=13CMETHYL, no=413, id=742, vol=3.100000e+05
assign (segid "   B" and resid   17 and name HG1#) (segid "   C" and resid   20 and name  HD#) 2.867 2.867 3.133 weight 1.000 spectrum  3 peak   413 ! spec=13CMETHYL, no=413, id=742, vol=3.100000e+05
assign (segid "   C" and resid   17 and name HG1#) (segid "   B" and resid   20 and name  HD#) 2.867 2.867 3.133 weight 1.000 spectrum  3 peak   413 ! spec=13CMETHYL, no=413, id=742, vol=3.100000e+05
assign (segid "   D" and resid   17 and name HG1#) (segid "   A" and resid   20 and name  HD#) 2.867 2.867 3.133 weight 1.000 spectrum  3 peak   413 ! spec=13CMETHYL, no=413, id=742, vol=3.100000e+05
assign (segid "   A" and resid   30 and name  HB#) (segid "   A" and resid   30 and name   HG) 2.139 0.572 0.572 weight 1.000 spectrum  3 peak   414 ! spec=13CMETHYL, no=414, id=743, vol=1.800000e+06
assign (segid "   B" and resid   30 and name  HB#) (segid "   B" and resid   30 and name   HG) 2.139 0.572 0.572 weight 1.000 spectrum  3 peak   414 ! spec=13CMETHYL, no=414, id=743, vol=1.800000e+06
assign (segid "   C" and resid   30 and name  HB#) (segid "   C" and resid   30 and name   HG) 2.139 0.572 0.572 weight 1.000 spectrum  3 peak   414 ! spec=13CMETHYL, no=414, id=743, vol=1.800000e+06
assign (segid "   D" and resid   30 and name  HB#) (segid "   D" and resid   30 and name   HG) 2.139 0.572 0.572 weight 1.000 spectrum  3 peak   414 ! spec=13CMETHYL, no=414, id=743, vol=1.800000e+06
assign (segid "   A" and resid   48 and name  HB#) (segid "   A" and resid   48 and name  HG#) 1.557 1.557 4.443 weight 1.000 spectrum  3 peak   422 ! spec=13CMETHYL, no=422, id=750, vol=1.210000e+07
assign (segid "   B" and resid   48 and name  HB#) (segid "   B" and resid   48 and name  HG#) 1.557 1.557 4.443 weight 1.000 spectrum  3 peak   422 ! spec=13CMETHYL, no=422, id=750, vol=1.210000e+07
assign (segid "   C" and resid   48 and name  HB#) (segid "   C" and resid   48 and name  HG#) 1.557 1.557 4.443 weight 1.000 spectrum  3 peak   422 ! spec=13CMETHYL, no=422, id=750, vol=1.210000e+07
assign (segid "   D" and resid   48 and name  HB#) (segid "   D" and resid   48 and name  HG#) 1.557 1.557 4.443 weight 1.000 spectrum  3 peak   422 ! spec=13CMETHYL, no=422, id=750, vol=1.210000e+07
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   19 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   436 ! spec=13CMETHYL, no=436, id=755, vol=2.180000e+06
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   19 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   436 ! spec=13CMETHYL, no=436, id=755, vol=2.180000e+06
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   19 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   436 ! spec=13CMETHYL, no=436, id=755, vol=2.180000e+06
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   19 and name  HB#) 2.072 0.536 0.536 weight 1.000 spectrum  3 peak   436 ! spec=13CMETHYL, no=436, id=755, vol=2.180000e+06
assign (segid "   A" and resid   22 and name  HB#) (segid "   B" and resid    7 and name   HG) 2.906 1.056 1.056 weight 1.000 spectrum  3 peak   450 ! spec=13CMETHYL, no=450, id=760, vol=2.860000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   A" and resid    7 and name   HG) 2.906 1.056 1.056 weight 1.000 spectrum  3 peak   450 ! spec=13CMETHYL, no=450, id=760, vol=2.860000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   D" and resid    7 and name   HG) 2.906 1.056 1.056 weight 1.000 spectrum  3 peak   450 ! spec=13CMETHYL, no=450, id=760, vol=2.860000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   C" and resid    7 and name   HG) 2.906 1.056 1.056 weight 1.000 spectrum  3 peak   450 ! spec=13CMETHYL, no=450, id=760, vol=2.860000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   C" and resid   25 and name   HG) 2.359 2.359 3.641 weight 1.000 spectrum  3 peak   468 ! spec=13CMETHYL, no=468, id=767, vol=1.000000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   D" and resid   25 and name   HG) 2.359 2.359 3.641 weight 1.000 spectrum  3 peak   468 ! spec=13CMETHYL, no=468, id=767, vol=1.000000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   A" and resid   25 and name   HG) 2.359 2.359 3.641 weight 1.000 spectrum  3 peak   468 ! spec=13CMETHYL, no=468, id=767, vol=1.000000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   B" and resid   25 and name   HG) 2.359 2.359 3.641 weight 1.000 spectrum  3 peak   468 ! spec=13CMETHYL, no=468, id=767, vol=1.000000e+06
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HG) 2.164 0.585 0.585 weight 1.000 spectrum  3 peak   471 ! spec=13CMETHYL, no=471, id=769, vol=1.680000e+06
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HG) 2.164 0.585 0.585 weight 1.000 spectrum  3 peak   471 ! spec=13CMETHYL, no=471, id=769, vol=1.680000e+06
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HG) 2.164 0.585 0.585 weight 1.000 spectrum  3 peak   471 ! spec=13CMETHYL, no=471, id=769, vol=1.680000e+06
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HG) 2.164 0.585 0.585 weight 1.000 spectrum  3 peak   471 ! spec=13CMETHYL, no=471, id=769, vol=1.680000e+06
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name   HG) 2.376 0.706 0.706 weight 1.000 spectrum  3 peak   474 ! spec=13CMETHYL, no=474, id=771, vol=9.580000e+05
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name   HG) 2.376 0.706 0.706 weight 1.000 spectrum  3 peak   474 ! spec=13CMETHYL, no=474, id=771, vol=9.580000e+05
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name   HG) 2.376 0.706 0.706 weight 1.000 spectrum  3 peak   474 ! spec=13CMETHYL, no=474, id=771, vol=9.580000e+05
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name   HG) 2.376 0.706 0.706 weight 1.000 spectrum  3 peak   474 ! spec=13CMETHYL, no=474, id=771, vol=9.580000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HG) 2.179 0.593 0.593 weight 1.000 spectrum  3 peak   476 ! spec=13CMETHYL, no=476, id=773, vol=1.610000e+06
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HG) 2.179 0.593 0.593 weight 1.000 spectrum  3 peak   476 ! spec=13CMETHYL, no=476, id=773, vol=1.610000e+06
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HG) 2.179 0.593 0.593 weight 1.000 spectrum  3 peak   476 ! spec=13CMETHYL, no=476, id=773, vol=1.610000e+06
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HG) 2.179 0.593 0.593 weight 1.000 spectrum  3 peak   476 ! spec=13CMETHYL, no=476, id=773, vol=1.610000e+06
assign (segid "   A" and resid   17 and name HG1#) (segid "   A" and resid   17 and name HD1#) 1.757 0.386 0.386 weight 1.000 spectrum  3 peak   486 ! spec=13CMETHYL, no=486, id=778, vol=5.860000e+06
assign (segid "   B" and resid   17 and name HG1#) (segid "   B" and resid   17 and name HD1#) 1.757 0.386 0.386 weight 1.000 spectrum  3 peak   486 ! spec=13CMETHYL, no=486, id=778, vol=5.860000e+06
assign (segid "   C" and resid   17 and name HG1#) (segid "   C" and resid   17 and name HD1#) 1.757 0.386 0.386 weight 1.000 spectrum  3 peak   486 ! spec=13CMETHYL, no=486, id=778, vol=5.860000e+06
assign (segid "   D" and resid   17 and name HG1#) (segid "   D" and resid   17 and name HD1#) 1.757 0.386 0.386 weight 1.000 spectrum  3 peak   486 ! spec=13CMETHYL, no=486, id=778, vol=5.860000e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HG1#) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak   488 ! spec=13CMETHYL, no=488, id=779, vol=1.410000e+06
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HG1#) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak   488 ! spec=13CMETHYL, no=488, id=779, vol=1.410000e+06
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HG1#) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak   488 ! spec=13CMETHYL, no=488, id=779, vol=1.410000e+06
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HG1#) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak   488 ! spec=13CMETHYL, no=488, id=779, vol=1.410000e+06
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HB#) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak   498 ! spec=13CMETHYL, no=498, id=786, vol=1.500000e+06
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HB#) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak   498 ! spec=13CMETHYL, no=498, id=786, vol=1.500000e+06
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HB#) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak   498 ! spec=13CMETHYL, no=498, id=786, vol=1.500000e+06
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HB#) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak   498 ! spec=13CMETHYL, no=498, id=786, vol=1.500000e+06
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HB#) 2.222 0.617 0.617 weight 1.000 spectrum  3 peak   499 ! spec=13CMETHYL, no=499, id=787, vol=1.430000e+06
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HB#) 2.222 0.617 0.617 weight 1.000 spectrum  3 peak   499 ! spec=13CMETHYL, no=499, id=787, vol=1.430000e+06
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HB#) 2.222 0.617 0.617 weight 1.000 spectrum  3 peak   499 ! spec=13CMETHYL, no=499, id=787, vol=1.430000e+06
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HB#) 2.222 0.617 0.617 weight 1.000 spectrum  3 peak   499 ! spec=13CMETHYL, no=499, id=787, vol=1.430000e+06
assign (segid "   A" and resid   27 and name  HB#) (segid "   A" and resid   27 and name   HG) 2.624 0.861 0.861 weight 1.000 spectrum  3 peak   500 ! spec=13CMETHYL, no=500, id=788, vol=5.280000e+05
assign (segid "   B" and resid   27 and name  HB#) (segid "   B" and resid   27 and name   HG) 2.624 0.861 0.861 weight 1.000 spectrum  3 peak   500 ! spec=13CMETHYL, no=500, id=788, vol=5.280000e+05
assign (segid "   C" and resid   27 and name  HB#) (segid "   C" and resid   27 and name   HG) 2.624 0.861 0.861 weight 1.000 spectrum  3 peak   500 ! spec=13CMETHYL, no=500, id=788, vol=5.280000e+05
assign (segid "   D" and resid   27 and name  HB#) (segid "   D" and resid   27 and name   HG) 2.624 0.861 0.861 weight 1.000 spectrum  3 peak   500 ! spec=13CMETHYL, no=500, id=788, vol=5.280000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name  HB#) 1.936 0.469 0.469 weight 1.000 spectrum  3 peak   508 ! spec=13CMETHYL, no=508, id=790, vol=3.270000e+06
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name  HB#) 1.936 0.469 0.469 weight 1.000 spectrum  3 peak   508 ! spec=13CMETHYL, no=508, id=790, vol=3.270000e+06
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name  HB#) 1.936 0.469 0.469 weight 1.000 spectrum  3 peak   508 ! spec=13CMETHYL, no=508, id=790, vol=3.270000e+06
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name  HB#) 1.936 0.469 0.469 weight 1.000 spectrum  3 peak   508 ! spec=13CMETHYL, no=508, id=790, vol=3.270000e+06
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name  HB#) 1.721 0.370 0.370 weight 1.000 spectrum  3 peak   510 ! spec=13CMETHYL, no=510, id=791, vol=6.630000e+06
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name  HB#) 1.721 0.370 0.370 weight 1.000 spectrum  3 peak   510 ! spec=13CMETHYL, no=510, id=791, vol=6.630000e+06
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name  HB#) 1.721 0.370 0.370 weight 1.000 spectrum  3 peak   510 ! spec=13CMETHYL, no=510, id=791, vol=6.630000e+06
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name  HB#) 1.721 0.370 0.370 weight 1.000 spectrum  3 peak   510 ! spec=13CMETHYL, no=510, id=791, vol=6.630000e+06
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   520 ! spec=13CMETHYL, no=520, id=796, vol=1.850000e+06
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   520 ! spec=13CMETHYL, no=520, id=796, vol=1.850000e+06
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   520 ! spec=13CMETHYL, no=520, id=796, vol=1.850000e+06
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name  HB#) 2.129 0.567 0.567 weight 1.000 spectrum  3 peak   520 ! spec=13CMETHYL, no=520, id=796, vol=1.850000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.090 0.546 0.546 weight 1.000 spectrum  3 peak   521 ! spec=13CMETHYL, no=521, id=797, vol=2.070000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.090 0.546 0.546 weight 1.000 spectrum  3 peak   521 ! spec=13CMETHYL, no=521, id=797, vol=2.070000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.090 0.546 0.546 weight 1.000 spectrum  3 peak   521 ! spec=13CMETHYL, no=521, id=797, vol=2.070000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.090 0.546 0.546 weight 1.000 spectrum  3 peak   521 ! spec=13CMETHYL, no=521, id=797, vol=2.070000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.273 0.646 0.646 weight 1.000 spectrum  3 peak   522 ! spec=13CMETHYL, no=522, id=798, vol=1.250000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.273 0.646 0.646 weight 1.000 spectrum  3 peak   522 ! spec=13CMETHYL, no=522, id=798, vol=1.250000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.273 0.646 0.646 weight 1.000 spectrum  3 peak   522 ! spec=13CMETHYL, no=522, id=798, vol=1.250000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.273 0.646 0.646 weight 1.000 spectrum  3 peak   522 ! spec=13CMETHYL, no=522, id=798, vol=1.250000e+06
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name  HB#) 1.894 0.449 0.449 weight 1.000 spectrum  3 peak   532 ! spec=13CMETHYL, no=532, id=802, vol=3.730000e+06
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name  HB#) 1.894 0.449 0.449 weight 1.000 spectrum  3 peak   532 ! spec=13CMETHYL, no=532, id=802, vol=3.730000e+06
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name  HB#) 1.894 0.449 0.449 weight 1.000 spectrum  3 peak   532 ! spec=13CMETHYL, no=532, id=802, vol=3.730000e+06
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name  HB#) 1.894 0.449 0.449 weight 1.000 spectrum  3 peak   532 ! spec=13CMETHYL, no=532, id=802, vol=3.730000e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HG1#) 2.449 0.750 0.750 weight 1.000 spectrum  3 peak   536 ! spec=13CMETHYL, no=536, id=804, vol=7.990000e+05
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HG1#) 2.449 0.750 0.750 weight 1.000 spectrum  3 peak   536 ! spec=13CMETHYL, no=536, id=804, vol=7.990000e+05
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HG1#) 2.449 0.750 0.750 weight 1.000 spectrum  3 peak   536 ! spec=13CMETHYL, no=536, id=804, vol=7.990000e+05
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HG1#) 2.449 0.750 0.750 weight 1.000 spectrum  3 peak   536 ! spec=13CMETHYL, no=536, id=804, vol=7.990000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HG#) 2.301 0.662 0.662 weight 1.000 spectrum  3 peak   538 ! spec=13CMETHYL, no=538, id=806, vol=1.160000e+06
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HG#) 2.301 0.662 0.662 weight 1.000 spectrum  3 peak   538 ! spec=13CMETHYL, no=538, id=806, vol=1.160000e+06
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HG#) 2.301 0.662 0.662 weight 1.000 spectrum  3 peak   538 ! spec=13CMETHYL, no=538, id=806, vol=1.160000e+06
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HG#) 2.301 0.662 0.662 weight 1.000 spectrum  3 peak   538 ! spec=13CMETHYL, no=538, id=806, vol=1.160000e+06
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name HG2#) 1.845 0.425 0.425 weight 1.000 spectrum  3 peak   540 ! spec=13CMETHYL, no=540, id=808, vol=4.370000e+06
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name HG2#) 1.845 0.425 0.425 weight 1.000 spectrum  3 peak   540 ! spec=13CMETHYL, no=540, id=808, vol=4.370000e+06
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name HG2#) 1.845 0.425 0.425 weight 1.000 spectrum  3 peak   540 ! spec=13CMETHYL, no=540, id=808, vol=4.370000e+06
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name HG2#) 1.845 0.425 0.425 weight 1.000 spectrum  3 peak   540 ! spec=13CMETHYL, no=540, id=808, vol=4.370000e+06
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   20 and name  HG#) 2.215 0.613 0.613 weight 1.000 spectrum  3 peak   543 ! spec=13CMETHYL, no=543, id=810, vol=1.460000e+06
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   20 and name  HG#) 2.215 0.613 0.613 weight 1.000 spectrum  3 peak   543 ! spec=13CMETHYL, no=543, id=810, vol=1.460000e+06
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   20 and name  HG#) 2.215 0.613 0.613 weight 1.000 spectrum  3 peak   543 ! spec=13CMETHYL, no=543, id=810, vol=1.460000e+06
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   20 and name  HG#) 2.215 0.613 0.613 weight 1.000 spectrum  3 peak   543 ! spec=13CMETHYL, no=543, id=810, vol=1.460000e+06
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name  HB#) 1.909 0.456 0.456 weight 1.000 spectrum  3 peak   545 ! spec=13CMETHYL, no=545, id=812, vol=3.560000e+06
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name  HB#) 1.909 0.456 0.456 weight 1.000 spectrum  3 peak   545 ! spec=13CMETHYL, no=545, id=812, vol=3.560000e+06
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name  HB#) 1.909 0.456 0.456 weight 1.000 spectrum  3 peak   545 ! spec=13CMETHYL, no=545, id=812, vol=3.560000e+06
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name  HB#) 1.909 0.456 0.456 weight 1.000 spectrum  3 peak   545 ! spec=13CMETHYL, no=545, id=812, vol=3.560000e+06
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name  HB#) 1.780 1.780 4.220 weight 1.000 spectrum  3 peak   550 ! spec=13CMETHYL, no=550, id=816, vol=5.410000e+06
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name  HB#) 1.780 1.780 4.220 weight 1.000 spectrum  3 peak   550 ! spec=13CMETHYL, no=550, id=816, vol=5.410000e+06
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name  HB#) 1.780 1.780 4.220 weight 1.000 spectrum  3 peak   550 ! spec=13CMETHYL, no=550, id=816, vol=5.410000e+06
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name  HB#) 1.780 1.780 4.220 weight 1.000 spectrum  3 peak   550 ! spec=13CMETHYL, no=550, id=816, vol=5.410000e+06
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name  HB#) 2.155 0.581 0.581 weight 1.000 spectrum  3 peak   564 ! spec=13CMETHYL, no=564, id=822, vol=1.720000e+06
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name  HB#) 2.155 0.581 0.581 weight 1.000 spectrum  3 peak   564 ! spec=13CMETHYL, no=564, id=822, vol=1.720000e+06
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name  HB#) 2.155 0.581 0.581 weight 1.000 spectrum  3 peak   564 ! spec=13CMETHYL, no=564, id=822, vol=1.720000e+06
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name  HB#) 2.155 0.581 0.581 weight 1.000 spectrum  3 peak   564 ! spec=13CMETHYL, no=564, id=822, vol=1.720000e+06
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HB#) 2.121 0.563 0.563 weight 1.000 spectrum  3 peak   568 ! spec=13CMETHYL, no=568, id=824, vol=1.890000e+06
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HB#) 2.121 0.563 0.563 weight 1.000 spectrum  3 peak   568 ! spec=13CMETHYL, no=568, id=824, vol=1.890000e+06
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HB#) 2.121 0.563 0.563 weight 1.000 spectrum  3 peak   568 ! spec=13CMETHYL, no=568, id=824, vol=1.890000e+06
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HB#) 2.121 0.563 0.563 weight 1.000 spectrum  3 peak   568 ! spec=13CMETHYL, no=568, id=824, vol=1.890000e+06
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   569 ! spec=13CMETHYL, no=569, id=825, vol=1.230000e+06
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   569 ! spec=13CMETHYL, no=569, id=825, vol=1.230000e+06
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   569 ! spec=13CMETHYL, no=569, id=825, vol=1.230000e+06
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak   569 ! spec=13CMETHYL, no=569, id=825, vol=1.230000e+06
assign (segid "   A" and resid   19 and name  HE#) (segid "   A" and resid   19 and name  HG#) 1.687 0.356 0.465 weight 1.000 spectrum  3 peak   574 ! spec=13CMETHYL, no=574, id=826, vol=7.480000e+06
assign (segid "   B" and resid   19 and name  HE#) (segid "   B" and resid   19 and name  HG#) 1.687 0.356 0.465 weight 1.000 spectrum  3 peak   574 ! spec=13CMETHYL, no=574, id=826, vol=7.480000e+06
assign (segid "   C" and resid   19 and name  HE#) (segid "   C" and resid   19 and name  HG#) 1.687 0.356 0.465 weight 1.000 spectrum  3 peak   574 ! spec=13CMETHYL, no=574, id=826, vol=7.480000e+06
assign (segid "   D" and resid   19 and name  HE#) (segid "   D" and resid   19 and name  HG#) 1.687 0.356 0.465 weight 1.000 spectrum  3 peak   574 ! spec=13CMETHYL, no=574, id=826, vol=7.480000e+06
assign (segid "   A" and resid   27 and name   HG) (segid "   C" and resid   28 and name  HE#) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak   576 ! spec=13CMETHYL, no=576, id=827, vol=1.190000e+05
assign (segid "   B" and resid   27 and name   HG) (segid "   D" and resid   28 and name  HE#) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak   576 ! spec=13CMETHYL, no=576, id=827, vol=1.190000e+05
assign (segid "   C" and resid   27 and name   HG) (segid "   A" and resid   28 and name  HE#) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak   576 ! spec=13CMETHYL, no=576, id=827, vol=1.190000e+05
assign (segid "   D" and resid   27 and name   HG) (segid "   B" and resid   28 and name  HE#) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak   576 ! spec=13CMETHYL, no=576, id=827, vol=1.190000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name  HG#) 1.919 0.460 0.460 weight 1.000 spectrum  3 peak   598 ! spec=13CMETHYL, no=598, id=837, vol=3.450000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name  HG#) 1.919 0.460 0.460 weight 1.000 spectrum  3 peak   598 ! spec=13CMETHYL, no=598, id=837, vol=3.450000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name  HG#) 1.919 0.460 0.460 weight 1.000 spectrum  3 peak   598 ! spec=13CMETHYL, no=598, id=837, vol=3.450000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name  HG#) 1.919 0.460 0.460 weight 1.000 spectrum  3 peak   598 ! spec=13CMETHYL, no=598, id=837, vol=3.450000e+06
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HE#) 2.308 2.308 3.692 weight 1.000 spectrum  3 peak   602 ! spec=13CMETHYL, no=602, id=839, vol=1.140000e+06
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HE#) 2.308 2.308 3.692 weight 1.000 spectrum  3 peak   602 ! spec=13CMETHYL, no=602, id=839, vol=1.140000e+06
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HE#) 2.308 2.308 3.692 weight 1.000 spectrum  3 peak   602 ! spec=13CMETHYL, no=602, id=839, vol=1.140000e+06
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HE#) 2.308 2.308 3.692 weight 1.000 spectrum  3 peak   602 ! spec=13CMETHYL, no=602, id=839, vol=1.140000e+06
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name  HE#) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak   603 ! spec=13CMETHYL, no=603, id=840, vol=6.260000e+05
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name  HE#) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak   603 ! spec=13CMETHYL, no=603, id=840, vol=6.260000e+05
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name  HE#) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak   603 ! spec=13CMETHYL, no=603, id=840, vol=6.260000e+05
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name  HE#) 2.550 2.550 3.450 weight 1.000 spectrum  3 peak   603 ! spec=13CMETHYL, no=603, id=840, vol=6.260000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   40 and name  HB#) 2.005 0.503 0.503 weight 1.000 spectrum  3 peak   604 ! spec=13CMETHYL, no=604, id=841, vol=2.650000e+06
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   40 and name  HB#) 2.005 0.503 0.503 weight 1.000 spectrum  3 peak   604 ! spec=13CMETHYL, no=604, id=841, vol=2.650000e+06
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   40 and name  HB#) 2.005 0.503 0.503 weight 1.000 spectrum  3 peak   604 ! spec=13CMETHYL, no=604, id=841, vol=2.650000e+06
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   40 and name  HB#) 2.005 0.503 0.503 weight 1.000 spectrum  3 peak   604 ! spec=13CMETHYL, no=604, id=841, vol=2.650000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HB#) 1.998 0.499 0.499 weight 1.000 spectrum  3 peak   610 ! spec=13CMETHYL, no=610, id=845, vol=2.710000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HB#) 1.998 0.499 0.499 weight 1.000 spectrum  3 peak   610 ! spec=13CMETHYL, no=610, id=845, vol=2.710000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HB#) 1.998 0.499 0.499 weight 1.000 spectrum  3 peak   610 ! spec=13CMETHYL, no=610, id=845, vol=2.710000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HB#) 1.998 0.499 0.499 weight 1.000 spectrum  3 peak   610 ! spec=13CMETHYL, no=610, id=845, vol=2.710000e+06
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   12 and name  HG#) 2.292 0.656 0.656 weight 1.000 spectrum  3 peak   614 ! spec=13CMETHYL, no=614, id=848, vol=1.190000e+06
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   12 and name  HG#) 2.292 0.656 0.656 weight 1.000 spectrum  3 peak   614 ! spec=13CMETHYL, no=614, id=848, vol=1.190000e+06
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   12 and name  HG#) 2.292 0.656 0.656 weight 1.000 spectrum  3 peak   614 ! spec=13CMETHYL, no=614, id=848, vol=1.190000e+06
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   12 and name  HG#) 2.292 0.656 0.656 weight 1.000 spectrum  3 peak   614 ! spec=13CMETHYL, no=614, id=848, vol=1.190000e+06
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name  HB#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak   615 ! spec=13CMETHYL, no=615, id=849, vol=3.390000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name  HB#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak   615 ! spec=13CMETHYL, no=615, id=849, vol=3.390000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name  HB#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak   615 ! spec=13CMETHYL, no=615, id=849, vol=3.390000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name  HB#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak   615 ! spec=13CMETHYL, no=615, id=849, vol=3.390000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   16 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   623 ! spec=13CMETHYL, no=623, id=852, vol=1.510000e+06
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   16 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   623 ! spec=13CMETHYL, no=623, id=852, vol=1.510000e+06
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   16 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   623 ! spec=13CMETHYL, no=623, id=852, vol=1.510000e+06
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   16 and name  HB#) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak   623 ! spec=13CMETHYL, no=623, id=852, vol=1.510000e+06
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   29 and name  HB#) 1.686 0.355 0.355 weight 1.000 spectrum  3 peak   626 ! spec=13CMETHYL, no=626, id=855, vol=7.500000e+06
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   29 and name  HB#) 1.686 0.355 0.355 weight 1.000 spectrum  3 peak   626 ! spec=13CMETHYL, no=626, id=855, vol=7.500000e+06
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   29 and name  HB#) 1.686 0.355 0.355 weight 1.000 spectrum  3 peak   626 ! spec=13CMETHYL, no=626, id=855, vol=7.500000e+06
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   29 and name  HB#) 1.686 0.355 0.355 weight 1.000 spectrum  3 peak   626 ! spec=13CMETHYL, no=626, id=855, vol=7.500000e+06
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HG#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak   627 ! spec=13CMETHYL, no=627, id=856, vol=1.170000e+06
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HG#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak   627 ! spec=13CMETHYL, no=627, id=856, vol=1.170000e+06
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HG#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak   627 ! spec=13CMETHYL, no=627, id=856, vol=1.170000e+06
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HG#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak   627 ! spec=13CMETHYL, no=627, id=856, vol=1.170000e+06
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    2 and name  HB#) 1.730 1.730 4.270 weight 1.000 spectrum  3 peak   642 ! spec=13CMETHYL, no=642, id=861, vol=6.430000e+06
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    2 and name  HB#) 1.730 1.730 4.270 weight 1.000 spectrum  3 peak   642 ! spec=13CMETHYL, no=642, id=861, vol=6.430000e+06
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    2 and name  HB#) 1.730 1.730 4.270 weight 1.000 spectrum  3 peak   642 ! spec=13CMETHYL, no=642, id=861, vol=6.430000e+06
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    2 and name  HB#) 1.730 1.730 4.270 weight 1.000 spectrum  3 peak   642 ! spec=13CMETHYL, no=642, id=861, vol=6.430000e+06
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak   644 ! spec=13CMETHYL, no=644, id=862, vol=6.550000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak   644 ! spec=13CMETHYL, no=644, id=862, vol=6.550000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak   644 ! spec=13CMETHYL, no=644, id=862, vol=6.550000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak   644 ! spec=13CMETHYL, no=644, id=862, vol=6.550000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HG#) 2.657 0.882 0.882 weight 1.000 spectrum  3 peak   657 ! spec=13CMETHYL, no=657, id=868, vol=4.900000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HG#) 2.657 0.882 0.882 weight 1.000 spectrum  3 peak   657 ! spec=13CMETHYL, no=657, id=868, vol=4.900000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HG#) 2.657 0.882 0.882 weight 1.000 spectrum  3 peak   657 ! spec=13CMETHYL, no=657, id=868, vol=4.900000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HG#) 2.657 0.882 0.882 weight 1.000 spectrum  3 peak   657 ! spec=13CMETHYL, no=657, id=868, vol=4.900000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HG#) 2.639 0.871 0.871 weight 1.000 spectrum  3 peak   658 ! spec=13CMETHYL, no=658, id=869, vol=5.100000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HG#) 2.639 0.871 0.871 weight 1.000 spectrum  3 peak   658 ! spec=13CMETHYL, no=658, id=869, vol=5.100000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HG#) 2.639 0.871 0.871 weight 1.000 spectrum  3 peak   658 ! spec=13CMETHYL, no=658, id=869, vol=5.100000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HG#) 2.639 0.871 0.871 weight 1.000 spectrum  3 peak   658 ! spec=13CMETHYL, no=658, id=869, vol=5.100000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HB#) 2.368 0.701 0.701 weight 1.000 spectrum  3 peak   660 ! spec=13CMETHYL, no=660, id=870, vol=9.770000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HB#) 2.368 0.701 0.701 weight 1.000 spectrum  3 peak   660 ! spec=13CMETHYL, no=660, id=870, vol=9.770000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HB#) 2.368 0.701 0.701 weight 1.000 spectrum  3 peak   660 ! spec=13CMETHYL, no=660, id=870, vol=9.770000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HB#) 2.368 0.701 0.701 weight 1.000 spectrum  3 peak   660 ! spec=13CMETHYL, no=660, id=870, vol=9.770000e+05
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name  HG#) 2.170 0.589 0.589 weight 1.000 spectrum  3 peak   675 ! spec=13CMETHYL, no=675, id=879, vol=1.650000e+06
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name  HG#) 2.170 0.589 0.589 weight 1.000 spectrum  3 peak   675 ! spec=13CMETHYL, no=675, id=879, vol=1.650000e+06
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name  HG#) 2.170 0.589 0.589 weight 1.000 spectrum  3 peak   675 ! spec=13CMETHYL, no=675, id=879, vol=1.650000e+06
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name  HG#) 2.170 0.589 0.589 weight 1.000 spectrum  3 peak   675 ! spec=13CMETHYL, no=675, id=879, vol=1.650000e+06
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#) 2.336 0.682 0.682 weight 1.000 spectrum  3 peak   681 ! spec=13CMETHYL, no=681, id=880, vol=1.060000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#) 2.336 0.682 0.682 weight 1.000 spectrum  3 peak   681 ! spec=13CMETHYL, no=681, id=880, vol=1.060000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#) 2.336 0.682 0.682 weight 1.000 spectrum  3 peak   681 ! spec=13CMETHYL, no=681, id=880, vol=1.060000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#) 2.336 0.682 0.682 weight 1.000 spectrum  3 peak   681 ! spec=13CMETHYL, no=681, id=880, vol=1.060000e+06
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HB#) 2.188 0.598 0.598 weight 1.000 spectrum  3 peak   695 ! spec=13CMETHYL, no=695, id=890, vol=1.570000e+06
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HB#) 2.188 0.598 0.598 weight 1.000 spectrum  3 peak   695 ! spec=13CMETHYL, no=695, id=890, vol=1.570000e+06
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HB#) 2.188 0.598 0.598 weight 1.000 spectrum  3 peak   695 ! spec=13CMETHYL, no=695, id=890, vol=1.570000e+06
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HB#) 2.188 0.598 0.598 weight 1.000 spectrum  3 peak   695 ! spec=13CMETHYL, no=695, id=890, vol=1.570000e+06
assign (segid "   A" and resid   23 and name  HB#) (segid "   A" and resid   23 and name  HB#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   715 ! spec=13CMETHYL, no=715, id=900, vol=7.950000e+06
assign (segid "   B" and resid   23 and name  HB#) (segid "   B" and resid   23 and name  HB#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   715 ! spec=13CMETHYL, no=715, id=900, vol=7.950000e+06
assign (segid "   C" and resid   23 and name  HB#) (segid "   C" and resid   23 and name  HB#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   715 ! spec=13CMETHYL, no=715, id=900, vol=7.950000e+06
assign (segid "   D" and resid   23 and name  HB#) (segid "   D" and resid   23 and name  HB#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   715 ! spec=13CMETHYL, no=715, id=900, vol=7.950000e+06
assign (segid "   A" and resid   25 and name  HB#) (segid "   B" and resid   14 and name  HB#) 3.583 1.605 1.605 weight 1.000 spectrum  3 peak   733 ! spec=13CMETHYL, no=733, id=911, vol=8.140000e+04
assign (segid "   B" and resid   25 and name  HB#) (segid "   A" and resid   14 and name  HB#) 3.583 1.605 1.605 weight 1.000 spectrum  3 peak   733 ! spec=13CMETHYL, no=733, id=911, vol=8.140000e+04
assign (segid "   C" and resid   25 and name  HB#) (segid "   D" and resid   14 and name  HB#) 3.583 1.605 1.605 weight 1.000 spectrum  3 peak   733 ! spec=13CMETHYL, no=733, id=911, vol=8.140000e+04
assign (segid "   D" and resid   25 and name  HB#) (segid "   C" and resid   14 and name  HB#) 3.583 1.605 1.605 weight 1.000 spectrum  3 peak   733 ! spec=13CMETHYL, no=733, id=911, vol=8.140000e+04
assign (segid "   A" and resid   13 and name  HG#) (segid "   A" and resid   13 and name  HB#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   742 ! spec=13CMETHYL, no=742, id=916, vol=2.170000e+06
assign (segid "   B" and resid   13 and name  HG#) (segid "   B" and resid   13 and name  HB#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   742 ! spec=13CMETHYL, no=742, id=916, vol=2.170000e+06
assign (segid "   C" and resid   13 and name  HG#) (segid "   C" and resid   13 and name  HB#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   742 ! spec=13CMETHYL, no=742, id=916, vol=2.170000e+06
assign (segid "   D" and resid   13 and name  HG#) (segid "   D" and resid   13 and name  HB#) 2.073 0.537 0.537 weight 1.000 spectrum  3 peak   742 ! spec=13CMETHYL, no=742, id=916, vol=2.170000e+06
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   33 and name  HB#) 2.076 0.539 0.539 weight 1.000 spectrum  3 peak   744 ! spec=13CMETHYL, no=744, id=918, vol=2.150000e+06
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   33 and name  HB#) 2.076 0.539 0.539 weight 1.000 spectrum  3 peak   744 ! spec=13CMETHYL, no=744, id=918, vol=2.150000e+06
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   33 and name  HB#) 2.076 0.539 0.539 weight 1.000 spectrum  3 peak   744 ! spec=13CMETHYL, no=744, id=918, vol=2.150000e+06
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   33 and name  HB#) 2.076 0.539 0.539 weight 1.000 spectrum  3 peak   744 ! spec=13CMETHYL, no=744, id=918, vol=2.150000e+06
assign (segid "   A" and resid   10 and name  HB#) (segid "   B" and resid   26 and name  HG#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak   751 ! spec=13CMETHYL, no=751, id=923, vol=2.700000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   A" and resid   26 and name  HG#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak   751 ! spec=13CMETHYL, no=751, id=923, vol=2.700000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   D" and resid   26 and name  HG#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak   751 ! spec=13CMETHYL, no=751, id=923, vol=2.700000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   C" and resid   26 and name  HG#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak   751 ! spec=13CMETHYL, no=751, id=923, vol=2.700000e+05
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HG#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   753 ! spec=13CMETHYL, no=753, id=925, vol=7.940000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HG#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   753 ! spec=13CMETHYL, no=753, id=925, vol=7.940000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HG#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   753 ! spec=13CMETHYL, no=753, id=925, vol=7.940000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HG#) 1.670 0.349 0.349 weight 1.000 spectrum  3 peak   753 ! spec=13CMETHYL, no=753, id=925, vol=7.940000e+06
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   29 and name  HB#) 2.318 0.672 0.672 weight 1.000 spectrum  3 peak   755 ! spec=13CMETHYL, no=755, id=926, vol=1.110000e+06
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   29 and name  HB#) 2.318 0.672 0.672 weight 1.000 spectrum  3 peak   755 ! spec=13CMETHYL, no=755, id=926, vol=1.110000e+06
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   29 and name  HB#) 2.318 0.672 0.672 weight 1.000 spectrum  3 peak   755 ! spec=13CMETHYL, no=755, id=926, vol=1.110000e+06
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   29 and name  HB#) 2.318 0.672 0.672 weight 1.000 spectrum  3 peak   755 ! spec=13CMETHYL, no=755, id=926, vol=1.110000e+06
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HG#) 2.344 0.687 0.687 weight 1.000 spectrum  3 peak   767 ! spec=13CMETHYL, no=767, id=934, vol=1.040000e+06
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HG#) 2.344 0.687 0.687 weight 1.000 spectrum  3 peak   767 ! spec=13CMETHYL, no=767, id=934, vol=1.040000e+06
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HG#) 2.344 0.687 0.687 weight 1.000 spectrum  3 peak   767 ! spec=13CMETHYL, no=767, id=934, vol=1.040000e+06
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HG#) 2.344 0.687 0.687 weight 1.000 spectrum  3 peak   767 ! spec=13CMETHYL, no=767, id=934, vol=1.040000e+06
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HB#) 2.018 0.509 0.509 weight 1.000 spectrum  3 peak   773 ! spec=13CMETHYL, no=773, id=936, vol=2.550000e+06
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HB#) 2.018 0.509 0.509 weight 1.000 spectrum  3 peak   773 ! spec=13CMETHYL, no=773, id=936, vol=2.550000e+06
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HB#) 2.018 0.509 0.509 weight 1.000 spectrum  3 peak   773 ! spec=13CMETHYL, no=773, id=936, vol=2.550000e+06
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HB#) 2.018 0.509 0.509 weight 1.000 spectrum  3 peak   773 ! spec=13CMETHYL, no=773, id=936, vol=2.550000e+06
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   23 and name  HG#) 1.952 0.477 0.477 weight 1.000 spectrum  3 peak   776 ! spec=13CMETHYL, no=776, id=937, vol=3.110000e+06
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   23 and name  HG#) 1.952 0.477 0.477 weight 1.000 spectrum  3 peak   776 ! spec=13CMETHYL, no=776, id=937, vol=3.110000e+06
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   23 and name  HG#) 1.952 0.477 0.477 weight 1.000 spectrum  3 peak   776 ! spec=13CMETHYL, no=776, id=937, vol=3.110000e+06
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   23 and name  HG#) 1.952 0.477 0.477 weight 1.000 spectrum  3 peak   776 ! spec=13CMETHYL, no=776, id=937, vol=3.110000e+06
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name  HB#) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak   790 ! spec=13CMETHYL, no=790, id=944, vol=1.200000e+06
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name  HB#) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak   790 ! spec=13CMETHYL, no=790, id=944, vol=1.200000e+06
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name  HB#) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak   790 ! spec=13CMETHYL, no=790, id=944, vol=1.200000e+06
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name  HB#) 2.288 0.655 0.655 weight 1.000 spectrum  3 peak   790 ! spec=13CMETHYL, no=790, id=944, vol=1.200000e+06
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   12 and name  HG#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak   811 ! spec=13CMETHYL, no=811, id=956, vol=4.450000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   12 and name  HG#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak   811 ! spec=13CMETHYL, no=811, id=956, vol=4.450000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   12 and name  HG#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak   811 ! spec=13CMETHYL, no=811, id=956, vol=4.450000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   12 and name  HG#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak   811 ! spec=13CMETHYL, no=811, id=956, vol=4.450000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    3 and name  HB#) 3.302 1.363 1.483 weight 1.000 spectrum  3 peak   812 ! spec=13CMETHYL, no=812, id=957, vol=1.330000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    3 and name  HB#) 3.302 1.363 1.483 weight 1.000 spectrum  3 peak   812 ! spec=13CMETHYL, no=812, id=957, vol=1.330000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    3 and name  HB#) 3.302 1.363 1.483 weight 1.000 spectrum  3 peak   812 ! spec=13CMETHYL, no=812, id=957, vol=1.330000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    3 and name  HB#) 3.302 1.363 1.483 weight 1.000 spectrum  3 peak   812 ! spec=13CMETHYL, no=812, id=957, vol=1.330000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    3 and name  HB#) 3.125 1.221 1.599 weight 1.000 spectrum  3 peak   813 ! spec=13CMETHYL, no=813, id=958, vol=1.850000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    3 and name  HB#) 3.125 1.221 1.599 weight 1.000 spectrum  3 peak   813 ! spec=13CMETHYL, no=813, id=958, vol=1.850000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    3 and name  HB#) 3.125 1.221 1.599 weight 1.000 spectrum  3 peak   813 ! spec=13CMETHYL, no=813, id=958, vol=1.850000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    3 and name  HB#) 3.125 1.221 1.599 weight 1.000 spectrum  3 peak   813 ! spec=13CMETHYL, no=813, id=958, vol=1.850000e+05
assign (segid "   A" and resid    5 and name  HB#) (segid "   B" and resid   15 and name  HB#) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak   815 ! spec=13CMETHYL, no=815, id=959, vol=1.020000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   A" and resid   15 and name  HB#) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak   815 ! spec=13CMETHYL, no=815, id=959, vol=1.020000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   D" and resid   15 and name  HB#) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak   815 ! spec=13CMETHYL, no=815, id=959, vol=1.020000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   C" and resid   15 and name  HB#) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak   815 ! spec=13CMETHYL, no=815, id=959, vol=1.020000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name  HB#) 3.215 3.215 2.785 weight 1.000 spectrum  3 peak   820 ! spec=13CMETHYL, no=820, id=961, vol=1.560000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name  HB#) 3.215 3.215 2.785 weight 1.000 spectrum  3 peak   820 ! spec=13CMETHYL, no=820, id=961, vol=1.560000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name  HB#) 3.215 3.215 2.785 weight 1.000 spectrum  3 peak   820 ! spec=13CMETHYL, no=820, id=961, vol=1.560000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name  HB#) 3.215 3.215 2.785 weight 1.000 spectrum  3 peak   820 ! spec=13CMETHYL, no=820, id=961, vol=1.560000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    3 and name  HB#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak   822 ! spec=13CMETHYL, no=822, id=962, vol=2.640000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    3 and name  HB#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak   822 ! spec=13CMETHYL, no=822, id=962, vol=2.640000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    3 and name  HB#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak   822 ! spec=13CMETHYL, no=822, id=962, vol=2.640000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    3 and name  HB#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak   822 ! spec=13CMETHYL, no=822, id=962, vol=2.640000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak   839 ! spec=13CMETHYL, no=839, id=970, vol=1.350000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak   839 ! spec=13CMETHYL, no=839, id=970, vol=1.350000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak   839 ! spec=13CMETHYL, no=839, id=970, vol=1.350000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HB#) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak   839 ! spec=13CMETHYL, no=839, id=970, vol=1.350000e+05
assign (segid "   A" and resid    5 and name  HB#) (segid "   B" and resid   15 and name  HB#) 2.612 2.612 3.388 weight 1.000 spectrum  3 peak   840 ! spec=13CMETHYL, no=840, id=971, vol=5.430000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   A" and resid   15 and name  HB#) 2.612 2.612 3.388 weight 1.000 spectrum  3 peak   840 ! spec=13CMETHYL, no=840, id=971, vol=5.430000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   D" and resid   15 and name  HB#) 2.612 2.612 3.388 weight 1.000 spectrum  3 peak   840 ! spec=13CMETHYL, no=840, id=971, vol=5.430000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   C" and resid   15 and name  HB#) 2.612 2.612 3.388 weight 1.000 spectrum  3 peak   840 ! spec=13CMETHYL, no=840, id=971, vol=5.430000e+05
assign (segid "   A" and resid   15 and name  HB#) (segid "   A" and resid   15 and name  HB#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak   842 ! spec=13CMETHYL, no=842, id=972, vol=3.140000e+05
assign (segid "   B" and resid   15 and name  HB#) (segid "   B" and resid   15 and name  HB#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak   842 ! spec=13CMETHYL, no=842, id=972, vol=3.140000e+05
assign (segid "   C" and resid   15 and name  HB#) (segid "   C" and resid   15 and name  HB#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak   842 ! spec=13CMETHYL, no=842, id=972, vol=3.140000e+05
assign (segid "   D" and resid   15 and name  HB#) (segid "   D" and resid   15 and name  HB#) 2.861 1.023 1.023 weight 1.000 spectrum  3 peak   842 ! spec=13CMETHYL, no=842, id=972, vol=3.140000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name  HB#) 3.558 1.583 1.583 weight 1.000 spectrum  3 peak   844 ! spec=13CMETHYL, no=844, id=973, vol=8.490000e+04
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name  HB#) 3.558 1.583 1.583 weight 1.000 spectrum  3 peak   844 ! spec=13CMETHYL, no=844, id=973, vol=8.490000e+04
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name  HB#) 3.558 1.583 1.583 weight 1.000 spectrum  3 peak   844 ! spec=13CMETHYL, no=844, id=973, vol=8.490000e+04
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name  HB#) 3.558 1.583 1.583 weight 1.000 spectrum  3 peak   844 ! spec=13CMETHYL, no=844, id=973, vol=8.490000e+04
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid   26 and name  HG#) 2.521 2.521 3.479 weight 1.000 spectrum  3 peak   848 ! spec=13CMETHYL, no=848, id=975, vol=6.720000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid   26 and name  HG#) 2.521 2.521 3.479 weight 1.000 spectrum  3 peak   848 ! spec=13CMETHYL, no=848, id=975, vol=6.720000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid   26 and name  HG#) 2.521 2.521 3.479 weight 1.000 spectrum  3 peak   848 ! spec=13CMETHYL, no=848, id=975, vol=6.720000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid   26 and name  HG#) 2.521 2.521 3.479 weight 1.000 spectrum  3 peak   848 ! spec=13CMETHYL, no=848, id=975, vol=6.720000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak   855 ! spec=13CMETHYL, no=855, id=979, vol=2.660000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak   855 ! spec=13CMETHYL, no=855, id=979, vol=2.660000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak   855 ! spec=13CMETHYL, no=855, id=979, vol=2.660000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak   855 ! spec=13CMETHYL, no=855, id=979, vol=2.660000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   26 and name  HG#) 3.236 3.236 2.764 weight 1.000 spectrum  3 peak   867 ! spec=13CMETHYL, no=867, id=989, vol=1.500000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   26 and name  HG#) 3.236 3.236 2.764 weight 1.000 spectrum  3 peak   867 ! spec=13CMETHYL, no=867, id=989, vol=1.500000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   26 and name  HG#) 3.236 3.236 2.764 weight 1.000 spectrum  3 peak   867 ! spec=13CMETHYL, no=867, id=989, vol=1.500000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   26 and name  HG#) 3.236 3.236 2.764 weight 1.000 spectrum  3 peak   867 ! spec=13CMETHYL, no=867, id=989, vol=1.500000e+05
assign (segid "   A" and resid   20 and name  HE#) (segid "   D" and resid   14 and name  HB#) 3.212 3.212 2.788 weight 1.000 spectrum  3 peak   872 ! spec=13CMETHYL, no=872, id=992, vol=1.570000e+05
assign (segid "   B" and resid   20 and name  HE#) (segid "   C" and resid   14 and name  HB#) 3.212 3.212 2.788 weight 1.000 spectrum  3 peak   872 ! spec=13CMETHYL, no=872, id=992, vol=1.570000e+05
assign (segid "   C" and resid   20 and name  HE#) (segid "   B" and resid   14 and name  HB#) 3.212 3.212 2.788 weight 1.000 spectrum  3 peak   872 ! spec=13CMETHYL, no=872, id=992, vol=1.570000e+05
assign (segid "   D" and resid   20 and name  HE#) (segid "   A" and resid   14 and name  HB#) 3.212 3.212 2.788 weight 1.000 spectrum  3 peak   872 ! spec=13CMETHYL, no=872, id=992, vol=1.570000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name  HE#) 2.702 0.912 0.912 weight 1.000 spectrum  3 peak   890 ! spec=13CMETHYL, no=890, id=999, vol=4.430000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name  HE#) 2.702 0.912 0.912 weight 1.000 spectrum  3 peak   890 ! spec=13CMETHYL, no=890, id=999, vol=4.430000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name  HE#) 2.702 0.912 0.912 weight 1.000 spectrum  3 peak   890 ! spec=13CMETHYL, no=890, id=999, vol=4.430000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name  HE#) 2.702 0.912 0.912 weight 1.000 spectrum  3 peak   890 ! spec=13CMETHYL, no=890, id=999, vol=4.430000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name  HE#) 3.521 1.550 1.550 weight 1.000 spectrum  3 peak   891 ! spec=13CMETHYL, no=891, id=1000, vol=9.040000e+04
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name  HE#) 3.521 1.550 1.550 weight 1.000 spectrum  3 peak   891 ! spec=13CMETHYL, no=891, id=1000, vol=9.040000e+04
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name  HE#) 3.521 1.550 1.550 weight 1.000 spectrum  3 peak   891 ! spec=13CMETHYL, no=891, id=1000, vol=9.040000e+04
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name  HE#) 3.521 1.550 1.550 weight 1.000 spectrum  3 peak   891 ! spec=13CMETHYL, no=891, id=1000, vol=9.040000e+04
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name  HG#) 1.638 0.336 0.336 weight 1.000 spectrum  3 peak   908 ! spec=13CMETHYL, no=908, id=1009, vol=8.910000e+06
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name  HG#) 1.638 0.336 0.336 weight 1.000 spectrum  3 peak   908 ! spec=13CMETHYL, no=908, id=1009, vol=8.910000e+06
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name  HG#) 1.638 0.336 0.336 weight 1.000 spectrum  3 peak   908 ! spec=13CMETHYL, no=908, id=1009, vol=8.910000e+06
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name  HG#) 1.638 0.336 0.336 weight 1.000 spectrum  3 peak   908 ! spec=13CMETHYL, no=908, id=1009, vol=8.910000e+06
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name  HD#) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak   914 ! spec=13CMETHYL, no=914, id=1013, vol=6.390000e+05
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name  HD#) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak   914 ! spec=13CMETHYL, no=914, id=1013, vol=6.390000e+05
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name  HD#) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak   914 ! spec=13CMETHYL, no=914, id=1013, vol=6.390000e+05
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name  HD#) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak   914 ! spec=13CMETHYL, no=914, id=1013, vol=6.390000e+05
assign (segid "   A" and resid   40 and name  HD#) (segid "   A" and resid   40 and name  HB#) 2.492 0.776 0.776 weight 1.000 spectrum  3 peak   916 ! spec=13CMETHYL, no=916, id=1014, vol=7.200000e+05
assign (segid "   B" and resid   40 and name  HD#) (segid "   B" and resid   40 and name  HB#) 2.492 0.776 0.776 weight 1.000 spectrum  3 peak   916 ! spec=13CMETHYL, no=916, id=1014, vol=7.200000e+05
assign (segid "   C" and resid   40 and name  HD#) (segid "   C" and resid   40 and name  HB#) 2.492 0.776 0.776 weight 1.000 spectrum  3 peak   916 ! spec=13CMETHYL, no=916, id=1014, vol=7.200000e+05
assign (segid "   D" and resid   40 and name  HD#) (segid "   D" and resid   40 and name  HB#) 2.492 0.776 0.776 weight 1.000 spectrum  3 peak   916 ! spec=13CMETHYL, no=916, id=1014, vol=7.200000e+05
assign (segid "   A" and resid   10 and name  HB#) (segid "   A" and resid   10 and name  HD#) 2.558 0.818 0.818 weight 1.000 spectrum  3 peak   920 ! spec=13CMETHYL, no=920, id=1016, vol=6.150000e+05
assign (segid "   B" and resid   10 and name  HB#) (segid "   B" and resid   10 and name  HD#) 2.558 0.818 0.818 weight 1.000 spectrum  3 peak   920 ! spec=13CMETHYL, no=920, id=1016, vol=6.150000e+05
assign (segid "   C" and resid   10 and name  HB#) (segid "   C" and resid   10 and name  HD#) 2.558 0.818 0.818 weight 1.000 spectrum  3 peak   920 ! spec=13CMETHYL, no=920, id=1016, vol=6.150000e+05
assign (segid "   D" and resid   10 and name  HB#) (segid "   D" and resid   10 and name  HD#) 2.558 0.818 0.818 weight 1.000 spectrum  3 peak   920 ! spec=13CMETHYL, no=920, id=1016, vol=6.150000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name  HD#) 2.105 0.554 0.554 weight 1.000 spectrum  3 peak   924 ! spec=13CMETHYL, no=924, id=1019, vol=1.980000e+06
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name  HD#) 2.105 0.554 0.554 weight 1.000 spectrum  3 peak   924 ! spec=13CMETHYL, no=924, id=1019, vol=1.980000e+06
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name  HD#) 2.105 0.554 0.554 weight 1.000 spectrum  3 peak   924 ! spec=13CMETHYL, no=924, id=1019, vol=1.980000e+06
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name  HD#) 2.105 0.554 0.554 weight 1.000 spectrum  3 peak   924 ! spec=13CMETHYL, no=924, id=1019, vol=1.980000e+06
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name  HD#) 2.120 0.562 0.562 weight 1.000 spectrum  3 peak   925 ! spec=13CMETHYL, no=925, id=1020, vol=1.900000e+06
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name  HD#) 2.120 0.562 0.562 weight 1.000 spectrum  3 peak   925 ! spec=13CMETHYL, no=925, id=1020, vol=1.900000e+06
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name  HD#) 2.120 0.562 0.562 weight 1.000 spectrum  3 peak   925 ! spec=13CMETHYL, no=925, id=1020, vol=1.900000e+06
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name  HD#) 2.120 0.562 0.562 weight 1.000 spectrum  3 peak   925 ! spec=13CMETHYL, no=925, id=1020, vol=1.900000e+06
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   22 and name  HE#) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak   926 ! spec=13CMETHYL, no=926, id=1021, vol=1.170000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   22 and name  HE#) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak   926 ! spec=13CMETHYL, no=926, id=1021, vol=1.170000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   22 and name  HE#) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak   926 ! spec=13CMETHYL, no=926, id=1021, vol=1.170000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   22 and name  HE#) 3.373 1.422 1.422 weight 1.000 spectrum  3 peak   926 ! spec=13CMETHYL, no=926, id=1021, vol=1.170000e+05
assign (segid "   A" and resid    2 and name  HG#) (segid "   B" and resid   10 and name  HD#) 3.508 1.538 1.538 weight 1.000 spectrum  3 peak   927 ! spec=13CMETHYL, no=927, id=1022, vol=9.250000e+04
assign (segid "   B" and resid    2 and name  HG#) (segid "   A" and resid   10 and name  HD#) 3.508 1.538 1.538 weight 1.000 spectrum  3 peak   927 ! spec=13CMETHYL, no=927, id=1022, vol=9.250000e+04
assign (segid "   C" and resid    2 and name  HG#) (segid "   D" and resid   10 and name  HD#) 3.508 1.538 1.538 weight 1.000 spectrum  3 peak   927 ! spec=13CMETHYL, no=927, id=1022, vol=9.250000e+04
assign (segid "   D" and resid    2 and name  HG#) (segid "   C" and resid   10 and name  HD#) 3.508 1.538 1.538 weight 1.000 spectrum  3 peak   927 ! spec=13CMETHYL, no=927, id=1022, vol=9.250000e+04
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name  HE#) 2.851 1.016 1.016 weight 1.000 spectrum  3 peak   930 ! spec=13CMETHYL, no=930, id=1023, vol=3.210000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name  HE#) 2.851 1.016 1.016 weight 1.000 spectrum  3 peak   930 ! spec=13CMETHYL, no=930, id=1023, vol=3.210000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name  HE#) 2.851 1.016 1.016 weight 1.000 spectrum  3 peak   930 ! spec=13CMETHYL, no=930, id=1023, vol=3.210000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name  HE#) 2.851 1.016 1.016 weight 1.000 spectrum  3 peak   930 ! spec=13CMETHYL, no=930, id=1023, vol=3.210000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name   HA) 2.562 2.562 3.438 weight 1.000 spectrum  3 peak   948 ! spec=13CMETHYL, no=948, id=1032, vol=6.100000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name   HA) 2.562 2.562 3.438 weight 1.000 spectrum  3 peak   948 ! spec=13CMETHYL, no=948, id=1032, vol=6.100000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name   HA) 2.562 2.562 3.438 weight 1.000 spectrum  3 peak   948 ! spec=13CMETHYL, no=948, id=1032, vol=6.100000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name   HA) 2.562 2.562 3.438 weight 1.000 spectrum  3 peak   948 ! spec=13CMETHYL, no=948, id=1032, vol=6.100000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name   HA) 2.394 0.716 0.716 weight 1.000 spectrum  3 peak   950 ! spec=13CMETHYL, no=950, id=1034, vol=9.150000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name   HA) 2.394 0.716 0.716 weight 1.000 spectrum  3 peak   950 ! spec=13CMETHYL, no=950, id=1034, vol=9.150000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name   HA) 2.394 0.716 0.716 weight 1.000 spectrum  3 peak   950 ! spec=13CMETHYL, no=950, id=1034, vol=9.150000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name   HA) 2.394 0.716 0.716 weight 1.000 spectrum  3 peak   950 ! spec=13CMETHYL, no=950, id=1034, vol=9.150000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   16 and name   HA) 2.833 1.004 1.218 weight 1.000 spectrum  3 peak   954 ! spec=13CMETHYL, no=954, id=1036, vol=3.330000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   16 and name   HA) 2.833 1.004 1.218 weight 1.000 spectrum  3 peak   954 ! spec=13CMETHYL, no=954, id=1036, vol=3.330000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   16 and name   HA) 2.833 1.004 1.218 weight 1.000 spectrum  3 peak   954 ! spec=13CMETHYL, no=954, id=1036, vol=3.330000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   16 and name   HA) 2.833 1.004 1.218 weight 1.000 spectrum  3 peak   954 ! spec=13CMETHYL, no=954, id=1036, vol=3.330000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   16 and name   HA) 2.672 0.893 0.893 weight 1.000 spectrum  3 peak   955 ! spec=13CMETHYL, no=955, id=1037, vol=4.730000e+05
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   16 and name   HA) 2.672 0.893 0.893 weight 1.000 spectrum  3 peak   955 ! spec=13CMETHYL, no=955, id=1037, vol=4.730000e+05
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   16 and name   HA) 2.672 0.893 0.893 weight 1.000 spectrum  3 peak   955 ! spec=13CMETHYL, no=955, id=1037, vol=4.730000e+05
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   16 and name   HA) 2.672 0.893 0.893 weight 1.000 spectrum  3 peak   955 ! spec=13CMETHYL, no=955, id=1037, vol=4.730000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.818 2.818 3.182 weight 1.000 spectrum  3 peak   963 ! spec=13CMETHYL, no=963, id=1044, vol=3.440000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.818 2.818 3.182 weight 1.000 spectrum  3 peak   963 ! spec=13CMETHYL, no=963, id=1044, vol=3.440000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.818 2.818 3.182 weight 1.000 spectrum  3 peak   963 ! spec=13CMETHYL, no=963, id=1044, vol=3.440000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.818 2.818 3.182 weight 1.000 spectrum  3 peak   963 ! spec=13CMETHYL, no=963, id=1044, vol=3.440000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.796 2.796 3.204 weight 1.000 spectrum  3 peak   965 ! spec=13CMETHYL, no=965, id=1046, vol=3.610000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.796 2.796 3.204 weight 1.000 spectrum  3 peak   965 ! spec=13CMETHYL, no=965, id=1046, vol=3.610000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.796 2.796 3.204 weight 1.000 spectrum  3 peak   965 ! spec=13CMETHYL, no=965, id=1046, vol=3.610000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.796 2.796 3.204 weight 1.000 spectrum  3 peak   965 ! spec=13CMETHYL, no=965, id=1046, vol=3.610000e+05
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.392 0.715 0.715 weight 1.000 spectrum  3 peak   966 ! spec=13CMETHYL, no=966, id=1047, vol=9.200000e+05
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.392 0.715 0.715 weight 1.000 spectrum  3 peak   966 ! spec=13CMETHYL, no=966, id=1047, vol=9.200000e+05
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.392 0.715 0.715 weight 1.000 spectrum  3 peak   966 ! spec=13CMETHYL, no=966, id=1047, vol=9.200000e+05
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.392 0.715 0.715 weight 1.000 spectrum  3 peak   966 ! spec=13CMETHYL, no=966, id=1047, vol=9.200000e+05
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak   969 ! spec=13CMETHYL, no=969, id=1050, vol=3.260000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak   969 ! spec=13CMETHYL, no=969, id=1050, vol=3.260000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak   969 ! spec=13CMETHYL, no=969, id=1050, vol=3.260000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak   969 ! spec=13CMETHYL, no=969, id=1050, vol=3.260000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak   980 ! spec=13CMETHYL, no=980, id=1055, vol=2.590000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak   980 ! spec=13CMETHYL, no=980, id=1055, vol=2.590000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak   980 ! spec=13CMETHYL, no=980, id=1055, vol=2.590000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak   980 ! spec=13CMETHYL, no=980, id=1055, vol=2.590000e+05
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   32 and name  HD#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak   981 ! spec=13CMETHYL, no=981, id=1056, vol=1.750000e+05
assign (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   32 and name  HD#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak   981 ! spec=13CMETHYL, no=981, id=1056, vol=1.750000e+05
assign (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   32 and name  HD#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak   981 ! spec=13CMETHYL, no=981, id=1056, vol=1.750000e+05
assign (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   32 and name  HD#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak   981 ! spec=13CMETHYL, no=981, id=1056, vol=1.750000e+05
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HD#) 2.502 0.783 0.783 weight 1.000 spectrum  3 peak   982 ! spec=13CMETHYL, no=982, id=1057, vol=7.020000e+05
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HD#) 2.502 0.783 0.783 weight 1.000 spectrum  3 peak   982 ! spec=13CMETHYL, no=982, id=1057, vol=7.020000e+05
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HD#) 2.502 0.783 0.783 weight 1.000 spectrum  3 peak   982 ! spec=13CMETHYL, no=982, id=1057, vol=7.020000e+05
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HD#) 2.502 0.783 0.783 weight 1.000 spectrum  3 peak   982 ! spec=13CMETHYL, no=982, id=1057, vol=7.020000e+05
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HD#) 2.630 0.864 0.864 weight 1.000 spectrum  3 peak   983 ! spec=13CMETHYL, no=983, id=1058, vol=5.210000e+05
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HD#) 2.630 0.864 0.864 weight 1.000 spectrum  3 peak   983 ! spec=13CMETHYL, no=983, id=1058, vol=5.210000e+05
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HD#) 2.630 0.864 0.864 weight 1.000 spectrum  3 peak   983 ! spec=13CMETHYL, no=983, id=1058, vol=5.210000e+05
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HD#) 2.630 0.864 0.864 weight 1.000 spectrum  3 peak   983 ! spec=13CMETHYL, no=983, id=1058, vol=5.210000e+05
assign (segid "   A" and resid   35 and name   HG) (segid "   A" and resid   36 and name   HA) 3.345 1.399 3.070 weight 1.000 spectrum  3 peak   984 ! spec=13CMETHYL, no=984, id=1059, vol=1.230000e+05
assign (segid "   B" and resid   35 and name   HG) (segid "   B" and resid   36 and name   HA) 3.345 1.399 3.070 weight 1.000 spectrum  3 peak   984 ! spec=13CMETHYL, no=984, id=1059, vol=1.230000e+05
assign (segid "   C" and resid   35 and name   HG) (segid "   C" and resid   36 and name   HA) 3.345 1.399 3.070 weight 1.000 spectrum  3 peak   984 ! spec=13CMETHYL, no=984, id=1059, vol=1.230000e+05
assign (segid "   D" and resid   35 and name   HG) (segid "   D" and resid   36 and name   HA) 3.345 1.399 3.070 weight 1.000 spectrum  3 peak   984 ! spec=13CMETHYL, no=984, id=1059, vol=1.230000e+05
assign (segid "   A" and resid   17 and name   HB) (segid "   A" and resid   17 and name   HA) 2.517 0.792 0.792 weight 1.000 spectrum  3 peak   990 ! spec=13CMETHYL, no=990, id=1061, vol=6.770000e+05
assign (segid "   B" and resid   17 and name   HB) (segid "   B" and resid   17 and name   HA) 2.517 0.792 0.792 weight 1.000 spectrum  3 peak   990 ! spec=13CMETHYL, no=990, id=1061, vol=6.770000e+05
assign (segid "   C" and resid   17 and name   HB) (segid "   C" and resid   17 and name   HA) 2.517 0.792 0.792 weight 1.000 spectrum  3 peak   990 ! spec=13CMETHYL, no=990, id=1061, vol=6.770000e+05
assign (segid "   D" and resid   17 and name   HB) (segid "   D" and resid   17 and name   HA) 2.517 0.792 0.792 weight 1.000 spectrum  3 peak   990 ! spec=13CMETHYL, no=990, id=1061, vol=6.770000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   17 and name   HA) 2.210 0.610 0.610 weight 1.000 spectrum  3 peak   992 ! spec=13CMETHYL, no=992, id=1063, vol=1.480000e+06
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   17 and name   HA) 2.210 0.610 0.610 weight 1.000 spectrum  3 peak   992 ! spec=13CMETHYL, no=992, id=1063, vol=1.480000e+06
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   17 and name   HA) 2.210 0.610 0.610 weight 1.000 spectrum  3 peak   992 ! spec=13CMETHYL, no=992, id=1063, vol=1.480000e+06
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   17 and name   HA) 2.210 0.610 0.610 weight 1.000 spectrum  3 peak   992 ! spec=13CMETHYL, no=992, id=1063, vol=1.480000e+06
assign (segid "   A" and resid   28 and name  HB#) (segid "   C" and resid   24 and name  HB#) 3.278 1.343 1.343 weight 1.000 spectrum  3 peak   994 ! spec=13CMETHYL, no=994, id=1065, vol=1.390000e+05
assign (segid "   B" and resid   28 and name  HB#) (segid "   D" and resid   24 and name  HB#) 3.278 1.343 1.343 weight 1.000 spectrum  3 peak   994 ! spec=13CMETHYL, no=994, id=1065, vol=1.390000e+05
assign (segid "   C" and resid   28 and name  HB#) (segid "   A" and resid   24 and name  HB#) 3.278 1.343 1.343 weight 1.000 spectrum  3 peak   994 ! spec=13CMETHYL, no=994, id=1065, vol=1.390000e+05
assign (segid "   D" and resid   28 and name  HB#) (segid "   B" and resid   24 and name  HB#) 3.278 1.343 1.343 weight 1.000 spectrum  3 peak   994 ! spec=13CMETHYL, no=994, id=1065, vol=1.390000e+05
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   17 and name   HA) 2.748 0.944 0.944 weight 1.000 spectrum  3 peak   998 ! spec=13CMETHYL, no=998, id=1069, vol=4.000000e+05
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   17 and name   HA) 2.748 0.944 0.944 weight 1.000 spectrum  3 peak   998 ! spec=13CMETHYL, no=998, id=1069, vol=4.000000e+05
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   17 and name   HA) 2.748 0.944 0.944 weight 1.000 spectrum  3 peak   998 ! spec=13CMETHYL, no=998, id=1069, vol=4.000000e+05
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   17 and name   HA) 2.748 0.944 0.944 weight 1.000 spectrum  3 peak   998 ! spec=13CMETHYL, no=998, id=1069, vol=4.000000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    4 and name   HB) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak   999 ! spec=13CMETHYL, no=999, id=1070, vol=9.630000e+04
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    4 and name   HB) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak   999 ! spec=13CMETHYL, no=999, id=1070, vol=9.630000e+04
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    4 and name   HB) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak   999 ! spec=13CMETHYL, no=999, id=1070, vol=9.630000e+04
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    4 and name   HB) 3.484 3.484 2.516 weight 1.000 spectrum  3 peak   999 ! spec=13CMETHYL, no=999, id=1070, vol=9.630000e+04
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    4 and name   HB) 1.714 0.367 0.367 weight 1.000 spectrum  3 peak  1005 ! spec=13CMETHYL, no=1005, id=1075, vol=6.800000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    4 and name   HB) 1.714 0.367 0.367 weight 1.000 spectrum  3 peak  1005 ! spec=13CMETHYL, no=1005, id=1075, vol=6.800000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    4 and name   HB) 1.714 0.367 0.367 weight 1.000 spectrum  3 peak  1005 ! spec=13CMETHYL, no=1005, id=1075, vol=6.800000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    4 and name   HB) 1.714 0.367 0.367 weight 1.000 spectrum  3 peak  1005 ! spec=13CMETHYL, no=1005, id=1075, vol=6.800000e+06
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  3 peak  1013 ! spec=13CMETHYL, no=1013, id=1078, vol=4.820000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  3 peak  1013 ! spec=13CMETHYL, no=1013, id=1078, vol=4.820000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  3 peak  1013 ! spec=13CMETHYL, no=1013, id=1078, vol=4.820000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name   HA) 2.664 0.887 0.887 weight 1.000 spectrum  3 peak  1013 ! spec=13CMETHYL, no=1013, id=1078, vol=4.820000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   22 and name   HA) 2.645 0.875 0.875 weight 1.000 spectrum  3 peak  1014 ! spec=13CMETHYL, no=1014, id=1079, vol=5.030000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   22 and name   HA) 2.645 0.875 0.875 weight 1.000 spectrum  3 peak  1014 ! spec=13CMETHYL, no=1014, id=1079, vol=5.030000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   22 and name   HA) 2.645 0.875 0.875 weight 1.000 spectrum  3 peak  1014 ! spec=13CMETHYL, no=1014, id=1079, vol=5.030000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   22 and name   HA) 2.645 0.875 0.875 weight 1.000 spectrum  3 peak  1014 ! spec=13CMETHYL, no=1014, id=1079, vol=5.030000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak  1017 ! spec=13CMETHYL, no=1017, id=1080, vol=2.550000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak  1017 ! spec=13CMETHYL, no=1017, id=1080, vol=2.550000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak  1017 ! spec=13CMETHYL, no=1017, id=1080, vol=2.550000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.962 1.097 1.097 weight 1.000 spectrum  3 peak  1017 ! spec=13CMETHYL, no=1017, id=1080, vol=2.550000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   22 and name   HA) 2.715 0.922 0.922 weight 1.000 spectrum  3 peak  1018 ! spec=13CMETHYL, no=1018, id=1081, vol=4.300000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   22 and name   HA) 2.715 0.922 0.922 weight 1.000 spectrum  3 peak  1018 ! spec=13CMETHYL, no=1018, id=1081, vol=4.300000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   22 and name   HA) 2.715 0.922 0.922 weight 1.000 spectrum  3 peak  1018 ! spec=13CMETHYL, no=1018, id=1081, vol=4.300000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   22 and name   HA) 2.715 0.922 0.922 weight 1.000 spectrum  3 peak  1018 ! spec=13CMETHYL, no=1018, id=1081, vol=4.300000e+05
assign (segid "   A" and resid   25 and name  HB#) (segid "   A" and resid   22 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1019 ! spec=13CMETHYL, no=1019, id=1082, vol=1.190000e+05
assign (segid "   B" and resid   25 and name  HB#) (segid "   B" and resid   22 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1019 ! spec=13CMETHYL, no=1019, id=1082, vol=1.190000e+05
assign (segid "   C" and resid   25 and name  HB#) (segid "   C" and resid   22 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1019 ! spec=13CMETHYL, no=1019, id=1082, vol=1.190000e+05
assign (segid "   D" and resid   25 and name  HB#) (segid "   D" and resid   22 and name   HA) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1019 ! spec=13CMETHYL, no=1019, id=1082, vol=1.190000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   40 and name   HA) 2.675 0.895 0.895 weight 1.000 spectrum  3 peak  1021 ! spec=13CMETHYL, no=1021, id=1083, vol=4.700000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   40 and name   HA) 2.675 0.895 0.895 weight 1.000 spectrum  3 peak  1021 ! spec=13CMETHYL, no=1021, id=1083, vol=4.700000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   40 and name   HA) 2.675 0.895 0.895 weight 1.000 spectrum  3 peak  1021 ! spec=13CMETHYL, no=1021, id=1083, vol=4.700000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   40 and name   HA) 2.675 0.895 0.895 weight 1.000 spectrum  3 peak  1021 ! spec=13CMETHYL, no=1021, id=1083, vol=4.700000e+05
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name   HA) 2.554 0.815 0.815 weight 1.000 spectrum  3 peak  1022 ! spec=13CMETHYL, no=1022, id=1084, vol=6.210000e+05
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name   HA) 2.554 0.815 0.815 weight 1.000 spectrum  3 peak  1022 ! spec=13CMETHYL, no=1022, id=1084, vol=6.210000e+05
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name   HA) 2.554 0.815 0.815 weight 1.000 spectrum  3 peak  1022 ! spec=13CMETHYL, no=1022, id=1084, vol=6.210000e+05
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name   HA) 2.554 0.815 0.815 weight 1.000 spectrum  3 peak  1022 ! spec=13CMETHYL, no=1022, id=1084, vol=6.210000e+05
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   40 and name   HA) 2.750 2.750 3.250 weight 1.000 spectrum  3 peak  1023 ! spec=13CMETHYL, no=1023, id=1085, vol=3.980000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   40 and name   HA) 2.750 2.750 3.250 weight 1.000 spectrum  3 peak  1023 ! spec=13CMETHYL, no=1023, id=1085, vol=3.980000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   40 and name   HA) 2.750 2.750 3.250 weight 1.000 spectrum  3 peak  1023 ! spec=13CMETHYL, no=1023, id=1085, vol=3.980000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   40 and name   HA) 2.750 2.750 3.250 weight 1.000 spectrum  3 peak  1023 ! spec=13CMETHYL, no=1023, id=1085, vol=3.980000e+05
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   40 and name   HA) 2.864 1.026 1.026 weight 1.000 spectrum  3 peak  1025 ! spec=13CMETHYL, no=1025, id=1087, vol=3.120000e+05
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   40 and name   HA) 2.864 1.026 1.026 weight 1.000 spectrum  3 peak  1025 ! spec=13CMETHYL, no=1025, id=1087, vol=3.120000e+05
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   40 and name   HA) 2.864 1.026 1.026 weight 1.000 spectrum  3 peak  1025 ! spec=13CMETHYL, no=1025, id=1087, vol=3.120000e+05
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   40 and name   HA) 2.864 1.026 1.026 weight 1.000 spectrum  3 peak  1025 ! spec=13CMETHYL, no=1025, id=1087, vol=3.120000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak  1038 ! spec=13CMETHYL, no=1038, id=1092, vol=1.770000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak  1038 ! spec=13CMETHYL, no=1038, id=1092, vol=1.770000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak  1038 ! spec=13CMETHYL, no=1038, id=1092, vol=1.770000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#) 3.148 1.239 1.239 weight 1.000 spectrum  3 peak  1038 ! spec=13CMETHYL, no=1038, id=1092, vol=1.770000e+05
assign (segid "   A" and resid   34 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1039 ! spec=13CMETHYL, no=1039, id=1093, vol=2.370000e+05
assign (segid "   B" and resid   34 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1039 ! spec=13CMETHYL, no=1039, id=1093, vol=2.370000e+05
assign (segid "   C" and resid   34 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1039 ! spec=13CMETHYL, no=1039, id=1093, vol=2.370000e+05
assign (segid "   D" and resid   34 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.999 1.124 1.124 weight 1.000 spectrum  3 peak  1039 ! spec=13CMETHYL, no=1039, id=1093, vol=2.370000e+05
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name  HD#) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1041 ! spec=13CMETHYL, no=1041, id=1095, vol=8.540000e+05
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name  HD#) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1041 ! spec=13CMETHYL, no=1041, id=1095, vol=8.540000e+05
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name  HD#) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1041 ! spec=13CMETHYL, no=1041, id=1095, vol=8.540000e+05
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name  HD#) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1041 ! spec=13CMETHYL, no=1041, id=1095, vol=8.540000e+05
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak  1042 ! spec=13CMETHYL, no=1042, id=1096, vol=6.830000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak  1042 ! spec=13CMETHYL, no=1042, id=1096, vol=6.830000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak  1042 ! spec=13CMETHYL, no=1042, id=1096, vol=6.830000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.514 2.514 3.486 weight 1.000 spectrum  3 peak  1042 ! spec=13CMETHYL, no=1042, id=1096, vol=6.830000e+05
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   34 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1043 ! spec=13CMETHYL, no=1043, id=1097, vol=3.910000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   34 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1043 ! spec=13CMETHYL, no=1043, id=1097, vol=3.910000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   34 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1043 ! spec=13CMETHYL, no=1043, id=1097, vol=3.910000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   34 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1043 ! spec=13CMETHYL, no=1043, id=1097, vol=3.910000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   34 and name  HD#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak  1049 ! spec=13CMETHYL, no=1049, id=1100, vol=1.720000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   34 and name  HD#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak  1049 ! spec=13CMETHYL, no=1049, id=1100, vol=1.720000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   34 and name  HD#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak  1049 ! spec=13CMETHYL, no=1049, id=1100, vol=1.720000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   34 and name  HD#) 3.163 3.163 2.837 weight 1.000 spectrum  3 peak  1049 ! spec=13CMETHYL, no=1049, id=1100, vol=1.720000e+05
assign (segid "   A" and resid   21 and name   HG) (segid "   A" and resid   18 and name   HA) 3.541 1.567 1.567 weight 1.000 spectrum  3 peak  1050 ! spec=13CMETHYL, no=1050, id=1101, vol=8.740000e+04
assign (segid "   B" and resid   21 and name   HG) (segid "   B" and resid   18 and name   HA) 3.541 1.567 1.567 weight 1.000 spectrum  3 peak  1050 ! spec=13CMETHYL, no=1050, id=1101, vol=8.740000e+04
assign (segid "   C" and resid   21 and name   HG) (segid "   C" and resid   18 and name   HA) 3.541 1.567 1.567 weight 1.000 spectrum  3 peak  1050 ! spec=13CMETHYL, no=1050, id=1101, vol=8.740000e+04
assign (segid "   D" and resid   21 and name   HG) (segid "   D" and resid   18 and name   HA) 3.541 1.567 1.567 weight 1.000 spectrum  3 peak  1050 ! spec=13CMETHYL, no=1050, id=1101, vol=8.740000e+04
assign (segid "   A" and resid   12 and name  HB#) (segid "   A" and resid   11 and name  HA#) 3.247 1.318 1.318 weight 1.000 spectrum  3 peak  1059 ! spec=13CMETHYL, no=1059, id=1109, vol=1.470000e+05
assign (segid "   B" and resid   12 and name  HB#) (segid "   B" and resid   11 and name  HA#) 3.247 1.318 1.318 weight 1.000 spectrum  3 peak  1059 ! spec=13CMETHYL, no=1059, id=1109, vol=1.470000e+05
assign (segid "   C" and resid   12 and name  HB#) (segid "   C" and resid   11 and name  HA#) 3.247 1.318 1.318 weight 1.000 spectrum  3 peak  1059 ! spec=13CMETHYL, no=1059, id=1109, vol=1.470000e+05
assign (segid "   D" and resid   12 and name  HB#) (segid "   D" and resid   11 and name  HA#) 3.247 1.318 1.318 weight 1.000 spectrum  3 peak  1059 ! spec=13CMETHYL, no=1059, id=1109, vol=1.470000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   24 and name  HB#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1060 ! spec=13CMETHYL, no=1060, id=1110, vol=1.040000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   24 and name  HB#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1060 ! spec=13CMETHYL, no=1060, id=1110, vol=1.040000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   24 and name  HB#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1060 ! spec=13CMETHYL, no=1060, id=1110, vol=1.040000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   24 and name  HB#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1060 ! spec=13CMETHYL, no=1060, id=1110, vol=1.040000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name   HA) 3.208 1.287 1.287 weight 1.000 spectrum  3 peak  1065 ! spec=13CMETHYL, no=1065, id=1115, vol=1.580000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name   HA) 3.208 1.287 1.287 weight 1.000 spectrum  3 peak  1065 ! spec=13CMETHYL, no=1065, id=1115, vol=1.580000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name   HA) 3.208 1.287 1.287 weight 1.000 spectrum  3 peak  1065 ! spec=13CMETHYL, no=1065, id=1115, vol=1.580000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name   HA) 3.208 1.287 1.287 weight 1.000 spectrum  3 peak  1065 ! spec=13CMETHYL, no=1065, id=1115, vol=1.580000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   11 and name  HA#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1067 ! spec=13CMETHYL, no=1067, id=1117, vol=1.290000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   11 and name  HA#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1067 ! spec=13CMETHYL, no=1067, id=1117, vol=1.290000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   11 and name  HA#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1067 ! spec=13CMETHYL, no=1067, id=1117, vol=1.290000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   11 and name  HA#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1067 ! spec=13CMETHYL, no=1067, id=1117, vol=1.290000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   31 and name   HA) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1076 ! spec=13CMETHYL, no=1076, id=1122, vol=1.600000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   31 and name   HA) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1076 ! spec=13CMETHYL, no=1076, id=1122, vol=1.600000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   31 and name   HA) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1076 ! spec=13CMETHYL, no=1076, id=1122, vol=1.600000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   31 and name   HA) 3.202 3.202 2.798 weight 1.000 spectrum  3 peak  1076 ! spec=13CMETHYL, no=1076, id=1122, vol=1.600000e+05
assign (segid "   A" and resid   31 and name   HB) (segid "   A" and resid   31 and name   HA) 2.519 0.793 0.793 weight 1.000 spectrum  3 peak  1077 ! spec=13CMETHYL, no=1077, id=1123, vol=6.740000e+05
assign (segid "   B" and resid   31 and name   HB) (segid "   B" and resid   31 and name   HA) 2.519 0.793 0.793 weight 1.000 spectrum  3 peak  1077 ! spec=13CMETHYL, no=1077, id=1123, vol=6.740000e+05
assign (segid "   C" and resid   31 and name   HB) (segid "   C" and resid   31 and name   HA) 2.519 0.793 0.793 weight 1.000 spectrum  3 peak  1077 ! spec=13CMETHYL, no=1077, id=1123, vol=6.740000e+05
assign (segid "   D" and resid   31 and name   HB) (segid "   D" and resid   31 and name   HA) 2.519 0.793 0.793 weight 1.000 spectrum  3 peak  1077 ! spec=13CMETHYL, no=1077, id=1123, vol=6.740000e+05
assign (segid "   A" and resid   28 and name  HB#) (segid "   A" and resid   28 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  3 peak  1078 ! spec=13CMETHYL, no=1078, id=1124, vol=7.280000e+05
assign (segid "   B" and resid   28 and name  HB#) (segid "   B" and resid   28 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  3 peak  1078 ! spec=13CMETHYL, no=1078, id=1124, vol=7.280000e+05
assign (segid "   C" and resid   28 and name  HB#) (segid "   C" and resid   28 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  3 peak  1078 ! spec=13CMETHYL, no=1078, id=1124, vol=7.280000e+05
assign (segid "   D" and resid   28 and name  HB#) (segid "   D" and resid   28 and name   HA) 2.487 0.773 0.773 weight 1.000 spectrum  3 peak  1078 ! spec=13CMETHYL, no=1078, id=1124, vol=7.280000e+05
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   31 and name   HA) 2.848 2.848 3.152 weight 1.000 spectrum  3 peak  1081 ! spec=13CMETHYL, no=1081, id=1127, vol=3.230000e+05
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   31 and name   HA) 2.848 2.848 3.152 weight 1.000 spectrum  3 peak  1081 ! spec=13CMETHYL, no=1081, id=1127, vol=3.230000e+05
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   31 and name   HA) 2.848 2.848 3.152 weight 1.000 spectrum  3 peak  1081 ! spec=13CMETHYL, no=1081, id=1127, vol=3.230000e+05
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   31 and name   HA) 2.848 2.848 3.152 weight 1.000 spectrum  3 peak  1081 ! spec=13CMETHYL, no=1081, id=1127, vol=3.230000e+05
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   43 and name   HA) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak  1089 ! spec=13CMETHYL, no=1089, id=1131, vol=9.080000e+04
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   43 and name   HA) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak  1089 ! spec=13CMETHYL, no=1089, id=1131, vol=9.080000e+04
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   43 and name   HA) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak  1089 ! spec=13CMETHYL, no=1089, id=1131, vol=9.080000e+04
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   43 and name   HA) 3.519 1.548 1.548 weight 1.000 spectrum  3 peak  1089 ! spec=13CMETHYL, no=1089, id=1131, vol=9.080000e+04
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   33 and name   HA) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak  1098 ! spec=13CMETHYL, no=1098, id=1137, vol=4.720000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   33 and name   HA) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak  1098 ! spec=13CMETHYL, no=1098, id=1137, vol=4.720000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   33 and name   HA) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak  1098 ! spec=13CMETHYL, no=1098, id=1137, vol=4.720000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   33 and name   HA) 2.673 0.893 0.893 weight 1.000 spectrum  3 peak  1098 ! spec=13CMETHYL, no=1098, id=1137, vol=4.720000e+05
assign (segid "   A" and resid   33 and name  HB#) (segid "   A" and resid   33 and name   HA) 2.544 0.809 0.809 weight 1.000 spectrum  3 peak  1099 ! spec=13CMETHYL, no=1099, id=1138, vol=6.360000e+05
assign (segid "   B" and resid   33 and name  HB#) (segid "   B" and resid   33 and name   HA) 2.544 0.809 0.809 weight 1.000 spectrum  3 peak  1099 ! spec=13CMETHYL, no=1099, id=1138, vol=6.360000e+05
assign (segid "   C" and resid   33 and name  HB#) (segid "   C" and resid   33 and name   HA) 2.544 0.809 0.809 weight 1.000 spectrum  3 peak  1099 ! spec=13CMETHYL, no=1099, id=1138, vol=6.360000e+05
assign (segid "   D" and resid   33 and name  HB#) (segid "   D" and resid   33 and name   HA) 2.544 0.809 0.809 weight 1.000 spectrum  3 peak  1099 ! spec=13CMETHYL, no=1099, id=1138, vol=6.360000e+05
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HA) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1107 ! spec=13CMETHYL, no=1107, id=1145, vol=1.520000e+06
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HA) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1107 ! spec=13CMETHYL, no=1107, id=1145, vol=1.520000e+06
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HA) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1107 ! spec=13CMETHYL, no=1107, id=1145, vol=1.520000e+06
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HA) 2.200 0.605 0.605 weight 1.000 spectrum  3 peak  1107 ! spec=13CMETHYL, no=1107, id=1145, vol=1.520000e+06
assign (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   43 and name   HA) 1.895 1.895 4.105 weight 1.000 spectrum  3 peak  1116 ! spec=13CMETHYL, no=1116, id=1153, vol=3.720000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   43 and name   HA) 1.895 1.895 4.105 weight 1.000 spectrum  3 peak  1116 ! spec=13CMETHYL, no=1116, id=1153, vol=3.720000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   43 and name   HA) 1.895 1.895 4.105 weight 1.000 spectrum  3 peak  1116 ! spec=13CMETHYL, no=1116, id=1153, vol=3.720000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   43 and name   HA) 1.895 1.895 4.105 weight 1.000 spectrum  3 peak  1116 ! spec=13CMETHYL, no=1116, id=1153, vol=3.720000e+06
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   19 and name   HA) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak  1123 ! spec=13CMETHYL, no=1123, id=1155, vol=1.550000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   19 and name   HA) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak  1123 ! spec=13CMETHYL, no=1123, id=1155, vol=1.550000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   19 and name   HA) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak  1123 ! spec=13CMETHYL, no=1123, id=1155, vol=1.550000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   19 and name   HA) 3.219 1.295 1.295 weight 1.000 spectrum  3 peak  1123 ! spec=13CMETHYL, no=1123, id=1155, vol=1.550000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.858 1.021 1.021 weight 1.000 spectrum  3 peak  1126 ! spec=13CMETHYL, no=1126, id=1156, vol=3.160000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.858 1.021 1.021 weight 1.000 spectrum  3 peak  1126 ! spec=13CMETHYL, no=1126, id=1156, vol=3.160000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.858 1.021 1.021 weight 1.000 spectrum  3 peak  1126 ! spec=13CMETHYL, no=1126, id=1156, vol=3.160000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.858 1.021 1.021 weight 1.000 spectrum  3 peak  1126 ! spec=13CMETHYL, no=1126, id=1156, vol=3.160000e+05
assign (segid "   A" and resid   19 and name  HB#) (segid "   A" and resid   19 and name   HA) 2.443 0.746 0.746 weight 1.000 spectrum  3 peak  1127 ! spec=13CMETHYL, no=1127, id=1157, vol=8.110000e+05
assign (segid "   B" and resid   19 and name  HB#) (segid "   B" and resid   19 and name   HA) 2.443 0.746 0.746 weight 1.000 spectrum  3 peak  1127 ! spec=13CMETHYL, no=1127, id=1157, vol=8.110000e+05
assign (segid "   C" and resid   19 and name  HB#) (segid "   C" and resid   19 and name   HA) 2.443 0.746 0.746 weight 1.000 spectrum  3 peak  1127 ! spec=13CMETHYL, no=1127, id=1157, vol=8.110000e+05
assign (segid "   D" and resid   19 and name  HB#) (segid "   D" and resid   19 and name   HA) 2.443 0.746 0.746 weight 1.000 spectrum  3 peak  1127 ! spec=13CMETHYL, no=1127, id=1157, vol=8.110000e+05
assign (segid "   A" and resid   45 and name  HB#) (segid "   A" and resid   41 and name   HA) 3.148 3.148 2.852 weight 1.000 spectrum  3 peak  1131 ! spec=13CMETHYL, no=1131, id=1160, vol=1.770000e+05
assign (segid "   B" and resid   45 and name  HB#) (segid "   B" and resid   41 and name   HA) 3.148 3.148 2.852 weight 1.000 spectrum  3 peak  1131 ! spec=13CMETHYL, no=1131, id=1160, vol=1.770000e+05
assign (segid "   C" and resid   45 and name  HB#) (segid "   C" and resid   41 and name   HA) 3.148 3.148 2.852 weight 1.000 spectrum  3 peak  1131 ! spec=13CMETHYL, no=1131, id=1160, vol=1.770000e+05
assign (segid "   D" and resid   45 and name  HB#) (segid "   D" and resid   41 and name   HA) 3.148 3.148 2.852 weight 1.000 spectrum  3 peak  1131 ! spec=13CMETHYL, no=1131, id=1160, vol=1.770000e+05
assign (segid "   A" and resid   26 and name  HG#) (segid "   A" and resid   26 and name   HA) 2.790 0.973 0.973 weight 1.000 spectrum  3 peak  1133 ! spec=13CMETHYL, no=1133, id=1162, vol=3.650000e+05
assign (segid "   B" and resid   26 and name  HG#) (segid "   B" and resid   26 and name   HA) 2.790 0.973 0.973 weight 1.000 spectrum  3 peak  1133 ! spec=13CMETHYL, no=1133, id=1162, vol=3.650000e+05
assign (segid "   C" and resid   26 and name  HG#) (segid "   C" and resid   26 and name   HA) 2.790 0.973 0.973 weight 1.000 spectrum  3 peak  1133 ! spec=13CMETHYL, no=1133, id=1162, vol=3.650000e+05
assign (segid "   D" and resid   26 and name  HG#) (segid "   D" and resid   26 and name   HA) 2.790 0.973 0.973 weight 1.000 spectrum  3 peak  1133 ! spec=13CMETHYL, no=1133, id=1162, vol=3.650000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   19 and name   HA) 2.441 0.745 0.745 weight 1.000 spectrum  3 peak  1136 ! spec=13CMETHYL, no=1136, id=1165, vol=8.140000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   19 and name   HA) 2.441 0.745 0.745 weight 1.000 spectrum  3 peak  1136 ! spec=13CMETHYL, no=1136, id=1165, vol=8.140000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   19 and name   HA) 2.441 0.745 0.745 weight 1.000 spectrum  3 peak  1136 ! spec=13CMETHYL, no=1136, id=1165, vol=8.140000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   19 and name   HA) 2.441 0.745 0.745 weight 1.000 spectrum  3 peak  1136 ! spec=13CMETHYL, no=1136, id=1165, vol=8.140000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   41 and name   HA) 3.092 3.092 2.908 weight 1.000 spectrum  3 peak  1140 ! spec=13CMETHYL, no=1140, id=1169, vol=1.970000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   41 and name   HA) 3.092 3.092 2.908 weight 1.000 spectrum  3 peak  1140 ! spec=13CMETHYL, no=1140, id=1169, vol=1.970000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   41 and name   HA) 3.092 3.092 2.908 weight 1.000 spectrum  3 peak  1140 ! spec=13CMETHYL, no=1140, id=1169, vol=1.970000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   41 and name   HA) 3.092 3.092 2.908 weight 1.000 spectrum  3 peak  1140 ! spec=13CMETHYL, no=1140, id=1169, vol=1.970000e+05
assign (segid "   A" and resid   44 and name  HB#) (segid "   A" and resid   41 and name   HA) 2.050 2.050 3.950 weight 1.000 spectrum  3 peak  1141 ! spec=13CMETHYL, no=1141, id=1170, vol=2.320000e+06
assign (segid "   B" and resid   44 and name  HB#) (segid "   B" and resid   41 and name   HA) 2.050 2.050 3.950 weight 1.000 spectrum  3 peak  1141 ! spec=13CMETHYL, no=1141, id=1170, vol=2.320000e+06
assign (segid "   C" and resid   44 and name  HB#) (segid "   C" and resid   41 and name   HA) 2.050 2.050 3.950 weight 1.000 spectrum  3 peak  1141 ! spec=13CMETHYL, no=1141, id=1170, vol=2.320000e+06
assign (segid "   D" and resid   44 and name  HB#) (segid "   D" and resid   41 and name   HA) 2.050 2.050 3.950 weight 1.000 spectrum  3 peak  1141 ! spec=13CMETHYL, no=1141, id=1170, vol=2.320000e+06
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   19 and name   HA) 2.771 0.959 0.959 weight 1.000 spectrum  3 peak  1143 ! spec=13CMETHYL, no=1143, id=1171, vol=3.810000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   19 and name   HA) 2.771 0.959 0.959 weight 1.000 spectrum  3 peak  1143 ! spec=13CMETHYL, no=1143, id=1171, vol=3.810000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   19 and name   HA) 2.771 0.959 0.959 weight 1.000 spectrum  3 peak  1143 ! spec=13CMETHYL, no=1143, id=1171, vol=3.810000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   19 and name   HA) 2.771 0.959 0.959 weight 1.000 spectrum  3 peak  1143 ! spec=13CMETHYL, no=1143, id=1171, vol=3.810000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name   HA) 2.582 0.834 0.834 weight 1.000 spectrum  3 peak  1146 ! spec=13CMETHYL, no=1146, id=1172, vol=5.810000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name   HA) 2.582 0.834 0.834 weight 1.000 spectrum  3 peak  1146 ! spec=13CMETHYL, no=1146, id=1172, vol=5.810000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name   HA) 2.582 0.834 0.834 weight 1.000 spectrum  3 peak  1146 ! spec=13CMETHYL, no=1146, id=1172, vol=5.810000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name   HA) 2.582 0.834 0.834 weight 1.000 spectrum  3 peak  1146 ! spec=13CMETHYL, no=1146, id=1172, vol=5.810000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   20 and name   HA) 2.552 0.814 0.814 weight 1.000 spectrum  3 peak  1147 ! spec=13CMETHYL, no=1147, id=1173, vol=6.240000e+05
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   20 and name   HA) 2.552 0.814 0.814 weight 1.000 spectrum  3 peak  1147 ! spec=13CMETHYL, no=1147, id=1173, vol=6.240000e+05
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   20 and name   HA) 2.552 0.814 0.814 weight 1.000 spectrum  3 peak  1147 ! spec=13CMETHYL, no=1147, id=1173, vol=6.240000e+05
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   20 and name   HA) 2.552 0.814 0.814 weight 1.000 spectrum  3 peak  1147 ! spec=13CMETHYL, no=1147, id=1173, vol=6.240000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name   HA) 3.052 1.165 1.316 weight 1.000 spectrum  3 peak  1148 ! spec=13CMETHYL, no=1148, id=1174, vol=2.130000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name   HA) 3.052 1.165 1.316 weight 1.000 spectrum  3 peak  1148 ! spec=13CMETHYL, no=1148, id=1174, vol=2.130000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name   HA) 3.052 1.165 1.316 weight 1.000 spectrum  3 peak  1148 ! spec=13CMETHYL, no=1148, id=1174, vol=2.130000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name   HA) 3.052 1.165 1.316 weight 1.000 spectrum  3 peak  1148 ! spec=13CMETHYL, no=1148, id=1174, vol=2.130000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   20 and name   HA) 2.366 0.700 0.700 weight 1.000 spectrum  3 peak  1149 ! spec=13CMETHYL, no=1149, id=1175, vol=9.820000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   20 and name   HA) 2.366 0.700 0.700 weight 1.000 spectrum  3 peak  1149 ! spec=13CMETHYL, no=1149, id=1175, vol=9.820000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   20 and name   HA) 2.366 0.700 0.700 weight 1.000 spectrum  3 peak  1149 ! spec=13CMETHYL, no=1149, id=1175, vol=9.820000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   20 and name   HA) 2.366 0.700 0.700 weight 1.000 spectrum  3 peak  1149 ! spec=13CMETHYL, no=1149, id=1175, vol=9.820000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   20 and name   HA) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1154 ! spec=13CMETHYL, no=1154, id=1179, vol=1.660000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   20 and name   HA) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1154 ! spec=13CMETHYL, no=1154, id=1179, vol=1.660000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   20 and name   HA) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1154 ! spec=13CMETHYL, no=1154, id=1179, vol=1.660000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   20 and name   HA) 3.182 1.266 1.266 weight 1.000 spectrum  3 peak  1154 ! spec=13CMETHYL, no=1154, id=1179, vol=1.660000e+05
assign (segid "   A" and resid   26 and name  HB#) (segid "   A" and resid   26 and name   HA) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1156 ! spec=13CMETHYL, no=1156, id=1181, vol=4.160000e+05
assign (segid "   B" and resid   26 and name  HB#) (segid "   B" and resid   26 and name   HA) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1156 ! spec=13CMETHYL, no=1156, id=1181, vol=4.160000e+05
assign (segid "   C" and resid   26 and name  HB#) (segid "   C" and resid   26 and name   HA) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1156 ! spec=13CMETHYL, no=1156, id=1181, vol=4.160000e+05
assign (segid "   D" and resid   26 and name  HB#) (segid "   D" and resid   26 and name   HA) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1156 ! spec=13CMETHYL, no=1156, id=1181, vol=4.160000e+05
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   29 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak  1169 ! spec=13CMETHYL, no=1169, id=1192, vol=1.510000e+06
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   29 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak  1169 ! spec=13CMETHYL, no=1169, id=1192, vol=1.510000e+06
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   29 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak  1169 ! spec=13CMETHYL, no=1169, id=1192, vol=1.510000e+06
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   29 and name   HA) 2.202 0.606 0.606 weight 1.000 spectrum  3 peak  1169 ! spec=13CMETHYL, no=1169, id=1192, vol=1.510000e+06
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name   HA) 2.545 2.545 3.455 weight 1.000 spectrum  3 peak  1172 ! spec=13CMETHYL, no=1172, id=1195, vol=6.340000e+05
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name   HA) 2.545 2.545 3.455 weight 1.000 spectrum  3 peak  1172 ! spec=13CMETHYL, no=1172, id=1195, vol=6.340000e+05
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name   HA) 2.545 2.545 3.455 weight 1.000 spectrum  3 peak  1172 ! spec=13CMETHYL, no=1172, id=1195, vol=6.340000e+05
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name   HA) 2.545 2.545 3.455 weight 1.000 spectrum  3 peak  1172 ! spec=13CMETHYL, no=1172, id=1195, vol=6.340000e+05
assign (segid "   A" and resid   32 and name  HB#) (segid "   A" and resid   32 and name  HD#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1188 ! spec=13CMETHYL, no=1188, id=1206, vol=2.030000e+05
assign (segid "   B" and resid   32 and name  HB#) (segid "   B" and resid   32 and name  HD#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1188 ! spec=13CMETHYL, no=1188, id=1206, vol=2.030000e+05
assign (segid "   C" and resid   32 and name  HB#) (segid "   C" and resid   32 and name  HD#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1188 ! spec=13CMETHYL, no=1188, id=1206, vol=2.030000e+05
assign (segid "   D" and resid   32 and name  HB#) (segid "   D" and resid   32 and name  HD#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1188 ! spec=13CMETHYL, no=1188, id=1206, vol=2.030000e+05
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HD#) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1189 ! spec=13CMETHYL, no=1189, id=1207, vol=7.700000e+05
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HD#) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1189 ! spec=13CMETHYL, no=1189, id=1207, vol=7.700000e+05
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HD#) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1189 ! spec=13CMETHYL, no=1189, id=1207, vol=7.700000e+05
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HD#) 2.464 0.759 0.759 weight 1.000 spectrum  3 peak  1189 ! spec=13CMETHYL, no=1189, id=1207, vol=7.700000e+05
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   32 and name  HD#) 2.541 0.807 0.807 weight 1.000 spectrum  3 peak  1190 ! spec=13CMETHYL, no=1190, id=1208, vol=6.400000e+05
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   32 and name  HD#) 2.541 0.807 0.807 weight 1.000 spectrum  3 peak  1190 ! spec=13CMETHYL, no=1190, id=1208, vol=6.400000e+05
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   32 and name  HD#) 2.541 0.807 0.807 weight 1.000 spectrum  3 peak  1190 ! spec=13CMETHYL, no=1190, id=1208, vol=6.400000e+05
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   32 and name  HD#) 2.541 0.807 0.807 weight 1.000 spectrum  3 peak  1190 ! spec=13CMETHYL, no=1190, id=1208, vol=6.400000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   21 and name   HA) 3.541 1.567 1.732 weight 1.000 spectrum  3 peak  1195 ! spec=13CMETHYL, no=1195, id=1212, vol=8.740000e+04
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   21 and name   HA) 3.541 1.567 1.732 weight 1.000 spectrum  3 peak  1195 ! spec=13CMETHYL, no=1195, id=1212, vol=8.740000e+04
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   21 and name   HA) 3.541 1.567 1.732 weight 1.000 spectrum  3 peak  1195 ! spec=13CMETHYL, no=1195, id=1212, vol=8.740000e+04
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   21 and name   HA) 3.541 1.567 1.732 weight 1.000 spectrum  3 peak  1195 ! spec=13CMETHYL, no=1195, id=1212, vol=8.740000e+04
assign (segid "   A" and resid   20 and name  HB#) (segid "   A" and resid   21 and name   HA) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1199 ! spec=13CMETHYL, no=1199, id=1214, vol=1.020000e+05
assign (segid "   B" and resid   20 and name  HB#) (segid "   B" and resid   21 and name   HA) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1199 ! spec=13CMETHYL, no=1199, id=1214, vol=1.020000e+05
assign (segid "   C" and resid   20 and name  HB#) (segid "   C" and resid   21 and name   HA) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1199 ! spec=13CMETHYL, no=1199, id=1214, vol=1.020000e+05
assign (segid "   D" and resid   20 and name  HB#) (segid "   D" and resid   21 and name   HA) 3.451 1.489 1.489 weight 1.000 spectrum  3 peak  1199 ! spec=13CMETHYL, no=1199, id=1214, vol=1.020000e+05
assign (segid "   A" and resid   21 and name  HB#) (segid "   A" and resid   21 and name   HA) 2.951 1.088 1.088 weight 1.000 spectrum  3 peak  1202 ! spec=13CMETHYL, no=1202, id=1216, vol=2.610000e+05
assign (segid "   B" and resid   21 and name  HB#) (segid "   B" and resid   21 and name   HA) 2.951 1.088 1.088 weight 1.000 spectrum  3 peak  1202 ! spec=13CMETHYL, no=1202, id=1216, vol=2.610000e+05
assign (segid "   C" and resid   21 and name  HB#) (segid "   C" and resid   21 and name   HA) 2.951 1.088 1.088 weight 1.000 spectrum  3 peak  1202 ! spec=13CMETHYL, no=1202, id=1216, vol=2.610000e+05
assign (segid "   D" and resid   21 and name  HB#) (segid "   D" and resid   21 and name   HA) 2.951 1.088 1.088 weight 1.000 spectrum  3 peak  1202 ! spec=13CMETHYL, no=1202, id=1216, vol=2.610000e+05
assign (segid "   A" and resid   20 and name  HG#) (segid "   A" and resid   21 and name   HA) 3.513 3.513 2.487 weight 1.000 spectrum  3 peak  1205 ! spec=13CMETHYL, no=1205, id=1218, vol=9.170000e+04
assign (segid "   B" and resid   20 and name  HG#) (segid "   B" and resid   21 and name   HA) 3.513 3.513 2.487 weight 1.000 spectrum  3 peak  1205 ! spec=13CMETHYL, no=1205, id=1218, vol=9.170000e+04
assign (segid "   C" and resid   20 and name  HG#) (segid "   C" and resid   21 and name   HA) 3.513 3.513 2.487 weight 1.000 spectrum  3 peak  1205 ! spec=13CMETHYL, no=1205, id=1218, vol=9.170000e+04
assign (segid "   D" and resid   20 and name  HG#) (segid "   D" and resid   21 and name   HA) 3.513 3.513 2.487 weight 1.000 spectrum  3 peak  1205 ! spec=13CMETHYL, no=1205, id=1218, vol=9.170000e+04
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   21 and name   HA) 3.179 1.263 1.380 weight 1.000 spectrum  3 peak  1209 ! spec=13CMETHYL, no=1209, id=1221, vol=1.670000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   21 and name   HA) 3.179 1.263 1.380 weight 1.000 spectrum  3 peak  1209 ! spec=13CMETHYL, no=1209, id=1221, vol=1.670000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   21 and name   HA) 3.179 1.263 1.380 weight 1.000 spectrum  3 peak  1209 ! spec=13CMETHYL, no=1209, id=1221, vol=1.670000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   21 and name   HA) 3.179 1.263 1.380 weight 1.000 spectrum  3 peak  1209 ! spec=13CMETHYL, no=1209, id=1221, vol=1.670000e+05
assign (segid "   A" and resid    5 and name  HB#) (segid "   A" and resid    5 and name   HA) 2.835 1.005 1.005 weight 1.000 spectrum  3 peak  1219 ! spec=13CMETHYL, no=1219, id=1227, vol=3.320000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   B" and resid    5 and name   HA) 2.835 1.005 1.005 weight 1.000 spectrum  3 peak  1219 ! spec=13CMETHYL, no=1219, id=1227, vol=3.320000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   C" and resid    5 and name   HA) 2.835 1.005 1.005 weight 1.000 spectrum  3 peak  1219 ! spec=13CMETHYL, no=1219, id=1227, vol=3.320000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   D" and resid    5 and name   HA) 2.835 1.005 1.005 weight 1.000 spectrum  3 peak  1219 ! spec=13CMETHYL, no=1219, id=1227, vol=3.320000e+05
assign (segid "   A" and resid   35 and name  HB#) (segid "   A" and resid   35 and name   HA) 2.642 0.872 0.872 weight 1.000 spectrum  3 peak  1223 ! spec=13CMETHYL, no=1223, id=1231, vol=5.070000e+05
assign (segid "   B" and resid   35 and name  HB#) (segid "   B" and resid   35 and name   HA) 2.642 0.872 0.872 weight 1.000 spectrum  3 peak  1223 ! spec=13CMETHYL, no=1223, id=1231, vol=5.070000e+05
assign (segid "   C" and resid   35 and name  HB#) (segid "   C" and resid   35 and name   HA) 2.642 0.872 0.872 weight 1.000 spectrum  3 peak  1223 ! spec=13CMETHYL, no=1223, id=1231, vol=5.070000e+05
assign (segid "   D" and resid   35 and name  HB#) (segid "   D" and resid   35 and name   HA) 2.642 0.872 0.872 weight 1.000 spectrum  3 peak  1223 ! spec=13CMETHYL, no=1223, id=1231, vol=5.070000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name   HA) 2.513 2.513 3.487 weight 1.000 spectrum  3 peak  1240 ! spec=13CMETHYL, no=1240, id=1243, vol=6.840000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name   HA) 2.513 2.513 3.487 weight 1.000 spectrum  3 peak  1240 ! spec=13CMETHYL, no=1240, id=1243, vol=6.840000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name   HA) 2.513 2.513 3.487 weight 1.000 spectrum  3 peak  1240 ! spec=13CMETHYL, no=1240, id=1243, vol=6.840000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name   HA) 2.513 2.513 3.487 weight 1.000 spectrum  3 peak  1240 ! spec=13CMETHYL, no=1240, id=1243, vol=6.840000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   37 and name   HA) 3.139 1.232 1.232 weight 1.000 spectrum  3 peak  1249 ! spec=13CMETHYL, no=1249, id=1248, vol=1.800000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   37 and name   HA) 3.139 1.232 1.232 weight 1.000 spectrum  3 peak  1249 ! spec=13CMETHYL, no=1249, id=1248, vol=1.800000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   37 and name   HA) 3.139 1.232 1.232 weight 1.000 spectrum  3 peak  1249 ! spec=13CMETHYL, no=1249, id=1248, vol=1.800000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   37 and name   HA) 3.139 1.232 1.232 weight 1.000 spectrum  3 peak  1249 ! spec=13CMETHYL, no=1249, id=1248, vol=1.800000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   C" and resid   47 and name   HA) 3.440 1.479 2.191 weight 1.000 spectrum  3 peak  1257 ! spec=13CMETHYL, no=1257, id=1256, vol=1.040000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   D" and resid   47 and name   HA) 3.440 1.479 2.191 weight 1.000 spectrum  3 peak  1257 ! spec=13CMETHYL, no=1257, id=1256, vol=1.040000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   A" and resid   47 and name   HA) 3.440 1.479 2.191 weight 1.000 spectrum  3 peak  1257 ! spec=13CMETHYL, no=1257, id=1256, vol=1.040000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   B" and resid   47 and name   HA) 3.440 1.479 2.191 weight 1.000 spectrum  3 peak  1257 ! spec=13CMETHYL, no=1257, id=1256, vol=1.040000e+05
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   37 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1258 ! spec=13CMETHYL, no=1258, id=1257, vol=1.120000e+05
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   37 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1258 ! spec=13CMETHYL, no=1258, id=1257, vol=1.120000e+05
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   37 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1258 ! spec=13CMETHYL, no=1258, id=1257, vol=1.120000e+05
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   37 and name   HA) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1258 ! spec=13CMETHYL, no=1258, id=1257, vol=1.120000e+05
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   47 and name   HA) 2.742 2.742 3.258 weight 1.000 spectrum  3 peak  1261 ! spec=13CMETHYL, no=1261, id=1260, vol=4.050000e+05
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   47 and name   HA) 2.742 2.742 3.258 weight 1.000 spectrum  3 peak  1261 ! spec=13CMETHYL, no=1261, id=1260, vol=4.050000e+05
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   47 and name   HA) 2.742 2.742 3.258 weight 1.000 spectrum  3 peak  1261 ! spec=13CMETHYL, no=1261, id=1260, vol=4.050000e+05
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   47 and name   HA) 2.742 2.742 3.258 weight 1.000 spectrum  3 peak  1261 ! spec=13CMETHYL, no=1261, id=1260, vol=4.050000e+05
assign (segid "   A" and resid   45 and name   HG) (segid "   A" and resid   46 and name   HA) 2.893 1.046 1.177 weight 1.000 spectrum  3 peak  1263 ! spec=13CMETHYL, no=1263, id=1262, vol=2.940000e+05
assign (segid "   B" and resid   45 and name   HG) (segid "   B" and resid   46 and name   HA) 2.893 1.046 1.177 weight 1.000 spectrum  3 peak  1263 ! spec=13CMETHYL, no=1263, id=1262, vol=2.940000e+05
assign (segid "   C" and resid   45 and name   HG) (segid "   C" and resid   46 and name   HA) 2.893 1.046 1.177 weight 1.000 spectrum  3 peak  1263 ! spec=13CMETHYL, no=1263, id=1262, vol=2.940000e+05
assign (segid "   D" and resid   45 and name   HG) (segid "   D" and resid   46 and name   HA) 2.893 1.046 1.177 weight 1.000 spectrum  3 peak  1263 ! spec=13CMETHYL, no=1263, id=1262, vol=2.940000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   C" and resid   47 and name   HA) 2.315 2.315 4.138 weight 1.000 spectrum  3 peak  1267 ! spec=13CMETHYL, no=1267, id=1265, vol=1.120000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   D" and resid   47 and name   HA) 2.315 2.315 4.138 weight 1.000 spectrum  3 peak  1267 ! spec=13CMETHYL, no=1267, id=1265, vol=1.120000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   A" and resid   47 and name   HA) 2.315 2.315 4.138 weight 1.000 spectrum  3 peak  1267 ! spec=13CMETHYL, no=1267, id=1265, vol=1.120000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   B" and resid   47 and name   HA) 2.315 2.315 4.138 weight 1.000 spectrum  3 peak  1267 ! spec=13CMETHYL, no=1267, id=1265, vol=1.120000e+06
assign (segid "   A" and resid   17 and name HG2#) (segid "   A" and resid   14 and name   HA) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1278 ! spec=13CMETHYL, no=1278, id=1270, vol=1.040000e+06
assign (segid "   B" and resid   17 and name HG2#) (segid "   B" and resid   14 and name   HA) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1278 ! spec=13CMETHYL, no=1278, id=1270, vol=1.040000e+06
assign (segid "   C" and resid   17 and name HG2#) (segid "   C" and resid   14 and name   HA) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1278 ! spec=13CMETHYL, no=1278, id=1270, vol=1.040000e+06
assign (segid "   D" and resid   17 and name HG2#) (segid "   D" and resid   14 and name   HA) 2.344 2.344 3.656 weight 1.000 spectrum  3 peak  1278 ! spec=13CMETHYL, no=1278, id=1270, vol=1.040000e+06
assign (segid "   A" and resid   17 and name HD1#) (segid "   A" and resid   14 and name   HA) 2.318 2.318 3.682 weight 1.000 spectrum  3 peak  1279 ! spec=13CMETHYL, no=1279, id=1271, vol=1.110000e+06
assign (segid "   B" and resid   17 and name HD1#) (segid "   B" and resid   14 and name   HA) 2.318 2.318 3.682 weight 1.000 spectrum  3 peak  1279 ! spec=13CMETHYL, no=1279, id=1271, vol=1.110000e+06
assign (segid "   C" and resid   17 and name HD1#) (segid "   C" and resid   14 and name   HA) 2.318 2.318 3.682 weight 1.000 spectrum  3 peak  1279 ! spec=13CMETHYL, no=1279, id=1271, vol=1.110000e+06
assign (segid "   D" and resid   17 and name HD1#) (segid "   D" and resid   14 and name   HA) 2.318 2.318 3.682 weight 1.000 spectrum  3 peak  1279 ! spec=13CMETHYL, no=1279, id=1271, vol=1.110000e+06
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   34 and name   HA) 2.717 0.923 0.923 weight 1.000 spectrum  3 peak  1284 ! spec=13CMETHYL, no=1284, id=1276, vol=4.280000e+05
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   34 and name   HA) 2.717 0.923 0.923 weight 1.000 spectrum  3 peak  1284 ! spec=13CMETHYL, no=1284, id=1276, vol=4.280000e+05
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   34 and name   HA) 2.717 0.923 0.923 weight 1.000 spectrum  3 peak  1284 ! spec=13CMETHYL, no=1284, id=1276, vol=4.280000e+05
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   34 and name   HA) 2.717 0.923 0.923 weight 1.000 spectrum  3 peak  1284 ! spec=13CMETHYL, no=1284, id=1276, vol=4.280000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    9 and name   HA) 3.212 1.289 1.452 weight 1.000 spectrum  3 peak  1289 ! spec=13CMETHYL, no=1289, id=1281, vol=1.570000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    9 and name   HA) 3.212 1.289 1.452 weight 1.000 spectrum  3 peak  1289 ! spec=13CMETHYL, no=1289, id=1281, vol=1.570000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    9 and name   HA) 3.212 1.289 1.452 weight 1.000 spectrum  3 peak  1289 ! spec=13CMETHYL, no=1289, id=1281, vol=1.570000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    9 and name   HA) 3.212 1.289 1.452 weight 1.000 spectrum  3 peak  1289 ! spec=13CMETHYL, no=1289, id=1281, vol=1.570000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    9 and name   HA) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1290 ! spec=13CMETHYL, no=1290, id=1282, vol=9.790000e+04
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    9 and name   HA) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1290 ! spec=13CMETHYL, no=1290, id=1282, vol=9.790000e+04
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    9 and name   HA) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1290 ! spec=13CMETHYL, no=1290, id=1282, vol=9.790000e+04
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    9 and name   HA) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1290 ! spec=13CMETHYL, no=1290, id=1282, vol=9.790000e+04
assign (segid "   A" and resid    2 and name  HB#) (segid "   A" and resid    3 and name   HA) 3.036 3.036 2.964 weight 1.000 spectrum  3 peak  1293 ! spec=13CMETHYL, no=1293, id=1285, vol=2.200000e+05
assign (segid "   B" and resid    2 and name  HB#) (segid "   B" and resid    3 and name   HA) 3.036 3.036 2.964 weight 1.000 spectrum  3 peak  1293 ! spec=13CMETHYL, no=1293, id=1285, vol=2.200000e+05
assign (segid "   C" and resid    2 and name  HB#) (segid "   C" and resid    3 and name   HA) 3.036 3.036 2.964 weight 1.000 spectrum  3 peak  1293 ! spec=13CMETHYL, no=1293, id=1285, vol=2.200000e+05
assign (segid "   D" and resid    2 and name  HB#) (segid "   D" and resid    3 and name   HA) 3.036 3.036 2.964 weight 1.000 spectrum  3 peak  1293 ! spec=13CMETHYL, no=1293, id=1285, vol=2.200000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid    9 and name   HA) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1295 ! spec=13CMETHYL, no=1295, id=1286, vol=1.370000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid    9 and name   HA) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1295 ! spec=13CMETHYL, no=1295, id=1286, vol=1.370000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid    9 and name   HA) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1295 ! spec=13CMETHYL, no=1295, id=1286, vol=1.370000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid    9 and name   HA) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1295 ! spec=13CMETHYL, no=1295, id=1286, vol=1.370000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   B" and resid    9 and name   HA) 3.457 1.494 1.494 weight 1.000 spectrum  3 peak  1296 ! spec=13CMETHYL, no=1296, id=1287, vol=1.010000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   A" and resid    9 and name   HA) 3.457 1.494 1.494 weight 1.000 spectrum  3 peak  1296 ! spec=13CMETHYL, no=1296, id=1287, vol=1.010000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   D" and resid    9 and name   HA) 3.457 1.494 1.494 weight 1.000 spectrum  3 peak  1296 ! spec=13CMETHYL, no=1296, id=1287, vol=1.010000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   C" and resid    9 and name   HA) 3.457 1.494 1.494 weight 1.000 spectrum  3 peak  1296 ! spec=13CMETHYL, no=1296, id=1287, vol=1.010000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    4 and name   HA) 2.040 0.520 0.520 weight 1.000 spectrum  3 peak  1305 ! spec=13CMETHYL, no=1305, id=1291, vol=2.390000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    4 and name   HA) 2.040 0.520 0.520 weight 1.000 spectrum  3 peak  1305 ! spec=13CMETHYL, no=1305, id=1291, vol=2.390000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    4 and name   HA) 2.040 0.520 0.520 weight 1.000 spectrum  3 peak  1305 ! spec=13CMETHYL, no=1305, id=1291, vol=2.390000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    4 and name   HA) 2.040 0.520 0.520 weight 1.000 spectrum  3 peak  1305 ! spec=13CMETHYL, no=1305, id=1291, vol=2.390000e+06
assign (segid "   A" and resid    2 and name  HG#) (segid "   A" and resid    1 and name   HA) 3.551 1.576 1.576 weight 1.000 spectrum  3 peak  1310 ! spec=13CMETHYL, no=1310, id=1294, vol=8.600000e+04
assign (segid "   B" and resid    2 and name  HG#) (segid "   B" and resid    1 and name   HA) 3.551 1.576 1.576 weight 1.000 spectrum  3 peak  1310 ! spec=13CMETHYL, no=1310, id=1294, vol=8.600000e+04
assign (segid "   C" and resid    2 and name  HG#) (segid "   C" and resid    1 and name   HA) 3.551 1.576 1.576 weight 1.000 spectrum  3 peak  1310 ! spec=13CMETHYL, no=1310, id=1294, vol=8.600000e+04
assign (segid "   D" and resid    2 and name  HG#) (segid "   D" and resid    1 and name   HA) 3.551 1.576 1.576 weight 1.000 spectrum  3 peak  1310 ! spec=13CMETHYL, no=1310, id=1294, vol=8.600000e+04
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name   HA) 2.504 0.784 0.784 weight 1.000 spectrum  3 peak  1328 ! spec=13CMETHYL, no=1328, id=1297, vol=6.990000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name   HA) 2.504 0.784 0.784 weight 1.000 spectrum  3 peak  1328 ! spec=13CMETHYL, no=1328, id=1297, vol=6.990000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name   HA) 2.504 0.784 0.784 weight 1.000 spectrum  3 peak  1328 ! spec=13CMETHYL, no=1328, id=1297, vol=6.990000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name   HA) 2.504 0.784 0.784 weight 1.000 spectrum  3 peak  1328 ! spec=13CMETHYL, no=1328, id=1297, vol=6.990000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name   HA) 2.514 0.790 1.030 weight 1.000 spectrum  3 peak  1329 ! spec=13CMETHYL, no=1329, id=1298, vol=6.820000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name   HA) 2.514 0.790 1.030 weight 1.000 spectrum  3 peak  1329 ! spec=13CMETHYL, no=1329, id=1298, vol=6.820000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name   HA) 2.514 0.790 1.030 weight 1.000 spectrum  3 peak  1329 ! spec=13CMETHYL, no=1329, id=1298, vol=6.820000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name   HA) 2.514 0.790 1.030 weight 1.000 spectrum  3 peak  1329 ! spec=13CMETHYL, no=1329, id=1298, vol=6.820000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid   10 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1330 ! spec=13CMETHYL, no=1330, id=1299, vol=1.090000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid   10 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1330 ! spec=13CMETHYL, no=1330, id=1299, vol=1.090000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid   10 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1330 ! spec=13CMETHYL, no=1330, id=1299, vol=1.090000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid   10 and name   HA) 2.325 0.676 0.676 weight 1.000 spectrum  3 peak  1330 ! spec=13CMETHYL, no=1330, id=1299, vol=1.090000e+06
assign (segid "   A" and resid    7 and name  HB#) (segid "   A" and resid    7 and name   HA) 2.536 0.804 0.804 weight 1.000 spectrum  3 peak  1333 ! spec=13CMETHYL, no=1333, id=1300, vol=6.470000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   B" and resid    7 and name   HA) 2.536 0.804 0.804 weight 1.000 spectrum  3 peak  1333 ! spec=13CMETHYL, no=1333, id=1300, vol=6.470000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   C" and resid    7 and name   HA) 2.536 0.804 0.804 weight 1.000 spectrum  3 peak  1333 ! spec=13CMETHYL, no=1333, id=1300, vol=6.470000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   D" and resid    7 and name   HA) 2.536 0.804 0.804 weight 1.000 spectrum  3 peak  1333 ! spec=13CMETHYL, no=1333, id=1300, vol=6.470000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    7 and name   HA) 3.005 3.005 2.995 weight 1.000 spectrum  3 peak  1336 ! spec=13CMETHYL, no=1336, id=1303, vol=2.340000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    7 and name   HA) 3.005 3.005 2.995 weight 1.000 spectrum  3 peak  1336 ! spec=13CMETHYL, no=1336, id=1303, vol=2.340000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    7 and name   HA) 3.005 3.005 2.995 weight 1.000 spectrum  3 peak  1336 ! spec=13CMETHYL, no=1336, id=1303, vol=2.340000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    7 and name   HA) 3.005 3.005 2.995 weight 1.000 spectrum  3 peak  1336 ! spec=13CMETHYL, no=1336, id=1303, vol=2.340000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid    8 and name   HA) 3.236 1.309 1.309 weight 1.000 spectrum  3 peak  1340 ! spec=13CMETHYL, no=1340, id=1305, vol=1.500000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid    8 and name   HA) 3.236 1.309 1.309 weight 1.000 spectrum  3 peak  1340 ! spec=13CMETHYL, no=1340, id=1305, vol=1.500000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid    8 and name   HA) 3.236 1.309 1.309 weight 1.000 spectrum  3 peak  1340 ! spec=13CMETHYL, no=1340, id=1305, vol=1.500000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid    8 and name   HA) 3.236 1.309 1.309 weight 1.000 spectrum  3 peak  1340 ! spec=13CMETHYL, no=1340, id=1305, vol=1.500000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name   HA) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak  1347 ! spec=13CMETHYL, no=1347, id=1309, vol=6.390000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name   HA) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak  1347 ! spec=13CMETHYL, no=1347, id=1309, vol=6.390000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name   HA) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak  1347 ! spec=13CMETHYL, no=1347, id=1309, vol=6.390000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name   HA) 2.542 0.808 0.808 weight 1.000 spectrum  3 peak  1347 ! spec=13CMETHYL, no=1347, id=1309, vol=6.390000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    6 and name   HA) 3.034 1.150 1.150 weight 1.000 spectrum  3 peak  1351 ! spec=13CMETHYL, no=1351, id=1312, vol=2.210000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    6 and name   HA) 3.034 1.150 1.150 weight 1.000 spectrum  3 peak  1351 ! spec=13CMETHYL, no=1351, id=1312, vol=2.210000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    6 and name   HA) 3.034 1.150 1.150 weight 1.000 spectrum  3 peak  1351 ! spec=13CMETHYL, no=1351, id=1312, vol=2.210000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    6 and name   HA) 3.034 1.150 1.150 weight 1.000 spectrum  3 peak  1351 ! spec=13CMETHYL, no=1351, id=1312, vol=2.210000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name   HA) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak  1352 ! spec=13CMETHYL, no=1352, id=1313, vol=1.350000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name   HA) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak  1352 ! spec=13CMETHYL, no=1352, id=1313, vol=1.350000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name   HA) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak  1352 ! spec=13CMETHYL, no=1352, id=1313, vol=1.350000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name   HA) 3.294 3.294 2.706 weight 1.000 spectrum  3 peak  1352 ! spec=13CMETHYL, no=1352, id=1313, vol=1.350000e+05
assign (segid "   A" and resid   12 and name  HB#) (segid "   B" and resid    5 and name  HE#) 3.205 1.284 1.284 weight 1.000 spectrum  3 peak  1359 ! spec=13CMETHYL, no=1359, id=1318, vol=1.590000e+05
assign (segid "   B" and resid   12 and name  HB#) (segid "   A" and resid    5 and name  HE#) 3.205 1.284 1.284 weight 1.000 spectrum  3 peak  1359 ! spec=13CMETHYL, no=1359, id=1318, vol=1.590000e+05
assign (segid "   C" and resid   12 and name  HB#) (segid "   D" and resid    5 and name  HE#) 3.205 1.284 1.284 weight 1.000 spectrum  3 peak  1359 ! spec=13CMETHYL, no=1359, id=1318, vol=1.590000e+05
assign (segid "   D" and resid   12 and name  HB#) (segid "   C" and resid    5 and name  HE#) 3.205 1.284 1.284 weight 1.000 spectrum  3 peak  1359 ! spec=13CMETHYL, no=1359, id=1318, vol=1.590000e+05
assign (segid "   A" and resid   12 and name  HB#) (segid "   B" and resid    5 and name  HE#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak  1362 ! spec=13CMETHYL, no=1362, id=1321, vol=2.340000e+05
assign (segid "   B" and resid   12 and name  HB#) (segid "   A" and resid    5 and name  HE#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak  1362 ! spec=13CMETHYL, no=1362, id=1321, vol=2.340000e+05
assign (segid "   C" and resid   12 and name  HB#) (segid "   D" and resid    5 and name  HE#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak  1362 ! spec=13CMETHYL, no=1362, id=1321, vol=2.340000e+05
assign (segid "   D" and resid   12 and name  HB#) (segid "   C" and resid    5 and name  HE#) 3.005 1.129 1.129 weight 1.000 spectrum  3 peak  1362 ! spec=13CMETHYL, no=1362, id=1321, vol=2.340000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   B" and resid    5 and name  HE#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1363 ! spec=13CMETHYL, no=1363, id=1322, vol=1.630000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   A" and resid    5 and name  HE#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1363 ! spec=13CMETHYL, no=1363, id=1322, vol=1.630000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   D" and resid    5 and name  HE#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1363 ! spec=13CMETHYL, no=1363, id=1322, vol=1.630000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   C" and resid    5 and name  HE#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1363 ! spec=13CMETHYL, no=1363, id=1322, vol=1.630000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   B" and resid    5 and name  HE#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1364 ! spec=13CMETHYL, no=1364, id=1323, vol=2.420000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   A" and resid    5 and name  HE#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1364 ! spec=13CMETHYL, no=1364, id=1323, vol=2.420000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   D" and resid    5 and name  HE#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1364 ! spec=13CMETHYL, no=1364, id=1323, vol=2.420000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   C" and resid    5 and name  HE#) 2.988 2.988 3.012 weight 1.000 spectrum  3 peak  1364 ! spec=13CMETHYL, no=1364, id=1323, vol=2.420000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    5 and name  HD#) 3.212 1.289 1.289 weight 1.000 spectrum  3 peak  1368 ! spec=13CMETHYL, no=1368, id=1327, vol=1.570000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    5 and name  HD#) 3.212 1.289 1.289 weight 1.000 spectrum  3 peak  1368 ! spec=13CMETHYL, no=1368, id=1327, vol=1.570000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    5 and name  HD#) 3.212 1.289 1.289 weight 1.000 spectrum  3 peak  1368 ! spec=13CMETHYL, no=1368, id=1327, vol=1.570000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    5 and name  HD#) 3.212 1.289 1.289 weight 1.000 spectrum  3 peak  1368 ! spec=13CMETHYL, no=1368, id=1327, vol=1.570000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    5 and name  HD#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak  1370 ! spec=13CMETHYL, no=1370, id=1328, vol=4.450000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    5 and name  HD#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak  1370 ! spec=13CMETHYL, no=1370, id=1328, vol=4.450000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    5 and name  HD#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak  1370 ! spec=13CMETHYL, no=1370, id=1328, vol=4.450000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    5 and name  HD#) 2.700 2.700 3.300 weight 1.000 spectrum  3 peak  1370 ! spec=13CMETHYL, no=1370, id=1328, vol=4.450000e+05
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name HE2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1373 ! spec=13CMETHYL, no=1373, id=1329, vol=3.760000e+05
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name HE2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1373 ! spec=13CMETHYL, no=1373, id=1329, vol=3.760000e+05
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name HE2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1373 ! spec=13CMETHYL, no=1373, id=1329, vol=3.760000e+05
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name HE2#) 2.777 0.964 0.964 weight 1.000 spectrum  3 peak  1373 ! spec=13CMETHYL, no=1373, id=1329, vol=3.760000e+05
assign (segid "   A" and resid    5 and name  HB#) (segid "   B" and resid   15 and name  HD#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1378 ! spec=13CMETHYL, no=1378, id=1332, vol=2.270000e+05
assign (segid "   B" and resid    5 and name  HB#) (segid "   A" and resid   15 and name  HD#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1378 ! spec=13CMETHYL, no=1378, id=1332, vol=2.270000e+05
assign (segid "   C" and resid    5 and name  HB#) (segid "   D" and resid   15 and name  HD#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1378 ! spec=13CMETHYL, no=1378, id=1332, vol=2.270000e+05
assign (segid "   D" and resid    5 and name  HB#) (segid "   C" and resid   15 and name  HD#) 3.020 1.140 1.140 weight 1.000 spectrum  3 peak  1378 ! spec=13CMETHYL, no=1378, id=1332, vol=2.270000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   A" and resid   15 and name  HD#) 2.871 1.030 1.030 weight 1.000 spectrum  3 peak  1385 ! spec=13CMETHYL, no=1385, id=1339, vol=3.080000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   B" and resid   15 and name  HD#) 2.871 1.030 1.030 weight 1.000 spectrum  3 peak  1385 ! spec=13CMETHYL, no=1385, id=1339, vol=3.080000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   C" and resid   15 and name  HD#) 2.871 1.030 1.030 weight 1.000 spectrum  3 peak  1385 ! spec=13CMETHYL, no=1385, id=1339, vol=3.080000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   D" and resid   15 and name  HD#) 2.871 1.030 1.030 weight 1.000 spectrum  3 peak  1385 ! spec=13CMETHYL, no=1385, id=1339, vol=3.080000e+05
assign (segid "   A" and resid   19 and name  HG#) (segid "   A" and resid   15 and name  HD#) 2.986 1.115 1.115 weight 1.000 spectrum  3 peak  1386 ! spec=13CMETHYL, no=1386, id=1340, vol=2.430000e+05
assign (segid "   B" and resid   19 and name  HG#) (segid "   B" and resid   15 and name  HD#) 2.986 1.115 1.115 weight 1.000 spectrum  3 peak  1386 ! spec=13CMETHYL, no=1386, id=1340, vol=2.430000e+05
assign (segid "   C" and resid   19 and name  HG#) (segid "   C" and resid   15 and name  HD#) 2.986 1.115 1.115 weight 1.000 spectrum  3 peak  1386 ! spec=13CMETHYL, no=1386, id=1340, vol=2.430000e+05
assign (segid "   D" and resid   19 and name  HG#) (segid "   D" and resid   15 and name  HD#) 2.986 1.115 1.115 weight 1.000 spectrum  3 peak  1386 ! spec=13CMETHYL, no=1386, id=1340, vol=2.430000e+05
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   15 and name  HD#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1387 ! spec=13CMETHYL, no=1387, id=1341, vol=1.100000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   15 and name  HD#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1387 ! spec=13CMETHYL, no=1387, id=1341, vol=1.100000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   15 and name  HD#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1387 ! spec=13CMETHYL, no=1387, id=1341, vol=1.100000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   15 and name  HD#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1387 ! spec=13CMETHYL, no=1387, id=1341, vol=1.100000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HD#) 3.255 1.324 1.324 weight 1.000 spectrum  3 peak  1389 ! spec=13CMETHYL, no=1389, id=1342, vol=1.450000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HD#) 3.255 1.324 1.324 weight 1.000 spectrum  3 peak  1389 ! spec=13CMETHYL, no=1389, id=1342, vol=1.450000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HD#) 3.255 1.324 1.324 weight 1.000 spectrum  3 peak  1389 ! spec=13CMETHYL, no=1389, id=1342, vol=1.450000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HD#) 3.255 1.324 1.324 weight 1.000 spectrum  3 peak  1389 ! spec=13CMETHYL, no=1389, id=1342, vol=1.450000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   15 and name  HD#) 3.003 1.127 1.558 weight 1.000 spectrum  3 peak  1390 ! spec=13CMETHYL, no=1390, id=1343, vol=2.350000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   15 and name  HD#) 3.003 1.127 1.558 weight 1.000 spectrum  3 peak  1390 ! spec=13CMETHYL, no=1390, id=1343, vol=2.350000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   15 and name  HD#) 3.003 1.127 1.558 weight 1.000 spectrum  3 peak  1390 ! spec=13CMETHYL, no=1390, id=1343, vol=2.350000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   15 and name  HD#) 3.003 1.127 1.558 weight 1.000 spectrum  3 peak  1390 ! spec=13CMETHYL, no=1390, id=1343, vol=2.350000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    6 and name  HE#) 2.656 0.882 0.882 weight 1.000 spectrum  3 peak  1395 ! spec=13CMETHYL, no=1395, id=1344, vol=4.910000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    6 and name  HE#) 2.656 0.882 0.882 weight 1.000 spectrum  3 peak  1395 ! spec=13CMETHYL, no=1395, id=1344, vol=4.910000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    6 and name  HE#) 2.656 0.882 0.882 weight 1.000 spectrum  3 peak  1395 ! spec=13CMETHYL, no=1395, id=1344, vol=4.910000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    6 and name  HE#) 2.656 0.882 0.882 weight 1.000 spectrum  3 peak  1395 ! spec=13CMETHYL, no=1395, id=1344, vol=4.910000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name  HE#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1396 ! spec=13CMETHYL, no=1396, id=1345, vol=2.640000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name  HE#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1396 ! spec=13CMETHYL, no=1396, id=1345, vol=2.640000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name  HE#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1396 ! spec=13CMETHYL, no=1396, id=1345, vol=2.640000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name  HE#) 2.945 2.945 3.055 weight 1.000 spectrum  3 peak  1396 ! spec=13CMETHYL, no=1396, id=1345, vol=2.640000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    6 and name  HE#) 2.311 2.311 3.689 weight 1.000 spectrum  3 peak  1399 ! spec=13CMETHYL, no=1399, id=1348, vol=1.130000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    6 and name  HE#) 2.311 2.311 3.689 weight 1.000 spectrum  3 peak  1399 ! spec=13CMETHYL, no=1399, id=1348, vol=1.130000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    6 and name  HE#) 2.311 2.311 3.689 weight 1.000 spectrum  3 peak  1399 ! spec=13CMETHYL, no=1399, id=1348, vol=1.130000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    6 and name  HE#) 2.311 2.311 3.689 weight 1.000 spectrum  3 peak  1399 ! spec=13CMETHYL, no=1399, id=1348, vol=1.130000e+06
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name HE2#) 2.404 2.404 3.596 weight 1.000 spectrum  3 peak  1404 ! spec=13CMETHYL, no=1404, id=1350, vol=8.930000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name HE2#) 2.404 2.404 3.596 weight 1.000 spectrum  3 peak  1404 ! spec=13CMETHYL, no=1404, id=1350, vol=8.930000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name HE2#) 2.404 2.404 3.596 weight 1.000 spectrum  3 peak  1404 ! spec=13CMETHYL, no=1404, id=1350, vol=8.930000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name HE2#) 2.404 2.404 3.596 weight 1.000 spectrum  3 peak  1404 ! spec=13CMETHYL, no=1404, id=1350, vol=8.930000e+05
assign (segid "   A" and resid   43 and name  HB#) (segid "   A" and resid   43 and name HE2#) 2.869 2.869 3.131 weight 1.000 spectrum  3 peak  1405 ! spec=13CMETHYL, no=1405, id=1351, vol=3.090000e+05
assign (segid "   B" and resid   43 and name  HB#) (segid "   B" and resid   43 and name HE2#) 2.869 2.869 3.131 weight 1.000 spectrum  3 peak  1405 ! spec=13CMETHYL, no=1405, id=1351, vol=3.090000e+05
assign (segid "   C" and resid   43 and name  HB#) (segid "   C" and resid   43 and name HE2#) 2.869 2.869 3.131 weight 1.000 spectrum  3 peak  1405 ! spec=13CMETHYL, no=1405, id=1351, vol=3.090000e+05
assign (segid "   D" and resid   43 and name  HB#) (segid "   D" and resid   43 and name HE2#) 2.869 2.869 3.131 weight 1.000 spectrum  3 peak  1405 ! spec=13CMETHYL, no=1405, id=1351, vol=3.090000e+05
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name HD2#) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1407 ! spec=13CMETHYL, no=1407, id=1352, vol=9.430000e+04
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name HD2#) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1407 ! spec=13CMETHYL, no=1407, id=1352, vol=9.430000e+04
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name HD2#) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1407 ! spec=13CMETHYL, no=1407, id=1352, vol=9.430000e+04
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name HD2#) 3.496 1.528 1.528 weight 1.000 spectrum  3 peak  1407 ! spec=13CMETHYL, no=1407, id=1352, vol=9.430000e+04
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name HD2#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak  1409 ! spec=13CMETHYL, no=1409, id=1353, vol=1.750000e+05
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name HD2#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak  1409 ! spec=13CMETHYL, no=1409, id=1353, vol=1.750000e+05
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name HD2#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak  1409 ! spec=13CMETHYL, no=1409, id=1353, vol=1.750000e+05
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name HD2#) 3.154 1.244 1.244 weight 1.000 spectrum  3 peak  1409 ! spec=13CMETHYL, no=1409, id=1353, vol=1.750000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name  HE#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak  1412 ! spec=13CMETHYL, no=1412, id=1356, vol=3.390000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name  HE#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak  1412 ! spec=13CMETHYL, no=1412, id=1356, vol=3.390000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name  HE#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak  1412 ! spec=13CMETHYL, no=1412, id=1356, vol=3.390000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name  HE#) 2.825 0.998 0.998 weight 1.000 spectrum  3 peak  1412 ! spec=13CMETHYL, no=1412, id=1356, vol=3.390000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name  HE#) 2.841 1.009 1.056 weight 1.000 spectrum  3 peak  1413 ! spec=13CMETHYL, no=1413, id=1357, vol=3.280000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name  HE#) 2.841 1.009 1.056 weight 1.000 spectrum  3 peak  1413 ! spec=13CMETHYL, no=1413, id=1357, vol=3.280000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name  HE#) 2.841 1.009 1.056 weight 1.000 spectrum  3 peak  1413 ! spec=13CMETHYL, no=1413, id=1357, vol=3.280000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name  HE#) 2.841 1.009 1.056 weight 1.000 spectrum  3 peak  1413 ! spec=13CMETHYL, no=1413, id=1357, vol=3.280000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name HE2#) 2.615 0.855 0.855 weight 1.000 spectrum  3 peak  1414 ! spec=13CMETHYL, no=1414, id=1358, vol=5.390000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name HE2#) 2.615 0.855 0.855 weight 1.000 spectrum  3 peak  1414 ! spec=13CMETHYL, no=1414, id=1358, vol=5.390000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name HE2#) 2.615 0.855 0.855 weight 1.000 spectrum  3 peak  1414 ! spec=13CMETHYL, no=1414, id=1358, vol=5.390000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name HE2#) 2.615 0.855 0.855 weight 1.000 spectrum  3 peak  1414 ! spec=13CMETHYL, no=1414, id=1358, vol=5.390000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    8 and name HE2#) 3.485 1.519 1.519 weight 1.000 spectrum  3 peak  1416 ! spec=13CMETHYL, no=1416, id=1360, vol=9.610000e+04
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    8 and name HE2#) 3.485 1.519 1.519 weight 1.000 spectrum  3 peak  1416 ! spec=13CMETHYL, no=1416, id=1360, vol=9.610000e+04
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    8 and name HE2#) 3.485 1.519 1.519 weight 1.000 spectrum  3 peak  1416 ! spec=13CMETHYL, no=1416, id=1360, vol=9.610000e+04
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    8 and name HE2#) 3.485 1.519 1.519 weight 1.000 spectrum  3 peak  1416 ! spec=13CMETHYL, no=1416, id=1360, vol=9.610000e+04
assign (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   39 and name  HE#) 2.785 0.970 0.970 weight 1.000 spectrum  3 peak  1419 ! spec=13CMETHYL, no=1419, id=1363, vol=3.690000e+05
assign (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   39 and name  HE#) 2.785 0.970 0.970 weight 1.000 spectrum  3 peak  1419 ! spec=13CMETHYL, no=1419, id=1363, vol=3.690000e+05
assign (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   39 and name  HE#) 2.785 0.970 0.970 weight 1.000 spectrum  3 peak  1419 ! spec=13CMETHYL, no=1419, id=1363, vol=3.690000e+05
assign (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   39 and name  HE#) 2.785 0.970 0.970 weight 1.000 spectrum  3 peak  1419 ! spec=13CMETHYL, no=1419, id=1363, vol=3.690000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   39 and name  HE#) 3.517 1.546 1.546 weight 1.000 spectrum  3 peak  1420 ! spec=13CMETHYL, no=1420, id=1364, vol=9.110000e+04
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   39 and name  HE#) 3.517 1.546 1.546 weight 1.000 spectrum  3 peak  1420 ! spec=13CMETHYL, no=1420, id=1364, vol=9.110000e+04
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   39 and name  HE#) 3.517 1.546 1.546 weight 1.000 spectrum  3 peak  1420 ! spec=13CMETHYL, no=1420, id=1364, vol=9.110000e+04
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   39 and name  HE#) 3.517 1.546 1.546 weight 1.000 spectrum  3 peak  1420 ! spec=13CMETHYL, no=1420, id=1364, vol=9.110000e+04
assign (segid "   A" and resid   23 and name  HB#) (segid "   C" and resid   39 and name  HE#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak  1421 ! spec=13CMETHYL, no=1421, id=1365, vol=2.700000e+05
assign (segid "   B" and resid   23 and name  HB#) (segid "   D" and resid   39 and name  HE#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak  1421 ! spec=13CMETHYL, no=1421, id=1365, vol=2.700000e+05
assign (segid "   C" and resid   23 and name  HB#) (segid "   A" and resid   39 and name  HE#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak  1421 ! spec=13CMETHYL, no=1421, id=1365, vol=2.700000e+05
assign (segid "   D" and resid   23 and name  HB#) (segid "   B" and resid   39 and name  HE#) 2.934 1.076 1.076 weight 1.000 spectrum  3 peak  1421 ! spec=13CMETHYL, no=1421, id=1365, vol=2.700000e+05
assign (segid "   A" and resid   27 and name   HG) (segid "   C" and resid   39 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  3 peak  1424 ! spec=13CMETHYL, no=1424, id=1368, vol=8.070000e+04
assign (segid "   B" and resid   27 and name   HG) (segid "   D" and resid   39 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  3 peak  1424 ! spec=13CMETHYL, no=1424, id=1368, vol=8.070000e+04
assign (segid "   C" and resid   27 and name   HG) (segid "   A" and resid   39 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  3 peak  1424 ! spec=13CMETHYL, no=1424, id=1368, vol=8.070000e+04
assign (segid "   D" and resid   27 and name   HG) (segid "   B" and resid   39 and name  HE#) 3.588 1.610 1.610 weight 1.000 spectrum  3 peak  1424 ! spec=13CMETHYL, no=1424, id=1368, vol=8.070000e+04
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name HE2#) 2.508 0.786 0.786 weight 1.000 spectrum  3 peak  1430 ! spec=13CMETHYL, no=1430, id=1369, vol=6.930000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name HE2#) 2.508 0.786 0.786 weight 1.000 spectrum  3 peak  1430 ! spec=13CMETHYL, no=1430, id=1369, vol=6.930000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name HE2#) 2.508 0.786 0.786 weight 1.000 spectrum  3 peak  1430 ! spec=13CMETHYL, no=1430, id=1369, vol=6.930000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name HE2#) 2.508 0.786 0.786 weight 1.000 spectrum  3 peak  1430 ! spec=13CMETHYL, no=1430, id=1369, vol=6.930000e+05
assign (segid "   A" and resid   22 and name  HE#) (segid "   C" and resid   47 and name HE2#) 3.082 1.187 1.187 weight 1.000 spectrum  3 peak  1435 ! spec=13CMETHYL, no=1435, id=1373, vol=2.010000e+05
assign (segid "   B" and resid   22 and name  HE#) (segid "   D" and resid   47 and name HE2#) 3.082 1.187 1.187 weight 1.000 spectrum  3 peak  1435 ! spec=13CMETHYL, no=1435, id=1373, vol=2.010000e+05
assign (segid "   C" and resid   22 and name  HE#) (segid "   A" and resid   47 and name HE2#) 3.082 1.187 1.187 weight 1.000 spectrum  3 peak  1435 ! spec=13CMETHYL, no=1435, id=1373, vol=2.010000e+05
assign (segid "   D" and resid   22 and name  HE#) (segid "   B" and resid   47 and name HE2#) 3.082 1.187 1.187 weight 1.000 spectrum  3 peak  1435 ! spec=13CMETHYL, no=1435, id=1373, vol=2.010000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    6 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1441 ! spec=13CMETHYL, no=1441, id=1378, vol=3.910000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    6 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1441 ! spec=13CMETHYL, no=1441, id=1378, vol=3.910000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    6 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1441 ! spec=13CMETHYL, no=1441, id=1378, vol=3.910000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    6 and name  HD#) 2.759 0.951 0.951 weight 1.000 spectrum  3 peak  1441 ! spec=13CMETHYL, no=1441, id=1378, vol=3.910000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   B" and resid    6 and name  HD#) 2.990 2.990 3.010 weight 1.000 spectrum  3 peak  1442 ! spec=13CMETHYL, no=1442, id=1379, vol=2.410000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   A" and resid    6 and name  HD#) 2.990 2.990 3.010 weight 1.000 spectrum  3 peak  1442 ! spec=13CMETHYL, no=1442, id=1379, vol=2.410000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   D" and resid    6 and name  HD#) 2.990 2.990 3.010 weight 1.000 spectrum  3 peak  1442 ! spec=13CMETHYL, no=1442, id=1379, vol=2.410000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   C" and resid    6 and name  HD#) 2.990 2.990 3.010 weight 1.000 spectrum  3 peak  1442 ! spec=13CMETHYL, no=1442, id=1379, vol=2.410000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   A" and resid    6 and name  HD#) 2.652 2.652 3.348 weight 1.000 spectrum  3 peak  1444 ! spec=13CMETHYL, no=1444, id=1381, vol=4.950000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   B" and resid    6 and name  HD#) 2.652 2.652 3.348 weight 1.000 spectrum  3 peak  1444 ! spec=13CMETHYL, no=1444, id=1381, vol=4.950000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   C" and resid    6 and name  HD#) 2.652 2.652 3.348 weight 1.000 spectrum  3 peak  1444 ! spec=13CMETHYL, no=1444, id=1381, vol=4.950000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   D" and resid    6 and name  HD#) 2.652 2.652 3.348 weight 1.000 spectrum  3 peak  1444 ! spec=13CMETHYL, no=1444, id=1381, vol=4.950000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   39 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1445 ! spec=13CMETHYL, no=1445, id=1382, vol=1.040000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   39 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1445 ! spec=13CMETHYL, no=1445, id=1382, vol=1.040000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   39 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1445 ! spec=13CMETHYL, no=1445, id=1382, vol=1.040000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   39 and name  HD#) 3.440 1.479 1.479 weight 1.000 spectrum  3 peak  1445 ! spec=13CMETHYL, no=1445, id=1382, vol=1.040000e+05
assign (segid "   A" and resid   40 and name  HG#) (segid "   A" and resid   39 and name  HD#) 2.947 1.086 1.086 weight 1.000 spectrum  3 peak  1446 ! spec=13CMETHYL, no=1446, id=1383, vol=2.630000e+05
assign (segid "   B" and resid   40 and name  HG#) (segid "   B" and resid   39 and name  HD#) 2.947 1.086 1.086 weight 1.000 spectrum  3 peak  1446 ! spec=13CMETHYL, no=1446, id=1383, vol=2.630000e+05
assign (segid "   C" and resid   40 and name  HG#) (segid "   C" and resid   39 and name  HD#) 2.947 1.086 1.086 weight 1.000 spectrum  3 peak  1446 ! spec=13CMETHYL, no=1446, id=1383, vol=2.630000e+05
assign (segid "   D" and resid   40 and name  HG#) (segid "   D" and resid   39 and name  HD#) 2.947 1.086 1.086 weight 1.000 spectrum  3 peak  1446 ! spec=13CMETHYL, no=1446, id=1383, vol=2.630000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name  HD#) 3.429 1.470 1.470 weight 1.000 spectrum  3 peak  1451 ! spec=13CMETHYL, no=1451, id=1387, vol=1.060000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name  HD#) 3.429 1.470 1.470 weight 1.000 spectrum  3 peak  1451 ! spec=13CMETHYL, no=1451, id=1387, vol=1.060000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name  HD#) 3.429 1.470 1.470 weight 1.000 spectrum  3 peak  1451 ! spec=13CMETHYL, no=1451, id=1387, vol=1.060000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name  HD#) 3.429 1.470 1.470 weight 1.000 spectrum  3 peak  1451 ! spec=13CMETHYL, no=1451, id=1387, vol=1.060000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   C" and resid   39 and name  HD#) 3.524 1.553 1.553 weight 1.000 spectrum  3 peak  1452 ! spec=13CMETHYL, no=1452, id=1388, vol=8.990000e+04
assign (segid "   B" and resid   23 and name  HG#) (segid "   D" and resid   39 and name  HD#) 3.524 1.553 1.553 weight 1.000 spectrum  3 peak  1452 ! spec=13CMETHYL, no=1452, id=1388, vol=8.990000e+04
assign (segid "   C" and resid   23 and name  HG#) (segid "   A" and resid   39 and name  HD#) 3.524 1.553 1.553 weight 1.000 spectrum  3 peak  1452 ! spec=13CMETHYL, no=1452, id=1388, vol=8.990000e+04
assign (segid "   D" and resid   23 and name  HG#) (segid "   B" and resid   39 and name  HD#) 3.524 1.553 1.553 weight 1.000 spectrum  3 peak  1452 ! spec=13CMETHYL, no=1452, id=1388, vol=8.990000e+04
assign (segid "   A" and resid   43 and name  HG#) (segid "   A" and resid   43 and name HE2#) 2.618 0.857 0.857 weight 1.000 spectrum  3 peak  1453 ! spec=13CMETHYL, no=1453, id=1389, vol=5.350000e+05
assign (segid "   B" and resid   43 and name  HG#) (segid "   B" and resid   43 and name HE2#) 2.618 0.857 0.857 weight 1.000 spectrum  3 peak  1453 ! spec=13CMETHYL, no=1453, id=1389, vol=5.350000e+05
assign (segid "   C" and resid   43 and name  HG#) (segid "   C" and resid   43 and name HE2#) 2.618 0.857 0.857 weight 1.000 spectrum  3 peak  1453 ! spec=13CMETHYL, no=1453, id=1389, vol=5.350000e+05
assign (segid "   D" and resid   43 and name  HG#) (segid "   D" and resid   43 and name HE2#) 2.618 0.857 0.857 weight 1.000 spectrum  3 peak  1453 ! spec=13CMETHYL, no=1453, id=1389, vol=5.350000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG#) 2.563 2.563 3.437 weight 1.000 spectrum  3 peak  1462 ! spec=13CMETHYL, no=1462, id=1392, vol=6.080000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HG#) 2.563 2.563 3.437 weight 1.000 spectrum  3 peak  1462 ! spec=13CMETHYL, no=1462, id=1392, vol=6.080000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HG#) 2.563 2.563 3.437 weight 1.000 spectrum  3 peak  1462 ! spec=13CMETHYL, no=1462, id=1392, vol=6.080000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HG#) 2.563 2.563 3.437 weight 1.000 spectrum  3 peak  1462 ! spec=13CMETHYL, no=1462, id=1392, vol=6.080000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HG#) 2.617 2.617 3.383 weight 1.000 spectrum  3 peak  1463 ! spec=13CMETHYL, no=1463, id=1393, vol=5.370000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HG#) 2.617 2.617 3.383 weight 1.000 spectrum  3 peak  1463 ! spec=13CMETHYL, no=1463, id=1393, vol=5.370000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HG#) 2.617 2.617 3.383 weight 1.000 spectrum  3 peak  1463 ! spec=13CMETHYL, no=1463, id=1393, vol=5.370000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HG#) 2.617 2.617 3.383 weight 1.000 spectrum  3 peak  1463 ! spec=13CMETHYL, no=1463, id=1393, vol=5.370000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name  HB#) 3.052 1.165 1.165 weight 1.000 spectrum  3 peak  1464 ! spec=13CMETHYL, no=1464, id=1394, vol=2.130000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name  HB#) 3.052 1.165 1.165 weight 1.000 spectrum  3 peak  1464 ! spec=13CMETHYL, no=1464, id=1394, vol=2.130000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name  HB#) 3.052 1.165 1.165 weight 1.000 spectrum  3 peak  1464 ! spec=13CMETHYL, no=1464, id=1394, vol=2.130000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name  HB#) 3.052 1.165 1.165 weight 1.000 spectrum  3 peak  1464 ! spec=13CMETHYL, no=1464, id=1394, vol=2.130000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  3 peak  1467 ! spec=13CMETHYL, no=1467, id=1397, vol=9.360000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  3 peak  1467 ! spec=13CMETHYL, no=1467, id=1397, vol=9.360000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  3 peak  1467 ! spec=13CMETHYL, no=1467, id=1397, vol=9.360000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HB#) 2.385 0.711 0.711 weight 1.000 spectrum  3 peak  1467 ! spec=13CMETHYL, no=1467, id=1397, vol=9.360000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name  HB#) 2.258 0.637 1.077 weight 1.000 spectrum  3 peak  1468 ! spec=13CMETHYL, no=1468, id=1398, vol=1.300000e+06
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name  HB#) 2.258 0.637 1.077 weight 1.000 spectrum  3 peak  1468 ! spec=13CMETHYL, no=1468, id=1398, vol=1.300000e+06
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name  HB#) 2.258 0.637 1.077 weight 1.000 spectrum  3 peak  1468 ! spec=13CMETHYL, no=1468, id=1398, vol=1.300000e+06
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name  HB#) 2.258 0.637 1.077 weight 1.000 spectrum  3 peak  1468 ! spec=13CMETHYL, no=1468, id=1398, vol=1.300000e+06
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   31 and name   HN) 3.485 1.518 1.518 weight 1.000 spectrum  3 peak  1470 ! spec=13CMETHYL, no=1470, id=1400, vol=9.620000e+04
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   31 and name   HN) 3.485 1.518 1.518 weight 1.000 spectrum  3 peak  1470 ! spec=13CMETHYL, no=1470, id=1400, vol=9.620000e+04
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   31 and name   HN) 3.485 1.518 1.518 weight 1.000 spectrum  3 peak  1470 ! spec=13CMETHYL, no=1470, id=1400, vol=9.620000e+04
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   31 and name   HN) 3.485 1.518 1.518 weight 1.000 spectrum  3 peak  1470 ! spec=13CMETHYL, no=1470, id=1400, vol=9.620000e+04
assign (segid "   A" and resid   29 and name  HB#) (segid "   A" and resid   31 and name   HN) 3.383 1.430 1.707 weight 1.000 spectrum  3 peak  1471 ! spec=13CMETHYL, no=1471, id=1401, vol=1.150000e+05
assign (segid "   B" and resid   29 and name  HB#) (segid "   B" and resid   31 and name   HN) 3.383 1.430 1.707 weight 1.000 spectrum  3 peak  1471 ! spec=13CMETHYL, no=1471, id=1401, vol=1.150000e+05
assign (segid "   C" and resid   29 and name  HB#) (segid "   C" and resid   31 and name   HN) 3.383 1.430 1.707 weight 1.000 spectrum  3 peak  1471 ! spec=13CMETHYL, no=1471, id=1401, vol=1.150000e+05
assign (segid "   D" and resid   29 and name  HB#) (segid "   D" and resid   31 and name   HN) 3.383 1.430 1.707 weight 1.000 spectrum  3 peak  1471 ! spec=13CMETHYL, no=1471, id=1401, vol=1.150000e+05
assign (segid "   A" and resid    7 and name   HG) (segid "   B" and resid   15 and name  HE#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak  1481 ! spec=13CMETHYL, no=1481, id=1404, vol=2.590000e+05
assign (segid "   B" and resid    7 and name   HG) (segid "   A" and resid   15 and name  HE#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak  1481 ! spec=13CMETHYL, no=1481, id=1404, vol=2.590000e+05
assign (segid "   C" and resid    7 and name   HG) (segid "   D" and resid   15 and name  HE#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak  1481 ! spec=13CMETHYL, no=1481, id=1404, vol=2.590000e+05
assign (segid "   D" and resid    7 and name   HG) (segid "   C" and resid   15 and name  HE#) 2.955 1.091 1.091 weight 1.000 spectrum  3 peak  1481 ! spec=13CMETHYL, no=1481, id=1404, vol=2.590000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   15 and name  HE#) 2.927 1.071 1.071 weight 1.000 spectrum  3 peak  1485 ! spec=13CMETHYL, no=1485, id=1405, vol=2.740000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   15 and name  HE#) 2.927 1.071 1.071 weight 1.000 spectrum  3 peak  1485 ! spec=13CMETHYL, no=1485, id=1405, vol=2.740000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   15 and name  HE#) 2.927 1.071 1.071 weight 1.000 spectrum  3 peak  1485 ! spec=13CMETHYL, no=1485, id=1405, vol=2.740000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   15 and name  HE#) 2.927 1.071 1.071 weight 1.000 spectrum  3 peak  1485 ! spec=13CMETHYL, no=1485, id=1405, vol=2.740000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   15 and name  HE#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1486 ! spec=13CMETHYL, no=1486, id=1406, vol=3.000000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   15 and name  HE#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1486 ! spec=13CMETHYL, no=1486, id=1406, vol=3.000000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   15 and name  HE#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1486 ! spec=13CMETHYL, no=1486, id=1406, vol=3.000000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   15 and name  HE#) 2.883 1.039 1.039 weight 1.000 spectrum  3 peak  1486 ! spec=13CMETHYL, no=1486, id=1406, vol=3.000000e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB#) 3.038 1.154 1.154 weight 1.000 spectrum  3 peak  1487 ! spec=13CMETHYL, no=1487, id=1407, vol=2.190000e+05
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   30 and name  HB#) 3.038 1.154 1.154 weight 1.000 spectrum  3 peak  1487 ! spec=13CMETHYL, no=1487, id=1407, vol=2.190000e+05
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name  HB#) 3.038 1.154 1.154 weight 1.000 spectrum  3 peak  1487 ! spec=13CMETHYL, no=1487, id=1407, vol=2.190000e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name  HB#) 3.038 1.154 1.154 weight 1.000 spectrum  3 peak  1487 ! spec=13CMETHYL, no=1487, id=1407, vol=2.190000e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name  HB#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1488 ! spec=13CMETHYL, no=1488, id=1408, vol=1.050000e+05
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   30 and name  HB#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1488 ! spec=13CMETHYL, no=1488, id=1408, vol=1.050000e+05
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name  HB#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1488 ! spec=13CMETHYL, no=1488, id=1408, vol=1.050000e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name  HB#) 3.434 1.474 1.474 weight 1.000 spectrum  3 peak  1488 ! spec=13CMETHYL, no=1488, id=1408, vol=1.050000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   A" and resid    8 and name HE2#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak  1489 ! spec=13CMETHYL, no=1489, id=1409, vol=1.170000e+06
assign (segid "   B" and resid    8 and name  HG#) (segid "   B" and resid    8 and name HE2#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak  1489 ! spec=13CMETHYL, no=1489, id=1409, vol=1.170000e+06
assign (segid "   C" and resid    8 and name  HG#) (segid "   C" and resid    8 and name HE2#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak  1489 ! spec=13CMETHYL, no=1489, id=1409, vol=1.170000e+06
assign (segid "   D" and resid    8 and name  HG#) (segid "   D" and resid    8 and name HE2#) 2.298 0.660 0.660 weight 1.000 spectrum  3 peak  1489 ! spec=13CMETHYL, no=1489, id=1409, vol=1.170000e+06
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    8 and name HE2#) 2.423 2.423 3.577 weight 1.000 spectrum  3 peak  1490 ! spec=13CMETHYL, no=1490, id=1410, vol=8.510000e+05
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    8 and name HE2#) 2.423 2.423 3.577 weight 1.000 spectrum  3 peak  1490 ! spec=13CMETHYL, no=1490, id=1410, vol=8.510000e+05
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    8 and name HE2#) 2.423 2.423 3.577 weight 1.000 spectrum  3 peak  1490 ! spec=13CMETHYL, no=1490, id=1410, vol=8.510000e+05
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    8 and name HE2#) 2.423 2.423 3.577 weight 1.000 spectrum  3 peak  1490 ! spec=13CMETHYL, no=1490, id=1410, vol=8.510000e+05
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name HE2#) 2.957 1.093 1.093 weight 1.000 spectrum  3 peak  1491 ! spec=13CMETHYL, no=1491, id=1411, vol=2.580000e+05
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name HE2#) 2.957 1.093 1.093 weight 1.000 spectrum  3 peak  1491 ! spec=13CMETHYL, no=1491, id=1411, vol=2.580000e+05
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name HE2#) 2.957 1.093 1.093 weight 1.000 spectrum  3 peak  1491 ! spec=13CMETHYL, no=1491, id=1411, vol=2.580000e+05
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name HE2#) 2.957 1.093 1.093 weight 1.000 spectrum  3 peak  1491 ! spec=13CMETHYL, no=1491, id=1411, vol=2.580000e+05
assign (segid "   A" and resid   42 and name  HG#) (segid "   A" and resid   42 and name HE2#) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1492 ! spec=13CMETHYL, no=1492, id=1412, vol=1.440000e+05
assign (segid "   B" and resid   42 and name  HG#) (segid "   B" and resid   42 and name HE2#) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1492 ! spec=13CMETHYL, no=1492, id=1412, vol=1.440000e+05
assign (segid "   C" and resid   42 and name  HG#) (segid "   C" and resid   42 and name HE2#) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1492 ! spec=13CMETHYL, no=1492, id=1412, vol=1.440000e+05
assign (segid "   D" and resid   42 and name  HG#) (segid "   D" and resid   42 and name HE2#) 3.258 1.327 1.327 weight 1.000 spectrum  3 peak  1492 ! spec=13CMETHYL, no=1492, id=1412, vol=1.440000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak  1499 ! spec=13CMETHYL, no=1499, id=1414, vol=6.150000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   35 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak  1499 ! spec=13CMETHYL, no=1499, id=1414, vol=6.150000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak  1499 ! spec=13CMETHYL, no=1499, id=1414, vol=6.150000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name  HB#) 2.558 2.558 3.442 weight 1.000 spectrum  3 peak  1499 ! spec=13CMETHYL, no=1499, id=1414, vol=6.150000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name  HB#) 2.723 0.927 0.927 weight 1.000 spectrum  3 peak  1501 ! spec=13CMETHYL, no=1501, id=1416, vol=4.230000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   35 and name  HB#) 2.723 0.927 0.927 weight 1.000 spectrum  3 peak  1501 ! spec=13CMETHYL, no=1501, id=1416, vol=4.230000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name  HB#) 2.723 0.927 0.927 weight 1.000 spectrum  3 peak  1501 ! spec=13CMETHYL, no=1501, id=1416, vol=4.230000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name  HB#) 2.723 0.927 0.927 weight 1.000 spectrum  3 peak  1501 ! spec=13CMETHYL, no=1501, id=1416, vol=4.230000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak  1504 ! spec=13CMETHYL, no=1504, id=1419, vol=1.230000e+06
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   20 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak  1504 ! spec=13CMETHYL, no=1504, id=1419, vol=1.230000e+06
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak  1504 ! spec=13CMETHYL, no=1504, id=1419, vol=1.230000e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HB#) 2.279 0.649 0.649 weight 1.000 spectrum  3 peak  1504 ! spec=13CMETHYL, no=1504, id=1419, vol=1.230000e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HB) 3.262 1.330 1.330 weight 1.000 spectrum  3 peak  1506 ! spec=13CMETHYL, no=1506, id=1421, vol=1.430000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   36 and name   HB) 3.262 1.330 1.330 weight 1.000 spectrum  3 peak  1506 ! spec=13CMETHYL, no=1506, id=1421, vol=1.430000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   36 and name   HB) 3.262 1.330 1.330 weight 1.000 spectrum  3 peak  1506 ! spec=13CMETHYL, no=1506, id=1421, vol=1.430000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   36 and name   HB) 3.262 1.330 1.330 weight 1.000 spectrum  3 peak  1506 ! spec=13CMETHYL, no=1506, id=1421, vol=1.430000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak  1507 ! spec=13CMETHYL, no=1507, id=1422, vol=1.270000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak  1507 ! spec=13CMETHYL, no=1507, id=1422, vol=1.270000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak  1507 ! spec=13CMETHYL, no=1507, id=1422, vol=1.270000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HB#) 3.327 1.384 1.384 weight 1.000 spectrum  3 peak  1507 ! spec=13CMETHYL, no=1507, id=1422, vol=1.270000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB#) 2.594 0.841 0.841 weight 1.000 spectrum  3 peak  1508 ! spec=13CMETHYL, no=1508, id=1423, vol=5.660000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name  HB#) 2.594 0.841 0.841 weight 1.000 spectrum  3 peak  1508 ! spec=13CMETHYL, no=1508, id=1423, vol=5.660000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HB#) 2.594 0.841 0.841 weight 1.000 spectrum  3 peak  1508 ! spec=13CMETHYL, no=1508, id=1423, vol=5.660000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name  HB#) 2.594 0.841 0.841 weight 1.000 spectrum  3 peak  1508 ! spec=13CMETHYL, no=1508, id=1423, vol=5.660000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB#) 2.666 0.888 0.888 weight 1.000 spectrum  3 peak  1509 ! spec=13CMETHYL, no=1509, id=1424, vol=4.800000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name  HB#) 2.666 0.888 0.888 weight 1.000 spectrum  3 peak  1509 ! spec=13CMETHYL, no=1509, id=1424, vol=4.800000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HB#) 2.666 0.888 0.888 weight 1.000 spectrum  3 peak  1509 ! spec=13CMETHYL, no=1509, id=1424, vol=4.800000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name  HB#) 2.666 0.888 0.888 weight 1.000 spectrum  3 peak  1509 ! spec=13CMETHYL, no=1509, id=1424, vol=4.800000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD#) 2.838 2.838 3.162 weight 1.000 spectrum  3 peak  1510 ! spec=13CMETHYL, no=1510, id=1425, vol=3.300000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   20 and name  HD#) 2.838 2.838 3.162 weight 1.000 spectrum  3 peak  1510 ! spec=13CMETHYL, no=1510, id=1425, vol=3.300000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HD#) 2.838 2.838 3.162 weight 1.000 spectrum  3 peak  1510 ! spec=13CMETHYL, no=1510, id=1425, vol=3.300000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HD#) 2.838 2.838 3.162 weight 1.000 spectrum  3 peak  1510 ! spec=13CMETHYL, no=1510, id=1425, vol=3.300000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HG) 2.416 0.730 2.121 weight 1.000 spectrum  3 peak  1513 ! spec=13CMETHYL, no=1513, id=1428, vol=8.660000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   35 and name   HG) 2.416 0.730 2.121 weight 1.000 spectrum  3 peak  1513 ! spec=13CMETHYL, no=1513, id=1428, vol=8.660000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name   HG) 2.416 0.730 2.121 weight 1.000 spectrum  3 peak  1513 ! spec=13CMETHYL, no=1513, id=1428, vol=8.660000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name   HG) 2.416 0.730 2.121 weight 1.000 spectrum  3 peak  1513 ! spec=13CMETHYL, no=1513, id=1428, vol=8.660000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG#) 2.728 2.728 3.272 weight 1.000 spectrum  3 peak  1516 ! spec=13CMETHYL, no=1516, id=1429, vol=4.180000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   20 and name  HG#) 2.728 2.728 3.272 weight 1.000 spectrum  3 peak  1516 ! spec=13CMETHYL, no=1516, id=1429, vol=4.180000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HG#) 2.728 2.728 3.272 weight 1.000 spectrum  3 peak  1516 ! spec=13CMETHYL, no=1516, id=1429, vol=4.180000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HG#) 2.728 2.728 3.272 weight 1.000 spectrum  3 peak  1516 ! spec=13CMETHYL, no=1516, id=1429, vol=4.180000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak  1517 ! spec=13CMETHYL, no=1517, id=1430, vol=3.260000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   20 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak  1517 ! spec=13CMETHYL, no=1517, id=1430, vol=3.260000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   20 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak  1517 ! spec=13CMETHYL, no=1517, id=1430, vol=3.260000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   20 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  3 peak  1517 ! spec=13CMETHYL, no=1517, id=1430, vol=3.260000e+05
assign (segid "   A" and resid   17 and name HD1#) (segid "   D" and resid   20 and name   HN) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak  1521 ! spec=13CMETHYL, no=1521, id=1432, vol=1.820000e+05
assign (segid "   B" and resid   17 and name HD1#) (segid "   C" and resid   20 and name   HN) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak  1521 ! spec=13CMETHYL, no=1521, id=1432, vol=1.820000e+05
assign (segid "   C" and resid   17 and name HD1#) (segid "   B" and resid   20 and name   HN) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak  1521 ! spec=13CMETHYL, no=1521, id=1432, vol=1.820000e+05
assign (segid "   D" and resid   17 and name HD1#) (segid "   A" and resid   20 and name   HN) 3.134 1.227 1.227 weight 1.000 spectrum  3 peak  1521 ! spec=13CMETHYL, no=1521, id=1432, vol=1.820000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG#) 2.666 2.666 3.334 weight 1.000 spectrum  3 peak  1522 ! spec=13CMETHYL, no=1522, id=1433, vol=4.800000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   19 and name  HG#) 2.666 2.666 3.334 weight 1.000 spectrum  3 peak  1522 ! spec=13CMETHYL, no=1522, id=1433, vol=4.800000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   19 and name  HG#) 2.666 2.666 3.334 weight 1.000 spectrum  3 peak  1522 ! spec=13CMETHYL, no=1522, id=1433, vol=4.800000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   19 and name  HG#) 2.666 2.666 3.334 weight 1.000 spectrum  3 peak  1522 ! spec=13CMETHYL, no=1522, id=1433, vol=4.800000e+05
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG#) 3.222 1.298 1.298 weight 1.000 spectrum  3 peak  1523 ! spec=13CMETHYL, no=1523, id=1434, vol=1.540000e+05
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HG#) 3.222 1.298 1.298 weight 1.000 spectrum  3 peak  1523 ! spec=13CMETHYL, no=1523, id=1434, vol=1.540000e+05
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HG#) 3.222 1.298 1.298 weight 1.000 spectrum  3 peak  1523 ! spec=13CMETHYL, no=1523, id=1434, vol=1.540000e+05
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HG#) 3.222 1.298 1.298 weight 1.000 spectrum  3 peak  1523 ! spec=13CMETHYL, no=1523, id=1434, vol=1.540000e+05
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1525 ! spec=13CMETHYL, no=1525, id=1435, vol=1.890000e+05
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1525 ! spec=13CMETHYL, no=1525, id=1435, vol=1.890000e+05
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1525 ! spec=13CMETHYL, no=1525, id=1435, vol=1.890000e+05
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1525 ! spec=13CMETHYL, no=1525, id=1435, vol=1.890000e+05
assign (segid "   A" and resid   41 and name  HG#) (segid "   A" and resid   41 and name HE2#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1527 ! spec=13CMETHYL, no=1527, id=1436, vol=2.000000e+05
assign (segid "   B" and resid   41 and name  HG#) (segid "   B" and resid   41 and name HE2#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1527 ! spec=13CMETHYL, no=1527, id=1436, vol=2.000000e+05
assign (segid "   C" and resid   41 and name  HG#) (segid "   C" and resid   41 and name HE2#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1527 ! spec=13CMETHYL, no=1527, id=1436, vol=2.000000e+05
assign (segid "   D" and resid   41 and name  HG#) (segid "   D" and resid   41 and name HE2#) 3.085 1.189 1.189 weight 1.000 spectrum  3 peak  1527 ! spec=13CMETHYL, no=1527, id=1436, vol=2.000000e+05
assign (segid "   A" and resid   44 and name  HG#) (segid "   A" and resid   44 and name HE2#) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1529 ! spec=13CMETHYL, no=1529, id=1438, vol=1.850000e+05
assign (segid "   B" and resid   44 and name  HG#) (segid "   B" and resid   44 and name HE2#) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1529 ! spec=13CMETHYL, no=1529, id=1438, vol=1.850000e+05
assign (segid "   C" and resid   44 and name  HG#) (segid "   C" and resid   44 and name HE2#) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1529 ! spec=13CMETHYL, no=1529, id=1438, vol=1.850000e+05
assign (segid "   D" and resid   44 and name  HG#) (segid "   D" and resid   44 and name HE2#) 3.125 1.221 1.221 weight 1.000 spectrum  3 peak  1529 ! spec=13CMETHYL, no=1529, id=1438, vol=1.850000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB#) 2.916 1.063 1.063 weight 1.000 spectrum  3 peak  1531 ! spec=13CMETHYL, no=1531, id=1440, vol=2.800000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   35 and name  HB#) 2.916 1.063 1.063 weight 1.000 spectrum  3 peak  1531 ! spec=13CMETHYL, no=1531, id=1440, vol=2.800000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name  HB#) 2.916 1.063 1.063 weight 1.000 spectrum  3 peak  1531 ! spec=13CMETHYL, no=1531, id=1440, vol=2.800000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name  HB#) 2.916 1.063 1.063 weight 1.000 spectrum  3 peak  1531 ! spec=13CMETHYL, no=1531, id=1440, vol=2.800000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name  HB#) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1532 ! spec=13CMETHYL, no=1532, id=1441, vol=2.110000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   35 and name  HB#) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1532 ! spec=13CMETHYL, no=1532, id=1441, vol=2.110000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name  HB#) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1532 ! spec=13CMETHYL, no=1532, id=1441, vol=2.110000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name  HB#) 3.057 1.168 1.168 weight 1.000 spectrum  3 peak  1532 ! spec=13CMETHYL, no=1532, id=1441, vol=2.110000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HB) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1534 ! spec=13CMETHYL, no=1534, id=1443, vol=8.530000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name   HB) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1534 ! spec=13CMETHYL, no=1534, id=1443, vol=8.530000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name   HB) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1534 ! spec=13CMETHYL, no=1534, id=1443, vol=8.530000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   36 and name   HB) 2.422 0.733 0.733 weight 1.000 spectrum  3 peak  1534 ! spec=13CMETHYL, no=1534, id=1443, vol=8.530000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HG) 3.122 1.219 1.784 weight 1.000 spectrum  3 peak  1535 ! spec=13CMETHYL, no=1535, id=1444, vol=1.860000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   35 and name   HG) 3.122 1.219 1.784 weight 1.000 spectrum  3 peak  1535 ! spec=13CMETHYL, no=1535, id=1444, vol=1.860000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name   HG) 3.122 1.219 1.784 weight 1.000 spectrum  3 peak  1535 ! spec=13CMETHYL, no=1535, id=1444, vol=1.860000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name   HG) 3.122 1.219 1.784 weight 1.000 spectrum  3 peak  1535 ! spec=13CMETHYL, no=1535, id=1444, vol=1.860000e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG2#) 2.279 2.279 3.721 weight 1.000 spectrum  3 peak  1540 ! spec=13CMETHYL, no=1540, id=1445, vol=1.230000e+06
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    4 and name HG2#) 2.279 2.279 3.721 weight 1.000 spectrum  3 peak  1540 ! spec=13CMETHYL, no=1540, id=1445, vol=1.230000e+06
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name HG2#) 2.279 2.279 3.721 weight 1.000 spectrum  3 peak  1540 ! spec=13CMETHYL, no=1540, id=1445, vol=1.230000e+06
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    4 and name HG2#) 2.279 2.279 3.721 weight 1.000 spectrum  3 peak  1540 ! spec=13CMETHYL, no=1540, id=1445, vol=1.230000e+06
assign (segid "   A" and resid   47 and name  HG#) (segid "   A" and resid   47 and name HE2#) 2.706 0.915 0.915 weight 1.000 spectrum  3 peak  1542 ! spec=13CMETHYL, no=1542, id=1446, vol=4.390000e+05
assign (segid "   B" and resid   47 and name  HG#) (segid "   B" and resid   47 and name HE2#) 2.706 0.915 0.915 weight 1.000 spectrum  3 peak  1542 ! spec=13CMETHYL, no=1542, id=1446, vol=4.390000e+05
assign (segid "   C" and resid   47 and name  HG#) (segid "   C" and resid   47 and name HE2#) 2.706 0.915 0.915 weight 1.000 spectrum  3 peak  1542 ! spec=13CMETHYL, no=1542, id=1446, vol=4.390000e+05
assign (segid "   D" and resid   47 and name  HG#) (segid "   D" and resid   47 and name HE2#) 2.706 0.915 0.915 weight 1.000 spectrum  3 peak  1542 ! spec=13CMETHYL, no=1542, id=1446, vol=4.390000e+05
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HB#) 2.509 2.509 3.491 weight 1.000 spectrum  3 peak  1544 ! spec=13CMETHYL, no=1544, id=1447, vol=6.910000e+05
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HB#) 2.509 2.509 3.491 weight 1.000 spectrum  3 peak  1544 ! spec=13CMETHYL, no=1544, id=1447, vol=6.910000e+05
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HB#) 2.509 2.509 3.491 weight 1.000 spectrum  3 peak  1544 ! spec=13CMETHYL, no=1544, id=1447, vol=6.910000e+05
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HB#) 2.509 2.509 3.491 weight 1.000 spectrum  3 peak  1544 ! spec=13CMETHYL, no=1544, id=1447, vol=6.910000e+05
assign (segid "   A" and resid   12 and name   HE) (segid "   A" and resid   12 and name  HD#) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1553 ! spec=13CMETHYL, no=1553, id=1453, vol=9.720000e+04
assign (segid "   B" and resid   12 and name   HE) (segid "   B" and resid   12 and name  HD#) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1553 ! spec=13CMETHYL, no=1553, id=1453, vol=9.720000e+04
assign (segid "   C" and resid   12 and name   HE) (segid "   C" and resid   12 and name  HD#) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1553 ! spec=13CMETHYL, no=1553, id=1453, vol=9.720000e+04
assign (segid "   D" and resid   12 and name   HE) (segid "   D" and resid   12 and name  HD#) 3.479 1.513 1.513 weight 1.000 spectrum  3 peak  1553 ! spec=13CMETHYL, no=1553, id=1453, vol=9.720000e+04
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HB) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak  1554 ! spec=13CMETHYL, no=1554, id=1454, vol=1.500000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name   HB) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak  1554 ! spec=13CMETHYL, no=1554, id=1454, vol=1.500000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name   HB) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak  1554 ! spec=13CMETHYL, no=1554, id=1454, vol=1.500000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name   HB) 2.205 0.608 0.608 weight 1.000 spectrum  3 peak  1554 ! spec=13CMETHYL, no=1554, id=1454, vol=1.500000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG1#) 2.301 0.662 0.868 weight 1.000 spectrum  3 peak  1559 ! spec=13CMETHYL, no=1559, id=1458, vol=1.160000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG1#) 2.301 0.662 0.868 weight 1.000 spectrum  3 peak  1559 ! spec=13CMETHYL, no=1559, id=1458, vol=1.160000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG1#) 2.301 0.662 0.868 weight 1.000 spectrum  3 peak  1559 ! spec=13CMETHYL, no=1559, id=1458, vol=1.160000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG1#) 2.301 0.662 0.868 weight 1.000 spectrum  3 peak  1559 ! spec=13CMETHYL, no=1559, id=1458, vol=1.160000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name HG1#) 2.644 0.874 0.994 weight 1.000 spectrum  3 peak  1560 ! spec=13CMETHYL, no=1560, id=1459, vol=5.040000e+05
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name HG1#) 2.644 0.874 0.994 weight 1.000 spectrum  3 peak  1560 ! spec=13CMETHYL, no=1560, id=1459, vol=5.040000e+05
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name HG1#) 2.644 0.874 0.994 weight 1.000 spectrum  3 peak  1560 ! spec=13CMETHYL, no=1560, id=1459, vol=5.040000e+05
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name HG1#) 2.644 0.874 0.994 weight 1.000 spectrum  3 peak  1560 ! spec=13CMETHYL, no=1560, id=1459, vol=5.040000e+05
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.901 1.052 1.052 weight 1.000 spectrum  3 peak  1562 ! spec=13CMETHYL, no=1562, id=1461, vol=2.890000e+05
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.901 1.052 1.052 weight 1.000 spectrum  3 peak  1562 ! spec=13CMETHYL, no=1562, id=1461, vol=2.890000e+05
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.901 1.052 1.052 weight 1.000 spectrum  3 peak  1562 ! spec=13CMETHYL, no=1562, id=1461, vol=2.890000e+05
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.901 1.052 1.052 weight 1.000 spectrum  3 peak  1562 ! spec=13CMETHYL, no=1562, id=1461, vol=2.890000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name   HE) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1564 ! spec=13CMETHYL, no=1564, id=1463, vol=1.120000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name   HE) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1564 ! spec=13CMETHYL, no=1564, id=1463, vol=1.120000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name   HE) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1564 ! spec=13CMETHYL, no=1564, id=1463, vol=1.120000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name   HE) 3.398 1.443 1.443 weight 1.000 spectrum  3 peak  1564 ! spec=13CMETHYL, no=1564, id=1463, vol=1.120000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   12 and name   HE) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1565 ! spec=13CMETHYL, no=1565, id=1464, vol=1.200000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   12 and name   HE) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1565 ! spec=13CMETHYL, no=1565, id=1464, vol=1.200000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   12 and name   HE) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1565 ! spec=13CMETHYL, no=1565, id=1464, vol=1.200000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   12 and name   HE) 3.359 1.410 1.410 weight 1.000 spectrum  3 peak  1565 ! spec=13CMETHYL, no=1565, id=1464, vol=1.200000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB#) 2.970 1.103 1.103 weight 1.000 spectrum  3 peak  1570 ! spec=13CMETHYL, no=1570, id=1468, vol=2.510000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   21 and name  HB#) 2.970 1.103 1.103 weight 1.000 spectrum  3 peak  1570 ! spec=13CMETHYL, no=1570, id=1468, vol=2.510000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB#) 2.970 1.103 1.103 weight 1.000 spectrum  3 peak  1570 ! spec=13CMETHYL, no=1570, id=1468, vol=2.510000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB#) 2.970 1.103 1.103 weight 1.000 spectrum  3 peak  1570 ! spec=13CMETHYL, no=1570, id=1468, vol=2.510000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HB#) 2.617 0.856 0.856 weight 1.000 spectrum  3 peak  1571 ! spec=13CMETHYL, no=1571, id=1469, vol=5.370000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HB#) 2.617 0.856 0.856 weight 1.000 spectrum  3 peak  1571 ! spec=13CMETHYL, no=1571, id=1469, vol=5.370000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HB#) 2.617 0.856 0.856 weight 1.000 spectrum  3 peak  1571 ! spec=13CMETHYL, no=1571, id=1469, vol=5.370000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HB#) 2.617 0.856 0.856 weight 1.000 spectrum  3 peak  1571 ! spec=13CMETHYL, no=1571, id=1469, vol=5.370000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HD#) 3.092 1.195 1.712 weight 1.000 spectrum  3 peak  1574 ! spec=13CMETHYL, no=1574, id=1472, vol=1.970000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HD#) 3.092 1.195 1.712 weight 1.000 spectrum  3 peak  1574 ! spec=13CMETHYL, no=1574, id=1472, vol=1.970000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HD#) 3.092 1.195 1.712 weight 1.000 spectrum  3 peak  1574 ! spec=13CMETHYL, no=1574, id=1472, vol=1.970000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HD#) 3.092 1.195 1.712 weight 1.000 spectrum  3 peak  1574 ! spec=13CMETHYL, no=1574, id=1472, vol=1.970000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   20 and name  HG#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1577 ! spec=13CMETHYL, no=1577, id=1473, vol=1.630000e+05
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   20 and name  HG#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1577 ! spec=13CMETHYL, no=1577, id=1473, vol=1.630000e+05
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   20 and name  HG#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1577 ! spec=13CMETHYL, no=1577, id=1473, vol=1.630000e+05
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   20 and name  HG#) 3.192 3.192 2.808 weight 1.000 spectrum  3 peak  1577 ! spec=13CMETHYL, no=1577, id=1473, vol=1.630000e+05
assign (segid "   A" and resid   45 and name   HN) (segid "   A" and resid   44 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  3 peak  1586 ! spec=13CMETHYL, no=1586, id=1478, vol=6.180000e+05
assign (segid "   B" and resid   45 and name   HN) (segid "   B" and resid   44 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  3 peak  1586 ! spec=13CMETHYL, no=1586, id=1478, vol=6.180000e+05
assign (segid "   C" and resid   45 and name   HN) (segid "   C" and resid   44 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  3 peak  1586 ! spec=13CMETHYL, no=1586, id=1478, vol=6.180000e+05
assign (segid "   D" and resid   45 and name   HN) (segid "   D" and resid   44 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  3 peak  1586 ! spec=13CMETHYL, no=1586, id=1478, vol=6.180000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB#) 3.050 1.163 1.823 weight 1.000 spectrum  3 peak  1599 ! spec=13CMETHYL, no=1599, id=1487, vol=2.140000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name  HB#) 3.050 1.163 1.823 weight 1.000 spectrum  3 peak  1599 ! spec=13CMETHYL, no=1599, id=1487, vol=2.140000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB#) 3.050 1.163 1.823 weight 1.000 spectrum  3 peak  1599 ! spec=13CMETHYL, no=1599, id=1487, vol=2.140000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name  HB#) 3.050 1.163 1.823 weight 1.000 spectrum  3 peak  1599 ! spec=13CMETHYL, no=1599, id=1487, vol=2.140000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1600 ! spec=13CMETHYL, no=1600, id=1488, vol=1.100000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1600 ! spec=13CMETHYL, no=1600, id=1488, vol=1.100000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1600 ! spec=13CMETHYL, no=1600, id=1488, vol=1.100000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.408 1.452 1.452 weight 1.000 spectrum  3 peak  1600 ! spec=13CMETHYL, no=1600, id=1488, vol=1.100000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HG#) 3.062 1.172 1.172 weight 1.000 spectrum  3 peak  1601 ! spec=13CMETHYL, no=1601, id=1489, vol=2.090000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HG#) 3.062 1.172 1.172 weight 1.000 spectrum  3 peak  1601 ! spec=13CMETHYL, no=1601, id=1489, vol=2.090000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HG#) 3.062 1.172 1.172 weight 1.000 spectrum  3 peak  1601 ! spec=13CMETHYL, no=1601, id=1489, vol=2.090000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HG#) 3.062 1.172 1.172 weight 1.000 spectrum  3 peak  1601 ! spec=13CMETHYL, no=1601, id=1489, vol=2.090000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1606 ! spec=13CMETHYL, no=1606, id=1494, vol=3.350000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1606 ! spec=13CMETHYL, no=1606, id=1494, vol=3.350000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1606 ! spec=13CMETHYL, no=1606, id=1494, vol=3.350000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.831 1.002 1.002 weight 1.000 spectrum  3 peak  1606 ! spec=13CMETHYL, no=1606, id=1494, vol=3.350000e+05
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.632 0.866 0.866 weight 1.000 spectrum  3 peak  1607 ! spec=13CMETHYL, no=1607, id=1495, vol=5.180000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.632 0.866 0.866 weight 1.000 spectrum  3 peak  1607 ! spec=13CMETHYL, no=1607, id=1495, vol=5.180000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.632 0.866 0.866 weight 1.000 spectrum  3 peak  1607 ! spec=13CMETHYL, no=1607, id=1495, vol=5.180000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.632 0.866 0.866 weight 1.000 spectrum  3 peak  1607 ! spec=13CMETHYL, no=1607, id=1495, vol=5.180000e+05
assign (segid "   A" and resid   20 and name  HD#) (segid "   A" and resid   24 and name   HN) 3.378 1.426 1.903 weight 1.000 spectrum  3 peak  1608 ! spec=13CMETHYL, no=1608, id=1496, vol=1.160000e+05
assign (segid "   B" and resid   20 and name  HD#) (segid "   B" and resid   24 and name   HN) 3.378 1.426 1.903 weight 1.000 spectrum  3 peak  1608 ! spec=13CMETHYL, no=1608, id=1496, vol=1.160000e+05
assign (segid "   C" and resid   20 and name  HD#) (segid "   C" and resid   24 and name   HN) 3.378 1.426 1.903 weight 1.000 spectrum  3 peak  1608 ! spec=13CMETHYL, no=1608, id=1496, vol=1.160000e+05
assign (segid "   D" and resid   20 and name  HD#) (segid "   D" and resid   24 and name   HN) 3.378 1.426 1.903 weight 1.000 spectrum  3 peak  1608 ! spec=13CMETHYL, no=1608, id=1496, vol=1.160000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB#) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak  1609 ! spec=13CMETHYL, no=1609, id=1497, vol=7.820000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name  HB#) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak  1609 ! spec=13CMETHYL, no=1609, id=1497, vol=7.820000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name  HB#) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak  1609 ! spec=13CMETHYL, no=1609, id=1497, vol=7.820000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HB#) 2.458 0.755 0.755 weight 1.000 spectrum  3 peak  1609 ! spec=13CMETHYL, no=1609, id=1497, vol=7.820000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name  HB#) 2.466 2.466 3.534 weight 1.000 spectrum  3 peak  1610 ! spec=13CMETHYL, no=1610, id=1498, vol=7.660000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   13 and name  HB#) 2.466 2.466 3.534 weight 1.000 spectrum  3 peak  1610 ! spec=13CMETHYL, no=1610, id=1498, vol=7.660000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   13 and name  HB#) 2.466 2.466 3.534 weight 1.000 spectrum  3 peak  1610 ! spec=13CMETHYL, no=1610, id=1498, vol=7.660000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   13 and name  HB#) 2.466 2.466 3.534 weight 1.000 spectrum  3 peak  1610 ! spec=13CMETHYL, no=1610, id=1498, vol=7.660000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   D" and resid   48 and name   HN) 3.007 1.130 1.130 weight 1.000 spectrum  3 peak  1623 ! spec=13CMETHYL, no=1623, id=1504, vol=2.330000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   C" and resid   48 and name   HN) 3.007 1.130 1.130 weight 1.000 spectrum  3 peak  1623 ! spec=13CMETHYL, no=1623, id=1504, vol=2.330000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   B" and resid   48 and name   HN) 3.007 1.130 1.130 weight 1.000 spectrum  3 peak  1623 ! spec=13CMETHYL, no=1623, id=1504, vol=2.330000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   A" and resid   48 and name   HN) 3.007 1.130 1.130 weight 1.000 spectrum  3 peak  1623 ! spec=13CMETHYL, no=1623, id=1504, vol=2.330000e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HB#) 2.613 2.613 3.387 weight 1.000 spectrum  3 peak  1624 ! spec=13CMETHYL, no=1624, id=1505, vol=5.410000e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name  HB#) 2.613 2.613 3.387 weight 1.000 spectrum  3 peak  1624 ! spec=13CMETHYL, no=1624, id=1505, vol=5.410000e+05
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HB#) 2.613 2.613 3.387 weight 1.000 spectrum  3 peak  1624 ! spec=13CMETHYL, no=1624, id=1505, vol=5.410000e+05
assign (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   48 and name  HB#) 2.613 2.613 3.387 weight 1.000 spectrum  3 peak  1624 ! spec=13CMETHYL, no=1624, id=1505, vol=5.410000e+05
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name  HG#) 2.515 0.791 0.791 weight 1.000 spectrum  3 peak  1625 ! spec=13CMETHYL, no=1625, id=1506, vol=6.810000e+05
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name  HG#) 2.515 0.791 0.791 weight 1.000 spectrum  3 peak  1625 ! spec=13CMETHYL, no=1625, id=1506, vol=6.810000e+05
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name  HG#) 2.515 0.791 0.791 weight 1.000 spectrum  3 peak  1625 ! spec=13CMETHYL, no=1625, id=1506, vol=6.810000e+05
assign (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   48 and name  HG#) 2.515 0.791 0.791 weight 1.000 spectrum  3 peak  1625 ! spec=13CMETHYL, no=1625, id=1506, vol=6.810000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB#) 2.908 1.057 1.057 weight 1.000 spectrum  3 peak  1626 ! spec=13CMETHYL, no=1626, id=1507, vol=2.850000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HB#) 2.908 1.057 1.057 weight 1.000 spectrum  3 peak  1626 ! spec=13CMETHYL, no=1626, id=1507, vol=2.850000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name  HB#) 2.908 1.057 1.057 weight 1.000 spectrum  3 peak  1626 ! spec=13CMETHYL, no=1626, id=1507, vol=2.850000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name  HB#) 2.908 1.057 1.057 weight 1.000 spectrum  3 peak  1626 ! spec=13CMETHYL, no=1626, id=1507, vol=2.850000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name  HB#) 2.896 1.048 1.048 weight 1.000 spectrum  3 peak  1627 ! spec=13CMETHYL, no=1627, id=1508, vol=2.920000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name  HB#) 2.896 1.048 1.048 weight 1.000 spectrum  3 peak  1627 ! spec=13CMETHYL, no=1627, id=1508, vol=2.920000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name  HB#) 2.896 1.048 1.048 weight 1.000 spectrum  3 peak  1627 ! spec=13CMETHYL, no=1627, id=1508, vol=2.920000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name  HB#) 2.896 1.048 1.048 weight 1.000 spectrum  3 peak  1627 ! spec=13CMETHYL, no=1627, id=1508, vol=2.920000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HB) 3.591 1.612 1.612 weight 1.000 spectrum  3 peak  1628 ! spec=13CMETHYL, no=1628, id=1509, vol=8.030000e+04
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   36 and name   HB) 3.591 1.612 1.612 weight 1.000 spectrum  3 peak  1628 ! spec=13CMETHYL, no=1628, id=1509, vol=8.030000e+04
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HB) 3.591 1.612 1.612 weight 1.000 spectrum  3 peak  1628 ! spec=13CMETHYL, no=1628, id=1509, vol=8.030000e+04
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   36 and name   HB) 3.591 1.612 1.612 weight 1.000 spectrum  3 peak  1628 ! spec=13CMETHYL, no=1628, id=1509, vol=8.030000e+04
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB#) 2.849 1.015 1.152 weight 1.000 spectrum  3 peak  1629 ! spec=13CMETHYL, no=1629, id=1510, vol=3.220000e+05
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name  HB#) 2.849 1.015 1.152 weight 1.000 spectrum  3 peak  1629 ! spec=13CMETHYL, no=1629, id=1510, vol=3.220000e+05
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name  HB#) 2.849 1.015 1.152 weight 1.000 spectrum  3 peak  1629 ! spec=13CMETHYL, no=1629, id=1510, vol=3.220000e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name  HB#) 2.849 1.015 1.152 weight 1.000 spectrum  3 peak  1629 ! spec=13CMETHYL, no=1629, id=1510, vol=3.220000e+05
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   46 and name  HB#) 2.940 1.080 1.080 weight 1.000 spectrum  3 peak  1630 ! spec=13CMETHYL, no=1630, id=1511, vol=2.670000e+05
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   46 and name  HB#) 2.940 1.080 1.080 weight 1.000 spectrum  3 peak  1630 ! spec=13CMETHYL, no=1630, id=1511, vol=2.670000e+05
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   46 and name  HB#) 2.940 1.080 1.080 weight 1.000 spectrum  3 peak  1630 ! spec=13CMETHYL, no=1630, id=1511, vol=2.670000e+05
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   46 and name  HB#) 2.940 1.080 1.080 weight 1.000 spectrum  3 peak  1630 ! spec=13CMETHYL, no=1630, id=1511, vol=2.670000e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   30 and name  HB#) 2.740 0.939 0.939 weight 1.000 spectrum  3 peak  1634 ! spec=13CMETHYL, no=1634, id=1515, vol=4.070000e+05
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   30 and name  HB#) 2.740 0.939 0.939 weight 1.000 spectrum  3 peak  1634 ! spec=13CMETHYL, no=1634, id=1515, vol=4.070000e+05
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   30 and name  HB#) 2.740 0.939 0.939 weight 1.000 spectrum  3 peak  1634 ! spec=13CMETHYL, no=1634, id=1515, vol=4.070000e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   30 and name  HB#) 2.740 0.939 0.939 weight 1.000 spectrum  3 peak  1634 ! spec=13CMETHYL, no=1634, id=1515, vol=4.070000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name  HB#) 2.755 0.949 0.949 weight 1.000 spectrum  3 peak  1636 ! spec=13CMETHYL, no=1636, id=1516, vol=3.940000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   18 and name  HB#) 2.755 0.949 0.949 weight 1.000 spectrum  3 peak  1636 ! spec=13CMETHYL, no=1636, id=1516, vol=3.940000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   18 and name  HB#) 2.755 0.949 0.949 weight 1.000 spectrum  3 peak  1636 ! spec=13CMETHYL, no=1636, id=1516, vol=3.940000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   18 and name  HB#) 2.755 0.949 0.949 weight 1.000 spectrum  3 peak  1636 ! spec=13CMETHYL, no=1636, id=1516, vol=3.940000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HB) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak  1638 ! spec=13CMETHYL, no=1638, id=1518, vol=8.950000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name   HB) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak  1638 ! spec=13CMETHYL, no=1638, id=1518, vol=8.950000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HB) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak  1638 ! spec=13CMETHYL, no=1638, id=1518, vol=8.950000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HB) 2.403 0.722 0.722 weight 1.000 spectrum  3 peak  1638 ! spec=13CMETHYL, no=1638, id=1518, vol=8.950000e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name  HG#) 3.310 1.370 1.370 weight 1.000 spectrum  3 peak  1639 ! spec=13CMETHYL, no=1639, id=1519, vol=1.310000e+05
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name  HG#) 3.310 1.370 1.370 weight 1.000 spectrum  3 peak  1639 ! spec=13CMETHYL, no=1639, id=1519, vol=1.310000e+05
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name  HG#) 3.310 1.370 1.370 weight 1.000 spectrum  3 peak  1639 ! spec=13CMETHYL, no=1639, id=1519, vol=1.310000e+05
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name  HG#) 3.310 1.370 1.370 weight 1.000 spectrum  3 peak  1639 ! spec=13CMETHYL, no=1639, id=1519, vol=1.310000e+05
assign (segid "   A" and resid   29 and name  HG#) (segid "   A" and resid   30 and name   HN) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1640 ! spec=13CMETHYL, no=1640, id=1520, vol=1.240000e+05
assign (segid "   B" and resid   29 and name  HG#) (segid "   B" and resid   30 and name   HN) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1640 ! spec=13CMETHYL, no=1640, id=1520, vol=1.240000e+05
assign (segid "   C" and resid   29 and name  HG#) (segid "   C" and resid   30 and name   HN) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1640 ! spec=13CMETHYL, no=1640, id=1520, vol=1.240000e+05
assign (segid "   D" and resid   29 and name  HG#) (segid "   D" and resid   30 and name   HN) 3.341 1.395 1.395 weight 1.000 spectrum  3 peak  1640 ! spec=13CMETHYL, no=1640, id=1520, vol=1.240000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name HG2#) 2.238 2.238 3.762 weight 1.000 spectrum  3 peak  1660 ! spec=13CMETHYL, no=1660, id=1526, vol=1.370000e+06
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name HG2#) 2.238 2.238 3.762 weight 1.000 spectrum  3 peak  1660 ! spec=13CMETHYL, no=1660, id=1526, vol=1.370000e+06
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name HG2#) 2.238 2.238 3.762 weight 1.000 spectrum  3 peak  1660 ! spec=13CMETHYL, no=1660, id=1526, vol=1.370000e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name HG2#) 2.238 2.238 3.762 weight 1.000 spectrum  3 peak  1660 ! spec=13CMETHYL, no=1660, id=1526, vol=1.370000e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HG#) 2.972 1.104 1.104 weight 1.000 spectrum  3 peak  1662 ! spec=13CMETHYL, no=1662, id=1528, vol=2.500000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HG#) 2.972 1.104 1.104 weight 1.000 spectrum  3 peak  1662 ! spec=13CMETHYL, no=1662, id=1528, vol=2.500000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HG#) 2.972 1.104 1.104 weight 1.000 spectrum  3 peak  1662 ! spec=13CMETHYL, no=1662, id=1528, vol=2.500000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HG#) 2.972 1.104 1.104 weight 1.000 spectrum  3 peak  1662 ! spec=13CMETHYL, no=1662, id=1528, vol=2.500000e+05
assign (segid "   A" and resid   23 and name  HG#) (segid "   A" and resid   23 and name   HN) 2.922 2.922 3.078 weight 1.000 spectrum  3 peak  1663 ! spec=13CMETHYL, no=1663, id=1529, vol=2.770000e+05
assign (segid "   B" and resid   23 and name  HG#) (segid "   B" and resid   23 and name   HN) 2.922 2.922 3.078 weight 1.000 spectrum  3 peak  1663 ! spec=13CMETHYL, no=1663, id=1529, vol=2.770000e+05
assign (segid "   C" and resid   23 and name  HG#) (segid "   C" and resid   23 and name   HN) 2.922 2.922 3.078 weight 1.000 spectrum  3 peak  1663 ! spec=13CMETHYL, no=1663, id=1529, vol=2.770000e+05
assign (segid "   D" and resid   23 and name  HG#) (segid "   D" and resid   23 and name   HN) 2.922 2.922 3.078 weight 1.000 spectrum  3 peak  1663 ! spec=13CMETHYL, no=1663, id=1529, vol=2.770000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HB#) 2.922 1.067 1.067 weight 1.000 spectrum  3 peak  1664 ! spec=13CMETHYL, no=1664, id=1530, vol=2.770000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   22 and name  HB#) 2.922 1.067 1.067 weight 1.000 spectrum  3 peak  1664 ! spec=13CMETHYL, no=1664, id=1530, vol=2.770000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name  HB#) 2.922 1.067 1.067 weight 1.000 spectrum  3 peak  1664 ! spec=13CMETHYL, no=1664, id=1530, vol=2.770000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name  HB#) 2.922 1.067 1.067 weight 1.000 spectrum  3 peak  1664 ! spec=13CMETHYL, no=1664, id=1530, vol=2.770000e+05
assign (segid "   A" and resid   22 and name  HB#) (segid "   A" and resid   23 and name   HN) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1665 ! spec=13CMETHYL, no=1665, id=1531, vol=1.880000e+05
assign (segid "   B" and resid   22 and name  HB#) (segid "   B" and resid   23 and name   HN) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1665 ! spec=13CMETHYL, no=1665, id=1531, vol=1.880000e+05
assign (segid "   C" and resid   22 and name  HB#) (segid "   C" and resid   23 and name   HN) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1665 ! spec=13CMETHYL, no=1665, id=1531, vol=1.880000e+05
assign (segid "   D" and resid   22 and name  HB#) (segid "   D" and resid   23 and name   HN) 3.117 1.214 1.214 weight 1.000 spectrum  3 peak  1665 ! spec=13CMETHYL, no=1665, id=1531, vol=1.880000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   38 and name   HN) 3.185 3.185 2.815 weight 1.000 spectrum  3 peak  1668 ! spec=13CMETHYL, no=1668, id=1534, vol=1.650000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   38 and name   HN) 3.185 3.185 2.815 weight 1.000 spectrum  3 peak  1668 ! spec=13CMETHYL, no=1668, id=1534, vol=1.650000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   38 and name   HN) 3.185 3.185 2.815 weight 1.000 spectrum  3 peak  1668 ! spec=13CMETHYL, no=1668, id=1534, vol=1.650000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   38 and name   HN) 3.185 3.185 2.815 weight 1.000 spectrum  3 peak  1668 ! spec=13CMETHYL, no=1668, id=1534, vol=1.650000e+05
assign (segid "   A" and resid   22 and name  HG#) (segid "   A" and resid   23 and name   HN) 3.270 1.336 1.336 weight 1.000 spectrum  3 peak  1670 ! spec=13CMETHYL, no=1670, id=1535, vol=1.410000e+05
assign (segid "   B" and resid   22 and name  HG#) (segid "   B" and resid   23 and name   HN) 3.270 1.336 1.336 weight 1.000 spectrum  3 peak  1670 ! spec=13CMETHYL, no=1670, id=1535, vol=1.410000e+05
assign (segid "   C" and resid   22 and name  HG#) (segid "   C" and resid   23 and name   HN) 3.270 1.336 1.336 weight 1.000 spectrum  3 peak  1670 ! spec=13CMETHYL, no=1670, id=1535, vol=1.410000e+05
assign (segid "   D" and resid   22 and name  HG#) (segid "   D" and resid   23 and name   HN) 3.270 1.336 1.336 weight 1.000 spectrum  3 peak  1670 ! spec=13CMETHYL, no=1670, id=1535, vol=1.410000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HG#) 3.131 1.225 1.225 weight 1.000 spectrum  3 peak  1671 ! spec=13CMETHYL, no=1671, id=1536, vol=1.830000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   22 and name  HG#) 3.131 1.225 1.225 weight 1.000 spectrum  3 peak  1671 ! spec=13CMETHYL, no=1671, id=1536, vol=1.830000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name  HG#) 3.131 1.225 1.225 weight 1.000 spectrum  3 peak  1671 ! spec=13CMETHYL, no=1671, id=1536, vol=1.830000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name  HG#) 3.131 1.225 1.225 weight 1.000 spectrum  3 peak  1671 ! spec=13CMETHYL, no=1671, id=1536, vol=1.830000e+05
assign (segid "   A" and resid   33 and name  HG#) (segid "   A" and resid   33 and name HE2#) 2.431 0.739 0.739 weight 1.000 spectrum  3 peak  1675 ! spec=13CMETHYL, no=1675, id=1537, vol=8.350000e+05
assign (segid "   B" and resid   33 and name  HG#) (segid "   B" and resid   33 and name HE2#) 2.431 0.739 0.739 weight 1.000 spectrum  3 peak  1675 ! spec=13CMETHYL, no=1675, id=1537, vol=8.350000e+05
assign (segid "   C" and resid   33 and name  HG#) (segid "   C" and resid   33 and name HE2#) 2.431 0.739 0.739 weight 1.000 spectrum  3 peak  1675 ! spec=13CMETHYL, no=1675, id=1537, vol=8.350000e+05
assign (segid "   D" and resid   33 and name  HG#) (segid "   D" and resid   33 and name HE2#) 2.431 0.739 0.739 weight 1.000 spectrum  3 peak  1675 ! spec=13CMETHYL, no=1675, id=1537, vol=8.350000e+05
assign (segid "   A" and resid   36 and name   HB) (segid "   A" and resid   39 and name   HN) 3.198 3.198 2.802 weight 1.000 spectrum  3 peak  1676 ! spec=13CMETHYL, no=1676, id=1538, vol=1.610000e+05
assign (segid "   B" and resid   36 and name   HB) (segid "   B" and resid   39 and name   HN) 3.198 3.198 2.802 weight 1.000 spectrum  3 peak  1676 ! spec=13CMETHYL, no=1676, id=1538, vol=1.610000e+05
assign (segid "   C" and resid   36 and name   HB) (segid "   C" and resid   39 and name   HN) 3.198 3.198 2.802 weight 1.000 spectrum  3 peak  1676 ! spec=13CMETHYL, no=1676, id=1538, vol=1.610000e+05
assign (segid "   D" and resid   36 and name   HB) (segid "   D" and resid   39 and name   HN) 3.198 3.198 2.802 weight 1.000 spectrum  3 peak  1676 ! spec=13CMETHYL, no=1676, id=1538, vol=1.610000e+05
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name HD2#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1680 ! spec=13CMETHYL, no=1680, id=1541, vol=1.290000e+05
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name HD2#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1680 ! spec=13CMETHYL, no=1680, id=1541, vol=1.290000e+05
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name HD2#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1680 ! spec=13CMETHYL, no=1680, id=1541, vol=1.290000e+05
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name HD2#) 3.319 1.377 1.377 weight 1.000 spectrum  3 peak  1680 ! spec=13CMETHYL, no=1680, id=1541, vol=1.290000e+05
assign (segid "   A" and resid   14 and name  HB#) (segid "   A" and resid   14 and name HD2#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1681 ! spec=13CMETHYL, no=1681, id=1542, vol=2.290000e+05
assign (segid "   B" and resid   14 and name  HB#) (segid "   B" and resid   14 and name HD2#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1681 ! spec=13CMETHYL, no=1681, id=1542, vol=2.290000e+05
assign (segid "   C" and resid   14 and name  HB#) (segid "   C" and resid   14 and name HD2#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1681 ! spec=13CMETHYL, no=1681, id=1542, vol=2.290000e+05
assign (segid "   D" and resid   14 and name  HB#) (segid "   D" and resid   14 and name HD2#) 3.016 1.137 1.137 weight 1.000 spectrum  3 peak  1681 ! spec=13CMETHYL, no=1681, id=1542, vol=2.290000e+05
assign (segid "   A" and resid   16 and name  HG#) (segid "   A" and resid   15 and name   HN) 3.345 3.345 2.655 weight 1.000 spectrum  3 peak  1689 ! spec=13CMETHYL, no=1689, id=1545, vol=1.230000e+05
assign (segid "   B" and resid   16 and name  HG#) (segid "   B" and resid   15 and name   HN) 3.345 3.345 2.655 weight 1.000 spectrum  3 peak  1689 ! spec=13CMETHYL, no=1689, id=1545, vol=1.230000e+05
assign (segid "   C" and resid   16 and name  HG#) (segid "   C" and resid   15 and name   HN) 3.345 3.345 2.655 weight 1.000 spectrum  3 peak  1689 ! spec=13CMETHYL, no=1689, id=1545, vol=1.230000e+05
assign (segid "   D" and resid   16 and name  HG#) (segid "   D" and resid   15 and name   HN) 3.345 3.345 2.655 weight 1.000 spectrum  3 peak  1689 ! spec=13CMETHYL, no=1689, id=1545, vol=1.230000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HG#) 2.766 0.956 1.204 weight 1.000 spectrum  3 peak  1691 ! spec=13CMETHYL, no=1691, id=1547, vol=3.850000e+05
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   41 and name  HG#) 2.766 0.956 1.204 weight 1.000 spectrum  3 peak  1691 ! spec=13CMETHYL, no=1691, id=1547, vol=3.850000e+05
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name  HG#) 2.766 0.956 1.204 weight 1.000 spectrum  3 peak  1691 ! spec=13CMETHYL, no=1691, id=1547, vol=3.850000e+05
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   41 and name  HG#) 2.766 0.956 1.204 weight 1.000 spectrum  3 peak  1691 ! spec=13CMETHYL, no=1691, id=1547, vol=3.850000e+05
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   15 and name   HN) 3.341 3.341 2.659 weight 1.000 spectrum  3 peak  1694 ! spec=13CMETHYL, no=1694, id=1550, vol=1.240000e+05
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   15 and name   HN) 3.341 3.341 2.659 weight 1.000 spectrum  3 peak  1694 ! spec=13CMETHYL, no=1694, id=1550, vol=1.240000e+05
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   15 and name   HN) 3.341 3.341 2.659 weight 1.000 spectrum  3 peak  1694 ! spec=13CMETHYL, no=1694, id=1550, vol=1.240000e+05
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   15 and name   HN) 3.341 3.341 2.659 weight 1.000 spectrum  3 peak  1694 ! spec=13CMETHYL, no=1694, id=1550, vol=1.240000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name  HB#) 2.044 0.522 0.522 weight 1.000 spectrum  3 peak  1695 ! spec=13CMETHYL, no=1695, id=1551, vol=2.360000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   41 and name  HB#) 2.044 0.522 0.522 weight 1.000 spectrum  3 peak  1695 ! spec=13CMETHYL, no=1695, id=1551, vol=2.360000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name  HB#) 2.044 0.522 0.522 weight 1.000 spectrum  3 peak  1695 ! spec=13CMETHYL, no=1695, id=1551, vol=2.360000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   41 and name  HB#) 2.044 0.522 0.522 weight 1.000 spectrum  3 peak  1695 ! spec=13CMETHYL, no=1695, id=1551, vol=2.360000e+06
assign (segid "   A" and resid   40 and name   HE) (segid "   A" and resid   40 and name  HD#) 3.251 1.321 1.321 weight 1.000 spectrum  3 peak  1697 ! spec=13CMETHYL, no=1697, id=1552, vol=1.460000e+05
assign (segid "   B" and resid   40 and name   HE) (segid "   B" and resid   40 and name  HD#) 3.251 1.321 1.321 weight 1.000 spectrum  3 peak  1697 ! spec=13CMETHYL, no=1697, id=1552, vol=1.460000e+05
assign (segid "   C" and resid   40 and name   HE) (segid "   C" and resid   40 and name  HD#) 3.251 1.321 1.321 weight 1.000 spectrum  3 peak  1697 ! spec=13CMETHYL, no=1697, id=1552, vol=1.460000e+05
assign (segid "   D" and resid   40 and name   HE) (segid "   D" and resid   40 and name  HD#) 3.251 1.321 1.321 weight 1.000 spectrum  3 peak  1697 ! spec=13CMETHYL, no=1697, id=1552, vol=1.460000e+05
assign (segid "   A" and resid   40 and name   HE) (segid "   A" and resid   40 and name  HG#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1700 ! spec=13CMETHYL, no=1700, id=1555, vol=4.320000e+05
assign (segid "   B" and resid   40 and name   HE) (segid "   B" and resid   40 and name  HG#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1700 ! spec=13CMETHYL, no=1700, id=1555, vol=4.320000e+05
assign (segid "   C" and resid   40 and name   HE) (segid "   C" and resid   40 and name  HG#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1700 ! spec=13CMETHYL, no=1700, id=1555, vol=4.320000e+05
assign (segid "   D" and resid   40 and name   HE) (segid "   D" and resid   40 and name  HG#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1700 ! spec=13CMETHYL, no=1700, id=1555, vol=4.320000e+05
assign (segid "   A" and resid    1 and name  HB#) (segid "   A" and resid    2 and name   HN) 3.176 1.261 1.261 weight 1.000 spectrum  3 peak  1704 ! spec=13CMETHYL, no=1704, id=1558, vol=1.680000e+05
assign (segid "   B" and resid    1 and name  HB#) (segid "   B" and resid    2 and name   HN) 3.176 1.261 1.261 weight 1.000 spectrum  3 peak  1704 ! spec=13CMETHYL, no=1704, id=1558, vol=1.680000e+05
assign (segid "   C" and resid    1 and name  HB#) (segid "   C" and resid    2 and name   HN) 3.176 1.261 1.261 weight 1.000 spectrum  3 peak  1704 ! spec=13CMETHYL, no=1704, id=1558, vol=1.680000e+05
assign (segid "   D" and resid    1 and name  HB#) (segid "   D" and resid    2 and name   HN) 3.176 1.261 1.261 weight 1.000 spectrum  3 peak  1704 ! spec=13CMETHYL, no=1704, id=1558, vol=1.680000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  3 peak  1713 ! spec=13CMETHYL, no=1713, id=1566, vol=1.930000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  3 peak  1713 ! spec=13CMETHYL, no=1713, id=1566, vol=1.930000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  3 peak  1713 ! spec=13CMETHYL, no=1713, id=1566, vol=1.930000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HG#) 3.103 1.204 1.204 weight 1.000 spectrum  3 peak  1713 ! spec=13CMETHYL, no=1713, id=1566, vol=1.930000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   26 and name  HB#) 2.885 1.040 1.040 weight 1.000 spectrum  3 peak  1715 ! spec=13CMETHYL, no=1715, id=1568, vol=2.990000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   26 and name  HB#) 2.885 1.040 1.040 weight 1.000 spectrum  3 peak  1715 ! spec=13CMETHYL, no=1715, id=1568, vol=2.990000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   26 and name  HB#) 2.885 1.040 1.040 weight 1.000 spectrum  3 peak  1715 ! spec=13CMETHYL, no=1715, id=1568, vol=2.990000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   26 and name  HB#) 2.885 1.040 1.040 weight 1.000 spectrum  3 peak  1715 ! spec=13CMETHYL, no=1715, id=1568, vol=2.990000e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name   HG) 2.516 0.791 0.791 weight 1.000 spectrum  3 peak  1716 ! spec=13CMETHYL, no=1716, id=1569, vol=6.800000e+05
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name   HG) 2.516 0.791 0.791 weight 1.000 spectrum  3 peak  1716 ! spec=13CMETHYL, no=1716, id=1569, vol=6.800000e+05
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name   HG) 2.516 0.791 0.791 weight 1.000 spectrum  3 peak  1716 ! spec=13CMETHYL, no=1716, id=1569, vol=6.800000e+05
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name   HG) 2.516 0.791 0.791 weight 1.000 spectrum  3 peak  1716 ! spec=13CMETHYL, no=1716, id=1569, vol=6.800000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1726 ! spec=13CMETHYL, no=1726, id=1573, vol=1.190000e+05
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   17 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1726 ! spec=13CMETHYL, no=1726, id=1573, vol=1.190000e+05
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   17 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1726 ! spec=13CMETHYL, no=1726, id=1573, vol=1.190000e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   17 and name   HB) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1726 ! spec=13CMETHYL, no=1726, id=1573, vol=1.190000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG#) 2.610 2.610 3.390 weight 1.000 spectrum  3 peak  1727 ! spec=13CMETHYL, no=1727, id=1574, vol=5.450000e+05
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   16 and name  HG#) 2.610 2.610 3.390 weight 1.000 spectrum  3 peak  1727 ! spec=13CMETHYL, no=1727, id=1574, vol=5.450000e+05
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HG#) 2.610 2.610 3.390 weight 1.000 spectrum  3 peak  1727 ! spec=13CMETHYL, no=1727, id=1574, vol=5.450000e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HG#) 2.610 2.610 3.390 weight 1.000 spectrum  3 peak  1727 ! spec=13CMETHYL, no=1727, id=1574, vol=5.450000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HG#) 2.662 0.886 0.886 weight 1.000 spectrum  3 peak  1728 ! spec=13CMETHYL, no=1728, id=1575, vol=4.840000e+05
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   16 and name  HG#) 2.662 0.886 0.886 weight 1.000 spectrum  3 peak  1728 ! spec=13CMETHYL, no=1728, id=1575, vol=4.840000e+05
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HG#) 2.662 0.886 0.886 weight 1.000 spectrum  3 peak  1728 ! spec=13CMETHYL, no=1728, id=1575, vol=4.840000e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HG#) 2.662 0.886 0.886 weight 1.000 spectrum  3 peak  1728 ! spec=13CMETHYL, no=1728, id=1575, vol=4.840000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.570 0.826 0.826 weight 1.000 spectrum  3 peak  1731 ! spec=13CMETHYL, no=1731, id=1578, vol=5.980000e+05
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.570 0.826 0.826 weight 1.000 spectrum  3 peak  1731 ! spec=13CMETHYL, no=1731, id=1578, vol=5.980000e+05
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.570 0.826 0.826 weight 1.000 spectrum  3 peak  1731 ! spec=13CMETHYL, no=1731, id=1578, vol=5.980000e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.570 0.826 0.826 weight 1.000 spectrum  3 peak  1731 ! spec=13CMETHYL, no=1731, id=1578, vol=5.980000e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name  HB#) 2.658 0.883 0.883 weight 1.000 spectrum  3 peak  1732 ! spec=13CMETHYL, no=1732, id=1579, vol=4.890000e+05
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   16 and name  HB#) 2.658 0.883 0.883 weight 1.000 spectrum  3 peak  1732 ! spec=13CMETHYL, no=1732, id=1579, vol=4.890000e+05
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name  HB#) 2.658 0.883 0.883 weight 1.000 spectrum  3 peak  1732 ! spec=13CMETHYL, no=1732, id=1579, vol=4.890000e+05
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name  HB#) 2.658 0.883 0.883 weight 1.000 spectrum  3 peak  1732 ! spec=13CMETHYL, no=1732, id=1579, vol=4.890000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   16 and name   HN) 3.451 3.451 2.549 weight 1.000 spectrum  3 peak  1733 ! spec=13CMETHYL, no=1733, id=1580, vol=1.020000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   16 and name   HN) 3.451 3.451 2.549 weight 1.000 spectrum  3 peak  1733 ! spec=13CMETHYL, no=1733, id=1580, vol=1.020000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   16 and name   HN) 3.451 3.451 2.549 weight 1.000 spectrum  3 peak  1733 ! spec=13CMETHYL, no=1733, id=1580, vol=1.020000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   16 and name   HN) 3.451 3.451 2.549 weight 1.000 spectrum  3 peak  1733 ! spec=13CMETHYL, no=1733, id=1580, vol=1.020000e+05
assign (segid "   A" and resid   12 and name  HG#) (segid "   A" and resid   16 and name   HN) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1734 ! spec=13CMETHYL, no=1734, id=1581, vol=1.190000e+05
assign (segid "   B" and resid   12 and name  HG#) (segid "   B" and resid   16 and name   HN) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1734 ! spec=13CMETHYL, no=1734, id=1581, vol=1.190000e+05
assign (segid "   C" and resid   12 and name  HG#) (segid "   C" and resid   16 and name   HN) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1734 ! spec=13CMETHYL, no=1734, id=1581, vol=1.190000e+05
assign (segid "   D" and resid   12 and name  HG#) (segid "   D" and resid   16 and name   HN) 3.364 1.414 1.414 weight 1.000 spectrum  3 peak  1734 ! spec=13CMETHYL, no=1734, id=1581, vol=1.190000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB#) 3.092 1.195 1.195 weight 1.000 spectrum  3 peak  1737 ! spec=13CMETHYL, no=1737, id=1583, vol=1.970000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name  HB#) 3.092 1.195 1.195 weight 1.000 spectrum  3 peak  1737 ! spec=13CMETHYL, no=1737, id=1583, vol=1.970000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HB#) 3.092 1.195 1.195 weight 1.000 spectrum  3 peak  1737 ! spec=13CMETHYL, no=1737, id=1583, vol=1.970000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    5 and name  HB#) 3.092 1.195 1.195 weight 1.000 spectrum  3 peak  1737 ! spec=13CMETHYL, no=1737, id=1583, vol=1.970000e+05
assign (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    1 and name  HB#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1748 ! spec=13CMETHYL, no=1748, id=1592, vol=1.510000e+05
assign (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    1 and name  HB#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1748 ! spec=13CMETHYL, no=1748, id=1592, vol=1.510000e+05
assign (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    1 and name  HB#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1748 ! spec=13CMETHYL, no=1748, id=1592, vol=1.510000e+05
assign (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    1 and name  HB#) 3.233 1.306 1.306 weight 1.000 spectrum  3 peak  1748 ! spec=13CMETHYL, no=1748, id=1592, vol=1.510000e+05
assign (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    1 and name  HB#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1749 ! spec=13CMETHYL, no=1749, id=1593, vol=2.030000e+05
assign (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    1 and name  HB#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1749 ! spec=13CMETHYL, no=1749, id=1593, vol=2.030000e+05
assign (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    1 and name  HB#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1749 ! spec=13CMETHYL, no=1749, id=1593, vol=2.030000e+05
assign (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    1 and name  HB#) 3.077 1.184 1.184 weight 1.000 spectrum  3 peak  1749 ! spec=13CMETHYL, no=1749, id=1593, vol=2.030000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG#) 2.489 2.489 3.511 weight 1.000 spectrum  3 peak  1752 ! spec=13CMETHYL, no=1752, id=1596, vol=7.240000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HG#) 2.489 2.489 3.511 weight 1.000 spectrum  3 peak  1752 ! spec=13CMETHYL, no=1752, id=1596, vol=7.240000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HG#) 2.489 2.489 3.511 weight 1.000 spectrum  3 peak  1752 ! spec=13CMETHYL, no=1752, id=1596, vol=7.240000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HG#) 2.489 2.489 3.511 weight 1.000 spectrum  3 peak  1752 ! spec=13CMETHYL, no=1752, id=1596, vol=7.240000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  3 peak  1753 ! spec=13CMETHYL, no=1753, id=1597, vol=8.160000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  3 peak  1753 ! spec=13CMETHYL, no=1753, id=1597, vol=8.160000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  3 peak  1753 ! spec=13CMETHYL, no=1753, id=1597, vol=8.160000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HB#) 2.440 0.744 0.744 weight 1.000 spectrum  3 peak  1753 ! spec=13CMETHYL, no=1753, id=1597, vol=8.160000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB#) 2.408 0.725 0.725 weight 1.000 spectrum  3 peak  1754 ! spec=13CMETHYL, no=1754, id=1598, vol=8.830000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name  HB#) 2.408 0.725 0.725 weight 1.000 spectrum  3 peak  1754 ! spec=13CMETHYL, no=1754, id=1598, vol=8.830000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name  HB#) 2.408 0.725 0.725 weight 1.000 spectrum  3 peak  1754 ! spec=13CMETHYL, no=1754, id=1598, vol=8.830000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name  HB#) 2.408 0.725 0.725 weight 1.000 spectrum  3 peak  1754 ! spec=13CMETHYL, no=1754, id=1598, vol=8.830000e+05
assign (segid "   A" and resid   40 and name  HB#) (segid "   A" and resid   37 and name   HN) 3.364 1.414 1.545 weight 1.000 spectrum  3 peak  1756 ! spec=13CMETHYL, no=1756, id=1599, vol=1.190000e+05
assign (segid "   B" and resid   40 and name  HB#) (segid "   B" and resid   37 and name   HN) 3.364 1.414 1.545 weight 1.000 spectrum  3 peak  1756 ! spec=13CMETHYL, no=1756, id=1599, vol=1.190000e+05
assign (segid "   C" and resid   40 and name  HB#) (segid "   C" and resid   37 and name   HN) 3.364 1.414 1.545 weight 1.000 spectrum  3 peak  1756 ! spec=13CMETHYL, no=1756, id=1599, vol=1.190000e+05
assign (segid "   D" and resid   40 and name  HB#) (segid "   D" and resid   37 and name   HN) 3.364 1.414 1.545 weight 1.000 spectrum  3 peak  1756 ! spec=13CMETHYL, no=1756, id=1599, vol=1.190000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name  HB#) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1761 ! spec=13CMETHYL, no=1761, id=1601, vol=1.640000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   18 and name  HB#) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1761 ! spec=13CMETHYL, no=1761, id=1601, vol=1.640000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   18 and name  HB#) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1761 ! spec=13CMETHYL, no=1761, id=1601, vol=1.640000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   18 and name  HB#) 3.188 1.271 1.271 weight 1.000 spectrum  3 peak  1761 ! spec=13CMETHYL, no=1761, id=1601, vol=1.640000e+05
assign (segid "   A" and resid   37 and name  HB#) (segid "   A" and resid   37 and name   HN) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1763 ! spec=13CMETHYL, no=1763, id=1603, vol=4.160000e+05
assign (segid "   B" and resid   37 and name  HB#) (segid "   B" and resid   37 and name   HN) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1763 ! spec=13CMETHYL, no=1763, id=1603, vol=4.160000e+05
assign (segid "   C" and resid   37 and name  HB#) (segid "   C" and resid   37 and name   HN) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1763 ! spec=13CMETHYL, no=1763, id=1603, vol=4.160000e+05
assign (segid "   D" and resid   37 and name  HB#) (segid "   D" and resid   37 and name   HN) 2.730 0.932 0.932 weight 1.000 spectrum  3 peak  1763 ! spec=13CMETHYL, no=1763, id=1603, vol=4.160000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HB) 3.481 1.515 1.651 weight 1.000 spectrum  3 peak  1764 ! spec=13CMETHYL, no=1764, id=1604, vol=9.680000e+04
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name   HB) 3.481 1.515 1.651 weight 1.000 spectrum  3 peak  1764 ! spec=13CMETHYL, no=1764, id=1604, vol=9.680000e+04
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HB) 3.481 1.515 1.651 weight 1.000 spectrum  3 peak  1764 ! spec=13CMETHYL, no=1764, id=1604, vol=9.680000e+04
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name   HB) 3.481 1.515 1.651 weight 1.000 spectrum  3 peak  1764 ! spec=13CMETHYL, no=1764, id=1604, vol=9.680000e+04
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG#) 2.417 2.417 3.583 weight 1.000 spectrum  3 peak  1766 ! spec=13CMETHYL, no=1766, id=1606, vol=8.650000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HG#) 2.417 2.417 3.583 weight 1.000 spectrum  3 peak  1766 ! spec=13CMETHYL, no=1766, id=1606, vol=8.650000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HG#) 2.417 2.417 3.583 weight 1.000 spectrum  3 peak  1766 ! spec=13CMETHYL, no=1766, id=1606, vol=8.650000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HG#) 2.417 2.417 3.583 weight 1.000 spectrum  3 peak  1766 ! spec=13CMETHYL, no=1766, id=1606, vol=8.650000e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HB) 2.417 0.730 0.730 weight 1.000 spectrum  3 peak  1767 ! spec=13CMETHYL, no=1767, id=1607, vol=8.650000e+05
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   36 and name   HB) 2.417 0.730 0.730 weight 1.000 spectrum  3 peak  1767 ! spec=13CMETHYL, no=1767, id=1607, vol=8.650000e+05
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   36 and name   HB) 2.417 0.730 0.730 weight 1.000 spectrum  3 peak  1767 ! spec=13CMETHYL, no=1767, id=1607, vol=8.650000e+05
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   36 and name   HB) 2.417 0.730 0.730 weight 1.000 spectrum  3 peak  1767 ! spec=13CMETHYL, no=1767, id=1607, vol=8.650000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB#) 2.362 0.697 0.697 weight 1.000 spectrum  3 peak  1768 ! spec=13CMETHYL, no=1768, id=1608, vol=9.930000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HB#) 2.362 0.697 0.697 weight 1.000 spectrum  3 peak  1768 ! spec=13CMETHYL, no=1768, id=1608, vol=9.930000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HB#) 2.362 0.697 0.697 weight 1.000 spectrum  3 peak  1768 ! spec=13CMETHYL, no=1768, id=1608, vol=9.930000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HB#) 2.362 0.697 0.697 weight 1.000 spectrum  3 peak  1768 ! spec=13CMETHYL, no=1768, id=1608, vol=9.930000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB#) 2.258 0.637 0.637 weight 1.000 spectrum  3 peak  1769 ! spec=13CMETHYL, no=1769, id=1609, vol=1.300000e+06
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   19 and name  HB#) 2.258 0.637 0.637 weight 1.000 spectrum  3 peak  1769 ! spec=13CMETHYL, no=1769, id=1609, vol=1.300000e+06
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   19 and name  HB#) 2.258 0.637 0.637 weight 1.000 spectrum  3 peak  1769 ! spec=13CMETHYL, no=1769, id=1609, vol=1.300000e+06
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   19 and name  HB#) 2.258 0.637 0.637 weight 1.000 spectrum  3 peak  1769 ! spec=13CMETHYL, no=1769, id=1609, vol=1.300000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG#) 2.752 2.752 3.248 weight 1.000 spectrum  3 peak  1776 ! spec=13CMETHYL, no=1776, id=1612, vol=3.970000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HG#) 2.752 2.752 3.248 weight 1.000 spectrum  3 peak  1776 ! spec=13CMETHYL, no=1776, id=1612, vol=3.970000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HG#) 2.752 2.752 3.248 weight 1.000 spectrum  3 peak  1776 ! spec=13CMETHYL, no=1776, id=1612, vol=3.970000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name  HG#) 2.752 2.752 3.248 weight 1.000 spectrum  3 peak  1776 ! spec=13CMETHYL, no=1776, id=1612, vol=3.970000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB#) 2.727 0.930 0.930 weight 1.000 spectrum  3 peak  1778 ! spec=13CMETHYL, no=1778, id=1614, vol=4.190000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HB#) 2.727 0.930 0.930 weight 1.000 spectrum  3 peak  1778 ! spec=13CMETHYL, no=1778, id=1614, vol=4.190000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HB#) 2.727 0.930 0.930 weight 1.000 spectrum  3 peak  1778 ! spec=13CMETHYL, no=1778, id=1614, vol=4.190000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name  HB#) 2.727 0.930 0.930 weight 1.000 spectrum  3 peak  1778 ! spec=13CMETHYL, no=1778, id=1614, vol=4.190000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HB#) 2.833 1.004 1.004 weight 1.000 spectrum  3 peak  1779 ! spec=13CMETHYL, no=1779, id=1615, vol=3.330000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HB#) 2.833 1.004 1.004 weight 1.000 spectrum  3 peak  1779 ! spec=13CMETHYL, no=1779, id=1615, vol=3.330000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HB#) 2.833 1.004 1.004 weight 1.000 spectrum  3 peak  1779 ! spec=13CMETHYL, no=1779, id=1615, vol=3.330000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name  HB#) 2.833 1.004 1.004 weight 1.000 spectrum  3 peak  1779 ! spec=13CMETHYL, no=1779, id=1615, vol=3.330000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name  HG#) 2.911 2.911 3.089 weight 1.000 spectrum  3 peak  1780 ! spec=13CMETHYL, no=1780, id=1616, vol=2.830000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name  HG#) 2.911 2.911 3.089 weight 1.000 spectrum  3 peak  1780 ! spec=13CMETHYL, no=1780, id=1616, vol=2.830000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name  HG#) 2.911 2.911 3.089 weight 1.000 spectrum  3 peak  1780 ! spec=13CMETHYL, no=1780, id=1616, vol=2.830000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name  HG#) 2.911 2.911 3.089 weight 1.000 spectrum  3 peak  1780 ! spec=13CMETHYL, no=1780, id=1616, vol=2.830000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB#) 2.845 1.012 1.012 weight 1.000 spectrum  3 peak  1781 ! spec=13CMETHYL, no=1781, id=1617, vol=3.250000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HB#) 2.845 1.012 1.012 weight 1.000 spectrum  3 peak  1781 ! spec=13CMETHYL, no=1781, id=1617, vol=3.250000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HB#) 2.845 1.012 1.012 weight 1.000 spectrum  3 peak  1781 ! spec=13CMETHYL, no=1781, id=1617, vol=3.250000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HB#) 2.845 1.012 1.012 weight 1.000 spectrum  3 peak  1781 ! spec=13CMETHYL, no=1781, id=1617, vol=3.250000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB#) 2.854 2.854 3.146 weight 1.000 spectrum  3 peak  1782 ! spec=13CMETHYL, no=1782, id=1618, vol=3.190000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HB#) 2.854 2.854 3.146 weight 1.000 spectrum  3 peak  1782 ! spec=13CMETHYL, no=1782, id=1618, vol=3.190000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HB#) 2.854 2.854 3.146 weight 1.000 spectrum  3 peak  1782 ! spec=13CMETHYL, no=1782, id=1618, vol=3.190000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HB#) 2.854 2.854 3.146 weight 1.000 spectrum  3 peak  1782 ! spec=13CMETHYL, no=1782, id=1618, vol=3.190000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG#) 2.655 0.881 1.466 weight 1.000 spectrum  3 peak  1783 ! spec=13CMETHYL, no=1783, id=1619, vol=4.920000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HG#) 2.655 0.881 1.466 weight 1.000 spectrum  3 peak  1783 ! spec=13CMETHYL, no=1783, id=1619, vol=4.920000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HG#) 2.655 0.881 1.466 weight 1.000 spectrum  3 peak  1783 ! spec=13CMETHYL, no=1783, id=1619, vol=4.920000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HG#) 2.655 0.881 1.466 weight 1.000 spectrum  3 peak  1783 ! spec=13CMETHYL, no=1783, id=1619, vol=4.920000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HG#) 2.662 2.662 3.338 weight 1.000 spectrum  3 peak  1784 ! spec=13CMETHYL, no=1784, id=1620, vol=4.840000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HG#) 2.662 2.662 3.338 weight 1.000 spectrum  3 peak  1784 ! spec=13CMETHYL, no=1784, id=1620, vol=4.840000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HG#) 2.662 2.662 3.338 weight 1.000 spectrum  3 peak  1784 ! spec=13CMETHYL, no=1784, id=1620, vol=4.840000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HG#) 2.662 2.662 3.338 weight 1.000 spectrum  3 peak  1784 ! spec=13CMETHYL, no=1784, id=1620, vol=4.840000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.809 0.986 0.986 weight 1.000 spectrum  3 peak  1785 ! spec=13CMETHYL, no=1785, id=1621, vol=3.510000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.809 0.986 0.986 weight 1.000 spectrum  3 peak  1785 ! spec=13CMETHYL, no=1785, id=1621, vol=3.510000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.809 0.986 0.986 weight 1.000 spectrum  3 peak  1785 ! spec=13CMETHYL, no=1785, id=1621, vol=3.510000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.809 0.986 0.986 weight 1.000 spectrum  3 peak  1785 ! spec=13CMETHYL, no=1785, id=1621, vol=3.510000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.612 0.853 0.853 weight 1.000 spectrum  3 peak  1787 ! spec=13CMETHYL, no=1787, id=1623, vol=5.430000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.612 0.853 0.853 weight 1.000 spectrum  3 peak  1787 ! spec=13CMETHYL, no=1787, id=1623, vol=5.430000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.612 0.853 0.853 weight 1.000 spectrum  3 peak  1787 ! spec=13CMETHYL, no=1787, id=1623, vol=5.430000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.612 0.853 0.853 weight 1.000 spectrum  3 peak  1787 ! spec=13CMETHYL, no=1787, id=1623, vol=5.430000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  3 peak  1788 ! spec=13CMETHYL, no=1788, id=1624, vol=1.530000e+06
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   13 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  3 peak  1788 ! spec=13CMETHYL, no=1788, id=1624, vol=1.530000e+06
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  3 peak  1788 ! spec=13CMETHYL, no=1788, id=1624, vol=1.530000e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name  HB#) 2.198 0.604 0.604 weight 1.000 spectrum  3 peak  1788 ! spec=13CMETHYL, no=1788, id=1624, vol=1.530000e+06
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   13 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1789 ! spec=13CMETHYL, no=1789, id=1625, vol=1.410000e+06
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   13 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1789 ! spec=13CMETHYL, no=1789, id=1625, vol=1.410000e+06
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   13 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1789 ! spec=13CMETHYL, no=1789, id=1625, vol=1.410000e+06
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   13 and name   HN) 2.228 0.620 0.620 weight 1.000 spectrum  3 peak  1789 ! spec=13CMETHYL, no=1789, id=1625, vol=1.410000e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HG#) 2.893 2.893 3.107 weight 1.000 spectrum  3 peak  1790 ! spec=13CMETHYL, no=1790, id=1626, vol=2.940000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name  HG#) 2.893 2.893 3.107 weight 1.000 spectrum  3 peak  1790 ! spec=13CMETHYL, no=1790, id=1626, vol=2.940000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HG#) 2.893 2.893 3.107 weight 1.000 spectrum  3 peak  1790 ! spec=13CMETHYL, no=1790, id=1626, vol=2.940000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HG#) 2.893 2.893 3.107 weight 1.000 spectrum  3 peak  1790 ! spec=13CMETHYL, no=1790, id=1626, vol=2.940000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HG#) 3.001 3.001 2.999 weight 1.000 spectrum  3 peak  1791 ! spec=13CMETHYL, no=1791, id=1627, vol=2.360000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name  HG#) 3.001 3.001 2.999 weight 1.000 spectrum  3 peak  1791 ! spec=13CMETHYL, no=1791, id=1627, vol=2.360000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HG#) 3.001 3.001 2.999 weight 1.000 spectrum  3 peak  1791 ! spec=13CMETHYL, no=1791, id=1627, vol=2.360000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HG#) 3.001 3.001 2.999 weight 1.000 spectrum  3 peak  1791 ! spec=13CMETHYL, no=1791, id=1627, vol=2.360000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak  1792 ! spec=13CMETHYL, no=1792, id=1628, vol=2.660000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak  1792 ! spec=13CMETHYL, no=1792, id=1628, vol=2.660000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak  1792 ! spec=13CMETHYL, no=1792, id=1628, vol=2.660000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HB#) 2.942 1.082 1.082 weight 1.000 spectrum  3 peak  1792 ! spec=13CMETHYL, no=1792, id=1628, vol=2.660000e+05
assign (segid "   A" and resid    9 and name   HB) (segid "   B" and resid    5 and name   HN) 3.163 1.251 1.251 weight 1.000 spectrum  3 peak  1794 ! spec=13CMETHYL, no=1794, id=1630, vol=1.720000e+05
assign (segid "   B" and resid    9 and name   HB) (segid "   A" and resid    5 and name   HN) 3.163 1.251 1.251 weight 1.000 spectrum  3 peak  1794 ! spec=13CMETHYL, no=1794, id=1630, vol=1.720000e+05
assign (segid "   C" and resid    9 and name   HB) (segid "   D" and resid    5 and name   HN) 3.163 1.251 1.251 weight 1.000 spectrum  3 peak  1794 ! spec=13CMETHYL, no=1794, id=1630, vol=1.720000e+05
assign (segid "   D" and resid    9 and name   HB) (segid "   C" and resid    5 and name   HN) 3.163 1.251 1.251 weight 1.000 spectrum  3 peak  1794 ! spec=13CMETHYL, no=1794, id=1630, vol=1.720000e+05
assign (segid "   A" and resid    8 and name  HG#) (segid "   B" and resid    5 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1795 ! spec=13CMETHYL, no=1795, id=1631, vol=1.300000e+05
assign (segid "   B" and resid    8 and name  HG#) (segid "   A" and resid    5 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1795 ! spec=13CMETHYL, no=1795, id=1631, vol=1.300000e+05
assign (segid "   C" and resid    8 and name  HG#) (segid "   D" and resid    5 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1795 ! spec=13CMETHYL, no=1795, id=1631, vol=1.300000e+05
assign (segid "   D" and resid    8 and name  HG#) (segid "   C" and resid    5 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  3 peak  1795 ! spec=13CMETHYL, no=1795, id=1631, vol=1.300000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    5 and name   HN) 3.445 1.484 1.693 weight 1.000 spectrum  3 peak  1798 ! spec=13CMETHYL, no=1798, id=1634, vol=1.030000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    5 and name   HN) 3.445 1.484 1.693 weight 1.000 spectrum  3 peak  1798 ! spec=13CMETHYL, no=1798, id=1634, vol=1.030000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    5 and name   HN) 3.445 1.484 1.693 weight 1.000 spectrum  3 peak  1798 ! spec=13CMETHYL, no=1798, id=1634, vol=1.030000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    5 and name   HN) 3.445 1.484 1.693 weight 1.000 spectrum  3 peak  1798 ! spec=13CMETHYL, no=1798, id=1634, vol=1.030000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   B" and resid    5 and name   HN) 3.314 3.314 2.686 weight 1.000 spectrum  3 peak  1799 ! spec=13CMETHYL, no=1799, id=1635, vol=1.300000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   A" and resid    5 and name   HN) 3.314 3.314 2.686 weight 1.000 spectrum  3 peak  1799 ! spec=13CMETHYL, no=1799, id=1635, vol=1.300000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   D" and resid    5 and name   HN) 3.314 3.314 2.686 weight 1.000 spectrum  3 peak  1799 ! spec=13CMETHYL, no=1799, id=1635, vol=1.300000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   C" and resid    5 and name   HN) 3.314 3.314 2.686 weight 1.000 spectrum  3 peak  1799 ! spec=13CMETHYL, no=1799, id=1635, vol=1.300000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG2#) 2.025 0.513 0.513 weight 1.000 spectrum  3 peak  1800 ! spec=13CMETHYL, no=1800, id=1636, vol=2.500000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name HG2#) 2.025 0.513 0.513 weight 1.000 spectrum  3 peak  1800 ! spec=13CMETHYL, no=1800, id=1636, vol=2.500000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name HG2#) 2.025 0.513 0.513 weight 1.000 spectrum  3 peak  1800 ! spec=13CMETHYL, no=1800, id=1636, vol=2.500000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    4 and name HG2#) 2.025 0.513 0.513 weight 1.000 spectrum  3 peak  1800 ! spec=13CMETHYL, no=1800, id=1636, vol=2.500000e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB#) 3.067 1.176 1.176 weight 1.000 spectrum  3 peak  1803 ! spec=13CMETHYL, no=1803, id=1637, vol=2.070000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name  HB#) 3.067 1.176 1.176 weight 1.000 spectrum  3 peak  1803 ! spec=13CMETHYL, no=1803, id=1637, vol=2.070000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name  HB#) 3.067 1.176 1.176 weight 1.000 spectrum  3 peak  1803 ! spec=13CMETHYL, no=1803, id=1637, vol=2.070000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name  HB#) 3.067 1.176 1.176 weight 1.000 spectrum  3 peak  1803 ! spec=13CMETHYL, no=1803, id=1637, vol=2.070000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1806 ! spec=13CMETHYL, no=1806, id=1640, vol=4.320000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1806 ! spec=13CMETHYL, no=1806, id=1640, vol=4.320000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1806 ! spec=13CMETHYL, no=1806, id=1640, vol=4.320000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HB#) 2.713 0.920 0.920 weight 1.000 spectrum  3 peak  1806 ! spec=13CMETHYL, no=1806, id=1640, vol=4.320000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB#) 2.659 0.884 0.884 weight 1.000 spectrum  3 peak  1807 ! spec=13CMETHYL, no=1807, id=1641, vol=4.870000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HB#) 2.659 0.884 0.884 weight 1.000 spectrum  3 peak  1807 ! spec=13CMETHYL, no=1807, id=1641, vol=4.870000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HB#) 2.659 0.884 0.884 weight 1.000 spectrum  3 peak  1807 ! spec=13CMETHYL, no=1807, id=1641, vol=4.870000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HB#) 2.659 0.884 0.884 weight 1.000 spectrum  3 peak  1807 ! spec=13CMETHYL, no=1807, id=1641, vol=4.870000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.479 0.768 0.768 weight 1.000 spectrum  3 peak  1809 ! spec=13CMETHYL, no=1809, id=1642, vol=7.420000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.479 0.768 0.768 weight 1.000 spectrum  3 peak  1809 ! spec=13CMETHYL, no=1809, id=1642, vol=7.420000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.479 0.768 0.768 weight 1.000 spectrum  3 peak  1809 ! spec=13CMETHYL, no=1809, id=1642, vol=7.420000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.479 0.768 0.768 weight 1.000 spectrum  3 peak  1809 ! spec=13CMETHYL, no=1809, id=1642, vol=7.420000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB#) 2.468 0.762 0.762 weight 1.000 spectrum  3 peak  1810 ! spec=13CMETHYL, no=1810, id=1643, vol=7.620000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HB#) 2.468 0.762 0.762 weight 1.000 spectrum  3 peak  1810 ! spec=13CMETHYL, no=1810, id=1643, vol=7.620000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HB#) 2.468 0.762 0.762 weight 1.000 spectrum  3 peak  1810 ! spec=13CMETHYL, no=1810, id=1643, vol=7.620000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HB#) 2.468 0.762 0.762 weight 1.000 spectrum  3 peak  1810 ! spec=13CMETHYL, no=1810, id=1643, vol=7.620000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name  HB#) 3.188 3.188 2.812 weight 1.000 spectrum  3 peak  1811 ! spec=13CMETHYL, no=1811, id=1644, vol=1.640000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   13 and name  HB#) 3.188 3.188 2.812 weight 1.000 spectrum  3 peak  1811 ! spec=13CMETHYL, no=1811, id=1644, vol=1.640000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name  HB#) 3.188 3.188 2.812 weight 1.000 spectrum  3 peak  1811 ! spec=13CMETHYL, no=1811, id=1644, vol=1.640000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   13 and name  HB#) 3.188 3.188 2.812 weight 1.000 spectrum  3 peak  1811 ! spec=13CMETHYL, no=1811, id=1644, vol=1.640000e+05
assign (segid "   A" and resid   13 and name  HB#) (segid "   A" and resid   12 and name   HN) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1812 ! spec=13CMETHYL, no=1812, id=1645, vol=1.460000e+05
assign (segid "   B" and resid   13 and name  HB#) (segid "   B" and resid   12 and name   HN) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1812 ! spec=13CMETHYL, no=1812, id=1645, vol=1.460000e+05
assign (segid "   C" and resid   13 and name  HB#) (segid "   C" and resid   12 and name   HN) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1812 ! spec=13CMETHYL, no=1812, id=1645, vol=1.460000e+05
assign (segid "   D" and resid   13 and name  HB#) (segid "   D" and resid   12 and name   HN) 3.251 3.251 2.749 weight 1.000 spectrum  3 peak  1812 ! spec=13CMETHYL, no=1812, id=1645, vol=1.460000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG#) 2.798 2.798 3.202 weight 1.000 spectrum  3 peak  1813 ! spec=13CMETHYL, no=1813, id=1646, vol=3.590000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HG#) 2.798 2.798 3.202 weight 1.000 spectrum  3 peak  1813 ! spec=13CMETHYL, no=1813, id=1646, vol=3.590000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HG#) 2.798 2.798 3.202 weight 1.000 spectrum  3 peak  1813 ! spec=13CMETHYL, no=1813, id=1646, vol=3.590000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HG#) 2.798 2.798 3.202 weight 1.000 spectrum  3 peak  1813 ! spec=13CMETHYL, no=1813, id=1646, vol=3.590000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HG#) 2.890 2.890 3.110 weight 1.000 spectrum  3 peak  1814 ! spec=13CMETHYL, no=1814, id=1647, vol=2.960000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HG#) 2.890 2.890 3.110 weight 1.000 spectrum  3 peak  1814 ! spec=13CMETHYL, no=1814, id=1647, vol=2.960000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HG#) 2.890 2.890 3.110 weight 1.000 spectrum  3 peak  1814 ! spec=13CMETHYL, no=1814, id=1647, vol=2.960000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HG#) 2.890 2.890 3.110 weight 1.000 spectrum  3 peak  1814 ! spec=13CMETHYL, no=1814, id=1647, vol=2.960000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1817 ! spec=13CMETHYL, no=1817, id=1648, vol=1.890000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1817 ! spec=13CMETHYL, no=1817, id=1648, vol=1.890000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1817 ! spec=13CMETHYL, no=1817, id=1648, vol=1.890000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HG#) 3.114 1.212 1.212 weight 1.000 spectrum  3 peak  1817 ! spec=13CMETHYL, no=1817, id=1648, vol=1.890000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HG#) 3.195 1.276 1.276 weight 1.000 spectrum  3 peak  1818 ! spec=13CMETHYL, no=1818, id=1649, vol=1.620000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name  HG#) 3.195 1.276 1.276 weight 1.000 spectrum  3 peak  1818 ! spec=13CMETHYL, no=1818, id=1649, vol=1.620000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name  HG#) 3.195 1.276 1.276 weight 1.000 spectrum  3 peak  1818 ! spec=13CMETHYL, no=1818, id=1649, vol=1.620000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name  HG#) 3.195 1.276 1.276 weight 1.000 spectrum  3 peak  1818 ! spec=13CMETHYL, no=1818, id=1649, vol=1.620000e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HB#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1828 ! spec=13CMETHYL, no=1828, id=1652, vol=1.530000e+05
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   32 and name  HB#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1828 ! spec=13CMETHYL, no=1828, id=1652, vol=1.530000e+05
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HB#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1828 ! spec=13CMETHYL, no=1828, id=1652, vol=1.530000e+05
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HB#) 3.226 1.301 1.301 weight 1.000 spectrum  3 peak  1828 ! spec=13CMETHYL, no=1828, id=1652, vol=1.530000e+05
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   33 and name   HN) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1829 ! spec=13CMETHYL, no=1829, id=1653, vol=9.790000e+04
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   33 and name   HN) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1829 ! spec=13CMETHYL, no=1829, id=1653, vol=9.790000e+04
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   33 and name   HN) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1829 ! spec=13CMETHYL, no=1829, id=1653, vol=9.790000e+04
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   33 and name   HN) 3.475 1.509 1.509 weight 1.000 spectrum  3 peak  1829 ! spec=13CMETHYL, no=1829, id=1653, vol=9.790000e+04
assign (segid "   A" and resid   34 and name  HG#) (segid "   A" and resid   33 and name   HN) 3.472 1.507 1.507 weight 1.000 spectrum  3 peak  1830 ! spec=13CMETHYL, no=1830, id=1654, vol=9.830000e+04
assign (segid "   B" and resid   34 and name  HG#) (segid "   B" and resid   33 and name   HN) 3.472 1.507 1.507 weight 1.000 spectrum  3 peak  1830 ! spec=13CMETHYL, no=1830, id=1654, vol=9.830000e+04
assign (segid "   C" and resid   34 and name  HG#) (segid "   C" and resid   33 and name   HN) 3.472 1.507 1.507 weight 1.000 spectrum  3 peak  1830 ! spec=13CMETHYL, no=1830, id=1654, vol=9.830000e+04
assign (segid "   D" and resid   34 and name  HG#) (segid "   D" and resid   33 and name   HN) 3.472 1.507 1.507 weight 1.000 spectrum  3 peak  1830 ! spec=13CMETHYL, no=1830, id=1654, vol=9.830000e+04
assign (segid "   A" and resid   32 and name  HG#) (segid "   A" and resid   33 and name   HN) 3.481 1.514 1.514 weight 1.000 spectrum  3 peak  1831 ! spec=13CMETHYL, no=1831, id=1655, vol=9.690000e+04
assign (segid "   B" and resid   32 and name  HG#) (segid "   B" and resid   33 and name   HN) 3.481 1.514 1.514 weight 1.000 spectrum  3 peak  1831 ! spec=13CMETHYL, no=1831, id=1655, vol=9.690000e+04
assign (segid "   C" and resid   32 and name  HG#) (segid "   C" and resid   33 and name   HN) 3.481 1.514 1.514 weight 1.000 spectrum  3 peak  1831 ! spec=13CMETHYL, no=1831, id=1655, vol=9.690000e+04
assign (segid "   D" and resid   32 and name  HG#) (segid "   D" and resid   33 and name   HN) 3.481 1.514 1.514 weight 1.000 spectrum  3 peak  1831 ! spec=13CMETHYL, no=1831, id=1655, vol=9.690000e+04
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB#) 2.510 2.510 3.490 weight 1.000 spectrum  3 peak  1832 ! spec=13CMETHYL, no=1832, id=1656, vol=6.890000e+05
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   33 and name  HB#) 2.510 2.510 3.490 weight 1.000 spectrum  3 peak  1832 ! spec=13CMETHYL, no=1832, id=1656, vol=6.890000e+05
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB#) 2.510 2.510 3.490 weight 1.000 spectrum  3 peak  1832 ! spec=13CMETHYL, no=1832, id=1656, vol=6.890000e+05
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name  HB#) 2.510 2.510 3.490 weight 1.000 spectrum  3 peak  1832 ! spec=13CMETHYL, no=1832, id=1656, vol=6.890000e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name  HB#) 2.600 0.845 0.845 weight 1.000 spectrum  3 peak  1833 ! spec=13CMETHYL, no=1833, id=1657, vol=5.580000e+05
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   33 and name  HB#) 2.600 0.845 0.845 weight 1.000 spectrum  3 peak  1833 ! spec=13CMETHYL, no=1833, id=1657, vol=5.580000e+05
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name  HB#) 2.600 0.845 0.845 weight 1.000 spectrum  3 peak  1833 ! spec=13CMETHYL, no=1833, id=1657, vol=5.580000e+05
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name  HB#) 2.600 0.845 0.845 weight 1.000 spectrum  3 peak  1833 ! spec=13CMETHYL, no=1833, id=1657, vol=5.580000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name   HB) 2.533 0.802 0.802 weight 1.000 spectrum  3 peak  1834 ! spec=13CMETHYL, no=1834, id=1658, vol=6.530000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    9 and name   HB) 2.533 0.802 0.802 weight 1.000 spectrum  3 peak  1834 ! spec=13CMETHYL, no=1834, id=1658, vol=6.530000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    9 and name   HB) 2.533 0.802 0.802 weight 1.000 spectrum  3 peak  1834 ! spec=13CMETHYL, no=1834, id=1658, vol=6.530000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    9 and name   HB) 2.533 0.802 0.802 weight 1.000 spectrum  3 peak  1834 ! spec=13CMETHYL, no=1834, id=1658, vol=6.530000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak  1835 ! spec=13CMETHYL, no=1835, id=1659, vol=6.550000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak  1835 ! spec=13CMETHYL, no=1835, id=1659, vol=6.550000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak  1835 ! spec=13CMETHYL, no=1835, id=1659, vol=6.550000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name  HG#) 2.531 0.801 0.801 weight 1.000 spectrum  3 peak  1835 ! spec=13CMETHYL, no=1835, id=1659, vol=6.550000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB#) 2.831 2.831 3.169 weight 1.000 spectrum  3 peak  1836 ! spec=13CMETHYL, no=1836, id=1660, vol=3.350000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid    8 and name  HB#) 2.831 2.831 3.169 weight 1.000 spectrum  3 peak  1836 ! spec=13CMETHYL, no=1836, id=1660, vol=3.350000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid    8 and name  HB#) 2.831 2.831 3.169 weight 1.000 spectrum  3 peak  1836 ! spec=13CMETHYL, no=1836, id=1660, vol=3.350000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid    8 and name  HB#) 2.831 2.831 3.169 weight 1.000 spectrum  3 peak  1836 ! spec=13CMETHYL, no=1836, id=1660, vol=3.350000e+05
assign (segid "   A" and resid    8 and name  HB#) (segid "   A" and resid    9 and name   HN) 2.724 2.724 3.276 weight 1.000 spectrum  3 peak  1837 ! spec=13CMETHYL, no=1837, id=1661, vol=4.220000e+05
assign (segid "   B" and resid    8 and name  HB#) (segid "   B" and resid    9 and name   HN) 2.724 2.724 3.276 weight 1.000 spectrum  3 peak  1837 ! spec=13CMETHYL, no=1837, id=1661, vol=4.220000e+05
assign (segid "   C" and resid    8 and name  HB#) (segid "   C" and resid    9 and name   HN) 2.724 2.724 3.276 weight 1.000 spectrum  3 peak  1837 ! spec=13CMETHYL, no=1837, id=1661, vol=4.220000e+05
assign (segid "   D" and resid    8 and name  HB#) (segid "   D" and resid    9 and name   HN) 2.724 2.724 3.276 weight 1.000 spectrum  3 peak  1837 ! spec=13CMETHYL, no=1837, id=1661, vol=4.220000e+05
assign (segid "   A" and resid    4 and name HG2#) (segid "   B" and resid    9 and name   HN) 2.311 0.668 0.668 weight 1.000 spectrum  3 peak  1839 ! spec=13CMETHYL, no=1839, id=1662, vol=1.130000e+06
assign (segid "   B" and resid    4 and name HG2#) (segid "   A" and resid    9 and name   HN) 2.311 0.668 0.668 weight 1.000 spectrum  3 peak  1839 ! spec=13CMETHYL, no=1839, id=1662, vol=1.130000e+06
assign (segid "   C" and resid    4 and name HG2#) (segid "   D" and resid    9 and name   HN) 2.311 0.668 0.668 weight 1.000 spectrum  3 peak  1839 ! spec=13CMETHYL, no=1839, id=1662, vol=1.130000e+06
assign (segid "   D" and resid    4 and name HG2#) (segid "   C" and resid    9 and name   HN) 2.311 0.668 0.668 weight 1.000 spectrum  3 peak  1839 ! spec=13CMETHYL, no=1839, id=1662, vol=1.130000e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1841 ! spec=13CMETHYL, no=1841, id=1663, vol=5.550000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1841 ! spec=13CMETHYL, no=1841, id=1663, vol=5.550000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1841 ! spec=13CMETHYL, no=1841, id=1663, vol=5.550000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1841 ! spec=13CMETHYL, no=1841, id=1663, vol=5.550000e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1842 ! spec=13CMETHYL, no=1842, id=1664, vol=5.550000e+05
assign (segid "   B" and resid    7 and name   HN) (segid "   B" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1842 ! spec=13CMETHYL, no=1842, id=1664, vol=5.550000e+05
assign (segid "   C" and resid    7 and name   HN) (segid "   C" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1842 ! spec=13CMETHYL, no=1842, id=1664, vol=5.550000e+05
assign (segid "   D" and resid    7 and name   HN) (segid "   D" and resid    7 and name  HB#) 2.602 0.846 0.846 weight 1.000 spectrum  3 peak  1842 ! spec=13CMETHYL, no=1842, id=1664, vol=5.550000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB#) 2.367 0.701 0.701 weight 1.000 spectrum  3 peak  1848 ! spec=13CMETHYL, no=1848, id=1668, vol=9.790000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HB#) 2.367 0.701 0.701 weight 1.000 spectrum  3 peak  1848 ! spec=13CMETHYL, no=1848, id=1668, vol=9.790000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HB#) 2.367 0.701 0.701 weight 1.000 spectrum  3 peak  1848 ! spec=13CMETHYL, no=1848, id=1668, vol=9.790000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HB#) 2.367 0.701 0.701 weight 1.000 spectrum  3 peak  1848 ! spec=13CMETHYL, no=1848, id=1668, vol=9.790000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB#) 2.375 0.705 0.705 weight 1.000 spectrum  3 peak  1849 ! spec=13CMETHYL, no=1849, id=1669, vol=9.590000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HB#) 2.375 0.705 0.705 weight 1.000 spectrum  3 peak  1849 ! spec=13CMETHYL, no=1849, id=1669, vol=9.590000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HB#) 2.375 0.705 0.705 weight 1.000 spectrum  3 peak  1849 ! spec=13CMETHYL, no=1849, id=1669, vol=9.590000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HB#) 2.375 0.705 0.705 weight 1.000 spectrum  3 peak  1849 ! spec=13CMETHYL, no=1849, id=1669, vol=9.590000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HG#) 2.688 2.688 3.312 weight 1.000 spectrum  3 peak  1850 ! spec=13CMETHYL, no=1850, id=1670, vol=4.570000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name  HG#) 2.688 2.688 3.312 weight 1.000 spectrum  3 peak  1850 ! spec=13CMETHYL, no=1850, id=1670, vol=4.570000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name  HG#) 2.688 2.688 3.312 weight 1.000 spectrum  3 peak  1850 ! spec=13CMETHYL, no=1850, id=1670, vol=4.570000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name  HG#) 2.688 2.688 3.312 weight 1.000 spectrum  3 peak  1850 ! spec=13CMETHYL, no=1850, id=1670, vol=4.570000e+05
assign (segid "   A" and resid   10 and name  HG#) (segid "   A" and resid   10 and name   HN) 2.694 2.694 3.306 weight 1.000 spectrum  3 peak  1851 ! spec=13CMETHYL, no=1851, id=1671, vol=4.510000e+05
assign (segid "   B" and resid   10 and name  HG#) (segid "   B" and resid   10 and name   HN) 2.694 2.694 3.306 weight 1.000 spectrum  3 peak  1851 ! spec=13CMETHYL, no=1851, id=1671, vol=4.510000e+05
assign (segid "   C" and resid   10 and name  HG#) (segid "   C" and resid   10 and name   HN) 2.694 2.694 3.306 weight 1.000 spectrum  3 peak  1851 ! spec=13CMETHYL, no=1851, id=1671, vol=4.510000e+05
assign (segid "   D" and resid   10 and name  HG#) (segid "   D" and resid   10 and name   HN) 2.694 2.694 3.306 weight 1.000 spectrum  3 peak  1851 ! spec=13CMETHYL, no=1851, id=1671, vol=4.510000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HB) 2.899 2.899 3.101 weight 1.000 spectrum  3 peak  1852 ! spec=13CMETHYL, no=1852, id=1672, vol=2.900000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    9 and name   HB) 2.899 2.899 3.101 weight 1.000 spectrum  3 peak  1852 ! spec=13CMETHYL, no=1852, id=1672, vol=2.900000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name   HB) 2.899 2.899 3.101 weight 1.000 spectrum  3 peak  1852 ! spec=13CMETHYL, no=1852, id=1672, vol=2.900000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    9 and name   HB) 2.899 2.899 3.101 weight 1.000 spectrum  3 peak  1852 ! spec=13CMETHYL, no=1852, id=1672, vol=2.900000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   15 and name  HD#) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1855 ! spec=13CMETHYL, no=1855, id=1674, vol=1.370000e+05
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   15 and name  HD#) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1855 ! spec=13CMETHYL, no=1855, id=1674, vol=1.370000e+05
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   15 and name  HD#) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1855 ! spec=13CMETHYL, no=1855, id=1674, vol=1.370000e+05
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   15 and name  HD#) 3.285 1.349 1.349 weight 1.000 spectrum  3 peak  1855 ! spec=13CMETHYL, no=1855, id=1674, vol=1.370000e+05
assign (segid "   A" and resid    7 and name  HB#) (segid "   B" and resid   15 and name  HD#) 3.484 1.517 1.517 weight 1.000 spectrum  3 peak  1856 ! spec=13CMETHYL, no=1856, id=1675, vol=9.640000e+04
assign (segid "   B" and resid    7 and name  HB#) (segid "   A" and resid   15 and name  HD#) 3.484 1.517 1.517 weight 1.000 spectrum  3 peak  1856 ! spec=13CMETHYL, no=1856, id=1675, vol=9.640000e+04
assign (segid "   C" and resid    7 and name  HB#) (segid "   D" and resid   15 and name  HD#) 3.484 1.517 1.517 weight 1.000 spectrum  3 peak  1856 ! spec=13CMETHYL, no=1856, id=1675, vol=9.640000e+04
assign (segid "   D" and resid    7 and name  HB#) (segid "   C" and resid   15 and name  HD#) 3.484 1.517 1.517 weight 1.000 spectrum  3 peak  1856 ! spec=13CMETHYL, no=1856, id=1675, vol=9.640000e+04
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 3.502 1.533 1.533 weight 1.000 spectrum  4 peak    49 ! spec=15N, no=49, id=3, vol=7.820000e+05
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   21 and name   HA) 3.502 1.533 1.533 weight 1.000 spectrum  4 peak    49 ! spec=15N, no=49, id=3, vol=7.820000e+05
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   21 and name   HA) 3.502 1.533 1.533 weight 1.000 spectrum  4 peak    49 ! spec=15N, no=49, id=3, vol=7.820000e+05
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   21 and name   HA) 3.502 1.533 1.533 weight 1.000 spectrum  4 peak    49 ! spec=15N, no=49, id=3, vol=7.820000e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak    51 ! spec=15N, no=51, id=5, vol=2.170000e+06
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   22 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak    51 ! spec=15N, no=51, id=5, vol=2.170000e+06
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   22 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak    51 ! spec=15N, no=51, id=5, vol=2.170000e+06
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   22 and name   HA) 2.954 1.091 1.091 weight 1.000 spectrum  4 peak    51 ! spec=15N, no=51, id=5, vol=2.170000e+06
assign (segid "   A" and resid    1 and name  HT#) (segid "   A" and resid    2 and name   HN) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak    60 ! spec=15N, no=60, id=13, vol=3.910000e+05
assign (segid "   B" and resid    1 and name  HT#) (segid "   B" and resid    2 and name   HN) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak    60 ! spec=15N, no=60, id=13, vol=3.910000e+05
assign (segid "   C" and resid    1 and name  HT#) (segid "   C" and resid    2 and name   HN) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak    60 ! spec=15N, no=60, id=13, vol=3.910000e+05
assign (segid "   D" and resid    1 and name  HT#) (segid "   D" and resid    2 and name   HN) 3.931 1.932 1.932 weight 1.000 spectrum  4 peak    60 ! spec=15N, no=60, id=13, vol=3.910000e+05

assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HG#) 2.727 0.929 0.929 weight 1.000 spectrum  4 peak    65 ! spec=15N, no=65, id=17, vol=3.510000e+06
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HG#) 2.727 0.929 0.929 weight 1.000 spectrum  4 peak    65 ! spec=15N, no=65, id=17, vol=3.510000e+06
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HG#) 2.727 0.929 0.929 weight 1.000 spectrum  4 peak    65 ! spec=15N, no=65, id=17, vol=3.510000e+06
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HG#) 2.727 0.929 0.929 weight 1.000 spectrum  4 peak    65 ! spec=15N, no=65, id=17, vol=3.510000e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB#) 2.431 2.431 3.569 weight 1.000 spectrum  4 peak    66 ! spec=15N, no=66, id=18, vol=6.990000e+06
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HB#) 2.431 2.431 3.569 weight 1.000 spectrum  4 peak    66 ! spec=15N, no=66, id=18, vol=6.990000e+06
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB#) 2.431 2.431 3.569 weight 1.000 spectrum  4 peak    66 ! spec=15N, no=66, id=18, vol=6.990000e+06
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HB#) 2.431 2.431 3.569 weight 1.000 spectrum  4 peak    66 ! spec=15N, no=66, id=18, vol=6.990000e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  4 peak    67 ! spec=15N, no=67, id=19, vol=3.750000e+06
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  4 peak    67 ! spec=15N, no=67, id=19, vol=3.750000e+06
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  4 peak    67 ! spec=15N, no=67, id=19, vol=3.750000e+06
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name  HB#) 2.697 0.909 0.909 weight 1.000 spectrum  4 peak    67 ! spec=15N, no=67, id=19, vol=3.750000e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name  HB#) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak    68 ! spec=15N, no=68, id=20, vol=1.750000e+06
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    1 and name  HB#) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak    68 ! spec=15N, no=68, id=20, vol=1.750000e+06
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    1 and name  HB#) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak    68 ! spec=15N, no=68, id=20, vol=1.750000e+06
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    1 and name  HB#) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak    68 ! spec=15N, no=68, id=20, vol=1.750000e+06
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    1 and name   HA) 2.283 0.651 0.651 weight 1.000 spectrum  4 peak    69 ! spec=15N, no=69, id=21, vol=1.020000e+07
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    1 and name   HA) 2.283 0.651 0.651 weight 1.000 spectrum  4 peak    69 ! spec=15N, no=69, id=21, vol=1.020000e+07
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    1 and name   HA) 2.283 0.651 0.651 weight 1.000 spectrum  4 peak    69 ! spec=15N, no=69, id=21, vol=1.020000e+07
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    1 and name   HA) 2.283 0.651 0.651 weight 1.000 spectrum  4 peak    69 ! spec=15N, no=69, id=21, vol=1.020000e+07
assign (segid "   A" and resid    2 and name   HN) (segid "   A" and resid    2 and name   HA) 2.615 0.855 0.855 weight 1.000 spectrum  4 peak    70 ! spec=15N, no=70, id=22, vol=4.510000e+06
assign (segid "   B" and resid    2 and name   HN) (segid "   B" and resid    2 and name   HA) 2.615 0.855 0.855 weight 1.000 spectrum  4 peak    70 ! spec=15N, no=70, id=22, vol=4.510000e+06
assign (segid "   C" and resid    2 and name   HN) (segid "   C" and resid    2 and name   HA) 2.615 0.855 0.855 weight 1.000 spectrum  4 peak    70 ! spec=15N, no=70, id=22, vol=4.510000e+06
assign (segid "   D" and resid    2 and name   HN) (segid "   D" and resid    2 and name   HA) 2.615 0.855 0.855 weight 1.000 spectrum  4 peak    70 ! spec=15N, no=70, id=22, vol=4.510000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name   HN) 2.666 2.666 3.334 weight 1.000 spectrum  4 peak    71 ! spec=15N, no=71, id=23, vol=4.020000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    4 and name   HN) 2.666 2.666 3.334 weight 1.000 spectrum  4 peak    71 ! spec=15N, no=71, id=23, vol=4.020000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    4 and name   HN) 2.666 2.666 3.334 weight 1.000 spectrum  4 peak    71 ! spec=15N, no=71, id=23, vol=4.020000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    4 and name   HN) 2.666 2.666 3.334 weight 1.000 spectrum  4 peak    71 ! spec=15N, no=71, id=23, vol=4.020000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.416 0.730 0.730 weight 1.000 spectrum  4 peak    72 ! spec=15N, no=72, id=24, vol=7.250000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name   HA) 2.416 0.730 0.730 weight 1.000 spectrum  4 peak    72 ! spec=15N, no=72, id=24, vol=7.250000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    3 and name   HA) 2.416 0.730 0.730 weight 1.000 spectrum  4 peak    72 ! spec=15N, no=72, id=24, vol=7.250000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    3 and name   HA) 2.416 0.730 0.730 weight 1.000 spectrum  4 peak    72 ! spec=15N, no=72, id=24, vol=7.250000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.385 0.711 0.848 weight 1.000 spectrum  4 peak    73 ! spec=15N, no=73, id=25, vol=7.850000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name   HA) 2.385 0.711 0.848 weight 1.000 spectrum  4 peak    73 ! spec=15N, no=73, id=25, vol=7.850000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name   HA) 2.385 0.711 0.848 weight 1.000 spectrum  4 peak    73 ! spec=15N, no=73, id=25, vol=7.850000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name   HA) 2.385 0.711 0.848 weight 1.000 spectrum  4 peak    73 ! spec=15N, no=73, id=25, vol=7.850000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB#) 2.330 0.678 0.678 weight 1.000 spectrum  4 peak    74 ! spec=15N, no=74, id=26, vol=9.030000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    3 and name  HB#) 2.330 0.678 0.678 weight 1.000 spectrum  4 peak    74 ! spec=15N, no=74, id=26, vol=9.030000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    3 and name  HB#) 2.330 0.678 0.678 weight 1.000 spectrum  4 peak    74 ! spec=15N, no=74, id=26, vol=9.030000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    3 and name  HB#) 2.330 0.678 0.678 weight 1.000 spectrum  4 peak    74 ! spec=15N, no=74, id=26, vol=9.030000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HG#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak    75 ! spec=15N, no=75, id=27, vol=7.620000e+05
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HG#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak    75 ! spec=15N, no=75, id=27, vol=7.620000e+05
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HG#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak    75 ! spec=15N, no=75, id=27, vol=7.620000e+05
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HG#) 3.517 1.546 1.546 weight 1.000 spectrum  4 peak    75 ! spec=15N, no=75, id=27, vol=7.620000e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB#) 3.092 3.092 2.908 weight 1.000 spectrum  4 peak    76 ! spec=15N, no=76, id=28, vol=1.650000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HB#) 3.092 3.092 2.908 weight 1.000 spectrum  4 peak    76 ! spec=15N, no=76, id=28, vol=1.650000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB#) 3.092 3.092 2.908 weight 1.000 spectrum  4 peak    76 ! spec=15N, no=76, id=28, vol=1.650000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB#) 3.092 3.092 2.908 weight 1.000 spectrum  4 peak    76 ! spec=15N, no=76, id=28, vol=1.650000e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB#) 3.243 1.315 1.315 weight 1.000 spectrum  4 peak    77 ! spec=15N, no=77, id=29, vol=1.240000e+06
assign (segid "   B" and resid    3 and name   HN) (segid "   B" and resid    2 and name  HB#) 3.243 1.315 1.315 weight 1.000 spectrum  4 peak    77 ! spec=15N, no=77, id=29, vol=1.240000e+06
assign (segid "   C" and resid    3 and name   HN) (segid "   C" and resid    2 and name  HB#) 3.243 1.315 1.315 weight 1.000 spectrum  4 peak    77 ! spec=15N, no=77, id=29, vol=1.240000e+06
assign (segid "   D" and resid    3 and name   HN) (segid "   D" and resid    2 and name  HB#) 3.243 1.315 1.315 weight 1.000 spectrum  4 peak    77 ! spec=15N, no=77, id=29, vol=1.240000e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB#) 2.653 0.880 0.880 weight 1.000 spectrum  4 peak    80 ! spec=15N, no=80, id=32, vol=4.140000e+06
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name  HB#) 2.653 0.880 0.880 weight 1.000 spectrum  4 peak    80 ! spec=15N, no=80, id=32, vol=4.140000e+06
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    3 and name  HB#) 2.653 0.880 0.880 weight 1.000 spectrum  4 peak    80 ! spec=15N, no=80, id=32, vol=4.140000e+06
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    3 and name  HB#) 2.653 0.880 0.880 weight 1.000 spectrum  4 peak    80 ! spec=15N, no=80, id=32, vol=4.140000e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HB) 2.342 0.686 0.686 weight 1.000 spectrum  4 peak    81 ! spec=15N, no=81, id=33, vol=8.740000e+06
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    4 and name   HB) 2.342 0.686 0.686 weight 1.000 spectrum  4 peak    81 ! spec=15N, no=81, id=33, vol=8.740000e+06
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    4 and name   HB) 2.342 0.686 0.686 weight 1.000 spectrum  4 peak    81 ! spec=15N, no=81, id=33, vol=8.740000e+06
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    4 and name   HB) 2.342 0.686 0.686 weight 1.000 spectrum  4 peak    81 ! spec=15N, no=81, id=33, vol=8.740000e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.141 2.141 3.859 weight 1.000 spectrum  4 peak    84 ! spec=15N, no=84, id=35, vol=1.500000e+07
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    3 and name   HA) 2.141 2.141 3.859 weight 1.000 spectrum  4 peak    84 ! spec=15N, no=84, id=35, vol=1.500000e+07
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    3 and name   HA) 2.141 2.141 3.859 weight 1.000 spectrum  4 peak    84 ! spec=15N, no=84, id=35, vol=1.500000e+07
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    3 and name   HA) 2.141 2.141 3.859 weight 1.000 spectrum  4 peak    84 ! spec=15N, no=84, id=35, vol=1.500000e+07
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    5 and name   HN) 3.356 1.408 1.408 weight 1.000 spectrum  4 peak    89 ! spec=15N, no=89, id=40, vol=1.010000e+06
assign (segid "   B" and resid    4 and name   HN) (segid "   B" and resid    5 and name   HN) 3.356 1.408 1.408 weight 1.000 spectrum  4 peak    89 ! spec=15N, no=89, id=40, vol=1.010000e+06
assign (segid "   C" and resid    4 and name   HN) (segid "   C" and resid    5 and name   HN) 3.356 1.408 1.408 weight 1.000 spectrum  4 peak    89 ! spec=15N, no=89, id=40, vol=1.010000e+06
assign (segid "   D" and resid    4 and name   HN) (segid "   D" and resid    5 and name   HN) 3.356 1.408 1.408 weight 1.000 spectrum  4 peak    89 ! spec=15N, no=89, id=40, vol=1.010000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    9 and name   HN) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak    90 ! spec=15N, no=90, id=41, vol=1.850000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    9 and name   HN) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak    90 ! spec=15N, no=90, id=41, vol=1.850000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    9 and name   HN) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak    90 ! spec=15N, no=90, id=41, vol=1.850000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    9 and name   HN) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak    90 ! spec=15N, no=90, id=41, vol=1.850000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HD#) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak    94 ! spec=15N, no=94, id=45, vol=2.960000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name  HD#) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak    94 ! spec=15N, no=94, id=45, vol=2.960000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name  HD#) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak    94 ! spec=15N, no=94, id=45, vol=2.960000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name  HD#) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak    94 ! spec=15N, no=94, id=45, vol=2.960000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HD#) 4.530 2.565 2.565 weight 1.000 spectrum  4 peak    96 ! spec=15N, no=96, id=47, vol=1.670000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    6 and name  HD#) 4.530 2.565 2.565 weight 1.000 spectrum  4 peak    96 ! spec=15N, no=96, id=47, vol=1.670000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    6 and name  HD#) 4.530 2.565 2.565 weight 1.000 spectrum  4 peak    96 ! spec=15N, no=96, id=47, vol=1.670000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    6 and name  HD#) 4.530 2.565 2.565 weight 1.000 spectrum  4 peak    96 ! spec=15N, no=96, id=47, vol=1.670000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HA) 4.705 2.767 2.767 weight 1.000 spectrum  4 peak    97 ! spec=15N, no=97, id=48, vol=1.330000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    6 and name   HA) 4.705 2.767 2.767 weight 1.000 spectrum  4 peak    97 ! spec=15N, no=97, id=48, vol=1.330000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    6 and name   HA) 4.705 2.767 2.767 weight 1.000 spectrum  4 peak    97 ! spec=15N, no=97, id=48, vol=1.330000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    6 and name   HA) 4.705 2.767 2.767 weight 1.000 spectrum  4 peak    97 ! spec=15N, no=97, id=48, vol=1.330000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    8 and name   HA) 3.832 1.835 1.835 weight 1.000 spectrum  4 peak    98 ! spec=15N, no=98, id=49, vol=4.560000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    8 and name   HA) 3.832 1.835 1.835 weight 1.000 spectrum  4 peak    98 ! spec=15N, no=98, id=49, vol=4.560000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    8 and name   HA) 3.832 1.835 1.835 weight 1.000 spectrum  4 peak    98 ! spec=15N, no=98, id=49, vol=4.560000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    8 and name   HA) 3.832 1.835 1.835 weight 1.000 spectrum  4 peak    98 ! spec=15N, no=98, id=49, vol=4.560000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   10 and name   HA) 3.167 1.254 1.254 weight 1.000 spectrum  4 peak    99 ! spec=15N, no=99, id=50, vol=1.430000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   10 and name   HA) 3.167 1.254 1.254 weight 1.000 spectrum  4 peak    99 ! spec=15N, no=99, id=50, vol=1.430000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   10 and name   HA) 3.167 1.254 1.254 weight 1.000 spectrum  4 peak    99 ! spec=15N, no=99, id=50, vol=1.430000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   10 and name   HA) 3.167 1.254 1.254 weight 1.000 spectrum  4 peak    99 ! spec=15N, no=99, id=50, vol=1.430000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.357 0.695 0.695 weight 1.000 spectrum  4 peak   100 ! spec=15N, no=100, id=51, vol=8.410000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name   HA) 2.357 0.695 0.695 weight 1.000 spectrum  4 peak   100 ! spec=15N, no=100, id=51, vol=8.410000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name   HA) 2.357 0.695 0.695 weight 1.000 spectrum  4 peak   100 ! spec=15N, no=100, id=51, vol=8.410000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    4 and name   HA) 2.357 0.695 0.695 weight 1.000 spectrum  4 peak   100 ! spec=15N, no=100, id=51, vol=8.410000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak   101 ! spec=15N, no=101, id=52, vol=1.750000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    5 and name   HA) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak   101 ! spec=15N, no=101, id=52, vol=1.750000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    5 and name   HA) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak   101 ! spec=15N, no=101, id=52, vol=1.750000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    5 and name   HA) 3.062 1.172 1.172 weight 1.000 spectrum  4 peak   101 ! spec=15N, no=101, id=52, vol=1.750000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HB) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   102 ! spec=15N, no=102, id=53, vol=1.230000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    4 and name   HB) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   102 ! spec=15N, no=102, id=53, vol=1.230000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    4 and name   HB) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   102 ! spec=15N, no=102, id=53, vol=1.230000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    4 and name   HB) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   102 ! spec=15N, no=102, id=53, vol=1.230000e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid   15 and name  HB#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   103 ! spec=15N, no=103, id=54, vol=1.390000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid   15 and name  HB#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   103 ! spec=15N, no=103, id=54, vol=1.390000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid   15 and name  HB#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   103 ! spec=15N, no=103, id=54, vol=1.390000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid   15 and name  HB#) 4.671 2.727 2.727 weight 1.000 spectrum  4 peak   103 ! spec=15N, no=103, id=54, vol=1.390000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   B" and resid    8 and name  HG#) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   106 ! spec=15N, no=106, id=57, vol=1.620000e+06
assign (segid "   B" and resid    5 and name   HN) (segid "   A" and resid    8 and name  HG#) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   106 ! spec=15N, no=106, id=57, vol=1.620000e+06
assign (segid "   C" and resid    5 and name   HN) (segid "   D" and resid    8 and name  HG#) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   106 ! spec=15N, no=106, id=57, vol=1.620000e+06
assign (segid "   D" and resid    5 and name   HN) (segid "   C" and resid    8 and name  HG#) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   106 ! spec=15N, no=106, id=57, vol=1.620000e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   B" and resid   10 and name   HA) 3.527 1.555 1.555 weight 1.000 spectrum  4 peak   112 ! spec=15N, no=112, id=62, vol=7.490000e+05
assign (segid "   B" and resid    4 and name   HN) (segid "   A" and resid   10 and name   HA) 3.527 1.555 1.555 weight 1.000 spectrum  4 peak   112 ! spec=15N, no=112, id=62, vol=7.490000e+05
assign (segid "   C" and resid    4 and name   HN) (segid "   D" and resid   10 and name   HA) 3.527 1.555 1.555 weight 1.000 spectrum  4 peak   112 ! spec=15N, no=112, id=62, vol=7.490000e+05
assign (segid "   D" and resid    4 and name   HN) (segid "   C" and resid   10 and name   HA) 3.527 1.555 1.555 weight 1.000 spectrum  4 peak   112 ! spec=15N, no=112, id=62, vol=7.490000e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name   HN) 3.564 1.588 1.588 weight 1.000 spectrum  4 peak   113 ! spec=15N, no=113, id=63, vol=7.040000e+05
assign (segid "   B" and resid    5 and name   HN) (segid "   B" and resid    6 and name   HN) 3.564 1.588 1.588 weight 1.000 spectrum  4 peak   113 ! spec=15N, no=113, id=63, vol=7.040000e+05
assign (segid "   C" and resid    5 and name   HN) (segid "   C" and resid    6 and name   HN) 3.564 1.588 1.588 weight 1.000 spectrum  4 peak   113 ! spec=15N, no=113, id=63, vol=7.040000e+05
assign (segid "   D" and resid    5 and name   HN) (segid "   D" and resid    6 and name   HN) 3.564 1.588 1.588 weight 1.000 spectrum  4 peak   113 ! spec=15N, no=113, id=63, vol=7.040000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HN) 3.623 1.641 1.641 weight 1.000 spectrum  4 peak   114 ! spec=15N, no=114, id=64, vol=6.380000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    7 and name   HN) 3.623 1.641 1.641 weight 1.000 spectrum  4 peak   114 ! spec=15N, no=114, id=64, vol=6.380000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    7 and name   HN) 3.623 1.641 1.641 weight 1.000 spectrum  4 peak   114 ! spec=15N, no=114, id=64, vol=6.380000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    7 and name   HN) 3.623 1.641 1.641 weight 1.000 spectrum  4 peak   114 ! spec=15N, no=114, id=64, vol=6.380000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.795 1.800 1.800 weight 1.000 spectrum  4 peak   117 ! spec=15N, no=117, id=66, vol=4.830000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.795 1.800 1.800 weight 1.000 spectrum  4 peak   117 ! spec=15N, no=117, id=66, vol=4.830000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.795 1.800 1.800 weight 1.000 spectrum  4 peak   117 ! spec=15N, no=117, id=66, vol=4.830000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.795 1.800 1.800 weight 1.000 spectrum  4 peak   117 ! spec=15N, no=117, id=66, vol=4.830000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   B" and resid    8 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  4 peak   119 ! spec=15N, no=119, id=68, vol=2.730000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   A" and resid    8 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  4 peak   119 ! spec=15N, no=119, id=68, vol=2.730000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   D" and resid    8 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  4 peak   119 ! spec=15N, no=119, id=68, vol=2.730000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   C" and resid    8 and name  HG#) 2.843 2.843 3.157 weight 1.000 spectrum  4 peak   119 ! spec=15N, no=119, id=68, vol=2.730000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   121 ! spec=15N, no=121, id=70, vol=2.140000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HB#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   121 ! spec=15N, no=121, id=70, vol=2.140000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HB#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   121 ! spec=15N, no=121, id=70, vol=2.140000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name  HB#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   121 ! spec=15N, no=121, id=70, vol=2.140000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB#) 2.710 0.918 0.918 weight 1.000 spectrum  4 peak   122 ! spec=15N, no=122, id=71, vol=3.640000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HB#) 2.710 0.918 0.918 weight 1.000 spectrum  4 peak   122 ! spec=15N, no=122, id=71, vol=3.640000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HB#) 2.710 0.918 0.918 weight 1.000 spectrum  4 peak   122 ! spec=15N, no=122, id=71, vol=3.640000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name  HB#) 2.710 0.918 0.918 weight 1.000 spectrum  4 peak   122 ! spec=15N, no=122, id=71, vol=3.640000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  4 peak   124 ! spec=15N, no=124, id=73, vol=9.600000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  4 peak   124 ! spec=15N, no=124, id=73, vol=9.600000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  4 peak   124 ! spec=15N, no=124, id=73, vol=9.600000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    5 and name   HA) 2.306 0.665 0.665 weight 1.000 spectrum  4 peak   124 ! spec=15N, no=124, id=73, vol=9.600000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  4 peak   125 ! spec=15N, no=125, id=74, vol=2.010000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  4 peak   125 ! spec=15N, no=125, id=74, vol=2.010000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  4 peak   125 ! spec=15N, no=125, id=74, vol=2.010000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name   HA) 2.992 1.119 1.119 weight 1.000 spectrum  4 peak   125 ! spec=15N, no=125, id=74, vol=2.010000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   B" and resid    8 and name   HA) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   126 ! spec=15N, no=126, id=75, vol=3.250000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   A" and resid    8 and name   HA) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   126 ! spec=15N, no=126, id=75, vol=3.250000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   D" and resid    8 and name   HA) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   126 ! spec=15N, no=126, id=75, vol=3.250000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   C" and resid    8 and name   HA) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   126 ! spec=15N, no=126, id=75, vol=3.250000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HA) 4.276 2.286 2.286 weight 1.000 spectrum  4 peak   127 ! spec=15N, no=127, id=76, vol=2.360000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    7 and name   HA) 4.276 2.286 2.286 weight 1.000 spectrum  4 peak   127 ! spec=15N, no=127, id=76, vol=2.360000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    7 and name   HA) 4.276 2.286 2.286 weight 1.000 spectrum  4 peak   127 ! spec=15N, no=127, id=76, vol=2.360000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    7 and name   HA) 4.276 2.286 2.286 weight 1.000 spectrum  4 peak   127 ! spec=15N, no=127, id=76, vol=2.360000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HA) 4.418 2.440 2.440 weight 1.000 spectrum  4 peak   128 ! spec=15N, no=128, id=77, vol=1.940000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    4 and name   HA) 4.418 2.440 2.440 weight 1.000 spectrum  4 peak   128 ! spec=15N, no=128, id=77, vol=1.940000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    4 and name   HA) 4.418 2.440 2.440 weight 1.000 spectrum  4 peak   128 ! spec=15N, no=128, id=77, vol=1.940000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    4 and name   HA) 4.418 2.440 2.440 weight 1.000 spectrum  4 peak   128 ! spec=15N, no=128, id=77, vol=1.940000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HD#) 3.270 1.337 1.337 weight 1.000 spectrum  4 peak   130 ! spec=15N, no=130, id=79, vol=1.180000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    5 and name  HD#) 3.270 1.337 1.337 weight 1.000 spectrum  4 peak   130 ! spec=15N, no=130, id=79, vol=1.180000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    5 and name  HD#) 3.270 1.337 1.337 weight 1.000 spectrum  4 peak   130 ! spec=15N, no=130, id=79, vol=1.180000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    5 and name  HD#) 3.270 1.337 1.337 weight 1.000 spectrum  4 peak   130 ! spec=15N, no=130, id=79, vol=1.180000e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   B" and resid   15 and name   HZ) 4.317 2.329 2.329 weight 1.000 spectrum  4 peak   131 ! spec=15N, no=131, id=80, vol=2.230000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   A" and resid   15 and name   HZ) 4.317 2.329 2.329 weight 1.000 spectrum  4 peak   131 ! spec=15N, no=131, id=80, vol=2.230000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   D" and resid   15 and name   HZ) 4.317 2.329 2.329 weight 1.000 spectrum  4 peak   131 ! spec=15N, no=131, id=80, vol=2.230000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   C" and resid   15 and name   HZ) 4.317 2.329 2.329 weight 1.000 spectrum  4 peak   131 ! spec=15N, no=131, id=80, vol=2.230000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   B" and resid   15 and name  HE#) 3.702 1.713 1.713 weight 1.000 spectrum  4 peak   132 ! spec=15N, no=132, id=81, vol=5.610000e+05
assign (segid "   B" and resid    6 and name   HN) (segid "   A" and resid   15 and name  HE#) 3.702 1.713 1.713 weight 1.000 spectrum  4 peak   132 ! spec=15N, no=132, id=81, vol=5.610000e+05
assign (segid "   C" and resid    6 and name   HN) (segid "   D" and resid   15 and name  HE#) 3.702 1.713 1.713 weight 1.000 spectrum  4 peak   132 ! spec=15N, no=132, id=81, vol=5.610000e+05
assign (segid "   D" and resid    6 and name   HN) (segid "   C" and resid   15 and name  HE#) 3.702 1.713 1.713 weight 1.000 spectrum  4 peak   132 ! spec=15N, no=132, id=81, vol=5.610000e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HD#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   133 ! spec=15N, no=133, id=82, vol=2.140000e+06
assign (segid "   B" and resid    6 and name   HN) (segid "   B" and resid    6 and name  HD#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   133 ! spec=15N, no=133, id=82, vol=2.140000e+06
assign (segid "   C" and resid    6 and name   HN) (segid "   C" and resid    6 and name  HD#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   133 ! spec=15N, no=133, id=82, vol=2.140000e+06
assign (segid "   D" and resid    6 and name   HN) (segid "   D" and resid    6 and name  HD#) 2.961 1.096 1.096 weight 1.000 spectrum  4 peak   133 ! spec=15N, no=133, id=82, vol=2.140000e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    6 and name  HD#) 3.875 1.877 1.877 weight 1.000 spectrum  4 peak   152 ! spec=15N, no=152, id=99, vol=4.260000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HD#) 3.875 1.877 1.877 weight 1.000 spectrum  4 peak   152 ! spec=15N, no=152, id=99, vol=4.260000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    6 and name  HD#) 3.875 1.877 1.877 weight 1.000 spectrum  4 peak   152 ! spec=15N, no=152, id=99, vol=4.260000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    6 and name  HD#) 3.875 1.877 1.877 weight 1.000 spectrum  4 peak   152 ! spec=15N, no=152, id=99, vol=4.260000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HN) 3.660 1.675 1.675 weight 1.000 spectrum  4 peak   154 ! spec=15N, no=154, id=101, vol=6.000000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    9 and name   HN) 3.660 1.675 1.675 weight 1.000 spectrum  4 peak   154 ! spec=15N, no=154, id=101, vol=6.000000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    9 and name   HN) 3.660 1.675 1.675 weight 1.000 spectrum  4 peak   154 ! spec=15N, no=154, id=101, vol=6.000000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    9 and name   HN) 3.660 1.675 1.675 weight 1.000 spectrum  4 peak   154 ! spec=15N, no=154, id=101, vol=6.000000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    6 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  4 peak   155 ! spec=15N, no=155, id=102, vol=4.900000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    6 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  4 peak   155 ! spec=15N, no=155, id=102, vol=4.900000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    6 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  4 peak   155 ! spec=15N, no=155, id=102, vol=4.900000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    6 and name   HA) 3.786 1.792 1.792 weight 1.000 spectrum  4 peak   155 ! spec=15N, no=155, id=102, vol=4.900000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.893 1.046 1.046 weight 1.000 spectrum  4 peak   156 ! spec=15N, no=156, id=103, vol=2.460000e+06
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    8 and name   HA) 2.893 1.046 1.046 weight 1.000 spectrum  4 peak   156 ! spec=15N, no=156, id=103, vol=2.460000e+06
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    8 and name   HA) 2.893 1.046 1.046 weight 1.000 spectrum  4 peak   156 ! spec=15N, no=156, id=103, vol=2.460000e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    8 and name   HA) 2.893 1.046 1.046 weight 1.000 spectrum  4 peak   156 ! spec=15N, no=156, id=103, vol=2.460000e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   157 ! spec=15N, no=157, id=104, vol=1.230000e+07
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    7 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   157 ! spec=15N, no=157, id=104, vol=1.230000e+07
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    7 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   157 ! spec=15N, no=157, id=104, vol=1.230000e+07
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    7 and name   HA) 2.213 0.612 0.612 weight 1.000 spectrum  4 peak   157 ! spec=15N, no=157, id=104, vol=1.230000e+07
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    9 and name   HA) 4.197 2.202 2.202 weight 1.000 spectrum  4 peak   158 ! spec=15N, no=158, id=105, vol=2.640000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   B" and resid    9 and name   HA) 4.197 2.202 2.202 weight 1.000 spectrum  4 peak   158 ! spec=15N, no=158, id=105, vol=2.640000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   C" and resid    9 and name   HA) 4.197 2.202 2.202 weight 1.000 spectrum  4 peak   158 ! spec=15N, no=158, id=105, vol=2.640000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   D" and resid    9 and name   HA) 4.197 2.202 2.202 weight 1.000 spectrum  4 peak   158 ! spec=15N, no=158, id=105, vol=2.640000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   22 and name  HE#) 3.686 1.699 1.699 weight 1.000 spectrum  4 peak   159 ! spec=15N, no=159, id=106, vol=5.750000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   22 and name  HE#) 3.686 1.699 1.699 weight 1.000 spectrum  4 peak   159 ! spec=15N, no=159, id=106, vol=5.750000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   22 and name  HE#) 3.686 1.699 1.699 weight 1.000 spectrum  4 peak   159 ! spec=15N, no=159, id=106, vol=5.750000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   22 and name  HE#) 3.686 1.699 1.699 weight 1.000 spectrum  4 peak   159 ! spec=15N, no=159, id=106, vol=5.750000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid   22 and name  HE#) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   160 ! spec=15N, no=160, id=107, vol=3.250000e+05
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid   22 and name  HE#) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   160 ! spec=15N, no=160, id=107, vol=3.250000e+05
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid   22 and name  HE#) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   160 ! spec=15N, no=160, id=107, vol=3.250000e+05
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid   22 and name  HE#) 4.054 2.054 2.054 weight 1.000 spectrum  4 peak   160 ! spec=15N, no=160, id=107, vol=3.250000e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.132 1.226 1.667 weight 1.000 spectrum  4 peak   166 ! spec=15N, no=166, id=112, vol=1.530000e+06
assign (segid "   B" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.132 1.226 1.667 weight 1.000 spectrum  4 peak   166 ! spec=15N, no=166, id=112, vol=1.530000e+06
assign (segid "   C" and resid    8 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.132 1.226 1.667 weight 1.000 spectrum  4 peak   166 ! spec=15N, no=166, id=112, vol=1.530000e+06
assign (segid "   D" and resid    8 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.132 1.226 1.667 weight 1.000 spectrum  4 peak   166 ! spec=15N, no=166, id=112, vol=1.530000e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid   10 and name   HN) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   167 ! spec=15N, no=167, id=113, vol=1.230000e+06
assign (segid "   B" and resid    9 and name   HN) (segid "   B" and resid   10 and name   HN) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   167 ! spec=15N, no=167, id=113, vol=1.230000e+06
assign (segid "   C" and resid    9 and name   HN) (segid "   C" and resid   10 and name   HN) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   167 ! spec=15N, no=167, id=113, vol=1.230000e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   D" and resid   10 and name   HN) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   167 ! spec=15N, no=167, id=113, vol=1.230000e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    5 and name   HN) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   168 ! spec=15N, no=168, id=114, vol=1.880000e+06
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    5 and name   HN) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   168 ! spec=15N, no=168, id=114, vol=1.880000e+06
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    5 and name   HN) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   168 ! spec=15N, no=168, id=114, vol=1.880000e+06
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    5 and name   HN) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   168 ! spec=15N, no=168, id=114, vol=1.880000e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    6 and name  HD#) 4.247 2.254 2.254 weight 1.000 spectrum  4 peak   170 ! spec=15N, no=170, id=116, vol=2.460000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    6 and name  HD#) 4.247 2.254 2.254 weight 1.000 spectrum  4 peak   170 ! spec=15N, no=170, id=116, vol=2.460000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    6 and name  HD#) 4.247 2.254 2.254 weight 1.000 spectrum  4 peak   170 ! spec=15N, no=170, id=116, vol=2.460000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    6 and name  HD#) 4.247 2.254 2.254 weight 1.000 spectrum  4 peak   170 ! spec=15N, no=170, id=116, vol=2.460000e+05
assign (segid "   A" and resid    9 and name   HN) (segid "   B" and resid    5 and name  HD#) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   172 ! spec=15N, no=172, id=118, vol=3.500000e+05
assign (segid "   B" and resid    9 and name   HN) (segid "   A" and resid    5 and name  HD#) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   172 ! spec=15N, no=172, id=118, vol=3.500000e+05
assign (segid "   C" and resid    9 and name   HN) (segid "   D" and resid    5 and name  HD#) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   172 ! spec=15N, no=172, id=118, vol=3.500000e+05
assign (segid "   D" and resid    9 and name   HN) (segid "   C" and resid    5 and name  HD#) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   172 ! spec=15N, no=172, id=118, vol=3.500000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    9 and name   HA) 2.425 0.735 0.735 weight 1.000 spectrum  4 peak   186 ! spec=15N, no=186, id=131, vol=7.100000e+06
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    9 and name   HA) 2.425 0.735 0.735 weight 1.000 spectrum  4 peak   186 ! spec=15N, no=186, id=131, vol=7.100000e+06
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    9 and name   HA) 2.425 0.735 0.735 weight 1.000 spectrum  4 peak   186 ! spec=15N, no=186, id=131, vol=7.100000e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    9 and name   HA) 2.425 0.735 0.735 weight 1.000 spectrum  4 peak   186 ! spec=15N, no=186, id=131, vol=7.100000e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   187 ! spec=15N, no=187, id=132, vol=1.330000e+06
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   10 and name   HA) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   187 ! spec=15N, no=187, id=132, vol=1.330000e+06
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   10 and name   HA) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   187 ! spec=15N, no=187, id=132, vol=1.330000e+06
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   10 and name   HA) 3.206 1.284 1.284 weight 1.000 spectrum  4 peak   187 ! spec=15N, no=187, id=132, vol=1.330000e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid    8 and name   HA) 4.760 2.833 2.833 weight 1.000 spectrum  4 peak   188 ! spec=15N, no=188, id=133, vol=1.240000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid    8 and name   HA) 4.760 2.833 2.833 weight 1.000 spectrum  4 peak   188 ! spec=15N, no=188, id=133, vol=1.240000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid    8 and name   HA) 4.760 2.833 2.833 weight 1.000 spectrum  4 peak   188 ! spec=15N, no=188, id=133, vol=1.240000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid    8 and name   HA) 4.760 2.833 2.833 weight 1.000 spectrum  4 peak   188 ! spec=15N, no=188, id=133, vol=1.240000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.999 1.999 1.999 weight 1.000 spectrum  4 peak   191 ! spec=15N, no=191, id=134, vol=3.530000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.999 1.999 1.999 weight 1.000 spectrum  4 peak   191 ! spec=15N, no=191, id=134, vol=3.530000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.999 1.999 1.999 weight 1.000 spectrum  4 peak   191 ! spec=15N, no=191, id=134, vol=3.530000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.999 1.999 1.999 weight 1.000 spectrum  4 peak   191 ! spec=15N, no=191, id=134, vol=3.530000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   B" and resid   26 and name  HG#) 3.765 1.771 1.771 weight 1.000 spectrum  4 peak   196 ! spec=15N, no=196, id=139, vol=5.070000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   A" and resid   26 and name  HG#) 3.765 1.771 1.771 weight 1.000 spectrum  4 peak   196 ! spec=15N, no=196, id=139, vol=5.070000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   D" and resid   26 and name  HG#) 3.765 1.771 1.771 weight 1.000 spectrum  4 peak   196 ! spec=15N, no=196, id=139, vol=5.070000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   C" and resid   26 and name  HG#) 3.765 1.771 1.771 weight 1.000 spectrum  4 peak   196 ! spec=15N, no=196, id=139, vol=5.070000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   B" and resid   26 and name  HG#) 4.067 2.067 2.067 weight 1.000 spectrum  4 peak   198 ! spec=15N, no=198, id=141, vol=3.190000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   A" and resid   26 and name  HG#) 4.067 2.067 2.067 weight 1.000 spectrum  4 peak   198 ! spec=15N, no=198, id=141, vol=3.190000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   D" and resid   26 and name  HG#) 4.067 2.067 2.067 weight 1.000 spectrum  4 peak   198 ! spec=15N, no=198, id=141, vol=3.190000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   C" and resid   26 and name  HG#) 4.067 2.067 2.067 weight 1.000 spectrum  4 peak   198 ! spec=15N, no=198, id=141, vol=3.190000e+05
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 3.645 1.661 1.661 weight 1.000 spectrum  4 peak   200 ! spec=15N, no=200, id=143, vol=6.150000e+05
assign (segid "   B" and resid   10 and name   HN) (segid "   B" and resid   11 and name   HN) 3.645 1.661 1.661 weight 1.000 spectrum  4 peak   200 ! spec=15N, no=200, id=143, vol=6.150000e+05
assign (segid "   C" and resid   10 and name   HN) (segid "   C" and resid   11 and name   HN) 3.645 1.661 1.661 weight 1.000 spectrum  4 peak   200 ! spec=15N, no=200, id=143, vol=6.150000e+05
assign (segid "   D" and resid   10 and name   HN) (segid "   D" and resid   11 and name   HN) 3.645 1.661 1.661 weight 1.000 spectrum  4 peak   200 ! spec=15N, no=200, id=143, vol=6.150000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.350 0.690 0.690 weight 1.000 spectrum  4 peak   204 ! spec=15N, no=204, id=146, vol=8.570000e+06
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name   HA) 2.350 0.690 0.690 weight 1.000 spectrum  4 peak   204 ! spec=15N, no=204, id=146, vol=8.570000e+06
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name   HA) 2.350 0.690 0.690 weight 1.000 spectrum  4 peak   204 ! spec=15N, no=204, id=146, vol=8.570000e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name   HA) 2.350 0.690 0.690 weight 1.000 spectrum  4 peak   204 ! spec=15N, no=204, id=146, vol=8.570000e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   B" and resid    3 and name   HA) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   206 ! spec=15N, no=206, id=147, vol=1.840000e+06
assign (segid "   B" and resid   11 and name   HN) (segid "   A" and resid    3 and name   HA) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   206 ! spec=15N, no=206, id=147, vol=1.840000e+06
assign (segid "   C" and resid   11 and name   HN) (segid "   D" and resid    3 and name   HA) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   206 ! spec=15N, no=206, id=147, vol=1.840000e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   C" and resid    3 and name   HA) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   206 ! spec=15N, no=206, id=147, vol=1.840000e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HA#) 2.708 0.917 0.917 weight 1.000 spectrum  4 peak   207 ! spec=15N, no=207, id=148, vol=3.660000e+06
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   11 and name  HA#) 2.708 0.917 0.917 weight 1.000 spectrum  4 peak   207 ! spec=15N, no=207, id=148, vol=3.660000e+06
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   11 and name  HA#) 2.708 0.917 0.917 weight 1.000 spectrum  4 peak   207 ! spec=15N, no=207, id=148, vol=3.660000e+06
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   11 and name  HA#) 2.708 0.917 0.917 weight 1.000 spectrum  4 peak   207 ! spec=15N, no=207, id=148, vol=3.660000e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   B" and resid    3 and name  HB#) 3.580 1.602 1.602 weight 1.000 spectrum  4 peak   208 ! spec=15N, no=208, id=149, vol=6.850000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   A" and resid    3 and name  HB#) 3.580 1.602 1.602 weight 1.000 spectrum  4 peak   208 ! spec=15N, no=208, id=149, vol=6.850000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   D" and resid    3 and name  HB#) 3.580 1.602 1.602 weight 1.000 spectrum  4 peak   208 ! spec=15N, no=208, id=149, vol=6.850000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   C" and resid    3 and name  HB#) 3.580 1.602 1.602 weight 1.000 spectrum  4 peak   208 ! spec=15N, no=208, id=149, vol=6.850000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   B" and resid    4 and name HG2#) 3.866 1.869 1.869 weight 1.000 spectrum  4 peak   213 ! spec=15N, no=213, id=153, vol=4.320000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   A" and resid    4 and name HG2#) 3.866 1.869 1.869 weight 1.000 spectrum  4 peak   213 ! spec=15N, no=213, id=153, vol=4.320000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   D" and resid    4 and name HG2#) 3.866 1.869 1.869 weight 1.000 spectrum  4 peak   213 ! spec=15N, no=213, id=153, vol=4.320000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   C" and resid    4 and name HG2#) 3.866 1.869 1.869 weight 1.000 spectrum  4 peak   213 ! spec=15N, no=213, id=153, vol=4.320000e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HD#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   214 ! spec=15N, no=214, id=154, vol=2.300000e+05
assign (segid "   B" and resid   11 and name   HN) (segid "   B" and resid   10 and name  HD#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   214 ! spec=15N, no=214, id=154, vol=2.300000e+05
assign (segid "   C" and resid   11 and name   HN) (segid "   C" and resid   10 and name  HD#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   214 ! spec=15N, no=214, id=154, vol=2.300000e+05
assign (segid "   D" and resid   11 and name   HN) (segid "   D" and resid   10 and name  HD#) 4.295 2.305 2.305 weight 1.000 spectrum  4 peak   214 ! spec=15N, no=214, id=154, vol=2.300000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   B" and resid    5 and name  HE#) 3.115 1.213 1.213 weight 1.000 spectrum  4 peak   215 ! spec=15N, no=215, id=155, vol=1.580000e+06
assign (segid "   B" and resid   12 and name   HN) (segid "   A" and resid    5 and name  HE#) 3.115 1.213 1.213 weight 1.000 spectrum  4 peak   215 ! spec=15N, no=215, id=155, vol=1.580000e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   D" and resid    5 and name  HE#) 3.115 1.213 1.213 weight 1.000 spectrum  4 peak   215 ! spec=15N, no=215, id=155, vol=1.580000e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   C" and resid    5 and name  HE#) 3.115 1.213 1.213 weight 1.000 spectrum  4 peak   215 ! spec=15N, no=215, id=155, vol=1.580000e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HA#) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   217 ! spec=15N, no=217, id=156, vol=4.250000e+06
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   11 and name  HA#) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   217 ! spec=15N, no=217, id=156, vol=4.250000e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   11 and name  HA#) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   217 ! spec=15N, no=217, id=156, vol=4.250000e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   11 and name  HA#) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   217 ! spec=15N, no=217, id=156, vol=4.250000e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.966 1.100 1.100 weight 1.000 spectrum  4 peak   218 ! spec=15N, no=218, id=157, vol=2.120000e+06
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name   HA) 2.966 1.100 1.100 weight 1.000 spectrum  4 peak   218 ! spec=15N, no=218, id=157, vol=2.120000e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name   HA) 2.966 1.100 1.100 weight 1.000 spectrum  4 peak   218 ! spec=15N, no=218, id=157, vol=2.120000e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name   HA) 2.966 1.100 1.100 weight 1.000 spectrum  4 peak   218 ! spec=15N, no=218, id=157, vol=2.120000e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HD#) 3.926 1.927 1.927 weight 1.000 spectrum  4 peak   219 ! spec=15N, no=219, id=158, vol=3.940000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   12 and name  HD#) 3.926 1.927 1.927 weight 1.000 spectrum  4 peak   219 ! spec=15N, no=219, id=158, vol=3.940000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   12 and name  HD#) 3.926 1.927 1.927 weight 1.000 spectrum  4 peak   219 ! spec=15N, no=219, id=158, vol=3.940000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   12 and name  HD#) 3.926 1.927 1.927 weight 1.000 spectrum  4 peak   219 ! spec=15N, no=219, id=158, vol=3.940000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   15 and name  HB#) 4.219 2.225 2.225 weight 1.000 spectrum  4 peak   220 ! spec=15N, no=220, id=159, vol=2.560000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   15 and name  HB#) 4.219 2.225 2.225 weight 1.000 spectrum  4 peak   220 ! spec=15N, no=220, id=159, vol=2.560000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   15 and name  HB#) 4.219 2.225 2.225 weight 1.000 spectrum  4 peak   220 ! spec=15N, no=220, id=159, vol=2.560000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   15 and name  HB#) 4.219 2.225 2.225 weight 1.000 spectrum  4 peak   220 ! spec=15N, no=220, id=159, vol=2.560000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   15 and name  HB#) 3.920 1.920 1.920 weight 1.000 spectrum  4 peak   221 ! spec=15N, no=221, id=160, vol=3.980000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   15 and name  HB#) 3.920 1.920 1.920 weight 1.000 spectrum  4 peak   221 ! spec=15N, no=221, id=160, vol=3.980000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   15 and name  HB#) 3.920 1.920 1.920 weight 1.000 spectrum  4 peak   221 ! spec=15N, no=221, id=160, vol=3.980000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   15 and name  HB#) 3.920 1.920 1.920 weight 1.000 spectrum  4 peak   221 ! spec=15N, no=221, id=160, vol=3.980000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   B" and resid    2 and name  HG#) 4.258 2.267 2.267 weight 1.000 spectrum  4 peak   222 ! spec=15N, no=222, id=161, vol=2.420000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   A" and resid    2 and name  HG#) 4.258 2.267 2.267 weight 1.000 spectrum  4 peak   222 ! spec=15N, no=222, id=161, vol=2.420000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   D" and resid    2 and name  HG#) 4.258 2.267 2.267 weight 1.000 spectrum  4 peak   222 ! spec=15N, no=222, id=161, vol=2.420000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   C" and resid    2 and name  HG#) 4.258 2.267 2.267 weight 1.000 spectrum  4 peak   222 ! spec=15N, no=222, id=161, vol=2.420000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   14 and name   HN) 4.200 2.205 2.205 weight 1.000 spectrum  4 peak   227 ! spec=15N, no=227, id=166, vol=2.630000e+05
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   14 and name   HN) 4.200 2.205 2.205 weight 1.000 spectrum  4 peak   227 ! spec=15N, no=227, id=166, vol=2.630000e+05
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   14 and name   HN) 4.200 2.205 2.205 weight 1.000 spectrum  4 peak   227 ! spec=15N, no=227, id=166, vol=2.630000e+05
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   14 and name   HN) 4.200 2.205 2.205 weight 1.000 spectrum  4 peak   227 ! spec=15N, no=227, id=166, vol=2.630000e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name   HN) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   229 ! spec=15N, no=229, id=168, vol=2.690000e+06
assign (segid "   B" and resid   12 and name   HN) (segid "   B" and resid   13 and name   HN) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   229 ! spec=15N, no=229, id=168, vol=2.690000e+06
assign (segid "   C" and resid   12 and name   HN) (segid "   C" and resid   13 and name   HN) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   229 ! spec=15N, no=229, id=168, vol=2.690000e+06
assign (segid "   D" and resid   12 and name   HN) (segid "   D" and resid   13 and name   HN) 2.850 1.016 1.016 weight 1.000 spectrum  4 peak   229 ! spec=15N, no=229, id=168, vol=2.690000e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name  HG#) 2.761 0.953 1.231 weight 1.000 spectrum  4 peak   231 ! spec=15N, no=231, id=170, vol=3.260000e+06
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   13 and name  HG#) 2.761 0.953 1.231 weight 1.000 spectrum  4 peak   231 ! spec=15N, no=231, id=170, vol=3.260000e+06
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name  HG#) 2.761 0.953 1.231 weight 1.000 spectrum  4 peak   231 ! spec=15N, no=231, id=170, vol=3.260000e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name  HG#) 2.761 0.953 1.231 weight 1.000 spectrum  4 peak   231 ! spec=15N, no=231, id=170, vol=3.260000e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HD#) 3.943 1.943 1.943 weight 1.000 spectrum  4 peak   236 ! spec=15N, no=236, id=175, vol=3.840000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name  HD#) 3.943 1.943 1.943 weight 1.000 spectrum  4 peak   236 ! spec=15N, no=236, id=175, vol=3.840000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name  HD#) 3.943 1.943 1.943 weight 1.000 spectrum  4 peak   236 ! spec=15N, no=236, id=175, vol=3.840000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name  HD#) 3.943 1.943 1.943 weight 1.000 spectrum  4 peak   236 ! spec=15N, no=236, id=175, vol=3.840000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB#) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   237 ! spec=15N, no=237, id=176, vol=3.900000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   14 and name  HB#) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   237 ! spec=15N, no=237, id=176, vol=3.900000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   14 and name  HB#) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   237 ! spec=15N, no=237, id=176, vol=3.900000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   14 and name  HB#) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   237 ! spec=15N, no=237, id=176, vol=3.900000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   238 ! spec=15N, no=238, id=177, vol=1.230000e+06
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   12 and name   HA) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   238 ! spec=15N, no=238, id=177, vol=1.230000e+06
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   12 and name   HA) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   238 ! spec=15N, no=238, id=177, vol=1.230000e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   12 and name   HA) 3.248 1.318 1.318 weight 1.000 spectrum  4 peak   238 ! spec=15N, no=238, id=177, vol=1.230000e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  4 peak   239 ! spec=15N, no=239, id=178, vol=4.630000e+06
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   13 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  4 peak   239 ! spec=15N, no=239, id=178, vol=4.630000e+06
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   13 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  4 peak   239 ! spec=15N, no=239, id=178, vol=4.630000e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   13 and name   HA) 2.604 0.848 0.848 weight 1.000 spectrum  4 peak   239 ! spec=15N, no=239, id=178, vol=4.630000e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HA) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   240 ! spec=15N, no=240, id=179, vol=3.500000e+05
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   14 and name   HA) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   240 ! spec=15N, no=240, id=179, vol=3.500000e+05
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   14 and name   HA) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   240 ! spec=15N, no=240, id=179, vol=3.500000e+05
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   14 and name   HA) 4.004 2.004 2.004 weight 1.000 spectrum  4 peak   240 ! spec=15N, no=240, id=179, vol=3.500000e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name   HN) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   241 ! spec=15N, no=241, id=180, vol=4.250000e+06
assign (segid "   B" and resid   13 and name   HN) (segid "   B" and resid   14 and name   HN) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   241 ! spec=15N, no=241, id=180, vol=4.250000e+06
assign (segid "   C" and resid   13 and name   HN) (segid "   C" and resid   14 and name   HN) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   241 ! spec=15N, no=241, id=180, vol=4.250000e+06
assign (segid "   D" and resid   13 and name   HN) (segid "   D" and resid   14 and name   HN) 2.641 0.872 0.872 weight 1.000 spectrum  4 peak   241 ! spec=15N, no=241, id=180, vol=4.250000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 2.586 0.836 0.836 weight 1.000 spectrum  4 peak   243 ! spec=15N, no=243, id=182, vol=4.830000e+06
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   15 and name   HN) 2.586 0.836 0.836 weight 1.000 spectrum  4 peak   243 ! spec=15N, no=243, id=182, vol=4.830000e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name   HN) 2.586 0.836 0.836 weight 1.000 spectrum  4 peak   243 ! spec=15N, no=243, id=182, vol=4.830000e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   15 and name   HN) 2.586 0.836 0.836 weight 1.000 spectrum  4 peak   243 ! spec=15N, no=243, id=182, vol=4.830000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name   HN) 3.700 1.712 1.712 weight 1.000 spectrum  4 peak   244 ! spec=15N, no=244, id=183, vol=5.620000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   16 and name   HN) 3.700 1.712 1.712 weight 1.000 spectrum  4 peak   244 ! spec=15N, no=244, id=183, vol=5.620000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   16 and name   HN) 3.700 1.712 1.712 weight 1.000 spectrum  4 peak   244 ! spec=15N, no=244, id=183, vol=5.620000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   16 and name   HN) 3.700 1.712 1.712 weight 1.000 spectrum  4 peak   244 ! spec=15N, no=244, id=183, vol=5.620000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name   HN) 3.294 1.356 1.522 weight 1.000 spectrum  4 peak   245 ! spec=15N, no=245, id=184, vol=1.130000e+06
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name   HN) 3.294 1.356 1.522 weight 1.000 spectrum  4 peak   245 ! spec=15N, no=245, id=184, vol=1.130000e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name   HN) 3.294 1.356 1.522 weight 1.000 spectrum  4 peak   245 ! spec=15N, no=245, id=184, vol=1.130000e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name   HN) 3.294 1.356 1.522 weight 1.000 spectrum  4 peak   245 ! spec=15N, no=245, id=184, vol=1.130000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name   HA) 2.740 0.938 0.938 weight 1.000 spectrum  4 peak   246 ! spec=15N, no=246, id=185, vol=3.410000e+06
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name   HA) 2.740 0.938 0.938 weight 1.000 spectrum  4 peak   246 ! spec=15N, no=246, id=185, vol=3.410000e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name   HA) 2.740 0.938 0.938 weight 1.000 spectrum  4 peak   246 ! spec=15N, no=246, id=185, vol=3.410000e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name   HA) 2.740 0.938 0.938 weight 1.000 spectrum  4 peak   246 ! spec=15N, no=246, id=185, vol=3.410000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   11 and name  HA#) 3.477 1.512 1.512 weight 1.000 spectrum  4 peak   248 ! spec=15N, no=248, id=187, vol=8.160000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   11 and name  HA#) 3.477 1.512 1.512 weight 1.000 spectrum  4 peak   248 ! spec=15N, no=248, id=187, vol=8.160000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   11 and name  HA#) 3.477 1.512 1.512 weight 1.000 spectrum  4 peak   248 ! spec=15N, no=248, id=187, vol=8.160000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   11 and name  HA#) 3.477 1.512 1.512 weight 1.000 spectrum  4 peak   248 ! spec=15N, no=248, id=187, vol=8.160000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HA) 3.747 1.755 1.755 weight 1.000 spectrum  4 peak   249 ! spec=15N, no=249, id=188, vol=5.210000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   12 and name   HA) 3.747 1.755 1.755 weight 1.000 spectrum  4 peak   249 ! spec=15N, no=249, id=188, vol=5.210000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   12 and name   HA) 3.747 1.755 1.755 weight 1.000 spectrum  4 peak   249 ! spec=15N, no=249, id=188, vol=5.210000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   12 and name   HA) 3.747 1.755 1.755 weight 1.000 spectrum  4 peak   249 ! spec=15N, no=249, id=188, vol=5.210000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   250 ! spec=15N, no=250, id=189, vol=3.730000e+06
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   250 ! spec=15N, no=250, id=189, vol=3.730000e+06
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   250 ! spec=15N, no=250, id=189, vol=3.730000e+06
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   250 ! spec=15N, no=250, id=189, vol=3.730000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB#) 3.602 1.622 1.622 weight 1.000 spectrum  4 peak   251 ! spec=15N, no=251, id=190, vol=6.610000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   15 and name  HB#) 3.602 1.622 1.622 weight 1.000 spectrum  4 peak   251 ! spec=15N, no=251, id=190, vol=6.610000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name  HB#) 3.602 1.622 1.622 weight 1.000 spectrum  4 peak   251 ! spec=15N, no=251, id=190, vol=6.610000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   15 and name  HB#) 3.602 1.622 1.622 weight 1.000 spectrum  4 peak   251 ! spec=15N, no=251, id=190, vol=6.610000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB#) 3.763 1.770 1.770 weight 1.000 spectrum  4 peak   252 ! spec=15N, no=252, id=191, vol=5.080000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   15 and name  HB#) 3.763 1.770 1.770 weight 1.000 spectrum  4 peak   252 ! spec=15N, no=252, id=191, vol=5.080000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   15 and name  HB#) 3.763 1.770 1.770 weight 1.000 spectrum  4 peak   252 ! spec=15N, no=252, id=191, vol=5.080000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   15 and name  HB#) 3.763 1.770 1.770 weight 1.000 spectrum  4 peak   252 ! spec=15N, no=252, id=191, vol=5.080000e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB#) 3.149 1.239 1.239 weight 1.000 spectrum  4 peak   257 ! spec=15N, no=257, id=195, vol=1.480000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   14 and name  HB#) 3.149 1.239 1.239 weight 1.000 spectrum  4 peak   257 ! spec=15N, no=257, id=195, vol=1.480000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HB#) 3.149 1.239 1.239 weight 1.000 spectrum  4 peak   257 ! spec=15N, no=257, id=195, vol=1.480000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name  HB#) 3.149 1.239 1.239 weight 1.000 spectrum  4 peak   257 ! spec=15N, no=257, id=195, vol=1.480000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB#) 3.000 1.125 1.125 weight 1.000 spectrum  4 peak   259 ! spec=15N, no=259, id=197, vol=1.980000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   14 and name  HB#) 3.000 1.125 1.125 weight 1.000 spectrum  4 peak   259 ! spec=15N, no=259, id=197, vol=1.980000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name  HB#) 3.000 1.125 1.125 weight 1.000 spectrum  4 peak   259 ! spec=15N, no=259, id=197, vol=1.980000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name  HB#) 3.000 1.125 1.125 weight 1.000 spectrum  4 peak   259 ! spec=15N, no=259, id=197, vol=1.980000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB#) 2.668 0.890 0.890 weight 1.000 spectrum  4 peak   260 ! spec=15N, no=260, id=198, vol=4.000000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   15 and name  HB#) 2.668 0.890 0.890 weight 1.000 spectrum  4 peak   260 ! spec=15N, no=260, id=198, vol=4.000000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB#) 2.668 0.890 0.890 weight 1.000 spectrum  4 peak   260 ! spec=15N, no=260, id=198, vol=4.000000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HB#) 2.668 0.890 0.890 weight 1.000 spectrum  4 peak   260 ! spec=15N, no=260, id=198, vol=4.000000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB#) 2.705 0.915 0.915 weight 1.000 spectrum  4 peak   261 ! spec=15N, no=261, id=199, vol=3.680000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   15 and name  HB#) 2.705 0.915 0.915 weight 1.000 spectrum  4 peak   261 ! spec=15N, no=261, id=199, vol=3.680000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HB#) 2.705 0.915 0.915 weight 1.000 spectrum  4 peak   261 ! spec=15N, no=261, id=199, vol=3.680000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HB#) 2.705 0.915 0.915 weight 1.000 spectrum  4 peak   261 ! spec=15N, no=261, id=199, vol=3.680000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   12 and name   HA) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   262 ! spec=15N, no=262, id=200, vol=1.620000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   12 and name   HA) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   262 ! spec=15N, no=262, id=200, vol=1.620000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   12 and name   HA) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   262 ! spec=15N, no=262, id=200, vol=1.620000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   12 and name   HA) 3.102 1.203 1.203 weight 1.000 spectrum  4 peak   262 ! spec=15N, no=262, id=200, vol=1.620000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name   HA) 3.374 1.423 1.423 weight 1.000 spectrum  4 peak   263 ! spec=15N, no=263, id=201, vol=9.790000e+05
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   14 and name   HA) 3.374 1.423 1.423 weight 1.000 spectrum  4 peak   263 ! spec=15N, no=263, id=201, vol=9.790000e+05
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   14 and name   HA) 3.374 1.423 1.423 weight 1.000 spectrum  4 peak   263 ! spec=15N, no=263, id=201, vol=9.790000e+05
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   14 and name   HA) 3.374 1.423 1.423 weight 1.000 spectrum  4 peak   263 ! spec=15N, no=263, id=201, vol=9.790000e+05
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.870 1.030 1.030 weight 1.000 spectrum  4 peak   264 ! spec=15N, no=264, id=202, vol=2.580000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   15 and name   HA) 2.870 1.030 1.030 weight 1.000 spectrum  4 peak   264 ! spec=15N, no=264, id=202, vol=2.580000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name   HA) 2.870 1.030 1.030 weight 1.000 spectrum  4 peak   264 ! spec=15N, no=264, id=202, vol=2.580000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name   HA) 2.870 1.030 1.030 weight 1.000 spectrum  4 peak   264 ! spec=15N, no=264, id=202, vol=2.580000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   265 ! spec=15N, no=265, id=203, vol=1.490000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   265 ! spec=15N, no=265, id=203, vol=1.490000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   265 ! spec=15N, no=265, id=203, vol=1.490000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   265 ! spec=15N, no=265, id=203, vol=1.490000e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA) 3.132 1.226 1.226 weight 1.000 spectrum  4 peak   268 ! spec=15N, no=268, id=206, vol=1.530000e+06
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   13 and name   HA) 3.132 1.226 1.226 weight 1.000 spectrum  4 peak   268 ! spec=15N, no=268, id=206, vol=1.530000e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   13 and name   HA) 3.132 1.226 1.226 weight 1.000 spectrum  4 peak   268 ! spec=15N, no=268, id=206, vol=1.530000e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   13 and name   HA) 3.132 1.226 1.226 weight 1.000 spectrum  4 peak   268 ! spec=15N, no=268, id=206, vol=1.530000e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.744 0.941 0.941 weight 1.000 spectrum  4 peak   269 ! spec=15N, no=269, id=207, vol=3.380000e+06
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   16 and name   HA) 2.744 0.941 0.941 weight 1.000 spectrum  4 peak   269 ! spec=15N, no=269, id=207, vol=3.380000e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   16 and name   HA) 2.744 0.941 0.941 weight 1.000 spectrum  4 peak   269 ! spec=15N, no=269, id=207, vol=3.380000e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   16 and name   HA) 2.744 0.941 0.941 weight 1.000 spectrum  4 peak   269 ! spec=15N, no=269, id=207, vol=3.380000e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   270 ! spec=15N, no=270, id=208, vol=2.190000e+06
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   15 and name  HB#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   270 ! spec=15N, no=270, id=208, vol=2.190000e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HB#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   270 ! spec=15N, no=270, id=208, vol=2.190000e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name  HB#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   270 ! spec=15N, no=270, id=208, vol=2.190000e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name   HN) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   275 ! spec=15N, no=275, id=213, vol=2.490000e+06
assign (segid "   B" and resid   15 and name   HN) (segid "   B" and resid   16 and name   HN) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   275 ! spec=15N, no=275, id=213, vol=2.490000e+06
assign (segid "   C" and resid   15 and name   HN) (segid "   C" and resid   16 and name   HN) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   275 ! spec=15N, no=275, id=213, vol=2.490000e+06
assign (segid "   D" and resid   15 and name   HN) (segid "   D" and resid   16 and name   HN) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   275 ! spec=15N, no=275, id=213, vol=2.490000e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   277 ! spec=15N, no=277, id=215, vol=1.490000e+06
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   277 ! spec=15N, no=277, id=215, vol=1.490000e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   277 ! spec=15N, no=277, id=215, vol=1.490000e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   15 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   277 ! spec=15N, no=277, id=215, vol=1.490000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   18 and name   HN) 2.722 0.926 0.926 weight 1.000 spectrum  4 peak   278 ! spec=15N, no=278, id=216, vol=3.550000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   18 and name   HN) 2.722 0.926 0.926 weight 1.000 spectrum  4 peak   278 ! spec=15N, no=278, id=216, vol=3.550000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   18 and name   HN) 2.722 0.926 0.926 weight 1.000 spectrum  4 peak   278 ! spec=15N, no=278, id=216, vol=3.550000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   18 and name   HN) 2.722 0.926 0.926 weight 1.000 spectrum  4 peak   278 ! spec=15N, no=278, id=216, vol=3.550000e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name   HN) 2.845 1.012 1.012 weight 1.000 spectrum  4 peak   279 ! spec=15N, no=279, id=217, vol=2.720000e+06
assign (segid "   B" and resid   16 and name   HN) (segid "   B" and resid   17 and name   HN) 2.845 1.012 1.012 weight 1.000 spectrum  4 peak   279 ! spec=15N, no=279, id=217, vol=2.720000e+06
assign (segid "   C" and resid   16 and name   HN) (segid "   C" and resid   17 and name   HN) 2.845 1.012 1.012 weight 1.000 spectrum  4 peak   279 ! spec=15N, no=279, id=217, vol=2.720000e+06
assign (segid "   D" and resid   16 and name   HN) (segid "   D" and resid   17 and name   HN) 2.845 1.012 1.012 weight 1.000 spectrum  4 peak   279 ! spec=15N, no=279, id=217, vol=2.720000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   14 and name   HA) 3.190 1.272 1.272 weight 1.000 spectrum  4 peak   280 ! spec=15N, no=280, id=218, vol=1.370000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   14 and name   HA) 3.190 1.272 1.272 weight 1.000 spectrum  4 peak   280 ! spec=15N, no=280, id=218, vol=1.370000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   14 and name   HA) 3.190 1.272 1.272 weight 1.000 spectrum  4 peak   280 ! spec=15N, no=280, id=218, vol=1.370000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   14 and name   HA) 3.190 1.272 1.272 weight 1.000 spectrum  4 peak   280 ! spec=15N, no=280, id=218, vol=1.370000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   16 and name   HA) 3.266 1.333 1.333 weight 1.000 spectrum  4 peak   281 ! spec=15N, no=281, id=219, vol=1.190000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   16 and name   HA) 3.266 1.333 1.333 weight 1.000 spectrum  4 peak   281 ! spec=15N, no=281, id=219, vol=1.190000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   16 and name   HA) 3.266 1.333 1.333 weight 1.000 spectrum  4 peak   281 ! spec=15N, no=281, id=219, vol=1.190000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   16 and name   HA) 3.266 1.333 1.333 weight 1.000 spectrum  4 peak   281 ! spec=15N, no=281, id=219, vol=1.190000e+06
assign (segid "   A" and resid   17 and name   HN) (segid "   A" and resid   17 and name   HA) 2.714 0.921 0.921 weight 1.000 spectrum  4 peak   282 ! spec=15N, no=282, id=220, vol=3.610000e+06
assign (segid "   B" and resid   17 and name   HN) (segid "   B" and resid   17 and name   HA) 2.714 0.921 0.921 weight 1.000 spectrum  4 peak   282 ! spec=15N, no=282, id=220, vol=3.610000e+06
assign (segid "   C" and resid   17 and name   HN) (segid "   C" and resid   17 and name   HA) 2.714 0.921 0.921 weight 1.000 spectrum  4 peak   282 ! spec=15N, no=282, id=220, vol=3.610000e+06
assign (segid "   D" and resid   17 and name   HN) (segid "   D" and resid   17 and name   HA) 2.714 0.921 0.921 weight 1.000 spectrum  4 peak   282 ! spec=15N, no=282, id=220, vol=3.610000e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HA) 4.164 2.167 2.167 weight 1.000 spectrum  4 peak   290 ! spec=15N, no=290, id=227, vol=2.770000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name   HA) 4.164 2.167 2.167 weight 1.000 spectrum  4 peak   290 ! spec=15N, no=290, id=227, vol=2.770000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name   HA) 4.164 2.167 2.167 weight 1.000 spectrum  4 peak   290 ! spec=15N, no=290, id=227, vol=2.770000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name   HA) 4.164 2.167 2.167 weight 1.000 spectrum  4 peak   290 ! spec=15N, no=290, id=227, vol=2.770000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   15 and name   HA) 3.469 1.504 1.504 weight 1.000 spectrum  4 peak   291 ! spec=15N, no=291, id=228, vol=8.280000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   15 and name   HA) 3.469 1.504 1.504 weight 1.000 spectrum  4 peak   291 ! spec=15N, no=291, id=228, vol=8.280000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   15 and name   HA) 3.469 1.504 1.504 weight 1.000 spectrum  4 peak   291 ! spec=15N, no=291, id=228, vol=8.280000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   15 and name   HA) 3.469 1.504 1.504 weight 1.000 spectrum  4 peak   291 ! spec=15N, no=291, id=228, vol=8.280000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 3.372 1.421 1.421 weight 1.000 spectrum  4 peak   293 ! spec=15N, no=293, id=230, vol=9.820000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   17 and name   HA) 3.372 1.421 1.421 weight 1.000 spectrum  4 peak   293 ! spec=15N, no=293, id=230, vol=9.820000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   17 and name   HA) 3.372 1.421 1.421 weight 1.000 spectrum  4 peak   293 ! spec=15N, no=293, id=230, vol=9.820000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   17 and name   HA) 3.372 1.421 1.421 weight 1.000 spectrum  4 peak   293 ! spec=15N, no=293, id=230, vol=9.820000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   20 and name   HN) 3.995 1.995 1.995 weight 1.000 spectrum  4 peak   295 ! spec=15N, no=295, id=232, vol=3.550000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   20 and name   HN) 3.995 1.995 1.995 weight 1.000 spectrum  4 peak   295 ! spec=15N, no=295, id=232, vol=3.550000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   20 and name   HN) 3.995 1.995 1.995 weight 1.000 spectrum  4 peak   295 ! spec=15N, no=295, id=232, vol=3.550000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   20 and name   HN) 3.995 1.995 1.995 weight 1.000 spectrum  4 peak   295 ! spec=15N, no=295, id=232, vol=3.550000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name   HN) 4.100 2.101 2.101 weight 1.000 spectrum  4 peak   298 ! spec=15N, no=298, id=235, vol=3.040000e+05
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   16 and name   HN) 4.100 2.101 2.101 weight 1.000 spectrum  4 peak   298 ! spec=15N, no=298, id=235, vol=3.040000e+05
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   16 and name   HN) 4.100 2.101 2.101 weight 1.000 spectrum  4 peak   298 ! spec=15N, no=298, id=235, vol=3.040000e+05
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   16 and name   HN) 4.100 2.101 2.101 weight 1.000 spectrum  4 peak   298 ! spec=15N, no=298, id=235, vol=3.040000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   15 and name  HD#) 4.270 2.279 2.279 weight 1.000 spectrum  4 peak   313 ! spec=15N, no=313, id=248, vol=2.380000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   15 and name  HD#) 4.270 2.279 2.279 weight 1.000 spectrum  4 peak   313 ! spec=15N, no=313, id=248, vol=2.380000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   15 and name  HD#) 4.270 2.279 2.279 weight 1.000 spectrum  4 peak   313 ! spec=15N, no=313, id=248, vol=2.380000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   15 and name  HD#) 4.270 2.279 2.279 weight 1.000 spectrum  4 peak   313 ! spec=15N, no=313, id=248, vol=2.380000e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   22 and name   HN) 3.708 1.719 1.719 weight 1.000 spectrum  4 peak   315 ! spec=15N, no=315, id=250, vol=5.550000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   22 and name   HN) 3.708 1.719 1.719 weight 1.000 spectrum  4 peak   315 ! spec=15N, no=315, id=250, vol=5.550000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   22 and name   HN) 3.708 1.719 1.719 weight 1.000 spectrum  4 peak   315 ! spec=15N, no=315, id=250, vol=5.550000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   22 and name   HN) 3.708 1.719 1.719 weight 1.000 spectrum  4 peak   315 ! spec=15N, no=315, id=250, vol=5.550000e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.804 0.983 0.983 weight 1.000 spectrum  4 peak   316 ! spec=15N, no=316, id=251, vol=2.970000e+06
assign (segid "   B" and resid   18 and name   HN) (segid "   B" and resid   19 and name   HN) 2.804 0.983 0.983 weight 1.000 spectrum  4 peak   316 ! spec=15N, no=316, id=251, vol=2.970000e+06
assign (segid "   C" and resid   18 and name   HN) (segid "   C" and resid   19 and name   HN) 2.804 0.983 0.983 weight 1.000 spectrum  4 peak   316 ! spec=15N, no=316, id=251, vol=2.970000e+06
assign (segid "   D" and resid   18 and name   HN) (segid "   D" and resid   19 and name   HN) 2.804 0.983 0.983 weight 1.000 spectrum  4 peak   316 ! spec=15N, no=316, id=251, vol=2.970000e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak   318 ! spec=15N, no=318, id=253, vol=2.960000e+06
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   20 and name   HN) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak   318 ! spec=15N, no=318, id=253, vol=2.960000e+06
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   20 and name   HN) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak   318 ! spec=15N, no=318, id=253, vol=2.960000e+06
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   20 and name   HN) 2.805 0.984 0.984 weight 1.000 spectrum  4 peak   318 ! spec=15N, no=318, id=253, vol=2.960000e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   17 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  4 peak   322 ! spec=15N, no=322, id=257, vol=4.930000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   17 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  4 peak   322 ! spec=15N, no=322, id=257, vol=4.930000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   17 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  4 peak   322 ! spec=15N, no=322, id=257, vol=4.930000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   17 and name   HA) 3.782 1.788 1.788 weight 1.000 spectrum  4 peak   322 ! spec=15N, no=322, id=257, vol=4.930000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   22 and name   HN) 3.773 1.780 1.780 weight 1.000 spectrum  4 peak   324 ! spec=15N, no=324, id=259, vol=5.000000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   22 and name   HN) 3.773 1.780 1.780 weight 1.000 spectrum  4 peak   324 ! spec=15N, no=324, id=259, vol=5.000000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   22 and name   HN) 3.773 1.780 1.780 weight 1.000 spectrum  4 peak   324 ! spec=15N, no=324, id=259, vol=5.000000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   22 and name   HN) 3.773 1.780 1.780 weight 1.000 spectrum  4 peak   324 ! spec=15N, no=324, id=259, vol=5.000000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   21 and name   HN) 2.739 0.938 0.938 weight 1.000 spectrum  4 peak   327 ! spec=15N, no=327, id=262, vol=3.420000e+06
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   21 and name   HN) 2.739 0.938 0.938 weight 1.000 spectrum  4 peak   327 ! spec=15N, no=327, id=262, vol=3.420000e+06
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   21 and name   HN) 2.739 0.938 0.938 weight 1.000 spectrum  4 peak   327 ! spec=15N, no=327, id=262, vol=3.420000e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   21 and name   HN) 2.739 0.938 0.938 weight 1.000 spectrum  4 peak   327 ! spec=15N, no=327, id=262, vol=3.420000e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   18 and name   HA) 3.799 1.804 1.804 weight 1.000 spectrum  4 peak   329 ! spec=15N, no=329, id=264, vol=4.800000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   18 and name   HA) 3.799 1.804 1.804 weight 1.000 spectrum  4 peak   329 ! spec=15N, no=329, id=264, vol=4.800000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   18 and name   HA) 3.799 1.804 1.804 weight 1.000 spectrum  4 peak   329 ! spec=15N, no=329, id=264, vol=4.800000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   18 and name   HA) 3.799 1.804 1.804 weight 1.000 spectrum  4 peak   329 ! spec=15N, no=329, id=264, vol=4.800000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   17 and name   HA) 3.171 1.257 1.257 weight 1.000 spectrum  4 peak   330 ! spec=15N, no=330, id=265, vol=1.420000e+06
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   17 and name   HA) 3.171 1.257 1.257 weight 1.000 spectrum  4 peak   330 ! spec=15N, no=330, id=265, vol=1.420000e+06
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   17 and name   HA) 3.171 1.257 1.257 weight 1.000 spectrum  4 peak   330 ! spec=15N, no=330, id=265, vol=1.420000e+06
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   17 and name   HA) 3.171 1.257 1.257 weight 1.000 spectrum  4 peak   330 ! spec=15N, no=330, id=265, vol=1.420000e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   16 and name   HA) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   331 ! spec=15N, no=331, id=266, vol=4.640000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   B" and resid   16 and name   HA) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   331 ! spec=15N, no=331, id=266, vol=4.640000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   C" and resid   16 and name   HA) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   331 ! spec=15N, no=331, id=266, vol=4.640000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   D" and resid   16 and name   HA) 3.821 1.825 1.825 weight 1.000 spectrum  4 peak   331 ! spec=15N, no=331, id=266, vol=4.640000e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   D" and resid   17 and name HD1#) 3.428 1.468 1.468 weight 1.000 spectrum  4 peak   338 ! spec=15N, no=338, id=273, vol=8.900000e+05
assign (segid "   B" and resid   20 and name   HN) (segid "   C" and resid   17 and name HD1#) 3.428 1.468 1.468 weight 1.000 spectrum  4 peak   338 ! spec=15N, no=338, id=273, vol=8.900000e+05
assign (segid "   C" and resid   20 and name   HN) (segid "   B" and resid   17 and name HD1#) 3.428 1.468 1.468 weight 1.000 spectrum  4 peak   338 ! spec=15N, no=338, id=273, vol=8.900000e+05
assign (segid "   D" and resid   20 and name   HN) (segid "   A" and resid   17 and name HD1#) 3.428 1.468 1.468 weight 1.000 spectrum  4 peak   338 ! spec=15N, no=338, id=273, vol=8.900000e+05
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   21 and name  HB#) 2.835 1.005 1.005 weight 1.000 spectrum  4 peak   348 ! spec=15N, no=348, id=281, vol=2.780000e+06
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   21 and name  HB#) 2.835 1.005 1.005 weight 1.000 spectrum  4 peak   348 ! spec=15N, no=348, id=281, vol=2.780000e+06
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   21 and name  HB#) 2.835 1.005 1.005 weight 1.000 spectrum  4 peak   348 ! spec=15N, no=348, id=281, vol=2.780000e+06
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   21 and name  HB#) 2.835 1.005 1.005 weight 1.000 spectrum  4 peak   348 ! spec=15N, no=348, id=281, vol=2.780000e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   21 and name   HN) 4.082 2.083 2.083 weight 1.000 spectrum  4 peak   357 ! spec=15N, no=357, id=290, vol=3.120000e+05
assign (segid "   B" and resid   19 and name   HN) (segid "   B" and resid   21 and name   HN) 4.082 2.083 2.083 weight 1.000 spectrum  4 peak   357 ! spec=15N, no=357, id=290, vol=3.120000e+05
assign (segid "   C" and resid   19 and name   HN) (segid "   C" and resid   21 and name   HN) 4.082 2.083 2.083 weight 1.000 spectrum  4 peak   357 ! spec=15N, no=357, id=290, vol=3.120000e+05
assign (segid "   D" and resid   19 and name   HN) (segid "   D" and resid   21 and name   HN) 4.082 2.083 2.083 weight 1.000 spectrum  4 peak   357 ! spec=15N, no=357, id=290, vol=3.120000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name  HE#) 3.984 1.984 1.984 weight 1.000 spectrum  4 peak   360 ! spec=15N, no=360, id=293, vol=3.610000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   22 and name  HE#) 3.984 1.984 1.984 weight 1.000 spectrum  4 peak   360 ! spec=15N, no=360, id=293, vol=3.610000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name  HE#) 3.984 1.984 1.984 weight 1.000 spectrum  4 peak   360 ! spec=15N, no=360, id=293, vol=3.610000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name  HE#) 3.984 1.984 1.984 weight 1.000 spectrum  4 peak   360 ! spec=15N, no=360, id=293, vol=3.610000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   C" and resid   39 and name  HE#) 3.924 1.925 1.925 weight 1.000 spectrum  4 peak   361 ! spec=15N, no=361, id=294, vol=3.950000e+05
assign (segid "   B" and resid   23 and name   HN) (segid "   D" and resid   39 and name  HE#) 3.924 1.925 1.925 weight 1.000 spectrum  4 peak   361 ! spec=15N, no=361, id=294, vol=3.950000e+05
assign (segid "   C" and resid   23 and name   HN) (segid "   A" and resid   39 and name  HE#) 3.924 1.925 1.925 weight 1.000 spectrum  4 peak   361 ! spec=15N, no=361, id=294, vol=3.950000e+05
assign (segid "   D" and resid   23 and name   HN) (segid "   B" and resid   39 and name  HE#) 3.924 1.925 1.925 weight 1.000 spectrum  4 peak   361 ! spec=15N, no=361, id=294, vol=3.950000e+05
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   23 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   366 ! spec=15N, no=366, id=299, vol=4.130000e+06
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   23 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   366 ! spec=15N, no=366, id=299, vol=4.130000e+06
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   23 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   366 ! spec=15N, no=366, id=299, vol=4.130000e+06
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   23 and name  HB#) 2.654 0.880 0.880 weight 1.000 spectrum  4 peak   366 ! spec=15N, no=366, id=299, vol=4.130000e+06
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HA) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   370 ! spec=15N, no=370, id=303, vol=1.510000e+06
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name   HA) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   370 ! spec=15N, no=370, id=303, vol=1.510000e+06
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HA) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   370 ! spec=15N, no=370, id=303, vol=1.510000e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name   HA) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   370 ! spec=15N, no=370, id=303, vol=1.510000e+06
assign (segid "   A" and resid   23 and name   HN) (segid "   A" and resid   22 and name   HA) 3.299 1.360 1.360 weight 1.000 spectrum  4 peak   374 ! spec=15N, no=374, id=307, vol=1.120000e+06
assign (segid "   B" and resid   23 and name   HN) (segid "   B" and resid   22 and name   HA) 3.299 1.360 1.360 weight 1.000 spectrum  4 peak   374 ! spec=15N, no=374, id=307, vol=1.120000e+06
assign (segid "   C" and resid   23 and name   HN) (segid "   C" and resid   22 and name   HA) 3.299 1.360 1.360 weight 1.000 spectrum  4 peak   374 ! spec=15N, no=374, id=307, vol=1.120000e+06
assign (segid "   D" and resid   23 and name   HN) (segid "   D" and resid   22 and name   HA) 3.299 1.360 1.360 weight 1.000 spectrum  4 peak   374 ! spec=15N, no=374, id=307, vol=1.120000e+06
assign (segid "   A" and resid   21 and name   HN) (segid "   A" and resid   23 and name   HN) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   377 ! spec=15N, no=377, id=310, vol=1.210000e+06
assign (segid "   B" and resid   21 and name   HN) (segid "   B" and resid   23 and name   HN) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   377 ! spec=15N, no=377, id=310, vol=1.210000e+06
assign (segid "   C" and resid   21 and name   HN) (segid "   C" and resid   23 and name   HN) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   377 ! spec=15N, no=377, id=310, vol=1.210000e+06
assign (segid "   D" and resid   21 and name   HN) (segid "   D" and resid   23 and name   HN) 3.256 1.326 1.326 weight 1.000 spectrum  4 peak   377 ! spec=15N, no=377, id=310, vol=1.210000e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   23 and name   HN) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   378 ! spec=15N, no=378, id=311, vol=2.520000e+06
assign (segid "   B" and resid   22 and name   HN) (segid "   B" and resid   23 and name   HN) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   378 ! spec=15N, no=378, id=311, vol=2.520000e+06
assign (segid "   C" and resid   22 and name   HN) (segid "   C" and resid   23 and name   HN) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   378 ! spec=15N, no=378, id=311, vol=2.520000e+06
assign (segid "   D" and resid   22 and name   HN) (segid "   D" and resid   23 and name   HN) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   378 ! spec=15N, no=378, id=311, vol=2.520000e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   37 and name   HA) 2.905 1.055 1.055 weight 1.000 spectrum  4 peak   387 ! spec=15N, no=387, id=319, vol=2.400000e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   37 and name   HA) 2.905 1.055 1.055 weight 1.000 spectrum  4 peak   387 ! spec=15N, no=387, id=319, vol=2.400000e+06
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   37 and name   HA) 2.905 1.055 1.055 weight 1.000 spectrum  4 peak   387 ! spec=15N, no=387, id=319, vol=2.400000e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   37 and name   HA) 2.905 1.055 1.055 weight 1.000 spectrum  4 peak   387 ! spec=15N, no=387, id=319, vol=2.400000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name   HA) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   389 ! spec=15N, no=389, id=321, vol=3.400000e+06
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   24 and name   HA) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   389 ! spec=15N, no=389, id=321, vol=3.400000e+06
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name   HA) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   389 ! spec=15N, no=389, id=321, vol=3.400000e+06
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   24 and name   HA) 2.741 0.939 0.939 weight 1.000 spectrum  4 peak   389 ! spec=15N, no=389, id=321, vol=3.400000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   390 ! spec=15N, no=390, id=322, vol=3.730000e+06
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   24 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   390 ! spec=15N, no=390, id=322, vol=3.730000e+06
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   390 ! spec=15N, no=390, id=322, vol=3.730000e+06
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   24 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   390 ! spec=15N, no=390, id=322, vol=3.730000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   24 and name  HB#) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   391 ! spec=15N, no=391, id=323, vol=2.520000e+06
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   24 and name  HB#) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   391 ! spec=15N, no=391, id=323, vol=2.520000e+06
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   24 and name  HB#) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   391 ! spec=15N, no=391, id=323, vol=2.520000e+06
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   24 and name  HB#) 2.882 1.038 1.038 weight 1.000 spectrum  4 peak   391 ! spec=15N, no=391, id=323, vol=2.520000e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  4 peak   392 ! spec=15N, no=392, id=324, vol=1.090000e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   36 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  4 peak   392 ! spec=15N, no=392, id=324, vol=1.090000e+06
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  4 peak   392 ! spec=15N, no=392, id=324, vol=1.090000e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   36 and name   HN) 3.314 1.373 1.373 weight 1.000 spectrum  4 peak   392 ! spec=15N, no=392, id=324, vol=1.090000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   25 and name   HN) 2.812 0.988 0.988 weight 1.000 spectrum  4 peak   393 ! spec=15N, no=393, id=325, vol=2.920000e+06
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   25 and name   HN) 2.812 0.988 0.988 weight 1.000 spectrum  4 peak   393 ! spec=15N, no=393, id=325, vol=2.920000e+06
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   25 and name   HN) 2.812 0.988 0.988 weight 1.000 spectrum  4 peak   393 ! spec=15N, no=393, id=325, vol=2.920000e+06
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   25 and name   HN) 2.812 0.988 0.988 weight 1.000 spectrum  4 peak   393 ! spec=15N, no=393, id=325, vol=2.920000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   22 and name   HN) 3.973 1.973 1.973 weight 1.000 spectrum  4 peak   394 ! spec=15N, no=394, id=326, vol=3.670000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   22 and name   HN) 3.973 1.973 1.973 weight 1.000 spectrum  4 peak   394 ! spec=15N, no=394, id=326, vol=3.670000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   22 and name   HN) 3.973 1.973 1.973 weight 1.000 spectrum  4 peak   394 ! spec=15N, no=394, id=326, vol=3.670000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   22 and name   HN) 3.973 1.973 1.973 weight 1.000 spectrum  4 peak   394 ! spec=15N, no=394, id=326, vol=3.670000e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   B" and resid   14 and name   HA) 2.964 2.964 3.422 weight 1.000 spectrum  4 peak   396 ! spec=15N, no=396, id=328, vol=2.130000e+06
assign (segid "   B" and resid   25 and name   HN) (segid "   A" and resid   14 and name   HA) 2.964 2.964 3.422 weight 1.000 spectrum  4 peak   396 ! spec=15N, no=396, id=328, vol=2.130000e+06
assign (segid "   C" and resid   25 and name   HN) (segid "   D" and resid   14 and name   HA) 2.964 2.964 3.422 weight 1.000 spectrum  4 peak   396 ! spec=15N, no=396, id=328, vol=2.130000e+06
assign (segid "   D" and resid   25 and name   HN) (segid "   C" and resid   14 and name   HA) 2.964 2.964 3.422 weight 1.000 spectrum  4 peak   396 ! spec=15N, no=396, id=328, vol=2.130000e+06
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   21 and name   HA) 3.620 1.638 1.638 weight 1.000 spectrum  4 peak   397 ! spec=15N, no=397, id=329, vol=6.410000e+05
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   21 and name   HA) 3.620 1.638 1.638 weight 1.000 spectrum  4 peak   397 ! spec=15N, no=397, id=329, vol=6.410000e+05
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   21 and name   HA) 3.620 1.638 1.638 weight 1.000 spectrum  4 peak   397 ! spec=15N, no=397, id=329, vol=6.410000e+05
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   21 and name   HA) 3.620 1.638 1.638 weight 1.000 spectrum  4 peak   397 ! spec=15N, no=397, id=329, vol=6.410000e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   24 and name   HA) 3.468 1.504 1.504 weight 1.000 spectrum  4 peak   398 ! spec=15N, no=398, id=330, vol=8.290000e+05
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   24 and name   HA) 3.468 1.504 1.504 weight 1.000 spectrum  4 peak   398 ! spec=15N, no=398, id=330, vol=8.290000e+05
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   24 and name   HA) 3.468 1.504 1.504 weight 1.000 spectrum  4 peak   398 ! spec=15N, no=398, id=330, vol=8.290000e+05
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   24 and name   HA) 3.468 1.504 1.504 weight 1.000 spectrum  4 peak   398 ! spec=15N, no=398, id=330, vol=8.290000e+05
assign (segid "   A" and resid   25 and name   HN) (segid "   A" and resid   25 and name  HB#) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   405 ! spec=15N, no=405, id=337, vol=1.670000e+06
assign (segid "   B" and resid   25 and name   HN) (segid "   B" and resid   25 and name  HB#) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   405 ! spec=15N, no=405, id=337, vol=1.670000e+06
assign (segid "   C" and resid   25 and name   HN) (segid "   C" and resid   25 and name  HB#) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   405 ! spec=15N, no=405, id=337, vol=1.670000e+06
assign (segid "   D" and resid   25 and name   HN) (segid "   D" and resid   25 and name  HB#) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   405 ! spec=15N, no=405, id=337, vol=1.670000e+06
assign (segid "   A" and resid   24 and name   HN) (segid "   A" and resid   26 and name   HN) 4.056 2.057 2.057 weight 1.000 spectrum  4 peak   415 ! spec=15N, no=415, id=345, vol=3.240000e+05
assign (segid "   B" and resid   24 and name   HN) (segid "   B" and resid   26 and name   HN) 4.056 2.057 2.057 weight 1.000 spectrum  4 peak   415 ! spec=15N, no=415, id=345, vol=3.240000e+05
assign (segid "   C" and resid   24 and name   HN) (segid "   C" and resid   26 and name   HN) 4.056 2.057 2.057 weight 1.000 spectrum  4 peak   415 ! spec=15N, no=415, id=345, vol=3.240000e+05
assign (segid "   D" and resid   24 and name   HN) (segid "   D" and resid   26 and name   HN) 4.056 2.057 2.057 weight 1.000 spectrum  4 peak   415 ! spec=15N, no=415, id=345, vol=3.240000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   28 and name   HN) 3.959 1.959 1.959 weight 1.000 spectrum  4 peak   416 ! spec=15N, no=416, id=346, vol=3.750000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   28 and name   HN) 3.959 1.959 1.959 weight 1.000 spectrum  4 peak   416 ! spec=15N, no=416, id=346, vol=3.750000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   28 and name   HN) 3.959 1.959 1.959 weight 1.000 spectrum  4 peak   416 ! spec=15N, no=416, id=346, vol=3.750000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   28 and name   HN) 3.959 1.959 1.959 weight 1.000 spectrum  4 peak   416 ! spec=15N, no=416, id=346, vol=3.750000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   B" and resid   14 and name   HA) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   418 ! spec=15N, no=418, id=348, vol=2.320000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   A" and resid   14 and name   HA) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   418 ! spec=15N, no=418, id=348, vol=2.320000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   D" and resid   14 and name   HA) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   418 ! spec=15N, no=418, id=348, vol=2.320000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   C" and resid   14 and name   HA) 4.288 2.299 2.299 weight 1.000 spectrum  4 peak   418 ! spec=15N, no=418, id=348, vol=2.320000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   23 and name   HA) 3.506 1.536 1.536 weight 1.000 spectrum  4 peak   419 ! spec=15N, no=419, id=349, vol=7.770000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   23 and name   HA) 3.506 1.536 1.536 weight 1.000 spectrum  4 peak   419 ! spec=15N, no=419, id=349, vol=7.770000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   23 and name   HA) 3.506 1.536 1.536 weight 1.000 spectrum  4 peak   419 ! spec=15N, no=419, id=349, vol=7.770000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   23 and name   HA) 3.506 1.536 1.536 weight 1.000 spectrum  4 peak   419 ! spec=15N, no=419, id=349, vol=7.770000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   22 and name   HA) 3.697 1.709 1.709 weight 1.000 spectrum  4 peak   422 ! spec=15N, no=422, id=352, vol=5.650000e+05
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   22 and name   HA) 3.697 1.709 1.709 weight 1.000 spectrum  4 peak   422 ! spec=15N, no=422, id=352, vol=5.650000e+05
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   22 and name   HA) 3.697 1.709 1.709 weight 1.000 spectrum  4 peak   422 ! spec=15N, no=422, id=352, vol=5.650000e+05
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   22 and name   HA) 3.697 1.709 1.709 weight 1.000 spectrum  4 peak   422 ! spec=15N, no=422, id=352, vol=5.650000e+05
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB#) 3.023 1.142 1.142 weight 1.000 spectrum  4 peak   426 ! spec=15N, no=426, id=356, vol=1.890000e+06
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   25 and name  HB#) 3.023 1.142 1.142 weight 1.000 spectrum  4 peak   426 ! spec=15N, no=426, id=356, vol=1.890000e+06
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name  HB#) 3.023 1.142 1.142 weight 1.000 spectrum  4 peak   426 ! spec=15N, no=426, id=356, vol=1.890000e+06
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   25 and name  HB#) 3.023 1.142 1.142 weight 1.000 spectrum  4 peak   426 ! spec=15N, no=426, id=356, vol=1.890000e+06
assign (segid "   A" and resid   26 and name   HN) (segid "   A" and resid   25 and name  HB#) 3.351 1.403 1.403 weight 1.000 spectrum  4 peak   428 ! spec=15N, no=428, id=358, vol=1.020000e+06
assign (segid "   B" and resid   26 and name   HN) (segid "   B" and resid   25 and name  HB#) 3.351 1.403 1.403 weight 1.000 spectrum  4 peak   428 ! spec=15N, no=428, id=358, vol=1.020000e+06
assign (segid "   C" and resid   26 and name   HN) (segid "   C" and resid   25 and name  HB#) 3.351 1.403 1.403 weight 1.000 spectrum  4 peak   428 ! spec=15N, no=428, id=358, vol=1.020000e+06
assign (segid "   D" and resid   26 and name   HN) (segid "   D" and resid   25 and name  HB#) 3.351 1.403 1.403 weight 1.000 spectrum  4 peak   428 ! spec=15N, no=428, id=358, vol=1.020000e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   23 and name   HA) 3.656 1.671 1.671 weight 1.000 spectrum  4 peak   437 ! spec=15N, no=437, id=365, vol=6.040000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   23 and name   HA) 3.656 1.671 1.671 weight 1.000 spectrum  4 peak   437 ! spec=15N, no=437, id=365, vol=6.040000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   23 and name   HA) 3.656 1.671 1.671 weight 1.000 spectrum  4 peak   437 ! spec=15N, no=437, id=365, vol=6.040000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   23 and name   HA) 3.656 1.671 1.671 weight 1.000 spectrum  4 peak   437 ! spec=15N, no=437, id=365, vol=6.040000e+05
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   26 and name  HB#) 3.128 1.223 1.223 weight 1.000 spectrum  4 peak   444 ! spec=15N, no=444, id=372, vol=1.540000e+06
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   26 and name  HB#) 3.128 1.223 1.223 weight 1.000 spectrum  4 peak   444 ! spec=15N, no=444, id=372, vol=1.540000e+06
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   26 and name  HB#) 3.128 1.223 1.223 weight 1.000 spectrum  4 peak   444 ! spec=15N, no=444, id=372, vol=1.540000e+06
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   26 and name  HB#) 3.128 1.223 1.223 weight 1.000 spectrum  4 peak   444 ! spec=15N, no=444, id=372, vol=1.540000e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   446 ! spec=15N, no=446, id=374, vol=3.730000e+06
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   27 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   446 ! spec=15N, no=446, id=374, vol=3.730000e+06
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   446 ! spec=15N, no=446, id=374, vol=3.730000e+06
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   27 and name  HB#) 2.699 0.911 0.911 weight 1.000 spectrum  4 peak   446 ! spec=15N, no=446, id=374, vol=3.730000e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   27 and name   HG) 2.659 0.884 1.852 weight 1.000 spectrum  4 peak   447 ! spec=15N, no=447, id=375, vol=4.080000e+06
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   27 and name   HG) 2.659 0.884 1.852 weight 1.000 spectrum  4 peak   447 ! spec=15N, no=447, id=375, vol=4.080000e+06
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   27 and name   HG) 2.659 0.884 1.852 weight 1.000 spectrum  4 peak   447 ! spec=15N, no=447, id=375, vol=4.080000e+06
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   27 and name   HG) 2.659 0.884 1.852 weight 1.000 spectrum  4 peak   447 ! spec=15N, no=447, id=375, vol=4.080000e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   28 and name   HN) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   451 ! spec=15N, no=451, id=377, vol=3.370000e+06
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   28 and name   HN) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   451 ! spec=15N, no=451, id=377, vol=3.370000e+06
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   28 and name   HN) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   451 ! spec=15N, no=451, id=377, vol=3.370000e+06
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   28 and name   HN) 2.745 0.942 0.942 weight 1.000 spectrum  4 peak   451 ! spec=15N, no=451, id=377, vol=3.370000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name   HA) 2.608 0.850 0.850 weight 1.000 spectrum  4 peak   457 ! spec=15N, no=457, id=382, vol=4.590000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name   HA) 2.608 0.850 0.850 weight 1.000 spectrum  4 peak   457 ! spec=15N, no=457, id=382, vol=4.590000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name   HA) 2.608 0.850 0.850 weight 1.000 spectrum  4 peak   457 ! spec=15N, no=457, id=382, vol=4.590000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name   HA) 2.608 0.850 0.850 weight 1.000 spectrum  4 peak   457 ! spec=15N, no=457, id=382, vol=4.590000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HG#) 2.964 2.964 3.036 weight 1.000 spectrum  4 peak   459 ! spec=15N, no=459, id=384, vol=2.130000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HG#) 2.964 2.964 3.036 weight 1.000 spectrum  4 peak   459 ! spec=15N, no=459, id=384, vol=2.130000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HG#) 2.964 2.964 3.036 weight 1.000 spectrum  4 peak   459 ! spec=15N, no=459, id=384, vol=2.130000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HG#) 2.964 2.964 3.036 weight 1.000 spectrum  4 peak   459 ! spec=15N, no=459, id=384, vol=2.130000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   C" and resid   28 and name  HE#) 3.345 1.399 1.931 weight 1.000 spectrum  4 peak   462 ! spec=15N, no=462, id=387, vol=1.030000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   D" and resid   28 and name  HE#) 3.345 1.399 1.931 weight 1.000 spectrum  4 peak   462 ! spec=15N, no=462, id=387, vol=1.030000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   A" and resid   28 and name  HE#) 3.345 1.399 1.931 weight 1.000 spectrum  4 peak   462 ! spec=15N, no=462, id=387, vol=1.030000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   B" and resid   28 and name  HE#) 3.345 1.399 1.931 weight 1.000 spectrum  4 peak   462 ! spec=15N, no=462, id=387, vol=1.030000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name  HB#) 3.105 1.205 1.205 weight 1.000 spectrum  4 peak   463 ! spec=15N, no=463, id=388, vol=1.610000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   27 and name  HB#) 3.105 1.205 1.205 weight 1.000 spectrum  4 peak   463 ! spec=15N, no=463, id=388, vol=1.610000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name  HB#) 3.105 1.205 1.205 weight 1.000 spectrum  4 peak   463 ! spec=15N, no=463, id=388, vol=1.610000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name  HB#) 3.105 1.205 1.205 weight 1.000 spectrum  4 peak   463 ! spec=15N, no=463, id=388, vol=1.610000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   27 and name   HG) 3.252 1.322 2.405 weight 1.000 spectrum  4 peak   464 ! spec=15N, no=464, id=389, vol=1.220000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   27 and name   HG) 3.252 1.322 2.405 weight 1.000 spectrum  4 peak   464 ! spec=15N, no=464, id=389, vol=1.220000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   27 and name   HG) 3.252 1.322 2.405 weight 1.000 spectrum  4 peak   464 ! spec=15N, no=464, id=389, vol=1.220000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   27 and name   HG) 3.252 1.322 2.405 weight 1.000 spectrum  4 peak   464 ! spec=15N, no=464, id=389, vol=1.220000e+06
assign (segid "   A" and resid   27 and name   HN) (segid "   A" and resid   29 and name   HN) 3.863 1.866 1.866 weight 1.000 spectrum  4 peak   468 ! spec=15N, no=468, id=391, vol=4.340000e+05
assign (segid "   B" and resid   27 and name   HN) (segid "   B" and resid   29 and name   HN) 3.863 1.866 1.866 weight 1.000 spectrum  4 peak   468 ! spec=15N, no=468, id=391, vol=4.340000e+05
assign (segid "   C" and resid   27 and name   HN) (segid "   C" and resid   29 and name   HN) 3.863 1.866 1.866 weight 1.000 spectrum  4 peak   468 ! spec=15N, no=468, id=391, vol=4.340000e+05
assign (segid "   D" and resid   27 and name   HN) (segid "   D" and resid   29 and name   HN) 3.863 1.866 1.866 weight 1.000 spectrum  4 peak   468 ! spec=15N, no=468, id=391, vol=4.340000e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   29 and name   HN) 2.566 0.823 0.823 weight 1.000 spectrum  4 peak   469 ! spec=15N, no=469, id=392, vol=5.050000e+06
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   29 and name   HN) 2.566 0.823 0.823 weight 1.000 spectrum  4 peak   469 ! spec=15N, no=469, id=392, vol=5.050000e+06
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   29 and name   HN) 2.566 0.823 0.823 weight 1.000 spectrum  4 peak   469 ! spec=15N, no=469, id=392, vol=5.050000e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   29 and name   HN) 2.566 0.823 0.823 weight 1.000 spectrum  4 peak   469 ! spec=15N, no=469, id=392, vol=5.050000e+06
assign (segid "   A" and resid   28 and name   HN) (segid "   A" and resid   29 and name   HN) 2.747 0.943 0.943 weight 1.000 spectrum  4 peak   470 ! spec=15N, no=470, id=393, vol=3.360000e+06
assign (segid "   B" and resid   28 and name   HN) (segid "   B" and resid   29 and name   HN) 2.747 0.943 0.943 weight 1.000 spectrum  4 peak   470 ! spec=15N, no=470, id=393, vol=3.360000e+06
assign (segid "   C" and resid   28 and name   HN) (segid "   C" and resid   29 and name   HN) 2.747 0.943 0.943 weight 1.000 spectrum  4 peak   470 ! spec=15N, no=470, id=393, vol=3.360000e+06
assign (segid "   D" and resid   28 and name   HN) (segid "   D" and resid   29 and name   HN) 2.747 0.943 0.943 weight 1.000 spectrum  4 peak   470 ! spec=15N, no=470, id=393, vol=3.360000e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   30 and name   HA) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   471 ! spec=15N, no=471, id=394, vol=5.370000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   30 and name   HA) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   471 ! spec=15N, no=471, id=394, vol=5.370000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   30 and name   HA) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   471 ! spec=15N, no=471, id=394, vol=5.370000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   30 and name   HA) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   471 ! spec=15N, no=471, id=394, vol=5.370000e+05
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   29 and name   HA) 2.561 0.820 0.820 weight 1.000 spectrum  4 peak   472 ! spec=15N, no=472, id=395, vol=5.120000e+06
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   29 and name   HA) 2.561 0.820 0.820 weight 1.000 spectrum  4 peak   472 ! spec=15N, no=472, id=395, vol=5.120000e+06
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   29 and name   HA) 2.561 0.820 0.820 weight 1.000 spectrum  4 peak   472 ! spec=15N, no=472, id=395, vol=5.120000e+06
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   29 and name   HA) 2.561 0.820 0.820 weight 1.000 spectrum  4 peak   472 ! spec=15N, no=472, id=395, vol=5.120000e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   28 and name   HA) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   473 ! spec=15N, no=473, id=396, vol=1.880000e+06
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   28 and name   HA) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   473 ! spec=15N, no=473, id=396, vol=1.880000e+06
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   28 and name   HA) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   473 ! spec=15N, no=473, id=396, vol=1.880000e+06
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   28 and name   HA) 3.026 1.144 1.144 weight 1.000 spectrum  4 peak   473 ! spec=15N, no=473, id=396, vol=1.880000e+06
assign (segid "   A" and resid   29 and name   HN) (segid "   A" and resid   27 and name  HB#) 3.874 1.876 1.876 weight 1.000 spectrum  4 peak   479 ! spec=15N, no=479, id=402, vol=4.270000e+05
assign (segid "   B" and resid   29 and name   HN) (segid "   B" and resid   27 and name  HB#) 3.874 1.876 1.876 weight 1.000 spectrum  4 peak   479 ! spec=15N, no=479, id=402, vol=4.270000e+05
assign (segid "   C" and resid   29 and name   HN) (segid "   C" and resid   27 and name  HB#) 3.874 1.876 1.876 weight 1.000 spectrum  4 peak   479 ! spec=15N, no=479, id=402, vol=4.270000e+05
assign (segid "   D" and resid   29 and name   HN) (segid "   D" and resid   27 and name  HB#) 3.874 1.876 1.876 weight 1.000 spectrum  4 peak   479 ! spec=15N, no=479, id=402, vol=4.270000e+05
assign (segid "   A" and resid   30 and name   HN) (segid "   A" and resid   31 and name   HN) 2.473 0.764 0.764 weight 1.000 spectrum  4 peak   483 ! spec=15N, no=483, id=406, vol=6.310000e+06
assign (segid "   B" and resid   30 and name   HN) (segid "   B" and resid   31 and name   HN) 2.473 0.764 0.764 weight 1.000 spectrum  4 peak   483 ! spec=15N, no=483, id=406, vol=6.310000e+06
assign (segid "   C" and resid   30 and name   HN) (segid "   C" and resid   31 and name   HN) 2.473 0.764 0.764 weight 1.000 spectrum  4 peak   483 ! spec=15N, no=483, id=406, vol=6.310000e+06
assign (segid "   D" and resid   30 and name   HN) (segid "   D" and resid   31 and name   HN) 2.473 0.764 0.764 weight 1.000 spectrum  4 peak   483 ! spec=15N, no=483, id=406, vol=6.310000e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HA) 2.957 1.093 1.093 weight 1.000 spectrum  4 peak   484 ! spec=15N, no=484, id=407, vol=2.160000e+06
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   30 and name   HA) 2.957 1.093 1.093 weight 1.000 spectrum  4 peak   484 ! spec=15N, no=484, id=407, vol=2.160000e+06
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name   HA) 2.957 1.093 1.093 weight 1.000 spectrum  4 peak   484 ! spec=15N, no=484, id=407, vol=2.160000e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name   HA) 2.957 1.093 1.093 weight 1.000 spectrum  4 peak   484 ! spec=15N, no=484, id=407, vol=2.160000e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   31 and name   HA) 2.618 0.857 0.857 weight 1.000 spectrum  4 peak   486 ! spec=15N, no=486, id=409, vol=4.480000e+06
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   31 and name   HA) 2.618 0.857 0.857 weight 1.000 spectrum  4 peak   486 ! spec=15N, no=486, id=409, vol=4.480000e+06
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   31 and name   HA) 2.618 0.857 0.857 weight 1.000 spectrum  4 peak   486 ! spec=15N, no=486, id=409, vol=4.480000e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   31 and name   HA) 2.618 0.857 0.857 weight 1.000 spectrum  4 peak   486 ! spec=15N, no=486, id=409, vol=4.480000e+06
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   32 and name  HD#) 3.802 1.807 1.807 weight 1.000 spectrum  4 peak   487 ! spec=15N, no=487, id=410, vol=4.780000e+05
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   32 and name  HD#) 3.802 1.807 1.807 weight 1.000 spectrum  4 peak   487 ! spec=15N, no=487, id=410, vol=4.780000e+05
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   32 and name  HD#) 3.802 1.807 1.807 weight 1.000 spectrum  4 peak   487 ! spec=15N, no=487, id=410, vol=4.780000e+05
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   32 and name  HD#) 3.802 1.807 1.807 weight 1.000 spectrum  4 peak   487 ! spec=15N, no=487, id=410, vol=4.780000e+05
assign (segid "   A" and resid   31 and name   HN) (segid "   A" and resid   30 and name   HG) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   489 ! spec=15N, no=489, id=412, vol=1.510000e+06
assign (segid "   B" and resid   31 and name   HN) (segid "   B" and resid   30 and name   HG) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   489 ! spec=15N, no=489, id=412, vol=1.510000e+06
assign (segid "   C" and resid   31 and name   HN) (segid "   C" and resid   30 and name   HG) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   489 ! spec=15N, no=489, id=412, vol=1.510000e+06
assign (segid "   D" and resid   31 and name   HN) (segid "   D" and resid   30 and name   HG) 3.138 1.231 1.231 weight 1.000 spectrum  4 peak   489 ! spec=15N, no=489, id=412, vol=1.510000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name   HA) 2.396 0.718 1.126 weight 1.000 spectrum  4 peak   491 ! spec=15N, no=491, id=414, vol=7.620000e+06
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   32 and name   HA) 2.396 0.718 1.126 weight 1.000 spectrum  4 peak   491 ! spec=15N, no=491, id=414, vol=7.620000e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name   HA) 2.396 0.718 1.126 weight 1.000 spectrum  4 peak   491 ! spec=15N, no=491, id=414, vol=7.620000e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name   HA) 2.396 0.718 1.126 weight 1.000 spectrum  4 peak   491 ! spec=15N, no=491, id=414, vol=7.620000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   32 and name  HD#) 4.385 2.746 2.403 weight 1.000 spectrum  4 peak   492 ! spec=15N, no=492, id=415, vol=2.030000e+05
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   32 and name  HD#) 4.385 2.746 2.403 weight 1.000 spectrum  4 peak   492 ! spec=15N, no=492, id=415, vol=2.030000e+05
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   32 and name  HD#) 4.385 2.746 2.403 weight 1.000 spectrum  4 peak   492 ! spec=15N, no=492, id=415, vol=2.030000e+05
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   32 and name  HD#) 4.385 2.746 2.403 weight 1.000 spectrum  4 peak   492 ! spec=15N, no=492, id=415, vol=2.030000e+05
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   33 and name   HA) 2.830 1.001 1.001 weight 1.000 spectrum  4 peak   493 ! spec=15N, no=493, id=416, vol=2.810000e+06
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   33 and name   HA) 2.830 1.001 1.001 weight 1.000 spectrum  4 peak   493 ! spec=15N, no=493, id=416, vol=2.810000e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   33 and name   HA) 2.830 1.001 1.001 weight 1.000 spectrum  4 peak   493 ! spec=15N, no=493, id=416, vol=2.810000e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   33 and name   HA) 2.830 1.001 1.001 weight 1.000 spectrum  4 peak   493 ! spec=15N, no=493, id=416, vol=2.810000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HD#) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   494 ! spec=15N, no=494, id=417, vol=1.840000e+06
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   34 and name  HD#) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   494 ! spec=15N, no=494, id=417, vol=1.840000e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   34 and name  HD#) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   494 ! spec=15N, no=494, id=417, vol=1.840000e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   34 and name  HD#) 3.037 1.153 1.153 weight 1.000 spectrum  4 peak   494 ! spec=15N, no=494, id=417, vol=1.840000e+06
assign (segid "   A" and resid   33 and name   HN) (segid "   A" and resid   34 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   495 ! spec=15N, no=495, id=418, vol=1.490000e+06
assign (segid "   B" and resid   33 and name   HN) (segid "   B" and resid   34 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   495 ! spec=15N, no=495, id=418, vol=1.490000e+06
assign (segid "   C" and resid   33 and name   HN) (segid "   C" and resid   34 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   495 ! spec=15N, no=495, id=418, vol=1.490000e+06
assign (segid "   D" and resid   33 and name   HN) (segid "   D" and resid   34 and name  HD#) 3.145 1.237 1.237 weight 1.000 spectrum  4 peak   495 ! spec=15N, no=495, id=418, vol=1.490000e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name   HN) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   501 ! spec=15N, no=501, id=423, vol=2.450000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   33 and name   HN) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   501 ! spec=15N, no=501, id=423, vol=2.450000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   33 and name   HN) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   501 ! spec=15N, no=501, id=423, vol=2.450000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   33 and name   HN) 4.250 2.257 2.257 weight 1.000 spectrum  4 peak   501 ! spec=15N, no=501, id=423, vol=2.450000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   36 and name   HN) 2.564 0.822 0.822 weight 1.000 spectrum  4 peak   503 ! spec=15N, no=503, id=425, vol=5.080000e+06
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   36 and name   HN) 2.564 0.822 0.822 weight 1.000 spectrum  4 peak   503 ! spec=15N, no=503, id=425, vol=5.080000e+06
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   36 and name   HN) 2.564 0.822 0.822 weight 1.000 spectrum  4 peak   503 ! spec=15N, no=503, id=425, vol=5.080000e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   36 and name   HN) 2.564 0.822 0.822 weight 1.000 spectrum  4 peak   503 ! spec=15N, no=503, id=425, vol=5.080000e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name   HA) 3.500 1.531 1.531 weight 1.000 spectrum  4 peak   504 ! spec=15N, no=504, id=426, vol=7.850000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name   HA) 3.500 1.531 1.531 weight 1.000 spectrum  4 peak   504 ! spec=15N, no=504, id=426, vol=7.850000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name   HA) 3.500 1.531 1.531 weight 1.000 spectrum  4 peak   504 ! spec=15N, no=504, id=426, vol=7.850000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name   HA) 3.500 1.531 1.531 weight 1.000 spectrum  4 peak   504 ! spec=15N, no=504, id=426, vol=7.850000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   35 and name   HA) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   505 ! spec=15N, no=505, id=427, vol=2.490000e+06
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   35 and name   HA) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   505 ! spec=15N, no=505, id=427, vol=2.490000e+06
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   35 and name   HA) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   505 ! spec=15N, no=505, id=427, vol=2.490000e+06
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   35 and name   HA) 2.887 1.042 1.042 weight 1.000 spectrum  4 peak   505 ! spec=15N, no=505, id=427, vol=2.490000e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HD#) 3.604 1.623 1.623 weight 1.000 spectrum  4 peak   507 ! spec=15N, no=507, id=429, vol=6.590000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HD#) 3.604 1.623 1.623 weight 1.000 spectrum  4 peak   507 ! spec=15N, no=507, id=429, vol=6.590000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HD#) 3.604 1.623 1.623 weight 1.000 spectrum  4 peak   507 ! spec=15N, no=507, id=429, vol=6.590000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HD#) 3.604 1.623 1.623 weight 1.000 spectrum  4 peak   507 ! spec=15N, no=507, id=429, vol=6.590000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   33 and name  HG#) 3.618 1.637 1.741 weight 1.000 spectrum  4 peak   509 ! spec=15N, no=509, id=431, vol=6.430000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   33 and name  HG#) 3.618 1.637 1.741 weight 1.000 spectrum  4 peak   509 ! spec=15N, no=509, id=431, vol=6.430000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   33 and name  HG#) 3.618 1.637 1.741 weight 1.000 spectrum  4 peak   509 ! spec=15N, no=509, id=431, vol=6.430000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   33 and name  HG#) 3.618 1.637 1.741 weight 1.000 spectrum  4 peak   509 ! spec=15N, no=509, id=431, vol=6.430000e+05
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   34 and name  HG#) 3.485 1.518 1.518 weight 1.000 spectrum  4 peak   512 ! spec=15N, no=512, id=434, vol=8.050000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   34 and name  HG#) 3.485 1.518 1.518 weight 1.000 spectrum  4 peak   512 ! spec=15N, no=512, id=434, vol=8.050000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   34 and name  HG#) 3.485 1.518 1.518 weight 1.000 spectrum  4 peak   512 ! spec=15N, no=512, id=434, vol=8.050000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   34 and name  HG#) 3.485 1.518 1.518 weight 1.000 spectrum  4 peak   512 ! spec=15N, no=512, id=434, vol=8.050000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   39 and name   HN) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   519 ! spec=15N, no=519, id=440, vol=4.200000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   39 and name   HN) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   519 ! spec=15N, no=519, id=440, vol=4.200000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   39 and name   HN) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   519 ! spec=15N, no=519, id=440, vol=4.200000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   39 and name   HN) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   519 ! spec=15N, no=519, id=440, vol=4.200000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   39 and name  HB#) 4.525 2.560 2.560 weight 1.000 spectrum  4 peak   521 ! spec=15N, no=521, id=442, vol=1.680000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   39 and name  HB#) 4.525 2.560 2.560 weight 1.000 spectrum  4 peak   521 ! spec=15N, no=521, id=442, vol=1.680000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   39 and name  HB#) 4.525 2.560 2.560 weight 1.000 spectrum  4 peak   521 ! spec=15N, no=521, id=442, vol=1.680000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   39 and name  HB#) 4.525 2.560 2.560 weight 1.000 spectrum  4 peak   521 ! spec=15N, no=521, id=442, vol=1.680000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   34 and name   HA) 4.052 2.052 2.052 weight 1.000 spectrum  4 peak   522 ! spec=15N, no=522, id=443, vol=3.260000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   34 and name   HA) 4.052 2.052 2.052 weight 1.000 spectrum  4 peak   522 ! spec=15N, no=522, id=443, vol=3.260000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   34 and name   HA) 4.052 2.052 2.052 weight 1.000 spectrum  4 peak   522 ! spec=15N, no=522, id=443, vol=3.260000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   34 and name   HA) 4.052 2.052 2.052 weight 1.000 spectrum  4 peak   522 ! spec=15N, no=522, id=443, vol=3.260000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HA) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   523 ! spec=15N, no=523, id=444, vol=4.220000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   37 and name   HA) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   523 ! spec=15N, no=523, id=444, vol=4.220000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   37 and name   HA) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   523 ! spec=15N, no=523, id=444, vol=4.220000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   37 and name   HA) 3.881 1.883 1.883 weight 1.000 spectrum  4 peak   523 ! spec=15N, no=523, id=444, vol=4.220000e+05
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   35 and name   HA) 3.284 1.348 1.348 weight 1.000 spectrum  4 peak   524 ! spec=15N, no=524, id=445, vol=1.150000e+06
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   35 and name   HA) 3.284 1.348 1.348 weight 1.000 spectrum  4 peak   524 ! spec=15N, no=524, id=445, vol=1.150000e+06
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   35 and name   HA) 3.284 1.348 1.348 weight 1.000 spectrum  4 peak   524 ! spec=15N, no=524, id=445, vol=1.150000e+06
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   35 and name   HA) 3.284 1.348 1.348 weight 1.000 spectrum  4 peak   524 ! spec=15N, no=524, id=445, vol=1.150000e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   36 and name   HA) 2.865 1.026 1.026 weight 1.000 spectrum  4 peak   526 ! spec=15N, no=526, id=447, vol=2.610000e+06
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   36 and name   HA) 2.865 1.026 1.026 weight 1.000 spectrum  4 peak   526 ! spec=15N, no=526, id=447, vol=2.610000e+06
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   36 and name   HA) 2.865 1.026 1.026 weight 1.000 spectrum  4 peak   526 ! spec=15N, no=526, id=447, vol=2.610000e+06
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   36 and name   HA) 2.865 1.026 1.026 weight 1.000 spectrum  4 peak   526 ! spec=15N, no=526, id=447, vol=2.610000e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   527 ! spec=15N, no=527, id=448, vol=4.170000e+05
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   37 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   527 ! spec=15N, no=527, id=448, vol=4.170000e+05
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   37 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   527 ! spec=15N, no=527, id=448, vol=4.170000e+05
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   37 and name  HB#) 3.889 1.891 1.891 weight 1.000 spectrum  4 peak   527 ! spec=15N, no=527, id=448, vol=4.170000e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name  HB#) 2.551 0.813 0.813 weight 1.000 spectrum  4 peak   540 ! spec=15N, no=540, id=457, vol=5.240000e+06
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   37 and name  HB#) 2.551 0.813 0.813 weight 1.000 spectrum  4 peak   540 ! spec=15N, no=540, id=457, vol=5.240000e+06
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name  HB#) 2.551 0.813 0.813 weight 1.000 spectrum  4 peak   540 ! spec=15N, no=540, id=457, vol=5.240000e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name  HB#) 2.551 0.813 0.813 weight 1.000 spectrum  4 peak   540 ! spec=15N, no=540, id=457, vol=5.240000e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   36 and name   HA) 3.226 1.301 1.301 weight 1.000 spectrum  4 peak   542 ! spec=15N, no=542, id=459, vol=1.280000e+06
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   36 and name   HA) 3.226 1.301 1.301 weight 1.000 spectrum  4 peak   542 ! spec=15N, no=542, id=459, vol=1.280000e+06
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   36 and name   HA) 3.226 1.301 1.301 weight 1.000 spectrum  4 peak   542 ! spec=15N, no=542, id=459, vol=1.280000e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   36 and name   HA) 3.226 1.301 1.301 weight 1.000 spectrum  4 peak   542 ! spec=15N, no=542, id=459, vol=1.280000e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   34 and name   HA) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   544 ! spec=15N, no=544, id=461, vol=1.670000e+06
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   34 and name   HA) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   544 ! spec=15N, no=544, id=461, vol=1.670000e+06
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   34 and name   HA) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   544 ! spec=15N, no=544, id=461, vol=1.670000e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   34 and name   HA) 3.086 1.191 1.191 weight 1.000 spectrum  4 peak   544 ! spec=15N, no=544, id=461, vol=1.670000e+06
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   37 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   545 ! spec=15N, no=545, id=462, vol=4.060000e+06
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   37 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   545 ! spec=15N, no=545, id=462, vol=4.060000e+06
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   37 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   545 ! spec=15N, no=545, id=462, vol=4.060000e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   37 and name   HA) 2.661 0.885 0.885 weight 1.000 spectrum  4 peak   545 ! spec=15N, no=545, id=462, vol=4.060000e+06
assign (segid "   A" and resid   36 and name   HN) (segid "   A" and resid   37 and name   HN) 2.628 0.863 0.863 weight 1.000 spectrum  4 peak   547 ! spec=15N, no=547, id=464, vol=4.380000e+06
assign (segid "   B" and resid   36 and name   HN) (segid "   B" and resid   37 and name   HN) 2.628 0.863 0.863 weight 1.000 spectrum  4 peak   547 ! spec=15N, no=547, id=464, vol=4.380000e+06
assign (segid "   C" and resid   36 and name   HN) (segid "   C" and resid   37 and name   HN) 2.628 0.863 0.863 weight 1.000 spectrum  4 peak   547 ! spec=15N, no=547, id=464, vol=4.380000e+06
assign (segid "   D" and resid   36 and name   HN) (segid "   D" and resid   37 and name   HN) 2.628 0.863 0.863 weight 1.000 spectrum  4 peak   547 ! spec=15N, no=547, id=464, vol=4.380000e+06
assign (segid "   A" and resid   35 and name   HN) (segid "   A" and resid   37 and name   HN) 3.406 1.450 1.450 weight 1.000 spectrum  4 peak   548 ! spec=15N, no=548, id=465, vol=9.250000e+05
assign (segid "   B" and resid   35 and name   HN) (segid "   B" and resid   37 and name   HN) 3.406 1.450 1.450 weight 1.000 spectrum  4 peak   548 ! spec=15N, no=548, id=465, vol=9.250000e+05
assign (segid "   C" and resid   35 and name   HN) (segid "   C" and resid   37 and name   HN) 3.406 1.450 1.450 weight 1.000 spectrum  4 peak   548 ! spec=15N, no=548, id=465, vol=9.250000e+05
assign (segid "   D" and resid   35 and name   HN) (segid "   D" and resid   37 and name   HN) 3.406 1.450 1.450 weight 1.000 spectrum  4 peak   548 ! spec=15N, no=548, id=465, vol=9.250000e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   39 and name   HN) 3.365 1.415 1.415 weight 1.000 spectrum  4 peak   549 ! spec=15N, no=549, id=466, vol=9.940000e+05
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   39 and name   HN) 3.365 1.415 1.415 weight 1.000 spectrum  4 peak   549 ! spec=15N, no=549, id=466, vol=9.940000e+05
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   39 and name   HN) 3.365 1.415 1.415 weight 1.000 spectrum  4 peak   549 ! spec=15N, no=549, id=466, vol=9.940000e+05
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   39 and name   HN) 3.365 1.415 1.415 weight 1.000 spectrum  4 peak   549 ! spec=15N, no=549, id=466, vol=9.940000e+05
assign (segid "   A" and resid   37 and name   HN) (segid "   A" and resid   38 and name   HN) 2.691 0.905 0.905 weight 1.000 spectrum  4 peak   551 ! spec=15N, no=551, id=468, vol=3.800000e+06
assign (segid "   B" and resid   37 and name   HN) (segid "   B" and resid   38 and name   HN) 2.691 0.905 0.905 weight 1.000 spectrum  4 peak   551 ! spec=15N, no=551, id=468, vol=3.800000e+06
assign (segid "   C" and resid   37 and name   HN) (segid "   C" and resid   38 and name   HN) 2.691 0.905 0.905 weight 1.000 spectrum  4 peak   551 ! spec=15N, no=551, id=468, vol=3.800000e+06
assign (segid "   D" and resid   37 and name   HN) (segid "   D" and resid   38 and name   HN) 2.691 0.905 0.905 weight 1.000 spectrum  4 peak   551 ! spec=15N, no=551, id=468, vol=3.800000e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   34 and name   HA) 3.430 1.471 1.471 weight 1.000 spectrum  4 peak   552 ! spec=15N, no=552, id=469, vol=8.860000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   34 and name   HA) 3.430 1.471 1.471 weight 1.000 spectrum  4 peak   552 ! spec=15N, no=552, id=469, vol=8.860000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   34 and name   HA) 3.430 1.471 1.471 weight 1.000 spectrum  4 peak   552 ! spec=15N, no=552, id=469, vol=8.860000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   34 and name   HA) 3.430 1.471 1.471 weight 1.000 spectrum  4 peak   552 ! spec=15N, no=552, id=469, vol=8.860000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   38 and name  HB#) 2.439 0.744 0.744 weight 1.000 spectrum  4 peak   555 ! spec=15N, no=555, id=472, vol=6.850000e+06
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   38 and name  HB#) 2.439 0.744 0.744 weight 1.000 spectrum  4 peak   555 ! spec=15N, no=555, id=472, vol=6.850000e+06
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   38 and name  HB#) 2.439 0.744 0.744 weight 1.000 spectrum  4 peak   555 ! spec=15N, no=555, id=472, vol=6.850000e+06
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   38 and name  HB#) 2.439 0.744 0.744 weight 1.000 spectrum  4 peak   555 ! spec=15N, no=555, id=472, vol=6.850000e+06
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   36 and name   HA) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   556 ! spec=15N, no=556, id=473, vol=5.100000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   36 and name   HA) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   556 ! spec=15N, no=556, id=473, vol=5.100000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   36 and name   HA) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   556 ! spec=15N, no=556, id=473, vol=5.100000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   36 and name   HA) 3.761 1.768 1.768 weight 1.000 spectrum  4 peak   556 ! spec=15N, no=556, id=473, vol=5.100000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name  HB#) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   557 ! spec=15N, no=557, id=474, vol=5.370000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   39 and name  HB#) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   557 ! spec=15N, no=557, id=474, vol=5.370000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   39 and name  HB#) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   557 ! spec=15N, no=557, id=474, vol=5.370000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   39 and name  HB#) 3.729 1.738 1.738 weight 1.000 spectrum  4 peak   557 ! spec=15N, no=557, id=474, vol=5.370000e+05
assign (segid "   A" and resid   38 and name   HN) (segid "   A" and resid   39 and name  HB#) 3.770 1.776 1.776 weight 1.000 spectrum  4 peak   558 ! spec=15N, no=558, id=475, vol=5.030000e+05
assign (segid "   B" and resid   38 and name   HN) (segid "   B" and resid   39 and name  HB#) 3.770 1.776 1.776 weight 1.000 spectrum  4 peak   558 ! spec=15N, no=558, id=475, vol=5.030000e+05
assign (segid "   C" and resid   38 and name   HN) (segid "   C" and resid   39 and name  HB#) 3.770 1.776 1.776 weight 1.000 spectrum  4 peak   558 ! spec=15N, no=558, id=475, vol=5.030000e+05
assign (segid "   D" and resid   38 and name   HN) (segid "   D" and resid   39 and name  HB#) 3.770 1.776 1.776 weight 1.000 spectrum  4 peak   558 ! spec=15N, no=558, id=475, vol=5.030000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name   HN) 2.778 0.965 0.965 weight 1.000 spectrum  4 peak   563 ! spec=15N, no=563, id=479, vol=3.140000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name   HN) 2.778 0.965 0.965 weight 1.000 spectrum  4 peak   563 ! spec=15N, no=563, id=479, vol=3.140000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name   HN) 2.778 0.965 0.965 weight 1.000 spectrum  4 peak   563 ! spec=15N, no=563, id=479, vol=3.140000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name   HN) 2.778 0.965 0.965 weight 1.000 spectrum  4 peak   563 ! spec=15N, no=563, id=479, vol=3.140000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HD#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   564 ! spec=15N, no=564, id=480, vol=2.190000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   39 and name  HD#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   564 ! spec=15N, no=564, id=480, vol=2.190000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HD#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   564 ! spec=15N, no=564, id=480, vol=2.190000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HD#) 2.950 1.088 1.088 weight 1.000 spectrum  4 peak   564 ! spec=15N, no=564, id=480, vol=2.190000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   38 and name   HN) 2.779 0.966 0.966 weight 1.000 spectrum  4 peak   566 ! spec=15N, no=566, id=482, vol=3.130000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   38 and name   HN) 2.779 0.966 0.966 weight 1.000 spectrum  4 peak   566 ! spec=15N, no=566, id=482, vol=3.130000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   38 and name   HN) 2.779 0.966 0.966 weight 1.000 spectrum  4 peak   566 ! spec=15N, no=566, id=482, vol=3.130000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   38 and name   HN) 2.779 0.966 0.966 weight 1.000 spectrum  4 peak   566 ! spec=15N, no=566, id=482, vol=3.130000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   37 and name   HA) 3.840 1.843 1.843 weight 1.000 spectrum  4 peak   567 ! spec=15N, no=567, id=483, vol=4.500000e+05
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   37 and name   HA) 3.840 1.843 1.843 weight 1.000 spectrum  4 peak   567 ! spec=15N, no=567, id=483, vol=4.500000e+05
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   37 and name   HA) 3.840 1.843 1.843 weight 1.000 spectrum  4 peak   567 ! spec=15N, no=567, id=483, vol=4.500000e+05
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   37 and name   HA) 3.840 1.843 1.843 weight 1.000 spectrum  4 peak   567 ! spec=15N, no=567, id=483, vol=4.500000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name   HA) 2.609 0.851 0.851 weight 1.000 spectrum  4 peak   568 ! spec=15N, no=568, id=484, vol=4.580000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   39 and name   HA) 2.609 0.851 0.851 weight 1.000 spectrum  4 peak   568 ! spec=15N, no=568, id=484, vol=4.580000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name   HA) 2.609 0.851 0.851 weight 1.000 spectrum  4 peak   568 ! spec=15N, no=568, id=484, vol=4.580000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name   HA) 2.609 0.851 0.851 weight 1.000 spectrum  4 peak   568 ! spec=15N, no=568, id=484, vol=4.580000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   40 and name   HA) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   570 ! spec=15N, no=570, id=486, vol=3.900000e+05
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   40 and name   HA) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   570 ! spec=15N, no=570, id=486, vol=3.900000e+05
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   40 and name   HA) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   570 ! spec=15N, no=570, id=486, vol=3.900000e+05
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   40 and name   HA) 3.933 1.933 1.933 weight 1.000 spectrum  4 peak   570 ! spec=15N, no=570, id=486, vol=3.900000e+05
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   36 and name   HA) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak   571 ! spec=15N, no=571, id=487, vol=1.850000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   36 and name   HA) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak   571 ! spec=15N, no=571, id=487, vol=1.850000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   36 and name   HA) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak   571 ! spec=15N, no=571, id=487, vol=1.850000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   36 and name   HA) 3.034 1.151 1.151 weight 1.000 spectrum  4 peak   571 ! spec=15N, no=571, id=487, vol=1.850000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB#) 2.523 0.795 0.795 weight 1.000 spectrum  4 peak   572 ! spec=15N, no=572, id=488, vol=5.600000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   39 and name  HB#) 2.523 0.795 0.795 weight 1.000 spectrum  4 peak   572 ! spec=15N, no=572, id=488, vol=5.600000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HB#) 2.523 0.795 0.795 weight 1.000 spectrum  4 peak   572 ! spec=15N, no=572, id=488, vol=5.600000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HB#) 2.523 0.795 0.795 weight 1.000 spectrum  4 peak   572 ! spec=15N, no=572, id=488, vol=5.600000e+06
assign (segid "   A" and resid   39 and name   HN) (segid "   A" and resid   39 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  4 peak   573 ! spec=15N, no=573, id=489, vol=5.170000e+06
assign (segid "   B" and resid   39 and name   HN) (segid "   B" and resid   39 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  4 peak   573 ! spec=15N, no=573, id=489, vol=5.170000e+06
assign (segid "   C" and resid   39 and name   HN) (segid "   C" and resid   39 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  4 peak   573 ! spec=15N, no=573, id=489, vol=5.170000e+06
assign (segid "   D" and resid   39 and name   HN) (segid "   D" and resid   39 and name  HB#) 2.556 0.817 0.817 weight 1.000 spectrum  4 peak   573 ! spec=15N, no=573, id=489, vol=5.170000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HD#) 2.985 1.114 1.114 weight 1.000 spectrum  4 peak   584 ! spec=15N, no=584, id=497, vol=2.040000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name  HD#) 2.985 1.114 1.114 weight 1.000 spectrum  4 peak   584 ! spec=15N, no=584, id=497, vol=2.040000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name  HD#) 2.985 1.114 1.114 weight 1.000 spectrum  4 peak   584 ! spec=15N, no=584, id=497, vol=2.040000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   39 and name  HD#) 2.985 1.114 1.114 weight 1.000 spectrum  4 peak   584 ! spec=15N, no=584, id=497, vol=2.040000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HE#) 4.010 2.010 2.010 weight 1.000 spectrum  4 peak   585 ! spec=15N, no=585, id=498, vol=3.470000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name  HE#) 4.010 2.010 2.010 weight 1.000 spectrum  4 peak   585 ! spec=15N, no=585, id=498, vol=3.470000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name  HE#) 4.010 2.010 2.010 weight 1.000 spectrum  4 peak   585 ! spec=15N, no=585, id=498, vol=3.470000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   39 and name  HE#) 4.010 2.010 2.010 weight 1.000 spectrum  4 peak   585 ! spec=15N, no=585, id=498, vol=3.470000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   37 and name   HA) 3.309 1.368 1.368 weight 1.000 spectrum  4 peak   586 ! spec=15N, no=586, id=499, vol=1.100000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   37 and name   HA) 3.309 1.368 1.368 weight 1.000 spectrum  4 peak   586 ! spec=15N, no=586, id=499, vol=1.100000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   37 and name   HA) 3.309 1.368 1.368 weight 1.000 spectrum  4 peak   586 ! spec=15N, no=586, id=499, vol=1.100000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   37 and name   HA) 3.309 1.368 1.368 weight 1.000 spectrum  4 peak   586 ! spec=15N, no=586, id=499, vol=1.100000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name   HA) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   587 ! spec=15N, no=587, id=500, vol=1.050000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name   HA) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   587 ! spec=15N, no=587, id=500, vol=1.050000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name   HA) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   587 ! spec=15N, no=587, id=500, vol=1.050000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   39 and name   HA) 3.334 1.390 1.390 weight 1.000 spectrum  4 peak   587 ! spec=15N, no=587, id=500, vol=1.050000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   40 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  4 peak   588 ! spec=15N, no=588, id=501, vol=2.380000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   40 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  4 peak   588 ! spec=15N, no=588, id=501, vol=2.380000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   40 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  4 peak   588 ! spec=15N, no=588, id=501, vol=2.380000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   40 and name   HA) 2.909 1.058 1.058 weight 1.000 spectrum  4 peak   588 ! spec=15N, no=588, id=501, vol=2.380000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   36 and name   HA) 3.625 1.643 1.643 weight 1.000 spectrum  4 peak   589 ! spec=15N, no=589, id=502, vol=6.360000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   36 and name   HA) 3.625 1.643 1.643 weight 1.000 spectrum  4 peak   589 ! spec=15N, no=589, id=502, vol=6.360000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   36 and name   HA) 3.625 1.643 1.643 weight 1.000 spectrum  4 peak   589 ! spec=15N, no=589, id=502, vol=6.360000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   36 and name   HA) 3.625 1.643 1.643 weight 1.000 spectrum  4 peak   589 ! spec=15N, no=589, id=502, vol=6.360000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB#) 3.018 1.138 1.138 weight 1.000 spectrum  4 peak   590 ! spec=15N, no=590, id=503, vol=1.910000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name  HB#) 3.018 1.138 1.138 weight 1.000 spectrum  4 peak   590 ! spec=15N, no=590, id=503, vol=1.910000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name  HB#) 3.018 1.138 1.138 weight 1.000 spectrum  4 peak   590 ! spec=15N, no=590, id=503, vol=1.910000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   39 and name  HB#) 3.018 1.138 1.138 weight 1.000 spectrum  4 peak   590 ! spec=15N, no=590, id=503, vol=1.910000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   39 and name  HB#) 3.096 1.198 1.198 weight 1.000 spectrum  4 peak   591 ! spec=15N, no=591, id=504, vol=1.640000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   39 and name  HB#) 3.096 1.198 1.198 weight 1.000 spectrum  4 peak   591 ! spec=15N, no=591, id=504, vol=1.640000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   39 and name  HB#) 3.096 1.198 1.198 weight 1.000 spectrum  4 peak   591 ! spec=15N, no=591, id=504, vol=1.640000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   39 and name  HB#) 3.096 1.198 1.198 weight 1.000 spectrum  4 peak   591 ! spec=15N, no=591, id=504, vol=1.640000e+06
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   41 and name   HN) 2.667 0.889 0.889 weight 1.000 spectrum  4 peak   599 ! spec=15N, no=599, id=510, vol=4.010000e+06
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   41 and name   HN) 2.667 0.889 0.889 weight 1.000 spectrum  4 peak   599 ! spec=15N, no=599, id=510, vol=4.010000e+06
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   41 and name   HN) 2.667 0.889 0.889 weight 1.000 spectrum  4 peak   599 ! spec=15N, no=599, id=510, vol=4.010000e+06
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   41 and name   HN) 2.667 0.889 0.889 weight 1.000 spectrum  4 peak   599 ! spec=15N, no=599, id=510, vol=4.010000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   42 and name   HN) 2.471 0.763 0.763 weight 1.000 spectrum  4 peak   600 ! spec=15N, no=600, id=511, vol=6.340000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   42 and name   HN) 2.471 0.763 0.763 weight 1.000 spectrum  4 peak   600 ! spec=15N, no=600, id=511, vol=6.340000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   42 and name   HN) 2.471 0.763 0.763 weight 1.000 spectrum  4 peak   600 ! spec=15N, no=600, id=511, vol=6.340000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   42 and name   HN) 2.471 0.763 0.763 weight 1.000 spectrum  4 peak   600 ! spec=15N, no=600, id=511, vol=6.340000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HD#) 3.880 1.882 1.882 weight 1.000 spectrum  4 peak   601 ! spec=15N, no=601, id=512, vol=4.230000e+05
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   39 and name  HD#) 3.880 1.882 1.882 weight 1.000 spectrum  4 peak   601 ! spec=15N, no=601, id=512, vol=4.230000e+05
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name  HD#) 3.880 1.882 1.882 weight 1.000 spectrum  4 peak   601 ! spec=15N, no=601, id=512, vol=4.230000e+05
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   39 and name  HD#) 3.880 1.882 1.882 weight 1.000 spectrum  4 peak   601 ! spec=15N, no=601, id=512, vol=4.230000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   37 and name   HA) 3.494 1.526 1.526 weight 1.000 spectrum  4 peak   603 ! spec=15N, no=603, id=514, vol=7.930000e+05
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   37 and name   HA) 3.494 1.526 1.526 weight 1.000 spectrum  4 peak   603 ! spec=15N, no=603, id=514, vol=7.930000e+05
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   37 and name   HA) 3.494 1.526 1.526 weight 1.000 spectrum  4 peak   603 ! spec=15N, no=603, id=514, vol=7.930000e+05
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   37 and name   HA) 3.494 1.526 1.526 weight 1.000 spectrum  4 peak   603 ! spec=15N, no=603, id=514, vol=7.930000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   41 and name   HA) 2.490 0.775 0.775 weight 1.000 spectrum  4 peak   605 ! spec=15N, no=605, id=516, vol=6.050000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   41 and name   HA) 2.490 0.775 0.775 weight 1.000 spectrum  4 peak   605 ! spec=15N, no=605, id=516, vol=6.050000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   41 and name   HA) 2.490 0.775 0.775 weight 1.000 spectrum  4 peak   605 ! spec=15N, no=605, id=516, vol=6.050000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   41 and name   HA) 2.490 0.775 0.775 weight 1.000 spectrum  4 peak   605 ! spec=15N, no=605, id=516, vol=6.050000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name   HA) 3.108 1.208 1.208 weight 1.000 spectrum  4 peak   606 ! spec=15N, no=606, id=517, vol=1.600000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   40 and name   HA) 3.108 1.208 1.208 weight 1.000 spectrum  4 peak   606 ! spec=15N, no=606, id=517, vol=1.600000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name   HA) 3.108 1.208 1.208 weight 1.000 spectrum  4 peak   606 ! spec=15N, no=606, id=517, vol=1.600000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   40 and name   HA) 3.108 1.208 1.208 weight 1.000 spectrum  4 peak   606 ! spec=15N, no=606, id=517, vol=1.600000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   39 and name  HB#) 4.176 2.180 2.180 weight 1.000 spectrum  4 peak   607 ! spec=15N, no=607, id=518, vol=2.720000e+05
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   39 and name  HB#) 4.176 2.180 2.180 weight 1.000 spectrum  4 peak   607 ! spec=15N, no=607, id=518, vol=2.720000e+05
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   39 and name  HB#) 4.176 2.180 2.180 weight 1.000 spectrum  4 peak   607 ! spec=15N, no=607, id=518, vol=2.720000e+05
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   39 and name  HB#) 4.176 2.180 2.180 weight 1.000 spectrum  4 peak   607 ! spec=15N, no=607, id=518, vol=2.720000e+05
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB#) 2.843 1.011 1.011 weight 1.000 spectrum  4 peak   611 ! spec=15N, no=611, id=522, vol=2.730000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   40 and name  HB#) 2.843 1.011 1.011 weight 1.000 spectrum  4 peak   611 ! spec=15N, no=611, id=522, vol=2.730000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HB#) 2.843 1.011 1.011 weight 1.000 spectrum  4 peak   611 ! spec=15N, no=611, id=522, vol=2.730000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   40 and name  HB#) 2.843 1.011 1.011 weight 1.000 spectrum  4 peak   611 ! spec=15N, no=611, id=522, vol=2.730000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HB#) 3.005 1.129 1.129 weight 1.000 spectrum  4 peak   612 ! spec=15N, no=612, id=523, vol=1.960000e+06
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   40 and name  HB#) 3.005 1.129 1.129 weight 1.000 spectrum  4 peak   612 ! spec=15N, no=612, id=523, vol=1.960000e+06
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HB#) 3.005 1.129 1.129 weight 1.000 spectrum  4 peak   612 ! spec=15N, no=612, id=523, vol=1.960000e+06
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   40 and name  HB#) 3.005 1.129 1.129 weight 1.000 spectrum  4 peak   612 ! spec=15N, no=612, id=523, vol=1.960000e+06
assign (segid "   A" and resid   41 and name   HN) (segid "   A" and resid   40 and name  HG#) 3.565 1.589 1.589 weight 1.000 spectrum  4 peak   613 ! spec=15N, no=613, id=524, vol=7.030000e+05
assign (segid "   B" and resid   41 and name   HN) (segid "   B" and resid   40 and name  HG#) 3.565 1.589 1.589 weight 1.000 spectrum  4 peak   613 ! spec=15N, no=613, id=524, vol=7.030000e+05
assign (segid "   C" and resid   41 and name   HN) (segid "   C" and resid   40 and name  HG#) 3.565 1.589 1.589 weight 1.000 spectrum  4 peak   613 ! spec=15N, no=613, id=524, vol=7.030000e+05
assign (segid "   D" and resid   41 and name   HN) (segid "   D" and resid   40 and name  HG#) 3.565 1.589 1.589 weight 1.000 spectrum  4 peak   613 ! spec=15N, no=613, id=524, vol=7.030000e+05
assign (segid "   A" and resid   40 and name   HN) (segid "   A" and resid   42 and name   HN) 3.669 1.682 1.682 weight 1.000 spectrum  4 peak   614 ! spec=15N, no=614, id=525, vol=5.920000e+05
assign (segid "   B" and resid   40 and name   HN) (segid "   B" and resid   42 and name   HN) 3.669 1.682 1.682 weight 1.000 spectrum  4 peak   614 ! spec=15N, no=614, id=525, vol=5.920000e+05
assign (segid "   C" and resid   40 and name   HN) (segid "   C" and resid   42 and name   HN) 3.669 1.682 1.682 weight 1.000 spectrum  4 peak   614 ! spec=15N, no=614, id=525, vol=5.920000e+05
assign (segid "   D" and resid   40 and name   HN) (segid "   D" and resid   42 and name   HN) 3.669 1.682 1.682 weight 1.000 spectrum  4 peak   614 ! spec=15N, no=614, id=525, vol=5.920000e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   40 and name   HA) 3.637 1.654 1.654 weight 1.000 spectrum  4 peak   619 ! spec=15N, no=619, id=530, vol=6.230000e+05
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   40 and name   HA) 3.637 1.654 1.654 weight 1.000 spectrum  4 peak   619 ! spec=15N, no=619, id=530, vol=6.230000e+05
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   40 and name   HA) 3.637 1.654 1.654 weight 1.000 spectrum  4 peak   619 ! spec=15N, no=619, id=530, vol=6.230000e+05
assign (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   40 and name   HA) 3.637 1.654 1.654 weight 1.000 spectrum  4 peak   619 ! spec=15N, no=619, id=530, vol=6.230000e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   39 and name  HD#) 3.713 1.723 1.723 weight 1.000 spectrum  4 peak   624 ! spec=15N, no=624, id=535, vol=5.510000e+05
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   39 and name  HD#) 3.713 1.723 1.723 weight 1.000 spectrum  4 peak   624 ! spec=15N, no=624, id=535, vol=5.510000e+05
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   39 and name  HD#) 3.713 1.723 1.723 weight 1.000 spectrum  4 peak   624 ! spec=15N, no=624, id=535, vol=5.510000e+05
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   39 and name  HD#) 3.713 1.723 1.723 weight 1.000 spectrum  4 peak   624 ! spec=15N, no=624, id=535, vol=5.510000e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD2#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   625 ! spec=15N, no=625, id=536, vol=7.470000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   14 and name HD2#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   625 ! spec=15N, no=625, id=536, vol=7.470000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   14 and name HD2#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   625 ! spec=15N, no=625, id=536, vol=7.470000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   14 and name HD2#) 3.529 1.557 1.557 weight 1.000 spectrum  4 peak   625 ! spec=15N, no=625, id=536, vol=7.470000e+05
assign (segid "   A" and resid   43 and name   HN) (segid "   A" and resid   40 and name   HA) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   629 ! spec=15N, no=629, id=540, vol=1.500000e+06
assign (segid "   B" and resid   43 and name   HN) (segid "   B" and resid   40 and name   HA) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   629 ! spec=15N, no=629, id=540, vol=1.500000e+06
assign (segid "   C" and resid   43 and name   HN) (segid "   C" and resid   40 and name   HA) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   629 ! spec=15N, no=629, id=540, vol=1.500000e+06
assign (segid "   D" and resid   43 and name   HN) (segid "   D" and resid   40 and name   HA) 3.142 1.234 1.234 weight 1.000 spectrum  4 peak   629 ! spec=15N, no=629, id=540, vol=1.500000e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   17 and name HD1#) 3.969 1.969 1.969 weight 1.000 spectrum  4 peak   636 ! spec=15N, no=636, id=547, vol=3.690000e+05
assign (segid "   B" and resid   14 and name   HN) (segid "   B" and resid   17 and name HD1#) 3.969 1.969 1.969 weight 1.000 spectrum  4 peak   636 ! spec=15N, no=636, id=547, vol=3.690000e+05
assign (segid "   C" and resid   14 and name   HN) (segid "   C" and resid   17 and name HD1#) 3.969 1.969 1.969 weight 1.000 spectrum  4 peak   636 ! spec=15N, no=636, id=547, vol=3.690000e+05
assign (segid "   D" and resid   14 and name   HN) (segid "   D" and resid   17 and name HD1#) 3.969 1.969 1.969 weight 1.000 spectrum  4 peak   636 ! spec=15N, no=636, id=547, vol=3.690000e+05
assign (segid "   A" and resid   44 and name   HN) (segid "   A" and resid   43 and name   HA) 2.679 0.897 0.897 weight 1.000 spectrum  4 peak   639 ! spec=15N, no=639, id=550, vol=3.900000e+06
assign (segid "   B" and resid   44 and name   HN) (segid "   B" and resid   43 and name   HA) 2.679 0.897 0.897 weight 1.000 spectrum  4 peak   639 ! spec=15N, no=639, id=550, vol=3.900000e+06
assign (segid "   C" and resid   44 and name   HN) (segid "   C" and resid   43 and name   HA) 2.679 0.897 0.897 weight 1.000 spectrum  4 peak   639 ! spec=15N, no=639, id=550, vol=3.900000e+06
assign (segid "   D" and resid   44 and name   HN) (segid "   D" and resid   43 and name   HA) 2.679 0.897 0.897 weight 1.000 spectrum  4 peak   639 ! spec=15N, no=639, id=550, vol=3.900000e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HB#) 2.664 0.887 0.887 weight 1.000 spectrum  4 peak   663 ! spec=15N, no=663, id=574, vol=4.040000e+06
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HB#) 2.664 0.887 0.887 weight 1.000 spectrum  4 peak   663 ! spec=15N, no=663, id=574, vol=4.040000e+06
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HB#) 2.664 0.887 0.887 weight 1.000 spectrum  4 peak   663 ! spec=15N, no=663, id=574, vol=4.040000e+06
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HB#) 2.664 0.887 0.887 weight 1.000 spectrum  4 peak   663 ! spec=15N, no=663, id=574, vol=4.040000e+06
assign (segid "   A" and resid   47 and name   HN) (segid "   A" and resid   47 and name  HG#) 2.785 0.970 1.642 weight 1.000 spectrum  4 peak   665 ! spec=15N, no=665, id=576, vol=3.090000e+06
assign (segid "   B" and resid   47 and name   HN) (segid "   B" and resid   47 and name  HG#) 2.785 0.970 1.642 weight 1.000 spectrum  4 peak   665 ! spec=15N, no=665, id=576, vol=3.090000e+06
assign (segid "   C" and resid   47 and name   HN) (segid "   C" and resid   47 and name  HG#) 2.785 0.970 1.642 weight 1.000 spectrum  4 peak   665 ! spec=15N, no=665, id=576, vol=3.090000e+06
assign (segid "   D" and resid   47 and name   HN) (segid "   D" and resid   47 and name  HG#) 2.785 0.970 1.642 weight 1.000 spectrum  4 peak   665 ! spec=15N, no=665, id=576, vol=3.090000e+06
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   47 and name   HA) 2.219 0.615 0.971 weight 1.000 spectrum  4 peak   669 ! spec=15N, no=669, id=579, vol=1.210000e+07
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   47 and name   HA) 2.219 0.615 0.971 weight 1.000 spectrum  4 peak   669 ! spec=15N, no=669, id=579, vol=1.210000e+07
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   47 and name   HA) 2.219 0.615 0.971 weight 1.000 spectrum  4 peak   669 ! spec=15N, no=669, id=579, vol=1.210000e+07
assign (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   47 and name   HA) 2.219 0.615 0.971 weight 1.000 spectrum  4 peak   669 ! spec=15N, no=669, id=579, vol=1.210000e+07
assign (segid "   A" and resid   48 and name   HN) (segid "   A" and resid   48 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  4 peak   670 ! spec=15N, no=670, id=580, vol=3.880000e+06
assign (segid "   B" and resid   48 and name   HN) (segid "   B" and resid   48 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  4 peak   670 ! spec=15N, no=670, id=580, vol=3.880000e+06
assign (segid "   C" and resid   48 and name   HN) (segid "   C" and resid   48 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  4 peak   670 ! spec=15N, no=670, id=580, vol=3.880000e+06
assign (segid "   D" and resid   48 and name   HN) (segid "   D" and resid   48 and name   HA) 2.682 0.899 0.899 weight 1.000 spectrum  4 peak   670 ! spec=15N, no=670, id=580, vol=3.880000e+06
assign (segid "   A" and resid   40 and name   HE) (segid "   A" and resid   40 and name  HG#) 4.034 2.034 2.034 weight 1.000 spectrum  4 peak   677 ! spec=15N, no=677, id=585, vol=3.350000e+05
assign (segid "   B" and resid   40 and name   HE) (segid "   B" and resid   40 and name  HG#) 4.034 2.034 2.034 weight 1.000 spectrum  4 peak   677 ! spec=15N, no=677, id=585, vol=3.350000e+05
assign (segid "   C" and resid   40 and name   HE) (segid "   C" and resid   40 and name  HG#) 4.034 2.034 2.034 weight 1.000 spectrum  4 peak   677 ! spec=15N, no=677, id=585, vol=3.350000e+05
assign (segid "   D" and resid   40 and name   HE) (segid "   D" and resid   40 and name  HG#) 4.034 2.034 2.034 weight 1.000 spectrum  4 peak   677 ! spec=15N, no=677, id=585, vol=3.350000e+05
assign (segid "   A" and resid   40 and name   HE) (segid "   A" and resid   40 and name   HA) 5.116 3.271 3.271 weight 1.000 spectrum  4 peak   679 ! spec=15N, no=679, id=587, vol=8.050000e+04
assign (segid "   B" and resid   40 and name   HE) (segid "   B" and resid   40 and name   HA) 5.116 3.271 3.271 weight 1.000 spectrum  4 peak   679 ! spec=15N, no=679, id=587, vol=8.050000e+04
assign (segid "   C" and resid   40 and name   HE) (segid "   C" and resid   40 and name   HA) 5.116 3.271 3.271 weight 1.000 spectrum  4 peak   679 ! spec=15N, no=679, id=587, vol=8.050000e+04
assign (segid "   D" and resid   40 and name   HE) (segid "   D" and resid   40 and name   HA) 5.116 3.271 3.271 weight 1.000 spectrum  4 peak   679 ! spec=15N, no=679, id=587, vol=8.050000e+04
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HD#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   691 ! spec=15N, no=691, id=590, vol=4.200000e+05
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HD#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   691 ! spec=15N, no=691, id=590, vol=4.200000e+05
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HD#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   691 ! spec=15N, no=691, id=590, vol=4.200000e+05
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HD#) 3.885 1.886 1.886 weight 1.000 spectrum  4 peak   691 ! spec=15N, no=691, id=590, vol=4.200000e+05
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HB#) 5.182 3.357 3.357 weight 1.000 spectrum  4 peak   692 ! spec=15N, no=692, id=591, vol=7.450000e+04
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HB#) 5.182 3.357 3.357 weight 1.000 spectrum  4 peak   692 ! spec=15N, no=692, id=591, vol=7.450000e+04
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HB#) 5.182 3.357 3.357 weight 1.000 spectrum  4 peak   692 ! spec=15N, no=692, id=591, vol=7.450000e+04
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HB#) 5.182 3.357 3.357 weight 1.000 spectrum  4 peak   692 ! spec=15N, no=692, id=591, vol=7.450000e+04
assign (segid "   A" and resid   10 and name   HE) (segid "   A" and resid   10 and name  HB#) 5.258 3.456 3.456 weight 1.000 spectrum  4 peak   693 ! spec=15N, no=693, id=592, vol=6.830000e+04
assign (segid "   B" and resid   10 and name   HE) (segid "   B" and resid   10 and name  HB#) 5.258 3.456 3.456 weight 1.000 spectrum  4 peak   693 ! spec=15N, no=693, id=592, vol=6.830000e+04
assign (segid "   C" and resid   10 and name   HE) (segid "   C" and resid   10 and name  HB#) 5.258 3.456 3.456 weight 1.000 spectrum  4 peak   693 ! spec=15N, no=693, id=592, vol=6.830000e+04
assign (segid "   D" and resid   10 and name   HE) (segid "   D" and resid   10 and name  HB#) 5.258 3.456 3.456 weight 1.000 spectrum  4 peak   693 ! spec=15N, no=693, id=592, vol=6.830000e+04

assign      {         1         }
(        segid "   A"         and       resid     3         and       name      HA           )
(        segid "   B"         and       resid     12        and       name      HD#          )
3.518     1.547     2.974     weight    1.000    peak      1         spectrum  5          !vol=6.53E+05  ppm1      4.597     ppm2      3.096     CV        1

assign      {         2         }
(        segid "   A"         and       resid     4         and       name      HA           )
(        segid "   B"         and       resid     10        and       name      HB2          )
3.129     1.224     1.224     weight    1.000    peak      2         spectrum  5          !vol=1.32E+06  ppm1      4.636     ppm2      1.834     CV        1

assign      {         3         }
(        segid "   A"         and       resid     4         and       name      HA           )
(        segid "   B"         and       resid     10        and       name      HB1          )
3.188     1.270     1.270     weight    1.000    peak      3         spectrum  5          !vol=1.18E+06  ppm1      4.638     ppm2      1.719     CV        1

assign      {         4         }
(        segid "   A"         and       resid     4         and       name      HA           )
(        segid "   B"         and       resid     10        and       name      HD#          )
3.246     1.317     1.317     weight    1.000    peak      4         spectrum  5          !vol=1.06E+06  ppm1      4.629     ppm2      3.216     CV        1

assign      {         5         }
(        segid "   A"         and       resid     4         and       name      HA           )
(        segid "   B"         and       resid     10        and       name      HG2          )
2.977     1.108     1.108     weight    1.000    peak      5         spectrum  5          !vol=1.78E+06  ppm1      4.637     ppm2      1.608     CV        1

assign      {         6         }
(        segid "   A"         and       resid     4         and       name      HA           )
(        segid "   B"         and       resid     10        and       name      HG1          )
2.980     1.110     1.370     weight    1.000    peak      6         spectrum  5          !vol=1.77E+06  ppm1      4.636     ppm2      1.561     CV        1

assign      {         7         }
(        segid "   A"         and       resid     4         and       name      HB#          )
(        segid "   B"         and       resid     10        and       name      HA           )
3.416     1.458     1.458     weight    1.000    peak      7         spectrum  5          !vol=7.80E+05  ppm1      3.717     ppm2      4.876     CV        1

assign      {         8         }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     9         and       name      HB           )
3.390     1.436     1.436     weight    1.000    peak      8         spectrum  5          !vol=8.17E+05  ppm1      6.538     ppm2      1.863     CV        1

assign      {         9         }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     9         and       name      HG1#         )
2.682     0.899     1.010     weight    1.000    peak      9         spectrum  5          !vol=3.33E+06  ppm1      6.539     ppm2      0.943     CV        1

assign      {         10        }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     10        and       name      HA           )
3.315     1.374     1.374     weight    1.000    peak      10        spectrum  5          !vol=9.33E+05  ppm1      6.537     ppm2      4.875     CV        1

assign      {         11        }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     15        and       name      HA           )
3.674     1.687     1.803     weight    1.000    peak      11        spectrum  5          !vol=5.04E+05  ppm1      6.555     ppm2      3.907     CV        1

assign      {         12        }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     15        and       name      HB2          )
3.666     1.680     1.680     weight    1.000    peak      12        spectrum  5          !vol=5.10E+05  ppm1      6.531     ppm2      2.780     CV        1

assign      {         13        }
(        segid "   A"         and       resid     5         and       name      HD#          )
(        segid "   B"         and       resid     15        and       name      HB1          )
3.702     1.713     1.713     weight    1.000    peak      13        spectrum  5          !vol=4.81E+05  ppm1      6.538     ppm2      2.627     CV        1

assign      {         14        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HA           )
2.844     1.011     1.011     weight    1.000    peak      14        spectrum  5          !vol=2.34E+06  ppm1      6.503     ppm2      3.456     CV        1

assign      {         15        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HB2          )
3.301     1.362     1.362     weight    1.000    peak      15        spectrum  5          !vol=9.57E+05  ppm1      6.502     ppm2      2.028     CV        1

assign      {         16        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HB1          )
3.422     1.463     1.463     weight    1.000    peak      16        spectrum  5          !vol=7.72E+05  ppm1      6.498     ppm2      1.841     CV        1

assign      {         17        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HD#          )
2.682     0.899     0.899     weight    1.000    peak      17        spectrum  5          !vol=3.33E+06  ppm1      6.502     ppm2      3.096     CV        1

assign      {         18        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HG2          )
3.316     1.374     1.594     weight    1.000    peak      18        spectrum  5          !vol=9.32E+05  ppm1      6.503     ppm2      1.665     CV        1

assign      {         19        }
(        segid "   A"         and       resid     5         and       name      HE#          )
(        segid "   B"         and       resid     12        and       name      HG1          )
3.266     1.334     1.334     weight    1.000    peak      19        spectrum  5          !vol=1.02E+06  ppm1      6.503     ppm2      1.473     CV        1

assign      {         21        }
(        segid "   A"         and       resid     6         and       name      HA           )
(        segid "   B"         and       resid     8         and       name      HA           )
2.618     0.857     0.857     weight    1.000    peak      21        spectrum  5          !vol=3.85E+06  ppm1      5.360     ppm2      5.063     CV        1

assign      {         22        }
(        segid "   A"         and       resid     6         and       name      HA           )
(        segid "   B"         and       resid     8         and       name      HB2          )
3.462     1.498     1.849     weight    1.000    peak      22        spectrum  5          !vol=7.20E+05  ppm1      5.363     ppm2      1.896     CV        1

assign      {         23        }
(        segid "   A"         and       resid     6         and       name      HA           )
(        segid "   B"         and       resid     8         and       name      HB1          )
3.354     1.406     1.406     weight    1.000    peak      23        spectrum  5          !vol=8.70E+05  ppm1      5.361     ppm2      1.794     CV        1

assign      {         24        }
(        segid "   A"         and       resid     6         and       name      HA           )
(        segid "   B"         and       resid     8         and       name      HG#          )
3.145     1.236     1.236     weight    1.000    peak      24        spectrum  5          !vol=1.28E+06  ppm1      5.358     ppm2      2.010     CV        1

assign      {         25        }
(        segid "   A"         and       resid     6         and       name      HA           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
3.531     1.559     2.656     weight    1.000    peak      25        spectrum  5          !vol=6.39E+05  ppm1      5.358     ppm2      0.944     CV        1

assign      {         26        }
(        segid "   A"         and       resid     6         and       name      HD#          )
(        segid "   B"         and       resid     8         and       name      HA           )
3.188     1.270     1.270     weight    1.000    peak      26        spectrum  5          !vol=1.18E+06  ppm1      7.024     ppm2      5.061     CV        1

assign      {         27        }
(        segid "   A"         and       resid     6         and       name      HD#          )
(        segid "   B"         and       resid     8         and       name      HB2          )
3.240     1.313     1.313     weight    1.000    peak      27        spectrum  5          !vol=1.07E+06  ppm1      7.026     ppm2      1.892     CV        1

assign      {         28        }
(        segid "   A"         and       resid     6         and       name      HD#          )
(        segid "   B"         and       resid     8         and       name      HB1          )
3.197     1.278     1.278     weight    1.000    peak      28        spectrum  5          !vol=1.16E+06  ppm1      7.022     ppm2      1.800     CV        1

assign      {         29        }
(        segid "   A"         and       resid     6         and       name      HD#          )
(        segid "   B"         and       resid     8         and       name      HG#          )
2.901     1.052     1.052     weight    1.000    peak      29        spectrum  5          !vol=2.08E+06  ppm1      7.023     ppm2      2.010     CV        1

assign      {         30        }
(        segid "   A"         and       resid     6         and       name      HE#          )
(        segid "   B"         and       resid     8         and       name      HA           )
3.666     1.680     1.680     weight    1.000    peak      30        spectrum  5          !vol=5.10E+05  ppm1      6.690     ppm2      5.061     CV        1

assign      {         31        }
(        segid "   A"         and       resid     6         and       name      HE#          )
(        segid "   B"         and       resid     8         and       name      HB2          )
3.226     1.301     1.451     weight    1.000    peak      31        spectrum  5          !vol=1.10E+06  ppm1      6.686     ppm2      1.895     CV        1

assign      {         32        }
(        segid "   A"         and       resid     6         and       name      HE#          )
(        segid "   B"         and       resid     8         and       name      HB1          )
3.153     1.243     1.243     weight    1.000    peak      32        spectrum  5          !vol=1.26E+06  ppm1      6.688     ppm2      1.801     CV        1

assign      {         33        }
(        segid "   A"         and       resid     6         and       name      HE#          )
(        segid "   B"         and       resid     8         and       name      HG#          )
2.865     1.026     1.026     weight    1.000    peak      33        spectrum  5          !vol=2.24E+06  ppm1      6.690     ppm2      2.009     CV        1

assign      {         34        }
(        segid "   A"         and       resid     7         and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD#          )
3.374     1.423     1.794     weight    1.000    peak      34        spectrum  5          !vol=8.40E+05  ppm1      4.938     ppm2      0.841     CV        1

assign      {         35        }
(        segid "   A"         and       resid     7         and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.461     1.497     1.789     weight    1.000    peak      35        spectrum  5          !vol=7.21E+05  ppm1      4.936     ppm2      0.786     CV        1

assign      {         36        }
(        segid "   A"         and       resid     7         and       name      HA           )
(        segid "   B"         and       resid     19        and       name      HE#          )
2.880     1.037     1.037     weight    1.000    peak      36        spectrum  5          !vol=2.17E+06  ppm1      4.934     ppm2      2.021     CV        1

assign      {         37        }
(        segid "   A"         and       resid     7         and       name      HB2          )
(        segid "   B"         and       resid     6         and       name      HA           )
3.721     1.730     2.085     weight    1.000    peak      37        spectrum  5          !vol=4.67E+05  ppm1      1.885     ppm2      5.353     CV        1

assign      {         38        }
(        segid "   A"         and       resid     7         and       name      HB2          )
(        segid "   B"         and       resid     7         and       name      HB2          )
3.153     1.243     1.243     weight    1.000    peak      38        spectrum  5          !vol=1.26E+06  ppm1      1.884     ppm2      1.881     CV        1

assign      {         39        }
(        segid "   A"         and       resid     7         and       name      HB2          )
(        segid "   B"         and       resid     7         and       name      HB1          )
3.240     1.313     1.313     weight    1.000    peak      39        spectrum  5          !vol=1.07E+06  ppm1      1.878     ppm2      1.634     CV        1

assign      {         40        }
(        segid "   A"         and       resid     7         and       name      HB1          )
(        segid "   B"         and       resid     7         and       name      HD#          )
2.752     0.947     0.947     weight    1.000    peak      40        spectrum  5          !vol=2.85E+06  ppm1      1.634     ppm2      0.844     CV        1

assign      {         41        }
(        segid "   A"         and       resid     7         and       name      HB1          )
(        segid "   B"         and       resid     9         and       name      HG2#         )
2.806     0.984     1.869     weight    1.000    peak      41        spectrum  5          !vol=2.54E+06  ppm1      1.630     ppm2      0.989     CV        1

assign      {         42        }
(        segid "   A"         and       resid     8         and       name      HA           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.955     1.092     1.092     weight    1.000    peak      42        spectrum  5          !vol=1.86E+06  ppm1      5.064     ppm2      0.853     CV        1

assign      {         43        }
(        segid "   A"         and       resid     8         and       name      HA           )
(        segid "   B"         and       resid     6         and       name      HB2          )
3.665     1.679     1.679     weight    1.000    peak      43        spectrum  5          !vol=5.11E+05  ppm1      5.069     ppm2      2.951     CV        1

assign      {         44        }
(        segid "   A"         and       resid     8         and       name      HA           )
(        segid "   B"         and       resid     6         and       name      HB1          )
3.531     1.559     1.559     weight    1.000    peak      44        spectrum  5          !vol=6.39E+05  ppm1      5.061     ppm2      2.841     CV        1

assign      {         46        }
(        segid "   A"         and       resid     10        and       name      HA           )
(        segid "   B"         and       resid     3         and       name      HB#          )
3.765     1.772     1.772     weight    1.000    peak      46        spectrum  5          !vol=4.35E+05  ppm1      4.870     ppm2      2.611     CV        1

assign      {         47        }
(        segid "   A"         and       resid     10        and       name      HA           )
(        segid "   B"         and       resid     4         and       name      HA           )
2.326     0.676     0.676     weight    1.000    peak      47        spectrum  5          !vol=7.82E+06  ppm1      4.877     ppm2      4.633     CV        1

assign      {         48        }
(        segid "   A"         and       resid     10        and       name      HA           )
(        segid "   B"         and       resid     4         and       name      HB#          )
2.940     1.080     1.488     weight    1.000    peak      48        spectrum  5          !vol=1.92E+06  ppm1      4.875     ppm2      3.714     CV        1

assign      {         49        }
(        segid "   A"         and       resid     10        and       name      HA           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.503     0.783     0.783     weight    1.000    peak      49        spectrum  5          !vol=5.04E+06  ppm1      4.878     ppm2      0.850     CV        1

assign      {         50        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HA           )
3.745     1.753     1.753     weight    1.000    peak      50        spectrum  5          !vol=4.49E+05  ppm1      7.392     ppm2      4.931     CV        1

assign      {         51        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HB2          )
3.831     1.834     2.582     weight    1.000    peak      51        spectrum  5          !vol=3.92E+05  ppm1      7.390     ppm2      1.887     CV        1

assign      {         52        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HB1          )
3.798     1.803     1.803     weight    1.000    peak      52        spectrum  5          !vol=4.13E+05  ppm1      7.398     ppm2      1.639     CV        1

assign      {         53        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HD#          )
3.060     1.170     1.170     weight    1.000    peak      53        spectrum  5          !vol=1.51E+06  ppm1      7.394     ppm2      0.844     CV        1

assign      {         54        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.170     1.256     2.430     weight    1.000    peak      54        spectrum  5          !vol=1.22E+06  ppm1      7.392     ppm2      0.783     CV        1

assign      {         55        }
(        segid "   A"         and       resid     15        and       name      HZ           )
(        segid "   B"         and       resid     7         and       name      HG           )
3.804     1.809     2.152     weight    1.000    peak      55        spectrum  5          !vol=4.09E+05  ppm1      7.398     ppm2      1.760     CV        1

assign      {         58        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     2         and       name      HA           )
3.359     1.410     2.084     weight    1.000    peak      58        spectrum  5          !vol=8.63E+05  ppm1      6.671     ppm2      4.281     CV        1

assign      {         59        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HA           )
3.672     1.686     1.686     weight    1.000    peak      59        spectrum  5          !vol=5.05E+05  ppm1      6.678     ppm2      4.930     CV        1

assign      {         60        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HB2          )
3.494     1.526     1.801     weight    1.000    peak      60        spectrum  5          !vol=6.81E+05  ppm1      6.675     ppm2      1.879     CV        1

assign      {         61        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HB1          )
3.492     1.524     1.826     weight    1.000    peak      61        spectrum  5          !vol=6.83E+05  ppm1      6.672     ppm2      1.632     CV        1

assign      {         62        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HD#          )
2.694     0.907     0.907     weight    1.000    peak      62        spectrum  5          !vol=3.24E+06  ppm1      6.670     ppm2      0.845     CV        1

assign      {         63        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.662     0.886     0.886     weight    1.000    peak      63        spectrum  5          !vol=3.48E+06  ppm1      6.671     ppm2      0.786     CV        1

assign      {         64        }
(        segid "   A"         and       resid     15        and       name      HD#          )
(        segid "   B"         and       resid     7         and       name      HG           )
3.484     1.517     1.517     weight    1.000    peak      64        spectrum  5          !vol=6.93E+05  ppm1      6.671     ppm2      1.760     CV        1


assign      {         67        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HA           )
3.033     1.150     1.150     weight    1.000    peak      67        spectrum  5          !vol=1.59E+06  ppm1      7.261     ppm2      4.928     CV        1

assign      {         68        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HB2          )
3.033     1.150     1.283     weight    1.000    peak      68        spectrum  5          !vol=1.59E+06  ppm1      7.260     ppm2      1.883     CV        1

assign      {         69        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HB1          )
3.021     1.141     1.141     weight    1.000    peak      69        spectrum  5          !vol=1.63E+06  ppm1      7.259     ppm2      1.632     CV        1

assign      {         70        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HD#          )
2.601     0.846     0.846     weight    1.000    peak      70        spectrum  5          !vol=4.00E+06  ppm1      7.259     ppm2      0.845     CV        1

assign      {         71        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.572     0.827     0.827     weight    1.000    peak      71        spectrum  5          !vol=4.28E+06  ppm1      7.260     ppm2      0.786     CV        1

assign      {         72        }
(        segid "   A"         and       resid     15        and       name      HE#          )
(        segid "   B"         and       resid     7         and       name      HG           )
3.133     1.227     1.227     weight    1.000    peak      72        spectrum  5          !vol=1.31E+06  ppm1      7.259     ppm2      1.760     CV        1

assign      {         74        }
(        segid "   A"         and       resid     16        and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.578     1.601     1.991     weight    1.000    peak      74        spectrum  5          !vol=5.90E+05  ppm1      3.498     ppm2      0.790     CV        1

assign      {         85        }
(        segid "   A"         and       resid     19        and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD#          )
2.472     0.764     0.764     weight    1.000    peak      85        spectrum  5          !vol=5.43E+06  ppm1      4.076     ppm2      0.844     CV        1

assign      {         86        }
(        segid "   A"         and       resid     19        and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.581     0.833     0.833     weight    1.000    peak      86        spectrum  5          !vol=4.19E+06  ppm1      4.077     ppm2      0.786     CV        1

assign      {         87        }
(        segid "   A"         and       resid     19        and       name      HA           )
(        segid "   B"         and       resid     18        and       name      HD1#         )
3.540     1.566     1.920     weight    1.000    peak      87        spectrum  5          !vol=6.30E+05  ppm1      4.079     ppm2      0.733     CV        1

assign      {         99        }
(        segid "   A"         and       resid     22        and       name      HA           )
(        segid "   B"         and       resid     18        and       name      HD1#         )
2.791     0.974     0.974     weight    1.000    peak      99        spectrum  5          !vol=2.62E+06  ppm1      3.759     ppm2      0.729     CV        1

assign      {         100       }
(        segid "   A"         and       resid     22        and       name      HA           )
(        segid "   B"         and       resid     18        and       name      HG           )
3.705     1.716     1.716     weight    1.000    peak      100       spectrum  5          !vol=4.79E+05  ppm1      3.750     ppm2      1.801     CV        1

assign      {         101       }
(        segid "   A"         and       resid     22        and       name      HG1          )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.070     1.178     1.178     weight    1.000    peak      101       spectrum  5          !vol=1.48E+06  ppm1      1.422     ppm2      0.991     CV        1

assign      {         102       }
(        segid "   A"         and       resid     24        and       name      HA           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
2.971     1.104     1.618     weight    1.000    peak      102       spectrum  5          !vol=1.80E+06  ppm1      4.126     ppm2      0.829     CV        1

assign      {         103       }
(        segid "   A"         and       resid     24        and       name      HA           )
(        segid "   C"         and       resid     28        and       name      HB2          )
3.288     1.351     2.040     weight    1.000    peak      103       spectrum  5          !vol=9.81E+05  ppm1      4.137     ppm2      2.118     CV        1

assign      {         104       }
(        segid "   A"         and       resid     24        and       name      HA           )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.506     0.785     0.785     weight    1.000    peak      104       spectrum  5          !vol=5.00E+06  ppm1      4.130     ppm2      1.979     CV        1

assign      {         105       }
(        segid "   A"         and       resid     24        and       name      HA           )
(        segid "   C"         and       resid     28        and       name      HG2          )
3.137     1.230     1.444     weight    1.000    peak      105       spectrum  5          !vol=1.30E+06  ppm1      4.139     ppm2      2.697     CV        1

assign      {         106       }
(        segid "   A"         and       resid     24        and       name      HA           )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.106     1.206     1.206     weight    1.000    peak      106       spectrum  5          !vol=1.38E+06  ppm1      4.138     ppm2      2.474     CV        1

assign      {         107       }
(        segid "   A"         and       resid     24        and       name      HB2          )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.661     0.885     2.565     weight    1.000    peak      107       spectrum  5          !vol=3.49E+06  ppm1      3.906     ppm2      1.979     CV        1

assign      {         108       }
(        segid "   A"         and       resid     24        and       name      HB1          )
(        segid "   C"         and       resid     28        and       name      HE#          )
3.060     1.170     1.170     weight    1.000    peak      108       spectrum  5          !vol=1.51E+06  ppm1      3.735     ppm2      1.977     CV        1

assign      {         109       }
(        segid "   A"         and       resid     24        and       name      HB1          )
(        segid "   C"         and       resid     28        and       name      HG2          )
3.653     1.668     1.996     weight    1.000    peak      109       spectrum  5          !vol=5.21E+05  ppm1      3.730     ppm2      2.699     CV        1

assign      {         110       }
(        segid "   A"         and       resid     24        and       name      HB1          )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.631     1.648     1.648     weight    1.000    peak      110       spectrum  5          !vol=5.41E+05  ppm1      3.734     ppm2      2.476     CV        1


assign      {         112       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     28        and       name      HB2          )
3.442     1.481     2.416     weight    1.000    peak      112       spectrum  5          !vol=7.45E+05  ppm1      0.608     ppm2      2.133     CV        1

assign      {         113       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.060     0.531     1.204     weight    1.000    peak      113       spectrum  5          !vol=1.62E+07  ppm1      0.614     ppm2      1.979     CV        1

assign      {         114       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     28        and       name      HG2          )
3.158     1.246     1.246     weight    1.000    peak      114       spectrum  5          !vol=1.25E+06  ppm1      0.614     ppm2      2.696     CV        1

assign      {         115       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.009     1.132     1.132     weight    1.000    peak      115       spectrum  5          !vol=1.67E+06  ppm1      0.616     ppm2      2.473     CV        1

assign      {         116       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     31        and       name      HB           )
3.734     1.743     2.395     weight    1.000    peak      116       spectrum  5          !vol=4.57E+05  ppm1      0.609     ppm2      1.950     CV        1

assign      {         117       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     36        and       name      HA           )
3.251     1.321     1.321     weight    1.000    peak      117       spectrum  5          !vol=1.05E+06  ppm1      0.613     ppm2      3.542     CV        1

assign      {         118       }
(        segid "   A"         and       resid     27        and       name      HD1#         )
(        segid "   C"         and       resid     36        and       name      HG1#         )
2.629     0.864     0.864     weight    1.000    peak      118       spectrum  5          !vol=3.75E+06  ppm1      0.614     ppm2      0.912     CV        1


assign      {         120       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     31        and       name      HB           )
3.620     1.638     2.380     weight    1.000    peak      120       spectrum  5          !vol=5.51E+05  ppm1      0.482     ppm2      1.950     CV        1

assign      {         121       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     36        and       name      HA           )
3.037     1.153     1.153     weight    1.000    peak      121       spectrum  5          !vol=1.58E+06  ppm1      0.479     ppm2      3.540     CV        1

assign      {         122       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     36        and       name      HG1#         )
2.898     1.050     1.050     weight    1.000    peak      122       spectrum  5          !vol=2.09E+06  ppm1      0.479     ppm2      0.911     CV        1

assign      {         123       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     39        and       name      HB2          )
3.567     1.590     1.590     weight    1.000    peak      123       spectrum  5          !vol=6.02E+05  ppm1      0.478     ppm2      3.362     CV        1

assign      {         124       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     39        and       name      HB1          )
3.502     1.533     1.533     weight    1.000    peak      124       spectrum  5          !vol=6.72E+05  ppm1      0.484     ppm2      3.128     CV        1

assign      {         125       }
(        segid "   A"         and       resid     27        and       name      HG           )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.901     1.052     1.955     weight    1.000    peak      125       spectrum  5          !vol=2.08E+06  ppm1      1.101     ppm2      1.979     CV        1

assign      {         126       }
(        segid "   A"         and       resid     27        and       name      HG           )
(        segid "   C"         and       resid     28        and       name      HG2          )
3.877     1.879     2.120     weight    1.000    peak      126       spectrum  5          !vol=3.65E+05  ppm1      1.091     ppm2      2.688     CV        1

assign      {         127       }
(        segid "   A"         and       resid     27        and       name      HG           )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.873     1.875     2.130     weight    1.000    peak      127       spectrum  5          !vol=3.67E+05  ppm1      1.105     ppm2      2.471     CV        1

assign      {         128       }
(        segid "   A"         and       resid     28        and       name      HA           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.235     1.309     2.770     weight    1.000    peak      128       spectrum  5          !vol=1.08E+06  ppm1      3.934     ppm2      0.611     CV        1

assign      {         129       }
(        segid "   A"         and       resid     28        and       name      HA           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.206     1.285     2.790     weight    1.000    peak      129       spectrum  5          !vol=1.14E+06  ppm1      3.927     ppm2      0.474     CV        1

assign      {         130       }
(        segid "   A"         and       resid     28        and       name      HG2          )
(        segid "   C"         and       resid     24        and       name      HA           )
3.714     1.724     1.724     weight    1.000    peak      130       spectrum  5          !vol=4.72E+05  ppm1      2.696     ppm2      4.132     CV        1

assign      {         131       }
(        segid "   A"         and       resid     28        and       name      HG2          )
(        segid "   C"         and       resid     24        and       name      HB2          )
3.982     1.982     1.982     weight    1.000    peak      131       spectrum  5          !vol=3.11E+05  ppm1      2.700     ppm2      3.904     CV        1

assign      {         132       }
(        segid "   A"         and       resid     28        and       name      HG2          )
(        segid "   C"         and       resid     24        and       name      HB1          )
3.986     1.986     1.986     weight    1.000    peak      132       spectrum  5          !vol=3.09E+05  ppm1      2.697     ppm2      3.731     CV        1

assign      {         133       }
(        segid "   A"         and       resid     28        and       name      HG2          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.431     1.471     1.471     weight    1.000    peak      133       spectrum  5          !vol=7.60E+05  ppm1      2.701     ppm2      0.612     CV        1

assign      {         134       }
(        segid "   A"         and       resid     28        and       name      HG2          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.864     1.867     2.180     weight    1.000    peak      134       spectrum  5          !vol=3.72E+05  ppm1      2.695     ppm2      0.472     CV        1

assign      {         135       }
(        segid "   A"         and       resid     28        and       name      HG1          )
(        segid "   C"         and       resid     24        and       name      HA           )
3.921     1.922     1.922     weight    1.000    peak      135       spectrum  5          !vol=3.41E+05  ppm1      2.473     ppm2      4.125     CV        1

assign      {         136       }
(        segid "   A"         and       resid     28        and       name      HG1          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.141     1.233     1.233     weight    1.000    peak      136       spectrum  5          !vol=1.29E+06  ppm1      2.477     ppm2      0.612     CV        1

assign      {         137       }
(        segid "   A"         and       resid     28        and       name      HG1          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.573     1.596     1.596     weight    1.000    peak      137       spectrum  5          !vol=5.95E+05  ppm1      2.470     ppm2      0.475     CV        1


assign      {         139       }
(        segid "   A"         and       resid     31        and       name      HB           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
2.937     1.078     3.060     weight    1.000    peak      139       spectrum  5          !vol=1.93E+06  ppm1      1.940     ppm2      0.927     CV        1

assign      {         140       }
(        segid "   A"         and       resid     35        and       name      HB1          )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.145     1.236     1.236     weight    1.000    peak      140       spectrum  5          !vol=1.28E+06  ppm1      1.512     ppm2      0.927     CV        1

assign      {         141       }
(        segid "   A"         and       resid     36        and       name      HA           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.046     1.160     1.160     weight    1.000    peak      141       spectrum  5          !vol=1.55E+06  ppm1      3.543     ppm2      0.612     CV        1

assign      {         142       }
(        segid "   A"         and       resid     36        and       name      HA           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.697     0.909     0.909     weight    1.000    peak      142       spectrum  5          !vol=3.22E+06  ppm1      3.543     ppm2      0.474     CV        1

assign      {         143       }
(        segid "   A"         and       resid     36        and       name      HA           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.481     1.515     1.515     weight    1.000    peak      143       spectrum  5          !vol=6.96E+05  ppm1      3.541     ppm2      0.928     CV        1

assign      {         144       }
(        segid "   A"         and       resid     36        and       name      HG1#         )
(        segid "   C"         and       resid     27        and       name      HD1#         )
2.389     0.714     0.714     weight    1.000    peak      144       spectrum  5          !vol=6.66E+06  ppm1      0.910     ppm2      0.612     CV        1

assign      {         145       }
(        segid "   A"         and       resid     36        and       name      HG1#         )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.271     0.645     1.605     weight    1.000    peak      145       spectrum  5          !vol=9.03E+06  ppm1      0.914     ppm2      0.474     CV        1

assign      {         148       }
(        segid "   A"         and       resid     39        and       name      HA           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.060     1.170     1.301     weight    1.000    peak      148       spectrum  5          !vol=1.51E+06  ppm1      4.223     ppm2      0.473     CV        1

assign      {         149       }
(        segid "   A"         and       resid     39        and       name      HB2          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.333     1.388     1.388     weight    1.000    peak      149       spectrum  5          !vol=9.04E+05  ppm1      3.372     ppm2      0.473     CV        1

assign      {         150       }
(        segid "   A"         and       resid     39        and       name      HB2          )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.772     1.779     1.779     weight    1.000    peak      150       spectrum  5          !vol=4.30E+05  ppm1      3.367     ppm2      0.931     CV        1

assign      {         151       }
(        segid "   A"         and       resid     39        and       name      HB1          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.938     1.939     1.939     weight    1.000    peak      151       spectrum  5          !vol=3.32E+05  ppm1      3.128     ppm2      0.611     CV        1

assign      {         152       }
(        segid "   A"         and       resid     39        and       name      HB1          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.170     1.256     1.256     weight    1.000    peak      152       spectrum  5          !vol=1.22E+06  ppm1      3.135     ppm2      0.474     CV        1

assign      {         153       }
(        segid "   A"         and       resid     39        and       name      HB1          )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.558     1.582     1.582     weight    1.000    peak      153       spectrum  5          !vol=6.11E+05  ppm1      3.131     ppm2      0.929     CV        1

assign      {         154       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     23        and       name      HB2          )
3.775     1.781     1.781     weight    1.000    peak      154       spectrum  5          !vol=4.28E+05  ppm1      7.058     ppm2      2.283     CV        1

assign      {         155       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     23        and       name      HB1          )
3.946     1.947     1.947     weight    1.000    peak      155       spectrum  5          !vol=3.28E+05  ppm1      7.056     ppm2      2.107     CV        1

assign      {         156       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     23        and       name      HG2          )
3.584     1.605     1.605     weight    1.000    peak      156       spectrum  5          !vol=5.85E+05  ppm1      7.056     ppm2      2.468     CV        1

assign      {         157       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     23        and       name      HG1          )
3.731     1.740     1.861     weight    1.000    peak      157       spectrum  5          !vol=4.59E+05  ppm1      7.053     ppm2      2.197     CV        1

assign      {         158       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.018     1.138     1.138     weight    1.000    peak      158       spectrum  5          !vol=1.64E+06  ppm1      7.054     ppm2      0.611     CV        1

assign      {         159       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.609     0.851     0.851     weight    1.000    peak      159       spectrum  5          !vol=3.93E+06  ppm1      7.055     ppm2      0.475     CV        1

assign      {         160       }
(        segid "   A"         and       resid     39        and       name      HD#          )
(        segid "   C"         and       resid     30        and       name      HD1#         )
2.932     1.075     1.075     weight    1.000    peak      160       spectrum  5          !vol=1.95E+06  ppm1      7.056     ppm2      0.928     CV        1

assign      {         161       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HB2          )
2.961     1.096     1.096     weight    1.000    peak      161       spectrum  5          !vol=1.84E+06  ppm1      6.803     ppm2      2.266     CV        1

assign      {         162       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HB1          )
3.067     1.175     1.175     weight    1.000    peak      162       spectrum  5          !vol=1.49E+06  ppm1      6.803     ppm2      2.120     CV        1

assign      {         163       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HG2          )
2.985     1.114     1.114     weight    1.000    peak      163       spectrum  5          !vol=1.75E+06  ppm1      6.803     ppm2      2.464     CV        1

assign      {         164       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HG1          )
3.088     1.192     1.192     weight    1.000    peak      164       spectrum  5          !vol=1.43E+06  ppm1      6.803     ppm2      2.198     CV        1

assign      {         165       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     26        and       name      HA           )
3.361     1.412     2.513     weight    1.000    peak      165       spectrum  5          !vol=8.59E+05  ppm1      6.806     ppm2      4.082     CV        1

assign      {         166       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     26        and       name      HG2#         )
3.762     1.769     1.769     weight    1.000    peak      166       spectrum  5          !vol=4.37E+05  ppm1      6.801     ppm2      2.860     CV        1

assign      {         167       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     26        and       name      HG1          )
3.663     1.677     1.677     weight    1.000    peak      167       spectrum  5          !vol=5.13E+05  ppm1      6.798     ppm2      2.314     CV        1

assign      {         168       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.030     1.148     1.148     weight    1.000    peak      168       spectrum  5          !vol=1.60E+06  ppm1      6.804     ppm2      0.612     CV        1

assign      {         169       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.898     1.050     1.050     weight    1.000    peak      169       spectrum  5          !vol=2.09E+06  ppm1      6.803     ppm2      0.475     CV        1

assign      {         170       }
(        segid "   A"         and       resid     39        and       name      HE#          )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.355     1.407     2.643     weight    1.000    peak      170       spectrum  5          !vol=8.69E+05  ppm1      6.800     ppm2      0.931     CV        1

assign      {         200       }
(        segid "   A"         and       resid     5         and       name      HN           )
(        segid "   B"         and       resid     8         and       name      HG#          )
3.082     1.188     1.188     weight    1.000    peak      200       spectrum  5          !vol=4.83E+07  ppm1      8.879     ppm2      2.006     CV        1

assign      {         201       }
(        segid "   A"         and       resid     5         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HB           )
3.129     1.224     1.224     weight    1.000    peak      201       spectrum  5          !vol=4.41E+07  ppm1      8.881     ppm2      1.865     CV        1

assign      {         202       }
(        segid "   A"         and       resid     5         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
2.762     0.954     1.312     weight    1.000    peak      202       spectrum  5          !vol=9.33E+07  ppm1      8.887     ppm2      0.939     CV        1

assign      {         203       }
(        segid "   A"         and       resid     5         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.018     1.139     1.685     weight    1.000    peak      203       spectrum  5          !vol=5.48E+07  ppm1      8.896     ppm2      0.980     CV        1

assign      {         204       }
(        segid "   A"         and       resid     6         and       name      HN           )
(        segid "   B"         and       resid     8         and       name      HG#          )
3.471     1.506     1.506     weight    1.000    peak      204       spectrum  5          !vol=2.37E+07  ppm1      8.463     ppm2      2.003     CV        1

assign      {         205       }
(        segid "   A"         and       resid     6         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
2.932     1.074     3.570     weight    1.000    peak      205       spectrum  5          !vol=6.52E+07  ppm1      8.457     ppm2      0.939     CV        1

assign      {         206       }
(        segid "   A"         and       resid     6         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.371     1.421     3.084     weight    1.000    peak      206       spectrum  5          !vol=2.82E+07  ppm1      8.468     ppm2      0.983     CV        1

assign      {         207       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     6         and       name      HB2          )
3.644     1.659     1.659     weight    1.000    peak      207       spectrum  5          !vol=1.77E+07  ppm1      9.224     ppm2      2.959     CV        1

assign      {         208       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HB2          )
3.100     1.201     1.201     weight    1.000    peak      208       spectrum  5          !vol=4.67E+07  ppm1      9.231     ppm2      1.875     CV        1

assign      {         209       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HB1          )
3.313     1.372     1.372     weight    1.000    peak      209       spectrum  5          !vol=3.13E+07  ppm1      9.222     ppm2      1.623     CV        1

assign      {         210       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.064     1.174     2.810     weight    1.000    peak      210       spectrum  5          !vol=5.00E+07  ppm1      9.223     ppm2      0.840     CV        1

assign      {         211       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.044     1.158     1.736     weight    1.000    peak      211       spectrum  5          !vol=5.21E+07  ppm1      9.221     ppm2      0.779     CV        1

assign      {         212       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     8         and       name      HB2          )
3.426     1.467     2.756     weight    1.000    peak      212       spectrum  5          !vol=2.56E+07  ppm1      9.228     ppm2      1.895     CV        1

assign      {         213       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     8         and       name      HB1          )
3.388     1.435     1.970     weight    1.000    peak      213       spectrum  5          !vol=2.74E+07  ppm1      9.231     ppm2      1.813     CV        1

assign      {         214       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     8         and       name      HG#          )
3.121     1.218     2.015     weight    1.000    peak      214       spectrum  5          !vol=4.48E+07  ppm1      9.222     ppm2      2.012     CV        1

assign      {         215       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
3.390     1.436     2.904     weight    1.000    peak      215       spectrum  5          !vol=2.73E+07  ppm1      9.211     ppm2      0.946     CV        1

assign      {         216       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.165     1.252     2.626     weight    1.000    peak      216       spectrum  5          !vol=4.12E+07  ppm1      9.228     ppm2      0.983     CV        1

assign      {         217       }
(        segid "   A"         and       resid     8         and       name      HN           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.927     1.071     1.885     weight    1.000    peak      217       spectrum  5          !vol=6.58E+07  ppm1      8.651     ppm2      0.852     CV        1

assign      {         218       }
(        segid "   A"         and       resid     8         and       name      HN           )
(        segid "   B"         and       resid     19        and       name      HE#          )
2.708     0.917     1.454     weight    1.000    peak      218       spectrum  5          !vol=1.05E+08  ppm1      8.650     ppm2      2.019     CV        1

assign      {         219       }
(        segid "   A"         and       resid     8         and       name      HN           )
(        segid "   B"         and       resid     19        and       name      HG#          )
3.475     1.510     1.774     weight    1.000    peak      219       spectrum  5          !vol=2.35E+07  ppm1      8.652     ppm2      1.903     CV        1

assign      {         220       }
(        segid "   A"         and       resid     8         and       name      HN           )
(        segid "   B"         and       resid     22        and       name      HE1          )
3.317     1.375     1.375     weight    1.000    peak      220       spectrum  5          !vol=3.11E+07  ppm1      8.649     ppm2      3.094     CV        1

assign      {         221       }
(        segid "   A"         and       resid     9         and       name      HN           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.469     0.762     0.762     weight    1.000    peak      221       spectrum  5          !vol=1.83E+08  ppm1      9.141     ppm2      0.851     CV        1

assign      {         222       }
(        segid "   A"         and       resid     10        and       name      HN           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.940     1.081     1.081     weight    1.000    peak      222       spectrum  5          !vol=6.41E+07  ppm1      9.295     ppm2      0.851     CV        1

assign      {         223       }
(        segid "   A"         and       resid     11        and       name      HN           )
(        segid "   B"         and       resid     3         and       name      HB#          )
3.064     1.174     1.336     weight    1.000    peak      223       spectrum  5          !vol=5.00E+07  ppm1      8.792     ppm2      2.622     CV        1

assign      {         224       }
(        segid "   A"         and       resid     11        and       name      HN           )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.876     1.034     1.484     weight    1.000    peak      224       spectrum  5          !vol=7.32E+07  ppm1      8.790     ppm2      0.852     CV        1

assign      {         225       }
(        segid "   A"         and       resid     14        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
3.047     1.161     1.443     weight    1.000    peak      225       spectrum  5          !vol=5.17E+07  ppm1      7.831     ppm2      0.645     CV        1

assign      {         226       }
(        segid "   A"         and       resid     14        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
2.761     0.953     1.473     weight    1.000    peak      226       spectrum  5          !vol=9.35E+07  ppm1      7.841     ppm2      0.825     CV        1

assign      {         227       }
(        segid "   A"         and       resid     15        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.329     1.386     3.170     weight    1.000    peak      227       spectrum  5          !vol=3.04E+07  ppm1      8.043     ppm2      0.842     CV        1

assign      {         228       }
(        segid "   A"         and       resid     15        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.431     1.471     1.889     weight    1.000    peak      228       spectrum  5          !vol=2.54E+07  ppm1      8.086     ppm2      0.776     CV        1

assign      {         229       }
(        segid "   A"         and       resid     15        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
3.281     1.346     1.346     weight    1.000    peak      229       spectrum  5          !vol=3.32E+07  ppm1      8.044     ppm2      0.644     CV        1

assign      {         230       }
(        segid "   A"         and       resid     16        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.227     1.301     2.782     weight    1.000    peak      230       spectrum  5          !vol=3.67E+07  ppm1      8.439     ppm2      0.841     CV        1

assign      {         231       }
(        segid "   A"         and       resid     16        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.238     1.311     2.487     weight    1.000    peak      231       spectrum  5          !vol=3.59E+07  ppm1      8.437     ppm2      0.770     CV        1

assign      {         235       }
(        segid "   A"         and       resid     17        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
3.183     1.267     1.267     weight    1.000    peak      235       spectrum  5          !vol=3.98E+07  ppm1      7.645     ppm2      0.646     CV        1

assign      {         236       }
(        segid "   A"         and       resid     17        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
3.012     1.134     1.956     weight    1.000    peak      236       spectrum  5          !vol=5.55E+07  ppm1      7.646     ppm2      0.824     CV        1

assign      {         237       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
2.656     0.882     2.491     weight    1.000    peak      237       spectrum  5          !vol=1.18E+08  ppm1      7.929     ppm2      0.840     CV        1

assign      {         238       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.667     0.889     1.220     weight    1.000    peak      238       spectrum  5          !vol=1.15E+08  ppm1      7.928     ppm2      0.780     CV        1

assign      {         239       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     17        and       name      HD#          )
3.266     1.334     2.224     weight    1.000    peak      239       spectrum  5          !vol=3.41E+07  ppm1      7.921     ppm2      0.865     CV        1

assign      {         240       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     17        and       name      HG2#         )
3.252     1.322     2.010     weight    1.000    peak      240       spectrum  5          !vol=3.50E+07  ppm1      7.925     ppm2      0.843     CV        1


assign      {         242       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD2#         )
2.855     1.019     2.661     weight    1.000    peak      242       spectrum  5          !vol=7.65E+07  ppm1      7.930     ppm2      0.706     CV        1

assign      {         243       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     21        and       name      HD2#         )
3.409     1.452     1.822     weight    1.000    peak      243       spectrum  5          !vol=2.64E+07  ppm1      7.922     ppm2      0.735     CV        1

assign      {         244       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
2.917     1.064     1.064     weight    1.000    peak      244       spectrum  5          !vol=6.72E+07  ppm1      7.921     ppm2      0.643     CV        1

assign      {         245       }
(        segid "   A"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
3.306     1.366     2.032     weight    1.000    peak      245       spectrum  5          !vol=3.17E+07  ppm1      7.939     ppm2      0.823     CV        1

assign      {         246       }
(        segid "   A"         and       resid     19        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
2.497     0.779     0.980     weight    1.000    peak      246       spectrum  5          !vol=1.71E+08  ppm1      8.666     ppm2      0.839     CV        1

assign      {         247       }
(        segid "   A"         and       resid     19        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.575     0.829     0.829     weight    1.000    peak      247       spectrum  5          !vol=1.42E+08  ppm1      8.667     ppm2      0.779     CV        1

assign      {         248       }
(        segid "   A"         and       resid     19        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD2#         )
3.251     1.321     1.535     weight    1.000    peak      248       spectrum  5          !vol=3.51E+07  ppm1      8.669     ppm2      0.711     CV        1

assign      {         249       }
(        segid "   A"         and       resid     20        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.094     1.197     1.879     weight    1.000    peak      249       spectrum  5          !vol=4.72E+07  ppm1      7.347     ppm2      0.838     CV        1

assign      {         251       }
(        segid "   A"         and       resid     21        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.069     1.177     2.607     weight    1.000    peak      251       spectrum  5          !vol=4.96E+07  ppm1      7.652     ppm2      0.837     CV        1

assign      {         252       }
(        segid "   A"         and       resid     21        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.979     1.109     2.317     weight    1.000    peak      252       spectrum  5          !vol=5.93E+07  ppm1      7.654     ppm2      0.779     CV        1

assign      {         253       }
(        segid "   A"         and       resid     21        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD2#         )
2.791     0.973     1.860     weight    1.000    peak      253       spectrum  5          !vol=8.77E+07  ppm1      7.657     ppm2      0.705     CV        1

assign      {         256       }
(        segid "   A"         and       resid     22        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
2.737     0.936     1.925     weight    1.000    peak      256       spectrum  5          !vol=9.85E+07  ppm1      8.922     ppm2      0.840     CV        1

assign      {         257       }
(        segid "   A"         and       resid     22        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
2.872     1.031     1.524     weight    1.000    peak      257       spectrum  5          !vol=7.38E+07  ppm1      8.922     ppm2      0.778     CV        1

assign      {         258       }
(        segid "   A"         and       resid     22        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD1#         )
2.960     1.095     1.095     weight    1.000    peak      258       spectrum  5          !vol=6.16E+07  ppm1      8.925     ppm2      0.726     CV        1

assign      {         259       }
(        segid "   A"         and       resid     22        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD2#         )
2.721     0.926     0.926     weight    1.000    peak      259       spectrum  5          !vol=1.02E+08  ppm1      8.924     ppm2      0.705     CV        1


assign      {         261       }
(        segid "   A"         and       resid     24        and       name      HN           )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.581     0.833     2.779     weight    1.000    peak      261       spectrum  5          !vol=1.40E+08  ppm1      7.853     ppm2      1.979     CV        1

assign      {         262       }
(        segid "   A"         and       resid     24        and       name      HN           )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.278     1.343     2.841     weight    1.000    peak      262       spectrum  5          !vol=3.34E+07  ppm1      7.844     ppm2      2.479     CV        1

assign      {         263       }
(        segid "   A"         and       resid     25        and       name      HN           )
(        segid "   C"         and       resid     21        and       name      HD2#         )
3.039     1.154     3.264     weight    1.000    peak      263       spectrum  5          !vol=5.26E+07  ppm1      8.330     ppm2      0.734     CV        1

assign      {         264       }
(        segid "   A"         and       resid     25        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
3.175     1.260     2.634     weight    1.000    peak      264       spectrum  5          !vol=4.04E+07  ppm1      8.337     ppm2      0.826     CV        1

assign      {         266       }
(        segid "   A"         and       resid     27        and       name      HN           )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.751     0.946     1.397     weight    1.000    peak      266       spectrum  5          !vol=9.56E+07  ppm1      8.550     ppm2      1.978     CV        1

assign      {         267       }
(        segid "   A"         and       resid     27        and       name      HN           )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.471     1.506     2.082     weight    1.000    peak      267       spectrum  5          !vol=2.37E+07  ppm1      8.547     ppm2      2.477     CV        1

assign      {         268       }
(        segid "   A"         and       resid     27        and       name      HN           )
(        segid "   C"         and       resid     31        and       name      HG1#         )
3.373     1.422     3.040     weight    1.000    peak      268       spectrum  5          !vol=2.81E+07  ppm1      8.537     ppm2      0.970     CV        1

assign      {         269       }
(        segid "   A"         and       resid     27        and       name      HN           )
(        segid "   C"         and       resid     36        and       name      HG2#          )
3.426     1.467     2.570     weight    1.000    peak      269       spectrum  5          !vol=2.56E+07  ppm1      8.555     ppm2      0.902     CV        1

assign      {         271       }
(        segid "   A"         and       resid     28        and       name      HN           )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.695     0.908     2.512     weight    1.000    peak      271       spectrum  5          !vol=1.08E+08  ppm1      7.599     ppm2      1.978     CV        1


assign      {         279       }
(        segid "   A"         and       resid     30        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD2#         )
3.394     1.440     3.110     weight    1.000    peak      279       spectrum  5          !vol=2.71E+07  ppm1      7.916     ppm2      0.873     CV        1

assign      {         280       }
(        segid "   A"         and       resid     30        and       name      HN           )
(        segid "   C"         and       resid     31        and       name      HG1#         )
3.107     1.207     2.508     weight    1.000    peak      280       spectrum  5          !vol=4.60E+07  ppm1      7.933     ppm2      0.967     CV        1

assign      {         281       }
(        segid "   A"         and       resid     30        and       name      HN           )
(        segid "   C"         and       resid     35        and       name      HD1#         )
3.035     1.151     3.224     weight    1.000    peak      281       spectrum  5          !vol=5.30E+07  ppm1      7.930     ppm2      1.030     CV        1

assign      {         282       }
(        segid "   A"         and       resid     30        and       name      HN           )
(        segid "   C"         and       resid     35        and       name      HD2#         )
3.189     1.271     2.050     weight    1.000    peak      282       spectrum  5          !vol=3.94E+07  ppm1      7.926     ppm2      0.933     CV        1

assign      {         284       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.415     1.458     2.580     weight    1.000    peak      284       spectrum  5          !vol=2.61E+07  ppm1      7.229     ppm2      0.608     CV        1

assign      {         285       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.136     1.230     3.110     weight    1.000    peak      285       spectrum  5          !vol=4.35E+07  ppm1      7.232     ppm2      0.471     CV        1

assign      {         287       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD2#         )
3.415     1.458     2.580     weight    1.000    peak      287       spectrum  5          !vol=2.61E+07  ppm1      7.233     ppm2      0.870     CV        1

assign      {         288       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     31        and       name      HB           )
3.413     1.456     2.878     weight    1.000    peak      288       spectrum  5          !vol=2.62E+07  ppm1      7.234     ppm2      1.944     CV        1

assign      {         289       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     35        and       name      HD2#         )
3.326     1.383     2.379     weight    1.000    peak      289       spectrum  5          !vol=3.06E+07  ppm1      7.224     ppm2      0.932     CV        1

assign      {         291       }
(        segid "   A"         and       resid     35        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.331     1.387     2.719     weight    1.000    peak      291       spectrum  5          !vol=3.03E+07  ppm1      7.333     ppm2      0.466     CV        1

assign      {         292       }
(        segid "   A"         and       resid     35        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.116     1.214     1.730     weight    1.000    peak      292       spectrum  5          !vol=4.52E+07  ppm1      7.336     ppm2      0.925     CV        1

assign      {         293       }
(        segid "   A"         and       resid     35        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD2#         )
3.463     1.499     2.666     weight    1.000    peak      293       spectrum  5          !vol=2.40E+07  ppm1      7.326     ppm2      0.872     CV        1

assign      {         295       }
(        segid "   A"         and       resid     36        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.322     1.380     2.620     weight    1.000    peak      295       spectrum  5          !vol=3.08E+07  ppm1      7.523     ppm2      0.609     CV        1

assign      {         296       }
(        segid "   A"         and       resid     36        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.070     1.178     1.322     weight    1.000    peak      296       spectrum  5          !vol=4.95E+07  ppm1      7.519     ppm2      0.471     CV        1

assign      {         297       }
(        segid "   A"         and       resid     36        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.312     1.371     1.371     weight    1.000    peak      297       spectrum  5          !vol=3.14E+07  ppm1      7.515     ppm2      0.923     CV        1

assign      {         299       }
(        segid "   A"         and       resid     37        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.428     1.469     1.709     weight    1.000    peak      299       spectrum  5          !vol=2.55E+07  ppm1      8.668     ppm2      0.470     CV        1

assign      {         300       }
(        segid "   A"         and       resid     38        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.360     1.411     2.182     weight    1.000    peak      300       spectrum  5          !vol=2.88E+07  ppm1      7.874     ppm2      0.469     CV        1

assign      {         301       }
(        segid "   A"         and       resid     38        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.333     1.389     2.292     weight    1.000    peak      301       spectrum  5          !vol=3.02E+07  ppm1      7.903     ppm2      0.922     CV        1

assign      {         302       }
(        segid "   A"         and       resid     39        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.248     1.318     2.606     weight    1.000    peak      302       spectrum  5          !vol=3.53E+07  ppm1      8.014     ppm2      0.608     CV        1

assign      {         303       }
(        segid "   A"         and       resid     39        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.700     0.911     1.176     weight    1.000    peak      303       spectrum  5          !vol=1.07E+08  ppm1      8.015     ppm2      0.470     CV        1

assign      {         304       }
(        segid "   A"         and       resid     39        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.083     1.188     1.984     weight    1.000    peak      304       spectrum  5          !vol=4.82E+07  ppm1      8.016     ppm2      0.922     CV        1

assign      {         305       }
(        segid "   A"         and       resid     40        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD1#         )
3.620     1.638     1.638     weight    1.000    peak      305       spectrum  5          !vol=1.84E+07  ppm1      8.748     ppm2      0.617     CV        1

assign      {         306       }
(        segid "   A"         and       resid     40        and       name      HN           )
(        segid "   C"         and       resid     27        and       name      HD2#         )
3.178     1.262     1.262     weight    1.000    peak      306       spectrum  5          !vol=4.02E+07  ppm1      8.751     ppm2      0.471     CV        1

assign      {         307       }
(        segid "   A"         and       resid     40        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD1#         )
3.498     1.530     1.530     weight    1.000    peak      307       spectrum  5          !vol=2.26E+07  ppm1      8.748     ppm2      0.920     CV        1

assign      {         310       }
(        segid "   A"         and       resid     14        and       name      HD22         )
(        segid "   B"         and       resid     25        and       name      HD1#         )
3.278     1.343     1.343     weight    1.000    peak      310       spectrum  5          !vol=3.34E+07  ppm1      6.755     ppm2      0.648     CV        1

assign      {         311       }
(        segid "   A"         and       resid     14        and       name      HD22         )
(        segid "   B"         and       resid     26        and       name      HA           )
3.373     1.422     1.585     weight    1.000    peak      311       spectrum  5          !vol=2.81E+07  ppm1      6.764     ppm2      4.091     CV        1

assign      {         312       }
(        segid "   A"         and       resid     43        and       name      HE21         )
(        segid "   C"         and       resid     19        and       name      HE#          )
3.331     1.387     1.387     weight    1.000    peak      312       spectrum  5          !vol=3.03E+07  ppm1      6.726     ppm2      2.018     CV        1

assign      {         313       }
(        segid "   A"         and       resid     43        and       name      HE22         )
(        segid "   C"         and       resid     19        and       name      HE#          )
3.189     1.271     1.271     weight    1.000    peak      313       spectrum  5          !vol=3.94E+07  ppm1      7.056     ppm2      2.020     CV        1

assign      {         314       }
(        segid "   A"         and       resid     44        and       name      HE22         )
(        segid "   C"         and       resid     19        and       name      HE#          )
3.245     1.316     1.316     weight    1.000    peak      314       spectrum  5          !vol=3.55E+07  ppm1      6.815     ppm2      2.017     CV        1

assign      {         315       }
(        segid "   A"         and       resid     47        and       name      HE22         )
(        segid "   C"         and       resid     22        and       name      HG2          )
3.344     1.398     2.788     weight    1.000    peak      315       spectrum  5          !vol=2.96E+07  ppm1      6.903     ppm2      1.591     CV        1

assign      {         400       }
(        segid "   A"         and       resid     4         and       name      HB#          )
(        segid "   B"         and       resid     8         and       name      HG#          )
3.046     1.160     1.160     weight    1.000    peak      400       spectrum  5          !vol=1.55E+06  ppm1      3.721     ppm2      2.008     CV        1

assign      {         401       }
(        segid "   A"         and       resid     7         and       name      HB2          )
(        segid "   B"         and       resid     9         and       name      HG2#         )
2.740     0.938     3.210     weight    1.000    peak      401       spectrum  5          !vol=2.93E+06  ppm1      1.886     ppm2      0.989     CV        1

assign      {         402       }
(        segid "   A"         and       resid     7         and       name      HD1#         )
(        segid "   B"         and       resid     19        and       name      HB2          )
3.043     1.158     1.158     weight    1.000    peak      402       spectrum  5          !vol=1.56E+06  ppm1      0.841     ppm2      1.692     CV        1

assign      {         403       }
(        segid "   A"         and       resid     7         and       name      HD1#         )
(        segid "   B"         and       resid     19        and       name      HE#          )
2.212     0.611     0.611     weight    1.000    peak      403       spectrum  5          !vol=1.06E+07  ppm1      0.835     ppm2      2.021     CV        1

assign      {         404       }
(        segid "   A"         and       resid     14        and       name      HA           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
2.852     1.016     1.016     weight    1.000    peak      404       spectrum  5          !vol=2.30E+06  ppm1      4.417     ppm2      0.650     CV        1

assign      {         405       }
(        segid "   A"         and       resid     14        and       name      HA           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
3.165     1.252     1.252     weight    1.000    peak      405       spectrum  5          !vol=1.23E+06  ppm1      4.418     ppm2      0.830     CV        1

assign      {         406       }
(        segid "   A"         and       resid     15        and       name      HA           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.078     1.184     1.184     weight    1.000    peak      406       spectrum  5          !vol=1.46E+06  ppm1      3.912     ppm2      0.845     CV        1

assign      {         419       }
(        segid "   A"         and       resid     22        and       name      HA           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
3.351     1.404     1.404     weight    1.000    peak      419       spectrum  5          !vol=8.75E+05  ppm1      3.746     ppm2      0.941     CV        1

assign      {         420       }
(        segid "   A"         and       resid     22        and       name      HA           )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.065     1.174     1.174     weight    1.000    peak      420       spectrum  5          !vol=1.49E+06  ppm1      3.756     ppm2      0.989     CV        1

assign      {         421       }
(        segid "   A"         and       resid     22        and       name      HE1          )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.048     1.161     1.161     weight    1.000    peak      421       spectrum  5          !vol=1.54E+06  ppm1      3.106     ppm2      0.845     CV        1

assign      {         422       }
(        segid "   A"         and       resid     22        and       name      HE1          )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.271     1.338     2.710     weight    1.000    peak      422       spectrum  5          !vol=1.01E+06  ppm1      3.103     ppm2      0.786     CV        1

assign      {         423       }
(        segid "   A"         and       resid     23        and       name      HG2          )
(        segid "   C"         and       resid     28        and       name      HE#          )
2.683     0.900     2.279     weight    1.000    peak      423       spectrum  5          !vol=3.32E+06  ppm1      2.467     ppm2      1.978     CV        1

assign      {         424       }
(        segid "   A"         and       resid     25        and       name      HD1#         )
(        segid "   B"         and       resid     14        and       name      HA           )
3.140     1.232     1.232     weight    1.000    peak      424       spectrum  5          !vol=1.29E+06  ppm1      0.656     ppm2      4.414     CV        1

assign      {         425       }
(        segid "   A"         and       resid     25        and       name      HD2#         )
(        segid "   C"         and       resid     21        and       name      HB1          )
3.036     1.152     1.385     weight    1.000    peak      425       spectrum  5          !vol=1.58E+06  ppm1      0.821     ppm2      1.134     CV        1

assign      {         426       }
(        segid "   A"         and       resid     25        and       name      HD2#         )
(        segid "   C"         and       resid     24        and       name      HA           )
3.439     1.478     1.478     weight    1.000    peak      426       spectrum  5          !vol=7.49E+05  ppm1      0.833     ppm2      4.133     CV        1

assign      {         427       }
(        segid "   A"         and       resid     25        and       name      HD2#         )
(        segid "   C"         and       resid     24        and       name      HB2          )
3.190     1.272     1.272     weight    1.000    peak      427       spectrum  5          !vol=1.18E+06  ppm1      0.836     ppm2      3.886     CV        1

assign      {         428       }
(        segid "   A"         and       resid     25        and       name      HD2#         )
(        segid "   C"         and       resid     24        and       name      HB1          )
3.239     1.312     1.312     weight    1.000    peak      428       spectrum  5          !vol=1.07E+06  ppm1      0.834     ppm2      3.732     CV        1

assign      {         429       }
(        segid "   A"         and       resid     26        and       name      HA           )
(        segid "   B"         and       resid     9         and       name      HG1#         )
3.654     1.669     2.350     weight    1.000    peak      429       spectrum  5          !vol=5.21E+05  ppm1      4.083     ppm2      0.946     CV        1

assign      {         430       }
(        segid "   A"         and       resid     26        and       name      HA           )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.266     1.333     3.023     weight    1.000    peak      430       spectrum  5          !vol=1.02E+06  ppm1      4.082     ppm2      0.989     CV        1

assign      {         431       }
(        segid "   A"         and       resid     26        and       name      HG2          )
(        segid "   B"         and       resid     9         and       name      HG2#         )
3.443     1.481     1.683     weight    1.000    peak      431       spectrum  5          !vol=7.44E+05  ppm1      2.872     ppm2      0.986     CV        1

assign      {         432       }
(        segid "   A"         and       resid     27        and       name      HD2#         )
(        segid "   C"         and       resid     39        and       name      HA           )
3.499     1.530     1.530     weight    1.000    peak      432       spectrum  5          !vol=6.75E+05  ppm1      0.478     ppm2      4.217     CV        1

assign      {         433       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HG2          )
3.387     1.434     1.434     weight    1.000    peak      433       spectrum  5          !vol=8.21E+05  ppm1      1.980     ppm2      2.457     CV        1

assign      {         434       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     23        and       name      HG1          )
3.299     1.361     1.361     weight    1.000    peak      434       spectrum  5          !vol=9.60E+05  ppm1      1.978     ppm2      2.198     CV        1

assign      {         435       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     24        and       name      HA           )
3.474     1.508     1.508     weight    1.000    peak      435       spectrum  5          !vol=7.05E+05  ppm1      1.981     ppm2      4.137     CV        1

assign      {         436       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     24        and       name      HB1          )
3.736     1.744     1.744     weight    1.000    peak      436       spectrum  5          !vol=4.56E+05  ppm1      1.979     ppm2      3.724     CV        1

assign      {         437       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     27        and       name      HD1#         )
2.423     0.734     0.734     weight    1.000    peak      437       spectrum  5          !vol=6.12E+06  ppm1      1.978     ppm2      0.612     CV        1

assign      {         438       }
(        segid "   A"         and       resid     28        and       name      HE#          )
(        segid "   C"         and       resid     27        and       name      HD2#         )
2.828     1.000     1.485     weight    1.000    peak      438       spectrum  5          !vol=2.42E+06  ppm1      1.970     ppm2      0.473     CV        1

assign      {         439       }
(        segid "   A"         and       resid     30        and       name      HD2#         )
(        segid "   C"         and       resid     28        and       name      HG2          )
3.635     1.652     2.506     weight    1.000    peak      439       spectrum  5          !vol=5.37E+05  ppm1      0.873     ppm2      2.697     CV        1

assign      {         440       }
(        segid "   A"         and       resid     30        and       name      HD2#         )
(        segid "   C"         and       resid     28        and       name      HG1          )
3.627     1.644     2.370     weight    1.000    peak      440       spectrum  5          !vol=5.45E+05  ppm1      0.877     ppm2      2.474     CV        1

assign      {         502       }
(        segid "   A"         and       resid     7         and       name      HN           )
(        segid "   B"         and       resid     19        and       name      HE#          )
3.268     1.335     3.230     weight    1.000    peak      502       spectrum  5          !vol=3.40E+07  ppm1      9.225     ppm2      2.018     CV        1

assign      {         503       }
(        segid "   A"         and       resid     8         and       name      HE21         )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.449     0.750     0.913     weight    1.000    peak      503       spectrum  5          !vol=1.92E+08  ppm1      7.299     ppm2      0.851     CV        1

assign      {         504       }
(        segid "   A"         and       resid     8         and       name      HE21         )
(        segid "   D"         and       resid     46        and       name      HD1#         )
3.206     1.285     1.285     weight    1.000    peak      504       spectrum  5          !vol=3.81E+07  ppm1      7.307     ppm2      0.888     CV        1

assign      {         505       }
(        segid "   A"         and       resid     8         and       name      HE21         )
(        segid "   D"         and       resid     48        and       name      HA           )
2.869     1.029     3.249     weight    1.000    peak      505       spectrum  5          !vol=7.43E+07  ppm1      7.263     ppm2      4.173     CV        1

assign      {         506       }
(        segid "   A"         and       resid     8         and       name      HE22         )
(        segid "   B"         and       resid     4         and       name      HG#          )
2.437     0.743     0.743     weight    1.000    peak      506       spectrum  5          !vol=1.98E+08  ppm1      6.792     ppm2      0.851     CV        1

assign      {         508       }
(        segid "   A"         and       resid     8         and       name      HE22         )
(        segid "   D"         and       resid     45        and       name      HD2#         )
2.833     1.003     1.275     weight    1.000    peak      508       spectrum  5          !vol=8.01E+07  ppm1      6.812     ppm2      0.889     CV        1

assign      {         509       }
(        segid "   A"         and       resid     8         and       name      HE22         )
(        segid "   D"         and       resid     46        and       name      HD1#         )
2.863     1.024     1.161     weight    1.000    peak      509       spectrum  5          !vol=7.52E+07  ppm1      6.801     ppm2      0.886     CV        1

assign      {         510       }
(        segid "   A"         and       resid     8         and       name      HE22         )
(        segid "   D"         and       resid     46        and       name      HD2#         )
2.743     0.940     1.064     weight    1.000    peak      510       spectrum  5          !vol=9.73E+07  ppm1      6.780     ppm2      0.850     CV        1


assign      {         512       }
(        segid "   A"         and       resid     9         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.332     1.387     2.371     weight    1.000    peak      512       spectrum  5          !vol=3.03E+07  ppm1      9.146     ppm2      0.842     CV        1

assign      {         513       }
(        segid "   A"         and       resid     9         and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.264     1.332     1.332     weight    1.000    peak      513       spectrum  5          !vol=3.42E+07  ppm1      9.136     ppm2      0.779     CV        1

assign      {         514       }
(        segid "   A"         and       resid     10        and       name      HN           )
(        segid "   B"         and       resid     7         and       name      HD2#         )
3.391     1.438     3.011     weight    1.000    peak      514       spectrum  5          !vol=2.72E+07  ppm1      9.294     ppm2      0.772     CV        1

assign      {         515       }
(        segid "   A"         and       resid     14        and       name      HD21         )
(        segid "   B"         and       resid     25        and       name      HD2#         )
3.389     1.436     1.436     weight    1.000    peak      515       spectrum  5          !vol=2.73E+07  ppm1      8.015     ppm2      0.829     CV        1

assign      {         516       }
(        segid "   A"         and       resid     14        and       name      HD21         )
(        segid "   B"         and       resid     26        and       name      HA           )
3.366     1.416     1.416     weight    1.000    peak      516       spectrum  5          !vol=2.85E+07  ppm1      8.024     ppm2      4.074     CV        1


assign      {         518       }
(        segid "   A"         and       resid     19        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD1#         )
3.441     1.480     2.098     weight    1.000    peak      518       spectrum  5          !vol=2.49E+07  ppm1      8.683     ppm2      0.641     CV        1

assign      {         519       }
(        segid "   A"         and       resid     25        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD1#         )
3.330     1.386     2.670     weight    1.000    peak      519       spectrum  5          !vol=3.04E+07  ppm1      8.338     ppm2      0.723     CV        1

assign      {         520       }
(        segid "   A"         and       resid     25        and       name      HN           )
(        segid "   B"         and       resid     18        and       name      HD2#         )
3.115     1.213     2.158     weight    1.000    peak      520       spectrum  5          !vol=4.53E+07  ppm1      8.330     ppm2      0.707     CV        1

assign      {         522       }
(        segid "   A"         and       resid     31        and       name      HN           )
(        segid "   C"         and       resid     35        and       name      HD1#         )
3.318     1.376     3.180     weight    1.000    peak      522       spectrum  5          !vol=3.11E+07  ppm1      7.230     ppm2      1.027     CV        1

assign      {         524       }
(        segid "   A"         and       resid     39        and       name      HN           )
(        segid "   C"         and       resid     30        and       name      HD2#         )
3.431     1.472     2.570     weight    1.000    peak      524       spectrum  5          !vol=2.54E+07  ppm1      8.017     ppm2      0.868     CV        1

assign      {         526       }
(        segid "   A"         and       resid     47        and       name      HE21         )
(        segid "   C"         and       resid     19        and       name      HE#          )
2.957     1.093     1.199     weight    1.000    peak      526       spectrum  5          !vol=6.20E+07  ppm1      7.571     ppm2      2.017     CV        1

assign      {         527       }
(        segid "   A"         and       resid     47        and       name      HE22         )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.333     1.388     1.388     weight    1.000    peak      527       spectrum  5          !vol=3.02E+07  ppm1      6.908     ppm2      0.835     CV        1

assign      {         528       }
(        segid "   A"         and       resid     47        and       name      HN           )
(        segid "   C"         and       resid     19        and       name      HE#          )
2.672     0.892     2.976     weight    1.000    peak      528       spectrum  5          !vol=1.14E+08  ppm1      7.927     ppm2      2.016     CV        1





assign      {         1         }
(        segid "   B"         and       resid     3         and       name      HA           )
(        segid "   A"         and       resid     12        and       name      HD#          )
3.518     1.547     2.974     weight    1.000    peak      1         spectrum  5          !vol=6.53E+05  ppm1      4.597     ppm2      3.096     CV        1

assign      {         2         }
(        segid "   B"         and       resid     4         and       name      HA           )
(        segid "   A"         and       resid     10        and       name      HB2          )
3.129     1.224     1.224     weight    1.000    peak      2         spectrum  5          !vol=1.32E+06  ppm1      4.636     ppm2      1.834     CV        1

assign      {         3         }
(        segid "   B"         and       resid     4         and       name      HA           )
(        segid "   A"         and       resid     10        and       name      HB1          )
3.188     1.270     1.270     weight    1.000    peak      3         spectrum  5          !vol=1.18E+06  ppm1      4.638     ppm2      1.719     CV        1

assign      {         4         }
(        segid "   B"         and       resid     4         and       name      HA           )
(        segid "   A"         and       resid     10        and       name      HD#          )
3.246     1.317     1.317     weight    1.000    peak      4         spectrum  5          !vol=1.06E+06  ppm1      4.629     ppm2      3.216     CV        1

assign      {         5         }
(        segid "   B"         and       resid     4         and       name      HA           )
(        segid "   A"         and       resid     10        and       name      HG2          )
2.977     1.108     1.108     weight    1.000    peak      5         spectrum  5          !vol=1.78E+06  ppm1      4.637     ppm2      1.608     CV        1

assign      {         6         }
(        segid "   B"         and       resid     4         and       name      HA           )
(        segid "   A"         and       resid     10        and       name      HG1          )
2.980     1.110     1.370     weight    1.000    peak      6         spectrum  5          !vol=1.77E+06  ppm1      4.636     ppm2      1.561     CV        1

assign      {         7         }
(        segid "   B"         and       resid     4         and       name      HB#          )
(        segid "   A"         and       resid     10        and       name      HA           )
3.416     1.458     1.458     weight    1.000    peak      7         spectrum  5          !vol=7.80E+05  ppm1      3.717     ppm2      4.876     CV        1

assign      {         8         }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     9         and       name      HB           )
3.390     1.436     1.436     weight    1.000    peak      8         spectrum  5          !vol=8.17E+05  ppm1      6.538     ppm2      1.863     CV        1

assign      {         9         }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     9         and       name      HG1#         )
2.682     0.899     1.010     weight    1.000    peak      9         spectrum  5          !vol=3.33E+06  ppm1      6.539     ppm2      0.943     CV        1

assign      {         10        }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     10        and       name      HA           )
3.315     1.374     1.374     weight    1.000    peak      10        spectrum  5          !vol=9.33E+05  ppm1      6.537     ppm2      4.875     CV        1

assign      {         11        }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     15        and       name      HA           )
3.674     1.687     1.803     weight    1.000    peak      11        spectrum  5          !vol=5.04E+05  ppm1      6.555     ppm2      3.907     CV        1

assign      {         12        }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     15        and       name      HB2          )
3.666     1.680     1.680     weight    1.000    peak      12        spectrum  5          !vol=5.10E+05  ppm1      6.531     ppm2      2.780     CV        1

assign      {         13        }
(        segid "   B"         and       resid     5         and       name      HD#          )
(        segid "   A"         and       resid     15        and       name      HB1          )
3.702     1.713     1.713     weight    1.000    peak      13        spectrum  5          !vol=4.81E+05  ppm1      6.538     ppm2      2.627     CV        1

assign      {         14        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HA           )
2.844     1.011     1.011     weight    1.000    peak      14        spectrum  5          !vol=2.34E+06  ppm1      6.503     ppm2      3.456     CV        1

assign      {         15        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HB2          )
3.301     1.362     1.362     weight    1.000    peak      15        spectrum  5          !vol=9.57E+05  ppm1      6.502     ppm2      2.028     CV        1

assign      {         16        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HB1          )
3.422     1.463     1.463     weight    1.000    peak      16        spectrum  5          !vol=7.72E+05  ppm1      6.498     ppm2      1.841     CV        1

assign      {         17        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HD#          )
2.682     0.899     0.899     weight    1.000    peak      17        spectrum  5          !vol=3.33E+06  ppm1      6.502     ppm2      3.096     CV        1

assign      {         18        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HG2          )
3.316     1.374     1.594     weight    1.000    peak      18        spectrum  5          !vol=9.32E+05  ppm1      6.503     ppm2      1.665     CV        1

assign      {         19        }
(        segid "   B"         and       resid     5         and       name      HE#          )
(        segid "   A"         and       resid     12        and       name      HG1          )
3.266     1.334     1.334     weight    1.000    peak      19        spectrum  5          !vol=1.02E+06  ppm1      6.503     ppm2      1.473     CV        1

assign      {         21        }
(        segid "   B"         and       resid     6         and       name      HA           )
(        segid "   A"         and       resid     8         and       name      HA           )
2.618     0.857     0.857     weight    1.000    peak      21        spectrum  5          !vol=3.85E+06  ppm1      5.360     ppm2      5.063     CV        1

assign      {         22        }
(        segid "   B"         and       resid     6         and       name      HA           )
(        segid "   A"         and       resid     8         and       name      HB2          )
3.462     1.498     1.849     weight    1.000    peak      22        spectrum  5          !vol=7.20E+05  ppm1      5.363     ppm2      1.896     CV        1

assign      {         23        }
(        segid "   B"         and       resid     6         and       name      HA           )
(        segid "   A"         and       resid     8         and       name      HB1          )
3.354     1.406     1.406     weight    1.000    peak      23        spectrum  5          !vol=8.70E+05  ppm1      5.361     ppm2      1.794     CV        1

assign      {         24        }
(        segid "   B"         and       resid     6         and       name      HA           )
(        segid "   A"         and       resid     8         and       name      HG#          )
3.145     1.236     1.236     weight    1.000    peak      24        spectrum  5          !vol=1.28E+06  ppm1      5.358     ppm2      2.010     CV        1

assign      {         25        }
(        segid "   B"         and       resid     6         and       name      HA           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
3.531     1.559     2.656     weight    1.000    peak      25        spectrum  5          !vol=6.39E+05  ppm1      5.358     ppm2      0.944     CV        1

assign      {         26        }
(        segid "   B"         and       resid     6         and       name      HD#          )
(        segid "   A"         and       resid     8         and       name      HA           )
3.188     1.270     1.270     weight    1.000    peak      26        spectrum  5          !vol=1.18E+06  ppm1      7.024     ppm2      5.061     CV        1

assign      {         27        }
(        segid "   B"         and       resid     6         and       name      HD#          )
(        segid "   A"         and       resid     8         and       name      HB2          )
3.240     1.313     1.313     weight    1.000    peak      27        spectrum  5          !vol=1.07E+06  ppm1      7.026     ppm2      1.892     CV        1

assign      {         28        }
(        segid "   B"         and       resid     6         and       name      HD#          )
(        segid "   A"         and       resid     8         and       name      HB1          )
3.197     1.278     1.278     weight    1.000    peak      28        spectrum  5          !vol=1.16E+06  ppm1      7.022     ppm2      1.800     CV        1

assign      {         29        }
(        segid "   B"         and       resid     6         and       name      HD#          )
(        segid "   A"         and       resid     8         and       name      HG#          )
2.901     1.052     1.052     weight    1.000    peak      29        spectrum  5          !vol=2.08E+06  ppm1      7.023     ppm2      2.010     CV        1

assign      {         30        }
(        segid "   B"         and       resid     6         and       name      HE#          )
(        segid "   A"         and       resid     8         and       name      HA           )
3.666     1.680     1.680     weight    1.000    peak      30        spectrum  5          !vol=5.10E+05  ppm1      6.690     ppm2      5.061     CV        1

assign      {         31        }
(        segid "   B"         and       resid     6         and       name      HE#          )
(        segid "   A"         and       resid     8         and       name      HB2          )
3.226     1.301     1.451     weight    1.000    peak      31        spectrum  5          !vol=1.10E+06  ppm1      6.686     ppm2      1.895     CV        1

assign      {         32        }
(        segid "   B"         and       resid     6         and       name      HE#          )
(        segid "   A"         and       resid     8         and       name      HB1          )
3.153     1.243     1.243     weight    1.000    peak      32        spectrum  5          !vol=1.26E+06  ppm1      6.688     ppm2      1.801     CV        1

assign      {         33        }
(        segid "   B"         and       resid     6         and       name      HE#          )
(        segid "   A"         and       resid     8         and       name      HG#          )
2.865     1.026     1.026     weight    1.000    peak      33        spectrum  5          !vol=2.24E+06  ppm1      6.690     ppm2      2.009     CV        1

assign      {         34        }
(        segid "   B"         and       resid     7         and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD#          )
3.374     1.423     1.794     weight    1.000    peak      34        spectrum  5          !vol=8.40E+05  ppm1      4.938     ppm2      0.841     CV        1

assign      {         35        }
(        segid "   B"         and       resid     7         and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.461     1.497     1.789     weight    1.000    peak      35        spectrum  5          !vol=7.21E+05  ppm1      4.936     ppm2      0.786     CV        1

assign      {         36        }
(        segid "   B"         and       resid     7         and       name      HA           )
(        segid "   A"         and       resid     19        and       name      HE#          )
2.880     1.037     1.037     weight    1.000    peak      36        spectrum  5          !vol=2.17E+06  ppm1      4.934     ppm2      2.021     CV        1

assign      {         37        }
(        segid "   B"         and       resid     7         and       name      HB2          )
(        segid "   A"         and       resid     6         and       name      HA           )
3.721     1.730     2.085     weight    1.000    peak      37        spectrum  5          !vol=4.67E+05  ppm1      1.885     ppm2      5.353     CV        1

assign      {         38        }
(        segid "   B"         and       resid     7         and       name      HB2          )
(        segid "   A"         and       resid     7         and       name      HB2          )
3.153     1.243     1.243     weight    1.000    peak      38        spectrum  5          !vol=1.26E+06  ppm1      1.884     ppm2      1.881     CV        1

assign      {         39        }
(        segid "   B"         and       resid     7         and       name      HB2          )
(        segid "   A"         and       resid     7         and       name      HB1          )
3.240     1.313     1.313     weight    1.000    peak      39        spectrum  5          !vol=1.07E+06  ppm1      1.878     ppm2      1.634     CV        1

assign      {         40        }
(        segid "   B"         and       resid     7         and       name      HB1          )
(        segid "   A"         and       resid     7         and       name      HD#          )
2.752     0.947     0.947     weight    1.000    peak      40        spectrum  5          !vol=2.85E+06  ppm1      1.634     ppm2      0.844     CV        1

assign      {         41        }
(        segid "   B"         and       resid     7         and       name      HB1          )
(        segid "   A"         and       resid     9         and       name      HG2#         )
2.806     0.984     1.869     weight    1.000    peak      41        spectrum  5          !vol=2.54E+06  ppm1      1.630     ppm2      0.989     CV        1

assign      {         42        }
(        segid "   B"         and       resid     8         and       name      HA           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.955     1.092     1.092     weight    1.000    peak      42        spectrum  5          !vol=1.86E+06  ppm1      5.064     ppm2      0.853     CV        1

assign      {         43        }
(        segid "   B"         and       resid     8         and       name      HA           )
(        segid "   A"         and       resid     6         and       name      HB2          )
3.665     1.679     1.679     weight    1.000    peak      43        spectrum  5          !vol=5.11E+05  ppm1      5.069     ppm2      2.951     CV        1

assign      {         44        }
(        segid "   B"         and       resid     8         and       name      HA           )
(        segid "   A"         and       resid     6         and       name      HB1          )
3.531     1.559     1.559     weight    1.000    peak      44        spectrum  5          !vol=6.39E+05  ppm1      5.061     ppm2      2.841     CV        1

assign      {         46        }
(        segid "   B"         and       resid     10        and       name      HA           )
(        segid "   A"         and       resid     3         and       name      HB#          )
3.765     1.772     1.772     weight    1.000    peak      46        spectrum  5          !vol=4.35E+05  ppm1      4.870     ppm2      2.611     CV        1

assign      {         47        }
(        segid "   B"         and       resid     10        and       name      HA           )
(        segid "   A"         and       resid     4         and       name      HA           )
2.326     0.676     0.676     weight    1.000    peak      47        spectrum  5          !vol=7.82E+06  ppm1      4.877     ppm2      4.633     CV        1

assign      {         48        }
(        segid "   B"         and       resid     10        and       name      HA           )
(        segid "   A"         and       resid     4         and       name      HB#          )
2.940     1.080     1.488     weight    1.000    peak      48        spectrum  5          !vol=1.92E+06  ppm1      4.875     ppm2      3.714     CV        1

assign      {         49        }
(        segid "   B"         and       resid     10        and       name      HA           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.503     0.783     0.783     weight    1.000    peak      49        spectrum  5          !vol=5.04E+06  ppm1      4.878     ppm2      0.850     CV        1

assign      {         50        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HA           )
3.745     1.753     1.753     weight    1.000    peak      50        spectrum  5          !vol=4.49E+05  ppm1      7.392     ppm2      4.931     CV        1

assign      {         51        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HB2          )
3.831     1.834     2.582     weight    1.000    peak      51        spectrum  5          !vol=3.92E+05  ppm1      7.390     ppm2      1.887     CV        1

assign      {         52        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HB1          )
3.798     1.803     1.803     weight    1.000    peak      52        spectrum  5          !vol=4.13E+05  ppm1      7.398     ppm2      1.639     CV        1

assign      {         53        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HD#          )
3.060     1.170     1.170     weight    1.000    peak      53        spectrum  5          !vol=1.51E+06  ppm1      7.394     ppm2      0.844     CV        1

assign      {         54        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.170     1.256     2.430     weight    1.000    peak      54        spectrum  5          !vol=1.22E+06  ppm1      7.392     ppm2      0.783     CV        1

assign      {         55        }
(        segid "   B"         and       resid     15        and       name      HZ           )
(        segid "   A"         and       resid     7         and       name      HG           )
3.804     1.809     2.152     weight    1.000    peak      55        spectrum  5          !vol=4.09E+05  ppm1      7.398     ppm2      1.760     CV        1

assign      {         58        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     2         and       name      HA           )
3.359     1.410     2.084     weight    1.000    peak      58        spectrum  5          !vol=8.63E+05  ppm1      6.671     ppm2      4.281     CV        1

assign      {         59        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HA           )
3.672     1.686     1.686     weight    1.000    peak      59        spectrum  5          !vol=5.05E+05  ppm1      6.678     ppm2      4.930     CV        1

assign      {         60        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HB2          )
3.494     1.526     1.801     weight    1.000    peak      60        spectrum  5          !vol=6.81E+05  ppm1      6.675     ppm2      1.879     CV        1

assign      {         61        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HB1          )
3.492     1.524     1.826     weight    1.000    peak      61        spectrum  5          !vol=6.83E+05  ppm1      6.672     ppm2      1.632     CV        1

assign      {         62        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HD#          )
2.694     0.907     0.907     weight    1.000    peak      62        spectrum  5          !vol=3.24E+06  ppm1      6.670     ppm2      0.845     CV        1

assign      {         63        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.662     0.886     0.886     weight    1.000    peak      63        spectrum  5          !vol=3.48E+06  ppm1      6.671     ppm2      0.786     CV        1

assign      {         64        }
(        segid "   B"         and       resid     15        and       name      HD#          )
(        segid "   A"         and       resid     7         and       name      HG           )
3.484     1.517     1.517     weight    1.000    peak      64        spectrum  5          !vol=6.93E+05  ppm1      6.671     ppm2      1.760     CV        1


assign      {         67        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HA           )
3.033     1.150     1.150     weight    1.000    peak      67        spectrum  5          !vol=1.59E+06  ppm1      7.261     ppm2      4.928     CV        1

assign      {         68        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HB2          )
3.033     1.150     1.283     weight    1.000    peak      68        spectrum  5          !vol=1.59E+06  ppm1      7.260     ppm2      1.883     CV        1

assign      {         69        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HB1          )
3.021     1.141     1.141     weight    1.000    peak      69        spectrum  5          !vol=1.63E+06  ppm1      7.259     ppm2      1.632     CV        1

assign      {         70        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HD#          )
2.601     0.846     0.846     weight    1.000    peak      70        spectrum  5          !vol=4.00E+06  ppm1      7.259     ppm2      0.845     CV        1

assign      {         71        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.572     0.827     0.827     weight    1.000    peak      71        spectrum  5          !vol=4.28E+06  ppm1      7.260     ppm2      0.786     CV        1

assign      {         72        }
(        segid "   B"         and       resid     15        and       name      HE#          )
(        segid "   A"         and       resid     7         and       name      HG           )
3.133     1.227     1.227     weight    1.000    peak      72        spectrum  5          !vol=1.31E+06  ppm1      7.259     ppm2      1.760     CV        1

assign      {         74        }
(        segid "   B"         and       resid     16        and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.578     1.601     1.991     weight    1.000    peak      74        spectrum  5          !vol=5.90E+05  ppm1      3.498     ppm2      0.790     CV        1

assign      {         85        }
(        segid "   B"         and       resid     19        and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD#          )
2.472     0.764     0.764     weight    1.000    peak      85        spectrum  5          !vol=5.43E+06  ppm1      4.076     ppm2      0.844     CV        1

assign      {         86        }
(        segid "   B"         and       resid     19        and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.581     0.833     0.833     weight    1.000    peak      86        spectrum  5          !vol=4.19E+06  ppm1      4.077     ppm2      0.786     CV        1

assign      {         87        }
(        segid "   B"         and       resid     19        and       name      HA           )
(        segid "   A"         and       resid     18        and       name      HD1#         )
3.540     1.566     1.920     weight    1.000    peak      87        spectrum  5          !vol=6.30E+05  ppm1      4.079     ppm2      0.733     CV        1

assign      {         99        }
(        segid "   B"         and       resid     22        and       name      HA           )
(        segid "   A"         and       resid     18        and       name      HD1#         )
2.791     0.974     0.974     weight    1.000    peak      99        spectrum  5          !vol=2.62E+06  ppm1      3.759     ppm2      0.729     CV        1

assign      {         100       }
(        segid "   B"         and       resid     22        and       name      HA           )
(        segid "   A"         and       resid     18        and       name      HG           )
3.705     1.716     1.716     weight    1.000    peak      100       spectrum  5          !vol=4.79E+05  ppm1      3.750     ppm2      1.801     CV        1

assign      {         101       }
(        segid "   B"         and       resid     22        and       name      HG1          )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.070     1.178     1.178     weight    1.000    peak      101       spectrum  5          !vol=1.48E+06  ppm1      1.422     ppm2      0.991     CV        1

assign      {         102       }
(        segid "   B"         and       resid     24        and       name      HA           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
2.971     1.104     1.618     weight    1.000    peak      102       spectrum  5          !vol=1.80E+06  ppm1      4.126     ppm2      0.829     CV        1

assign      {         103       }
(        segid "   B"         and       resid     24        and       name      HA           )
(        segid "   D"         and       resid     28        and       name      HB2          )
3.288     1.351     2.040     weight    1.000    peak      103       spectrum  5          !vol=9.81E+05  ppm1      4.137     ppm2      2.118     CV        1

assign      {         104       }
(        segid "   B"         and       resid     24        and       name      HA           )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.506     0.785     0.785     weight    1.000    peak      104       spectrum  5          !vol=5.00E+06  ppm1      4.130     ppm2      1.979     CV        1

assign      {         105       }
(        segid "   B"         and       resid     24        and       name      HA           )
(        segid "   D"         and       resid     28        and       name      HG2          )
3.137     1.230     1.444     weight    1.000    peak      105       spectrum  5          !vol=1.30E+06  ppm1      4.139     ppm2      2.697     CV        1

assign      {         106       }
(        segid "   B"         and       resid     24        and       name      HA           )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.106     1.206     1.206     weight    1.000    peak      106       spectrum  5          !vol=1.38E+06  ppm1      4.138     ppm2      2.474     CV        1

assign      {         107       }
(        segid "   B"         and       resid     24        and       name      HB2          )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.661     0.885     2.565     weight    1.000    peak      107       spectrum  5          !vol=3.49E+06  ppm1      3.906     ppm2      1.979     CV        1

assign      {         108       }
(        segid "   B"         and       resid     24        and       name      HB1          )
(        segid "   D"         and       resid     28        and       name      HE#          )
3.060     1.170     1.170     weight    1.000    peak      108       spectrum  5          !vol=1.51E+06  ppm1      3.735     ppm2      1.977     CV        1

assign      {         109       }
(        segid "   B"         and       resid     24        and       name      HB1          )
(        segid "   D"         and       resid     28        and       name      HG2          )
3.653     1.668     1.996     weight    1.000    peak      109       spectrum  5          !vol=5.21E+05  ppm1      3.730     ppm2      2.699     CV        1

assign      {         110       }
(        segid "   B"         and       resid     24        and       name      HB1          )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.631     1.648     1.648     weight    1.000    peak      110       spectrum  5          !vol=5.41E+05  ppm1      3.734     ppm2      2.476     CV        1


assign      {         112       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     28        and       name      HB2          )
3.442     1.481     2.416     weight    1.000    peak      112       spectrum  5          !vol=7.45E+05  ppm1      0.608     ppm2      2.133     CV        1

assign      {         113       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.060     0.531     1.204     weight    1.000    peak      113       spectrum  5          !vol=1.62E+07  ppm1      0.614     ppm2      1.979     CV        1

assign      {         114       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     28        and       name      HG2          )
3.158     1.246     1.246     weight    1.000    peak      114       spectrum  5          !vol=1.25E+06  ppm1      0.614     ppm2      2.696     CV        1

assign      {         115       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.009     1.132     1.132     weight    1.000    peak      115       spectrum  5          !vol=1.67E+06  ppm1      0.616     ppm2      2.473     CV        1

assign      {         116       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     31        and       name      HB           )
3.734     1.743     2.395     weight    1.000    peak      116       spectrum  5          !vol=4.57E+05  ppm1      0.609     ppm2      1.950     CV        1

assign      {         117       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     36        and       name      HA           )
3.251     1.321     1.321     weight    1.000    peak      117       spectrum  5          !vol=1.05E+06  ppm1      0.613     ppm2      3.542     CV        1

assign      {         118       }
(        segid "   B"         and       resid     27        and       name      HD1#         )
(        segid "   D"         and       resid     36        and       name      HG1#         )
2.629     0.864     0.864     weight    1.000    peak      118       spectrum  5          !vol=3.75E+06  ppm1      0.614     ppm2      0.912     CV        1


assign      {         120       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     31        and       name      HB           )
3.620     1.638     2.380     weight    1.000    peak      120       spectrum  5          !vol=5.51E+05  ppm1      0.482     ppm2      1.950     CV        1

assign      {         121       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     36        and       name      HA           )
3.037     1.153     1.153     weight    1.000    peak      121       spectrum  5          !vol=1.58E+06  ppm1      0.479     ppm2      3.540     CV        1

assign      {         122       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     36        and       name      HG1#         )
2.898     1.050     1.050     weight    1.000    peak      122       spectrum  5          !vol=2.09E+06  ppm1      0.479     ppm2      0.911     CV        1

assign      {         123       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     39        and       name      HB2          )
3.567     1.590     1.590     weight    1.000    peak      123       spectrum  5          !vol=6.02E+05  ppm1      0.478     ppm2      3.362     CV        1

assign      {         124       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     39        and       name      HB1          )
3.502     1.533     1.533     weight    1.000    peak      124       spectrum  5          !vol=6.72E+05  ppm1      0.484     ppm2      3.128     CV        1

assign      {         125       }
(        segid "   B"         and       resid     27        and       name      HG           )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.901     1.052     1.955     weight    1.000    peak      125       spectrum  5          !vol=2.08E+06  ppm1      1.101     ppm2      1.979     CV        1

assign      {         126       }
(        segid "   B"         and       resid     27        and       name      HG           )
(        segid "   D"         and       resid     28        and       name      HG2          )
3.877     1.879     2.120     weight    1.000    peak      126       spectrum  5          !vol=3.65E+05  ppm1      1.091     ppm2      2.688     CV        1

assign      {         127       }
(        segid "   B"         and       resid     27        and       name      HG           )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.873     1.875     2.130     weight    1.000    peak      127       spectrum  5          !vol=3.67E+05  ppm1      1.105     ppm2      2.471     CV        1

assign      {         128       }
(        segid "   B"         and       resid     28        and       name      HA           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.235     1.309     2.770     weight    1.000    peak      128       spectrum  5          !vol=1.08E+06  ppm1      3.934     ppm2      0.611     CV        1

assign      {         129       }
(        segid "   B"         and       resid     28        and       name      HA           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.206     1.285     2.790     weight    1.000    peak      129       spectrum  5          !vol=1.14E+06  ppm1      3.927     ppm2      0.474     CV        1

assign      {         130       }
(        segid "   B"         and       resid     28        and       name      HG2          )
(        segid "   D"         and       resid     24        and       name      HA           )
3.714     1.724     1.724     weight    1.000    peak      130       spectrum  5          !vol=4.72E+05  ppm1      2.696     ppm2      4.132     CV        1

assign      {         131       }
(        segid "   B"         and       resid     28        and       name      HG2          )
(        segid "   D"         and       resid     24        and       name      HB2          )
3.982     1.982     1.982     weight    1.000    peak      131       spectrum  5          !vol=3.11E+05  ppm1      2.700     ppm2      3.904     CV        1

assign      {         132       }
(        segid "   B"         and       resid     28        and       name      HG2          )
(        segid "   D"         and       resid     24        and       name      HB1          )
3.986     1.986     1.986     weight    1.000    peak      132       spectrum  5          !vol=3.09E+05  ppm1      2.697     ppm2      3.731     CV        1

assign      {         133       }
(        segid "   B"         and       resid     28        and       name      HG2          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.431     1.471     1.471     weight    1.000    peak      133       spectrum  5          !vol=7.60E+05  ppm1      2.701     ppm2      0.612     CV        1

assign      {         134       }
(        segid "   B"         and       resid     28        and       name      HG2          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.864     1.867     2.180     weight    1.000    peak      134       spectrum  5          !vol=3.72E+05  ppm1      2.695     ppm2      0.472     CV        1

assign      {         135       }
(        segid "   B"         and       resid     28        and       name      HG1          )
(        segid "   D"         and       resid     24        and       name      HA           )
3.921     1.922     1.922     weight    1.000    peak      135       spectrum  5          !vol=3.41E+05  ppm1      2.473     ppm2      4.125     CV        1

assign      {         136       }
(        segid "   B"         and       resid     28        and       name      HG1          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.141     1.233     1.233     weight    1.000    peak      136       spectrum  5          !vol=1.29E+06  ppm1      2.477     ppm2      0.612     CV        1

assign      {         137       }
(        segid "   B"         and       resid     28        and       name      HG1          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.573     1.596     1.596     weight    1.000    peak      137       spectrum  5          !vol=5.95E+05  ppm1      2.470     ppm2      0.475     CV        1


assign      {         139       }
(        segid "   B"         and       resid     31        and       name      HB           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
2.937     1.078     3.060     weight    1.000    peak      139       spectrum  5          !vol=1.93E+06  ppm1      1.940     ppm2      0.927     CV        1

assign      {         140       }
(        segid "   B"         and       resid     35        and       name      HB1          )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.145     1.236     1.236     weight    1.000    peak      140       spectrum  5          !vol=1.28E+06  ppm1      1.512     ppm2      0.927     CV        1

assign      {         141       }
(        segid "   B"         and       resid     36        and       name      HA           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.046     1.160     1.160     weight    1.000    peak      141       spectrum  5          !vol=1.55E+06  ppm1      3.543     ppm2      0.612     CV        1

assign      {         142       }
(        segid "   B"         and       resid     36        and       name      HA           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.697     0.909     0.909     weight    1.000    peak      142       spectrum  5          !vol=3.22E+06  ppm1      3.543     ppm2      0.474     CV        1

assign      {         143       }
(        segid "   B"         and       resid     36        and       name      HA           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.481     1.515     1.515     weight    1.000    peak      143       spectrum  5          !vol=6.96E+05  ppm1      3.541     ppm2      0.928     CV        1

assign      {         144       }
(        segid "   B"         and       resid     36        and       name      HG1#         )
(        segid "   D"         and       resid     27        and       name      HD1#         )
2.389     0.714     0.714     weight    1.000    peak      144       spectrum  5          !vol=6.66E+06  ppm1      0.910     ppm2      0.612     CV        1

assign      {         145       }
(        segid "   B"         and       resid     36        and       name      HG1#         )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.271     0.645     1.605     weight    1.000    peak      145       spectrum  5          !vol=9.03E+06  ppm1      0.914     ppm2      0.474     CV        1

assign      {         148       }
(        segid "   B"         and       resid     39        and       name      HA           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.060     1.170     1.301     weight    1.000    peak      148       spectrum  5          !vol=1.51E+06  ppm1      4.223     ppm2      0.473     CV        1

assign      {         149       }
(        segid "   B"         and       resid     39        and       name      HB2          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.333     1.388     1.388     weight    1.000    peak      149       spectrum  5          !vol=9.04E+05  ppm1      3.372     ppm2      0.473     CV        1

assign      {         150       }
(        segid "   B"         and       resid     39        and       name      HB2          )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.772     1.779     1.779     weight    1.000    peak      150       spectrum  5          !vol=4.30E+05  ppm1      3.367     ppm2      0.931     CV        1

assign      {         151       }
(        segid "   B"         and       resid     39        and       name      HB1          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.938     1.939     1.939     weight    1.000    peak      151       spectrum  5          !vol=3.32E+05  ppm1      3.128     ppm2      0.611     CV        1

assign      {         152       }
(        segid "   B"         and       resid     39        and       name      HB1          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.170     1.256     1.256     weight    1.000    peak      152       spectrum  5          !vol=1.22E+06  ppm1      3.135     ppm2      0.474     CV        1

assign      {         153       }
(        segid "   B"         and       resid     39        and       name      HB1          )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.558     1.582     1.582     weight    1.000    peak      153       spectrum  5          !vol=6.11E+05  ppm1      3.131     ppm2      0.929     CV        1

assign      {         154       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     23        and       name      HB2          )
3.775     1.781     1.781     weight    1.000    peak      154       spectrum  5          !vol=4.28E+05  ppm1      7.058     ppm2      2.283     CV        1

assign      {         155       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     23        and       name      HB1          )
3.946     1.947     1.947     weight    1.000    peak      155       spectrum  5          !vol=3.28E+05  ppm1      7.056     ppm2      2.107     CV        1

assign      {         156       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     23        and       name      HG2          )
3.584     1.605     1.605     weight    1.000    peak      156       spectrum  5          !vol=5.85E+05  ppm1      7.056     ppm2      2.468     CV        1

assign      {         157       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     23        and       name      HG1          )
3.731     1.740     1.861     weight    1.000    peak      157       spectrum  5          !vol=4.59E+05  ppm1      7.053     ppm2      2.197     CV        1

assign      {         158       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.018     1.138     1.138     weight    1.000    peak      158       spectrum  5          !vol=1.64E+06  ppm1      7.054     ppm2      0.611     CV        1

assign      {         159       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.609     0.851     0.851     weight    1.000    peak      159       spectrum  5          !vol=3.93E+06  ppm1      7.055     ppm2      0.475     CV        1

assign      {         160       }
(        segid "   B"         and       resid     39        and       name      HD#          )
(        segid "   D"         and       resid     30        and       name      HD1#         )
2.932     1.075     1.075     weight    1.000    peak      160       spectrum  5          !vol=1.95E+06  ppm1      7.056     ppm2      0.928     CV        1

assign      {         161       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HB2          )
2.961     1.096     1.096     weight    1.000    peak      161       spectrum  5          !vol=1.84E+06  ppm1      6.803     ppm2      2.266     CV        1

assign      {         162       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HB1          )
3.067     1.175     1.175     weight    1.000    peak      162       spectrum  5          !vol=1.49E+06  ppm1      6.803     ppm2      2.120     CV        1

assign      {         163       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HG2          )
2.985     1.114     1.114     weight    1.000    peak      163       spectrum  5          !vol=1.75E+06  ppm1      6.803     ppm2      2.464     CV        1

assign      {         164       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HG1          )
3.088     1.192     1.192     weight    1.000    peak      164       spectrum  5          !vol=1.43E+06  ppm1      6.803     ppm2      2.198     CV        1

assign      {         165       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     26        and       name      HA           )
3.361     1.412     2.513     weight    1.000    peak      165       spectrum  5          !vol=8.59E+05  ppm1      6.806     ppm2      4.082     CV        1

assign      {         166       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     26        and       name      HG2#         )
3.762     1.769     1.769     weight    1.000    peak      166       spectrum  5          !vol=4.37E+05  ppm1      6.801     ppm2      2.860     CV        1

assign      {         167       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     26        and       name      HG1          )
3.663     1.677     1.677     weight    1.000    peak      167       spectrum  5          !vol=5.13E+05  ppm1      6.798     ppm2      2.314     CV        1

assign      {         168       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.030     1.148     1.148     weight    1.000    peak      168       spectrum  5          !vol=1.60E+06  ppm1      6.804     ppm2      0.612     CV        1

assign      {         169       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.898     1.050     1.050     weight    1.000    peak      169       spectrum  5          !vol=2.09E+06  ppm1      6.803     ppm2      0.475     CV        1

assign      {         170       }
(        segid "   B"         and       resid     39        and       name      HE#          )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.355     1.407     2.643     weight    1.000    peak      170       spectrum  5          !vol=8.69E+05  ppm1      6.800     ppm2      0.931     CV        1

assign      {         200       }
(        segid "   B"         and       resid     5         and       name      HN           )
(        segid "   A"         and       resid     8         and       name      HG#          )
3.082     1.188     1.188     weight    1.000    peak      200       spectrum  5          !vol=4.83E+07  ppm1      8.879     ppm2      2.006     CV        1

assign      {         201       }
(        segid "   B"         and       resid     5         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HB           )
3.129     1.224     1.224     weight    1.000    peak      201       spectrum  5          !vol=4.41E+07  ppm1      8.881     ppm2      1.865     CV        1

assign      {         202       }
(        segid "   B"         and       resid     5         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
2.762     0.954     1.312     weight    1.000    peak      202       spectrum  5          !vol=9.33E+07  ppm1      8.887     ppm2      0.939     CV        1

assign      {         203       }
(        segid "   B"         and       resid     5         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.018     1.139     1.685     weight    1.000    peak      203       spectrum  5          !vol=5.48E+07  ppm1      8.896     ppm2      0.980     CV        1

assign      {         204       }
(        segid "   B"         and       resid     6         and       name      HN           )
(        segid "   A"         and       resid     8         and       name      HG#          )
3.471     1.506     1.506     weight    1.000    peak      204       spectrum  5          !vol=2.37E+07  ppm1      8.463     ppm2      2.003     CV        1

assign      {         205       }
(        segid "   B"         and       resid     6         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
2.932     1.074     3.570     weight    1.000    peak      205       spectrum  5          !vol=6.52E+07  ppm1      8.457     ppm2      0.939     CV        1

assign      {         206       }
(        segid "   B"         and       resid     6         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.371     1.421     3.084     weight    1.000    peak      206       spectrum  5          !vol=2.82E+07  ppm1      8.468     ppm2      0.983     CV        1

assign      {         207       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     6         and       name      HB2          )
3.644     1.659     1.659     weight    1.000    peak      207       spectrum  5          !vol=1.77E+07  ppm1      9.224     ppm2      2.959     CV        1

assign      {         208       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HB2          )
3.100     1.201     1.201     weight    1.000    peak      208       spectrum  5          !vol=4.67E+07  ppm1      9.231     ppm2      1.875     CV        1

assign      {         209       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HB1          )
3.313     1.372     1.372     weight    1.000    peak      209       spectrum  5          !vol=3.13E+07  ppm1      9.222     ppm2      1.623     CV        1

assign      {         210       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.064     1.174     2.810     weight    1.000    peak      210       spectrum  5          !vol=5.00E+07  ppm1      9.223     ppm2      0.840     CV        1

assign      {         211       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.044     1.158     1.736     weight    1.000    peak      211       spectrum  5          !vol=5.21E+07  ppm1      9.221     ppm2      0.779     CV        1

assign      {         212       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     8         and       name      HB2          )
3.426     1.467     2.756     weight    1.000    peak      212       spectrum  5          !vol=2.56E+07  ppm1      9.228     ppm2      1.895     CV        1

assign      {         213       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     8         and       name      HB1          )
3.388     1.435     1.970     weight    1.000    peak      213       spectrum  5          !vol=2.74E+07  ppm1      9.231     ppm2      1.813     CV        1

assign      {         214       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     8         and       name      HG#          )
3.121     1.218     2.015     weight    1.000    peak      214       spectrum  5          !vol=4.48E+07  ppm1      9.222     ppm2      2.012     CV        1

assign      {         215       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
3.390     1.436     2.904     weight    1.000    peak      215       spectrum  5          !vol=2.73E+07  ppm1      9.211     ppm2      0.946     CV        1

assign      {         216       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.165     1.252     2.626     weight    1.000    peak      216       spectrum  5          !vol=4.12E+07  ppm1      9.228     ppm2      0.983     CV        1

assign      {         217       }
(        segid "   B"         and       resid     8         and       name      HN           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.927     1.071     1.885     weight    1.000    peak      217       spectrum  5          !vol=6.58E+07  ppm1      8.651     ppm2      0.852     CV        1

assign      {         218       }
(        segid "   B"         and       resid     8         and       name      HN           )
(        segid "   A"         and       resid     19        and       name      HE#          )
2.708     0.917     1.454     weight    1.000    peak      218       spectrum  5          !vol=1.05E+08  ppm1      8.650     ppm2      2.019     CV        1

assign      {         219       }
(        segid "   B"         and       resid     8         and       name      HN           )
(        segid "   A"         and       resid     19        and       name      HG#          )
3.475     1.510     1.774     weight    1.000    peak      219       spectrum  5          !vol=2.35E+07  ppm1      8.652     ppm2      1.903     CV        1

assign      {         220       }
(        segid "   B"         and       resid     8         and       name      HN           )
(        segid "   A"         and       resid     22        and       name      HE1          )
3.317     1.375     1.375     weight    1.000    peak      220       spectrum  5          !vol=3.11E+07  ppm1      8.649     ppm2      3.094     CV        1

assign      {         221       }
(        segid "   B"         and       resid     9         and       name      HN           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.469     0.762     0.762     weight    1.000    peak      221       spectrum  5          !vol=1.83E+08  ppm1      9.141     ppm2      0.851     CV        1

assign      {         222       }
(        segid "   B"         and       resid     10        and       name      HN           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.940     1.081     1.081     weight    1.000    peak      222       spectrum  5          !vol=6.41E+07  ppm1      9.295     ppm2      0.851     CV        1

assign      {         223       }
(        segid "   B"         and       resid     11        and       name      HN           )
(        segid "   A"         and       resid     3         and       name      HB#          )
3.064     1.174     1.336     weight    1.000    peak      223       spectrum  5          !vol=5.00E+07  ppm1      8.792     ppm2      2.622     CV        1

assign      {         224       }
(        segid "   B"         and       resid     11        and       name      HN           )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.876     1.034     1.484     weight    1.000    peak      224       spectrum  5          !vol=7.32E+07  ppm1      8.790     ppm2      0.852     CV        1

assign      {         225       }
(        segid "   B"         and       resid     14        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
3.047     1.161     1.443     weight    1.000    peak      225       spectrum  5          !vol=5.17E+07  ppm1      7.831     ppm2      0.645     CV        1

assign      {         226       }
(        segid "   B"         and       resid     14        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
2.761     0.953     1.473     weight    1.000    peak      226       spectrum  5          !vol=9.35E+07  ppm1      7.841     ppm2      0.825     CV        1

assign      {         227       }
(        segid "   B"         and       resid     15        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.329     1.386     3.170     weight    1.000    peak      227       spectrum  5          !vol=3.04E+07  ppm1      8.043     ppm2      0.842     CV        1

assign      {         228       }
(        segid "   B"         and       resid     15        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.431     1.471     1.889     weight    1.000    peak      228       spectrum  5          !vol=2.54E+07  ppm1      8.086     ppm2      0.776     CV        1

assign      {         229       }
(        segid "   B"         and       resid     15        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
3.281     1.346     1.346     weight    1.000    peak      229       spectrum  5          !vol=3.32E+07  ppm1      8.044     ppm2      0.644     CV        1

assign      {         230       }
(        segid "   B"         and       resid     16        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.227     1.301     2.782     weight    1.000    peak      230       spectrum  5          !vol=3.67E+07  ppm1      8.439     ppm2      0.841     CV        1

assign      {         231       }
(        segid "   B"         and       resid     16        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.238     1.311     2.487     weight    1.000    peak      231       spectrum  5          !vol=3.59E+07  ppm1      8.437     ppm2      0.770     CV        1

assign      {         235       }
(        segid "   B"         and       resid     17        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
3.183     1.267     1.267     weight    1.000    peak      235       spectrum  5          !vol=3.98E+07  ppm1      7.645     ppm2      0.646     CV        1

assign      {         236       }
(        segid "   B"         and       resid     17        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
3.012     1.134     1.956     weight    1.000    peak      236       spectrum  5          !vol=5.55E+07  ppm1      7.646     ppm2      0.824     CV        1

assign      {         237       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
2.656     0.882     2.491     weight    1.000    peak      237       spectrum  5          !vol=1.18E+08  ppm1      7.929     ppm2      0.840     CV        1

assign      {         238       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.667     0.889     1.220     weight    1.000    peak      238       spectrum  5          !vol=1.15E+08  ppm1      7.928     ppm2      0.780     CV        1

assign      {         239       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     17        and       name      HD#          )
3.266     1.334     2.224     weight    1.000    peak      239       spectrum  5          !vol=3.41E+07  ppm1      7.921     ppm2      0.865     CV        1

assign      {         240       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     17        and       name      HG2#         )
3.252     1.322     2.010     weight    1.000    peak      240       spectrum  5          !vol=3.50E+07  ppm1      7.925     ppm2      0.843     CV        1

assign      {         242       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD2#         )
2.855     1.019     2.661     weight    1.000    peak      242       spectrum  5          !vol=7.65E+07  ppm1      7.930     ppm2      0.706     CV        1

assign      {         243       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     21        and       name      HD2#         )
3.409     1.452     1.822     weight    1.000    peak      243       spectrum  5          !vol=2.64E+07  ppm1      7.922     ppm2      0.735     CV        1

assign      {         244       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
2.917     1.064     1.064     weight    1.000    peak      244       spectrum  5          !vol=6.72E+07  ppm1      7.921     ppm2      0.643     CV        1

assign      {         245       }
(        segid "   B"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
3.306     1.366     2.032     weight    1.000    peak      245       spectrum  5          !vol=3.17E+07  ppm1      7.939     ppm2      0.823     CV        1

assign      {         246       }
(        segid "   B"         and       resid     19        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
2.497     0.779     0.980     weight    1.000    peak      246       spectrum  5          !vol=1.71E+08  ppm1      8.666     ppm2      0.839     CV        1

assign      {         247       }
(        segid "   B"         and       resid     19        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.575     0.829     0.829     weight    1.000    peak      247       spectrum  5          !vol=1.42E+08  ppm1      8.667     ppm2      0.779     CV        1

assign      {         248       }
(        segid "   B"         and       resid     19        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD2#         )
3.251     1.321     1.535     weight    1.000    peak      248       spectrum  5          !vol=3.51E+07  ppm1      8.669     ppm2      0.711     CV        1

assign      {         249       }
(        segid "   B"         and       resid     20        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.094     1.197     1.879     weight    1.000    peak      249       spectrum  5          !vol=4.72E+07  ppm1      7.347     ppm2      0.838     CV        1

assign      {         251       }
(        segid "   B"         and       resid     21        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.069     1.177     2.607     weight    1.000    peak      251       spectrum  5          !vol=4.96E+07  ppm1      7.652     ppm2      0.837     CV        1

assign      {         252       }
(        segid "   B"         and       resid     21        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.979     1.109     2.317     weight    1.000    peak      252       spectrum  5          !vol=5.93E+07  ppm1      7.654     ppm2      0.779     CV        1

assign      {         253       }
(        segid "   B"         and       resid     21        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD2#         )
2.791     0.973     1.860     weight    1.000    peak      253       spectrum  5          !vol=8.77E+07  ppm1      7.657     ppm2      0.705     CV        1

assign      {         256       }
(        segid "   B"         and       resid     22        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
2.737     0.936     1.925     weight    1.000    peak      256       spectrum  5          !vol=9.85E+07  ppm1      8.922     ppm2      0.840     CV        1

assign      {         257       }
(        segid "   B"         and       resid     22        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
2.872     1.031     1.524     weight    1.000    peak      257       spectrum  5          !vol=7.38E+07  ppm1      8.922     ppm2      0.778     CV        1

assign      {         258       }
(        segid "   B"         and       resid     22        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD1#         )
2.960     1.095     1.095     weight    1.000    peak      258       spectrum  5          !vol=6.16E+07  ppm1      8.925     ppm2      0.726     CV        1

assign      {         259       }
(        segid "   B"         and       resid     22        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD2#         )
2.721     0.926     0.926     weight    1.000    peak      259       spectrum  5          !vol=1.02E+08  ppm1      8.924     ppm2      0.705     CV        1


assign      {         261       }
(        segid "   B"         and       resid     24        and       name      HN           )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.581     0.833     2.779     weight    1.000    peak      261       spectrum  5          !vol=1.40E+08  ppm1      7.853     ppm2      1.979     CV        1

assign      {         262       }
(        segid "   B"         and       resid     24        and       name      HN           )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.278     1.343     2.841     weight    1.000    peak      262       spectrum  5          !vol=3.34E+07  ppm1      7.844     ppm2      2.479     CV        1

assign      {         263       }
(        segid "   B"         and       resid     25        and       name      HN           )
(        segid "   D"         and       resid     21        and       name      HD2#         )
3.039     1.154     3.264     weight    1.000    peak      263       spectrum  5          !vol=5.26E+07  ppm1      8.330     ppm2      0.734     CV        1

assign      {         264       }
(        segid "   B"         and       resid     25        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
3.175     1.260     2.634     weight    1.000    peak      264       spectrum  5          !vol=4.04E+07  ppm1      8.337     ppm2      0.826     CV        1

assign      {         266       }
(        segid "   B"         and       resid     27        and       name      HN           )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.751     0.946     1.397     weight    1.000    peak      266       spectrum  5          !vol=9.56E+07  ppm1      8.550     ppm2      1.978     CV        1

assign      {         267       }
(        segid "   B"         and       resid     27        and       name      HN           )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.471     1.506     2.082     weight    1.000    peak      267       spectrum  5          !vol=2.37E+07  ppm1      8.547     ppm2      2.477     CV        1

assign      {         268       }
(        segid "   B"         and       resid     27        and       name      HN           )
(        segid "   D"         and       resid     31        and       name      HG1#         )
3.373     1.422     3.040     weight    1.000    peak      268       spectrum  5          !vol=2.81E+07  ppm1      8.537     ppm2      0.970     CV        1

assign      {         269       }
(        segid "   B"         and       resid     27        and       name      HN           )
(        segid "   D"         and       resid     36        and       name      HG2#         )
3.426     1.467     2.570     weight    1.000    peak      269       spectrum  5          !vol=2.56E+07  ppm1      8.555     ppm2      0.902     CV        1

assign      {         271       }
(        segid "   B"         and       resid     28        and       name      HN           )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.695     0.908     2.512     weight    1.000    peak      271       spectrum  5          !vol=1.08E+08  ppm1      7.599     ppm2      1.978     CV        1


assign      {         279       }
(        segid "   B"         and       resid     30        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD2#         )
3.394     1.440     3.110     weight    1.000    peak      279       spectrum  5          !vol=2.71E+07  ppm1      7.916     ppm2      0.873     CV        1

assign      {         280       }
(        segid "   B"         and       resid     30        and       name      HN           )
(        segid "   D"         and       resid     31        and       name      HG1#         )
3.107     1.207     2.508     weight    1.000    peak      280       spectrum  5          !vol=4.60E+07  ppm1      7.933     ppm2      0.967     CV        1

assign      {         281       }
(        segid "   B"         and       resid     30        and       name      HN           )
(        segid "   D"         and       resid     35        and       name      HD1#         )
3.035     1.151     3.224     weight    1.000    peak      281       spectrum  5          !vol=5.30E+07  ppm1      7.930     ppm2      1.030     CV        1

assign      {         282       }
(        segid "   B"         and       resid     30        and       name      HN           )
(        segid "   D"         and       resid     35        and       name      HD2#         )
3.189     1.271     2.050     weight    1.000    peak      282       spectrum  5          !vol=3.94E+07  ppm1      7.926     ppm2      0.933     CV        1

assign      {         284       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.415     1.458     2.580     weight    1.000    peak      284       spectrum  5          !vol=2.61E+07  ppm1      7.229     ppm2      0.608     CV        1

assign      {         285       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.136     1.230     3.110     weight    1.000    peak      285       spectrum  5          !vol=4.35E+07  ppm1      7.232     ppm2      0.471     CV        1

assign      {         287       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD2#         )
3.415     1.458     2.580     weight    1.000    peak      287       spectrum  5          !vol=2.61E+07  ppm1      7.233     ppm2      0.870     CV        1

assign      {         288       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     31        and       name      HB           )
3.413     1.456     2.878     weight    1.000    peak      288       spectrum  5          !vol=2.62E+07  ppm1      7.234     ppm2      1.944     CV        1

assign      {         289       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     35        and       name      HD2#         )
3.326     1.383     2.379     weight    1.000    peak      289       spectrum  5          !vol=3.06E+07  ppm1      7.224     ppm2      0.932     CV        1

assign      {         291       }
(        segid "   B"         and       resid     35        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.331     1.387     2.719     weight    1.000    peak      291       spectrum  5          !vol=3.03E+07  ppm1      7.333     ppm2      0.466     CV        1

assign      {         292       }
(        segid "   B"         and       resid     35        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.116     1.214     1.730     weight    1.000    peak      292       spectrum  5          !vol=4.52E+07  ppm1      7.336     ppm2      0.925     CV        1

assign      {         293       }
(        segid "   B"         and       resid     35        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD2#         )
3.463     1.499     2.666     weight    1.000    peak      293       spectrum  5          !vol=2.40E+07  ppm1      7.326     ppm2      0.872     CV        1

assign      {         295       }
(        segid "   B"         and       resid     36        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.322     1.380     2.620     weight    1.000    peak      295       spectrum  5          !vol=3.08E+07  ppm1      7.523     ppm2      0.609     CV        1

assign      {         296       }
(        segid "   B"         and       resid     36        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.070     1.178     1.322     weight    1.000    peak      296       spectrum  5          !vol=4.95E+07  ppm1      7.519     ppm2      0.471     CV        1

assign      {         297       }
(        segid "   B"         and       resid     36        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.312     1.371     1.371     weight    1.000    peak      297       spectrum  5          !vol=3.14E+07  ppm1      7.515     ppm2      0.923     CV        1

assign      {         299       }
(        segid "   B"         and       resid     37        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.428     1.469     1.709     weight    1.000    peak      299       spectrum  5          !vol=2.55E+07  ppm1      8.668     ppm2      0.470     CV        1

assign      {         300       }
(        segid "   B"         and       resid     38        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.360     1.411     2.182     weight    1.000    peak      300       spectrum  5          !vol=2.88E+07  ppm1      7.874     ppm2      0.469     CV        1

assign      {         301       }
(        segid "   B"         and       resid     38        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.333     1.389     2.292     weight    1.000    peak      301       spectrum  5          !vol=3.02E+07  ppm1      7.903     ppm2      0.922     CV        1

assign      {         302       }
(        segid "   B"         and       resid     39        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.248     1.318     2.606     weight    1.000    peak      302       spectrum  5          !vol=3.53E+07  ppm1      8.014     ppm2      0.608     CV        1

assign      {         303       }
(        segid "   B"         and       resid     39        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.700     0.911     1.176     weight    1.000    peak      303       spectrum  5          !vol=1.07E+08  ppm1      8.015     ppm2      0.470     CV        1

assign      {         304       }
(        segid "   B"         and       resid     39        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.083     1.188     1.984     weight    1.000    peak      304       spectrum  5          !vol=4.82E+07  ppm1      8.016     ppm2      0.922     CV        1

assign      {         305       }
(        segid "   B"         and       resid     40        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD1#         )
3.620     1.638     1.638     weight    1.000    peak      305       spectrum  5          !vol=1.84E+07  ppm1      8.748     ppm2      0.617     CV        1

assign      {         306       }
(        segid "   B"         and       resid     40        and       name      HN           )
(        segid "   D"         and       resid     27        and       name      HD2#         )
3.178     1.262     1.262     weight    1.000    peak      306       spectrum  5          !vol=4.02E+07  ppm1      8.751     ppm2      0.471     CV        1

assign      {         307       }
(        segid "   B"         and       resid     40        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD1#         )
3.498     1.530     1.530     weight    1.000    peak      307       spectrum  5          !vol=2.26E+07  ppm1      8.748     ppm2      0.920     CV        1

assign      {         310       }
(        segid "   B"         and       resid     14        and       name      HD22         )
(        segid "   A"         and       resid     25        and       name      HD1#         )
3.278     1.343     1.343     weight    1.000    peak      310       spectrum  5          !vol=3.34E+07  ppm1      6.755     ppm2      0.648     CV        1

assign      {         311       }
(        segid "   B"         and       resid     14        and       name      HD22         )
(        segid "   A"         and       resid     26        and       name      HA           )
3.373     1.422     1.585     weight    1.000    peak      311       spectrum  5          !vol=2.81E+07  ppm1      6.764     ppm2      4.091     CV        1

assign      {         312       }
(        segid "   B"         and       resid     43        and       name      HE21         )
(        segid "   D"         and       resid     19        and       name      HE#          )
3.331     1.387     1.387     weight    1.000    peak      312       spectrum  5          !vol=3.03E+07  ppm1      6.726     ppm2      2.018     CV        1

assign      {         313       }
(        segid "   B"         and       resid     43        and       name      HE22         )
(        segid "   D"         and       resid     19        and       name      HE#          )
3.189     1.271     1.271     weight    1.000    peak      313       spectrum  5          !vol=3.94E+07  ppm1      7.056     ppm2      2.020     CV        1

assign      {         314       }
(        segid "   B"         and       resid     44        and       name      HE22         )
(        segid "   D"         and       resid     19        and       name      HE#          )
3.245     1.316     1.316     weight    1.000    peak      314       spectrum  5          !vol=3.55E+07  ppm1      6.815     ppm2      2.017     CV        1

assign      {         315       }
(        segid "   B"         and       resid     47        and       name      HE22         )
(        segid "   D"         and       resid     22        and       name      HG2          )
3.344     1.398     2.788     weight    1.000    peak      315       spectrum  5          !vol=2.96E+07  ppm1      6.903     ppm2      1.591     CV        1

assign      {         400       }
(        segid "   B"         and       resid     4         and       name      HB#          )
(        segid "   A"         and       resid     8         and       name      HG#          )
3.046     1.160     1.160     weight    1.000    peak      400       spectrum  5          !vol=1.55E+06  ppm1      3.721     ppm2      2.008     CV        1

assign      {         401       }
(        segid "   B"         and       resid     7         and       name      HB2          )
(        segid "   A"         and       resid     9         and       name      HG2#         )
2.740     0.938     3.210     weight    1.000    peak      401       spectrum  5          !vol=2.93E+06  ppm1      1.886     ppm2      0.989     CV        1

assign      {         402       }
(        segid "   B"         and       resid     7         and       name      HD1#         )
(        segid "   A"         and       resid     19        and       name      HB2          )
3.043     1.158     1.158     weight    1.000    peak      402       spectrum  5          !vol=1.56E+06  ppm1      0.841     ppm2      1.692     CV        1

assign      {         403       }
(        segid "   B"         and       resid     7         and       name      HD1#         )
(        segid "   A"         and       resid     19        and       name      HE#          )
2.212     0.611     0.611     weight    1.000    peak      403       spectrum  5          !vol=1.06E+07  ppm1      0.835     ppm2      2.021     CV        1

assign      {         404       }
(        segid "   B"         and       resid     14        and       name      HA           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
2.852     1.016     1.016     weight    1.000    peak      404       spectrum  5          !vol=2.30E+06  ppm1      4.417     ppm2      0.650     CV        1

assign      {         405       }
(        segid "   B"         and       resid     14        and       name      HA           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
3.165     1.252     1.252     weight    1.000    peak      405       spectrum  5          !vol=1.23E+06  ppm1      4.418     ppm2      0.830     CV        1

assign      {         406       }
(        segid "   B"         and       resid     15        and       name      HA           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.078     1.184     1.184     weight    1.000    peak      406       spectrum  5          !vol=1.46E+06  ppm1      3.912     ppm2      0.845     CV        1

assign      {         419       }
(        segid "   B"         and       resid     22        and       name      HA           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
3.351     1.404     1.404     weight    1.000    peak      419       spectrum  5          !vol=8.75E+05  ppm1      3.746     ppm2      0.941     CV        1

assign      {         420       }
(        segid "   B"         and       resid     22        and       name      HA           )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.065     1.174     1.174     weight    1.000    peak      420       spectrum  5          !vol=1.49E+06  ppm1      3.756     ppm2      0.989     CV        1

assign      {         421       }
(        segid "   B"         and       resid     22        and       name      HE1          )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.048     1.161     1.161     weight    1.000    peak      421       spectrum  5          !vol=1.54E+06  ppm1      3.106     ppm2      0.845     CV        1

assign      {         422       }
(        segid "   B"         and       resid     22        and       name      HE1          )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.271     1.338     2.710     weight    1.000    peak      422       spectrum  5          !vol=1.01E+06  ppm1      3.103     ppm2      0.786     CV        1

assign      {         423       }
(        segid "   B"         and       resid     23        and       name      HG2          )
(        segid "   D"         and       resid     28        and       name      HE#          )
2.683     0.900     2.279     weight    1.000    peak      423       spectrum  5          !vol=3.32E+06  ppm1      2.467     ppm2      1.978     CV        1

assign      {         424       }
(        segid "   B"         and       resid     25        and       name      HD1#         )
(        segid "   A"         and       resid     14        and       name      HA           )
3.140     1.232     1.232     weight    1.000    peak      424       spectrum  5          !vol=1.29E+06  ppm1      0.656     ppm2      4.414     CV        1

assign      {         425       }
(        segid "   B"         and       resid     25        and       name      HD2#         )
(        segid "   D"         and       resid     21        and       name      HB1          )
3.036     1.152     1.385     weight    1.000    peak      425       spectrum  5          !vol=1.58E+06  ppm1      0.821     ppm2      1.134     CV        1

assign      {         426       }
(        segid "   B"         and       resid     25        and       name      HD2#         )
(        segid "   D"         and       resid     24        and       name      HA           )
3.439     1.478     1.478     weight    1.000    peak      426       spectrum  5          !vol=7.49E+05  ppm1      0.833     ppm2      4.133     CV        1

assign      {         427       }
(        segid "   B"         and       resid     25        and       name      HD2#         )
(        segid "   D"         and       resid     24        and       name      HB2          )
3.190     1.272     1.272     weight    1.000    peak      427       spectrum  5          !vol=1.18E+06  ppm1      0.836     ppm2      3.886     CV        1

assign      {         428       }
(        segid "   B"         and       resid     25        and       name      HD2#         )
(        segid "   D"         and       resid     24        and       name      HB1          )
3.239     1.312     1.312     weight    1.000    peak      428       spectrum  5          !vol=1.07E+06  ppm1      0.834     ppm2      3.732     CV        1

assign      {         429       }
(        segid "   B"         and       resid     26        and       name      HA           )
(        segid "   A"         and       resid     9         and       name      HG1#         )
3.654     1.669     2.350     weight    1.000    peak      429       spectrum  5          !vol=5.21E+05  ppm1      4.083     ppm2      0.946     CV        1

assign      {         430       }
(        segid "   B"         and       resid     26        and       name      HA           )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.266     1.333     3.023     weight    1.000    peak      430       spectrum  5          !vol=1.02E+06  ppm1      4.082     ppm2      0.989     CV        1

assign      {         431       }
(        segid "   B"         and       resid     26        and       name      HG2          )
(        segid "   A"         and       resid     9         and       name      HG2#         )
3.443     1.481     1.683     weight    1.000    peak      431       spectrum  5          !vol=7.44E+05  ppm1      2.872     ppm2      0.986     CV        1

assign      {         432       }
(        segid "   B"         and       resid     27        and       name      HD2#         )
(        segid "   D"         and       resid     39        and       name      HA           )
3.499     1.530     1.530     weight    1.000    peak      432       spectrum  5          !vol=6.75E+05  ppm1      0.478     ppm2      4.217     CV        1

assign      {         433       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HG2          )
3.387     1.434     1.434     weight    1.000    peak      433       spectrum  5          !vol=8.21E+05  ppm1      1.980     ppm2      2.457     CV        1

assign      {         434       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     23        and       name      HG1          )
3.299     1.361     1.361     weight    1.000    peak      434       spectrum  5          !vol=9.60E+05  ppm1      1.978     ppm2      2.198     CV        1

assign      {         435       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     24        and       name      HA           )
3.474     1.508     1.508     weight    1.000    peak      435       spectrum  5          !vol=7.05E+05  ppm1      1.981     ppm2      4.137     CV        1

assign      {         436       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     24        and       name      HB1          )
3.736     1.744     1.744     weight    1.000    peak      436       spectrum  5          !vol=4.56E+05  ppm1      1.979     ppm2      3.724     CV        1

assign      {         437       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     27        and       name      HD1#         )
2.423     0.734     0.734     weight    1.000    peak      437       spectrum  5          !vol=6.12E+06  ppm1      1.978     ppm2      0.612     CV        1

assign      {         438       }
(        segid "   B"         and       resid     28        and       name      HE#          )
(        segid "   D"         and       resid     27        and       name      HD2#         )
2.828     1.000     1.485     weight    1.000    peak      438       spectrum  5          !vol=2.42E+06  ppm1      1.970     ppm2      0.473     CV        1

assign      {         439       }
(        segid "   B"         and       resid     30        and       name      HD2#         )
(        segid "   D"         and       resid     28        and       name      HG2          )
3.635     1.652     2.506     weight    1.000    peak      439       spectrum  5          !vol=5.37E+05  ppm1      0.873     ppm2      2.697     CV        1

assign      {         440       }
(        segid "   B"         and       resid     30        and       name      HD2#         )
(        segid "   D"         and       resid     28        and       name      HG1          )
3.627     1.644     2.370     weight    1.000    peak      440       spectrum  5          !vol=5.45E+05  ppm1      0.877     ppm2      2.474     CV        1

assign      {         502       }
(        segid "   B"         and       resid     7         and       name      HN           )
(        segid "   A"         and       resid     19        and       name      HE#          )
3.268     1.335     3.230     weight    1.000    peak      502       spectrum  5          !vol=3.40E+07  ppm1      9.225     ppm2      2.018     CV        1

assign      {         503       }
(        segid "   B"         and       resid     8         and       name      HE21         )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.449     0.750     0.913     weight    1.000    peak      503       spectrum  5          !vol=1.92E+08  ppm1      7.299     ppm2      0.851     CV        1

assign      {         504       }
(        segid "   B"         and       resid     8         and       name      HE21         )
(        segid "   C"         and       resid     46        and       name      HD1#         )
3.206     1.285     1.285     weight    1.000    peak      504       spectrum  5          !vol=3.81E+07  ppm1      7.307     ppm2      0.888     CV        1

assign      {         505       }
(        segid "   B"         and       resid     8         and       name      HE21         )
(        segid "   C"         and       resid     48        and       name      HA           )
2.869     1.029     3.249     weight    1.000    peak      505       spectrum  5          !vol=7.43E+07  ppm1      7.263     ppm2      4.173     CV        1

assign      {         506       }
(        segid "   B"         and       resid     8         and       name      HE22         )
(        segid "   A"         and       resid     4         and       name      HG#          )
2.437     0.743     0.743     weight    1.000    peak      506       spectrum  5          !vol=1.98E+08  ppm1      6.792     ppm2      0.851     CV        1

assign      {         508       }
(        segid "   B"         and       resid     8         and       name      HE22         )
(        segid "   C"         and       resid     45        and       name      HD2#         )
2.833     1.003     1.275     weight    1.000    peak      508       spectrum  5          !vol=8.01E+07  ppm1      6.812     ppm2      0.889     CV        1

assign      {         509       }
(        segid "   B"         and       resid     8         and       name      HE22         )
(        segid "   C"         and       resid     46        and       name      HD1#         )
2.863     1.024     1.161     weight    1.000    peak      509       spectrum  5          !vol=7.52E+07  ppm1      6.801     ppm2      0.886     CV        1

assign      {         510       }
(        segid "   B"         and       resid     8         and       name      HE22         )
(        segid "   C"         and       resid     46        and       name      HD2#         )
2.743     0.940     1.064     weight    1.000    peak      510       spectrum  5          !vol=9.73E+07  ppm1      6.780     ppm2      0.850     CV        1


assign      {         512       }
(        segid "   B"         and       resid     9         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.332     1.387     2.371     weight    1.000    peak      512       spectrum  5          !vol=3.03E+07  ppm1      9.146     ppm2      0.842     CV        1

assign      {         513       }
(        segid "   B"         and       resid     9         and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.264     1.332     1.332     weight    1.000    peak      513       spectrum  5          !vol=3.42E+07  ppm1      9.136     ppm2      0.779     CV        1

assign      {         514       }
(        segid "   B"         and       resid     10        and       name      HN           )
(        segid "   A"         and       resid     7         and       name      HD2#         )
3.391     1.438     3.011     weight    1.000    peak      514       spectrum  5          !vol=2.72E+07  ppm1      9.294     ppm2      0.772     CV        1

assign      {         515       }
(        segid "   B"         and       resid     14        and       name      HD21         )
(        segid "   A"         and       resid     25        and       name      HD2#         )
3.389     1.436     1.436     weight    1.000    peak      515       spectrum  5          !vol=2.73E+07  ppm1      8.015     ppm2      0.829     CV        1

assign      {         516       }
(        segid "   B"         and       resid     14        and       name      HD21         )
(        segid "   A"         and       resid     26        and       name      HA           )
3.366     1.416     1.416     weight    1.000    peak      516       spectrum  5          !vol=2.85E+07  ppm1      8.024     ppm2      4.074     CV        1


assign      {         518       }
(        segid "   B"         and       resid     19        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD1#         )
3.441     1.480     2.098     weight    1.000    peak      518       spectrum  5          !vol=2.49E+07  ppm1      8.683     ppm2      0.641     CV        1

assign      {         519       }
(        segid "   B"         and       resid     25        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD1#         )
3.330     1.386     2.670     weight    1.000    peak      519       spectrum  5          !vol=3.04E+07  ppm1      8.338     ppm2      0.723     CV        1

assign      {         520       }
(        segid "   B"         and       resid     25        and       name      HN           )
(        segid "   A"         and       resid     18        and       name      HD2#         )
3.115     1.213     2.158     weight    1.000    peak      520       spectrum  5          !vol=4.53E+07  ppm1      8.330     ppm2      0.707     CV        1

assign      {         522       }
(        segid "   B"         and       resid     31        and       name      HN           )
(        segid "   D"         and       resid     35        and       name      HD1#         )
3.318     1.376     3.180     weight    1.000    peak      522       spectrum  5          !vol=3.11E+07  ppm1      7.230     ppm2      1.027     CV        1

assign      {         524       }
(        segid "   B"         and       resid     39        and       name      HN           )
(        segid "   D"         and       resid     30        and       name      HD2#         )
3.431     1.472     2.570     weight    1.000    peak      524       spectrum  5          !vol=2.54E+07  ppm1      8.017     ppm2      0.868     CV        1

assign      {         526       }
(        segid "   B"         and       resid     47        and       name      HE21         )
(        segid "   D"         and       resid     19        and       name      HE#          )
2.957     1.093     1.199     weight    1.000    peak      526       spectrum  5          !vol=6.20E+07  ppm1      7.571     ppm2      2.017     CV        1

assign      {         527       }
(        segid "   B"         and       resid     47        and       name      HE22         )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.333     1.388     1.388     weight    1.000    peak      527       spectrum  5          !vol=3.02E+07  ppm1      6.908     ppm2      0.835     CV        1

assign      {         528       }
(        segid "   B"         and       resid     47        and       name      HN           )
(        segid "   D"         and       resid     19        and       name      HE#          )
2.672     0.892     2.976     weight    1.000    peak      528       spectrum  5          !vol=1.14E+08  ppm1      7.927     ppm2      2.016     CV        1













assign      {         1         }
(        segid "   C"         and       resid     3         and       name      HA           )
(        segid "   D"         and       resid     12        and       name      HD#          )
3.518     1.547     2.974     weight    1.000    peak      1         spectrum  5          !vol=6.53E+05  ppm1      4.597     ppm2      3.096     CV        1

assign      {         2         }
(        segid "   C"         and       resid     4         and       name      HA           )
(        segid "   D"         and       resid     10        and       name      HB2          )
3.129     1.224     1.224     weight    1.000    peak      2         spectrum  5          !vol=1.32E+06  ppm1      4.636     ppm2      1.834     CV        1

assign      {         3         }
(        segid "   C"         and       resid     4         and       name      HA           )
(        segid "   D"         and       resid     10        and       name      HB1          )
3.188     1.270     1.270     weight    1.000    peak      3         spectrum  5          !vol=1.18E+06  ppm1      4.638     ppm2      1.719     CV        1

assign      {         4         }
(        segid "   C"         and       resid     4         and       name      HA           )
(        segid "   D"         and       resid     10        and       name      HD#          )
3.246     1.317     1.317     weight    1.000    peak      4         spectrum  5          !vol=1.06E+06  ppm1      4.629     ppm2      3.216     CV        1

assign      {         5         }
(        segid "   C"         and       resid     4         and       name      HA           )
(        segid "   D"         and       resid     10        and       name      HG2          )
2.977     1.108     1.108     weight    1.000    peak      5         spectrum  5          !vol=1.78E+06  ppm1      4.637     ppm2      1.608     CV        1

assign      {         6         }
(        segid "   C"         and       resid     4         and       name      HA           )
(        segid "   D"         and       resid     10        and       name      HG1          )
2.980     1.110     1.370     weight    1.000    peak      6         spectrum  5          !vol=1.77E+06  ppm1      4.636     ppm2      1.561     CV        1

assign      {         7         }
(        segid "   C"         and       resid     4         and       name      HB#          )
(        segid "   D"         and       resid     10        and       name      HA           )
3.416     1.458     1.458     weight    1.000    peak      7         spectrum  5          !vol=7.80E+05  ppm1      3.717     ppm2      4.876     CV        1

assign      {         8         }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     9         and       name      HB           )
3.390     1.436     1.436     weight    1.000    peak      8         spectrum  5          !vol=8.17E+05  ppm1      6.538     ppm2      1.863     CV        1

assign      {         9         }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     9         and       name      HG1#         )
2.682     0.899     1.010     weight    1.000    peak      9         spectrum  5          !vol=3.33E+06  ppm1      6.539     ppm2      0.943     CV        1

assign      {         10        }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     10        and       name      HA           )
3.315     1.374     1.374     weight    1.000    peak      10        spectrum  5          !vol=9.33E+05  ppm1      6.537     ppm2      4.875     CV        1

assign      {         11        }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     15        and       name      HA           )
3.674     1.687     1.803     weight    1.000    peak      11        spectrum  5          !vol=5.04E+05  ppm1      6.555     ppm2      3.907     CV        1

assign      {         12        }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     15        and       name      HB2          )
3.666     1.680     1.680     weight    1.000    peak      12        spectrum  5          !vol=5.10E+05  ppm1      6.531     ppm2      2.780     CV        1

assign      {         13        }
(        segid "   C"         and       resid     5         and       name      HD#          )
(        segid "   D"         and       resid     15        and       name      HB1          )
3.702     1.713     1.713     weight    1.000    peak      13        spectrum  5          !vol=4.81E+05  ppm1      6.538     ppm2      2.627     CV        1

assign      {         14        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HA           )
2.844     1.011     1.011     weight    1.000    peak      14        spectrum  5          !vol=2.34E+06  ppm1      6.503     ppm2      3.456     CV        1

assign      {         15        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HB2          )
3.301     1.362     1.362     weight    1.000    peak      15        spectrum  5          !vol=9.57E+05  ppm1      6.502     ppm2      2.028     CV        1

assign      {         16        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HB1          )
3.422     1.463     1.463     weight    1.000    peak      16        spectrum  5          !vol=7.72E+05  ppm1      6.498     ppm2      1.841     CV        1

assign      {         17        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HD#          )
2.682     0.899     0.899     weight    1.000    peak      17        spectrum  5          !vol=3.33E+06  ppm1      6.502     ppm2      3.096     CV        1

assign      {         18        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HG2          )
3.316     1.374     1.594     weight    1.000    peak      18        spectrum  5          !vol=9.32E+05  ppm1      6.503     ppm2      1.665     CV        1

assign      {         19        }
(        segid "   C"         and       resid     5         and       name      HE#          )
(        segid "   D"         and       resid     12        and       name      HG1          )
3.266     1.334     1.334     weight    1.000    peak      19        spectrum  5          !vol=1.02E+06  ppm1      6.503     ppm2      1.473     CV        1

assign      {         21        }
(        segid "   C"         and       resid     6         and       name      HA           )
(        segid "   D"         and       resid     8         and       name      HA           )
2.618     0.857     0.857     weight    1.000    peak      21        spectrum  5          !vol=3.85E+06  ppm1      5.360     ppm2      5.063     CV        1

assign      {         22        }
(        segid "   C"         and       resid     6         and       name      HA           )
(        segid "   D"         and       resid     8         and       name      HB2          )
3.462     1.498     1.849     weight    1.000    peak      22        spectrum  5          !vol=7.20E+05  ppm1      5.363     ppm2      1.896     CV        1

assign      {         23        }
(        segid "   C"         and       resid     6         and       name      HA           )
(        segid "   D"         and       resid     8         and       name      HB1          )
3.354     1.406     1.406     weight    1.000    peak      23        spectrum  5          !vol=8.70E+05  ppm1      5.361     ppm2      1.794     CV        1

assign      {         24        }
(        segid "   C"         and       resid     6         and       name      HA           )
(        segid "   D"         and       resid     8         and       name      HG#          )
3.145     1.236     1.236     weight    1.000    peak      24        spectrum  5          !vol=1.28E+06  ppm1      5.358     ppm2      2.010     CV        1

assign      {         25        }
(        segid "   C"         and       resid     6         and       name      HA           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
3.531     1.559     2.656     weight    1.000    peak      25        spectrum  5          !vol=6.39E+05  ppm1      5.358     ppm2      0.944     CV        1

assign      {         26        }
(        segid "   C"         and       resid     6         and       name      HD#          )
(        segid "   D"         and       resid     8         and       name      HA           )
3.188     1.270     1.270     weight    1.000    peak      26        spectrum  5          !vol=1.18E+06  ppm1      7.024     ppm2      5.061     CV        1

assign      {         27        }
(        segid "   C"         and       resid     6         and       name      HD#          )
(        segid "   D"         and       resid     8         and       name      HB2          )
3.240     1.313     1.313     weight    1.000    peak      27        spectrum  5          !vol=1.07E+06  ppm1      7.026     ppm2      1.892     CV        1

assign      {         28        }
(        segid "   C"         and       resid     6         and       name      HD#          )
(        segid "   D"         and       resid     8         and       name      HB1          )
3.197     1.278     1.278     weight    1.000    peak      28        spectrum  5          !vol=1.16E+06  ppm1      7.022     ppm2      1.800     CV        1

assign      {         29        }
(        segid "   C"         and       resid     6         and       name      HD#          )
(        segid "   D"         and       resid     8         and       name      HG#          )
2.901     1.052     1.052     weight    1.000    peak      29        spectrum  5          !vol=2.08E+06  ppm1      7.023     ppm2      2.010     CV        1

assign      {         30        }
(        segid "   C"         and       resid     6         and       name      HE#          )
(        segid "   D"         and       resid     8         and       name      HA           )
3.666     1.680     1.680     weight    1.000    peak      30        spectrum  5          !vol=5.10E+05  ppm1      6.690     ppm2      5.061     CV        1

assign      {         31        }
(        segid "   C"         and       resid     6         and       name      HE#          )
(        segid "   D"         and       resid     8         and       name      HB2          )
3.226     1.301     1.451     weight    1.000    peak      31        spectrum  5          !vol=1.10E+06  ppm1      6.686     ppm2      1.895     CV        1

assign      {         32        }
(        segid "   C"         and       resid     6         and       name      HE#          )
(        segid "   D"         and       resid     8         and       name      HB1          )
3.153     1.243     1.243     weight    1.000    peak      32        spectrum  5          !vol=1.26E+06  ppm1      6.688     ppm2      1.801     CV        1

assign      {         33        }
(        segid "   C"         and       resid     6         and       name      HE#          )
(        segid "   D"         and       resid     8         and       name      HG#          )
2.865     1.026     1.026     weight    1.000    peak      33        spectrum  5          !vol=2.24E+06  ppm1      6.690     ppm2      2.009     CV        1

assign      {         34        }
(        segid "   C"         and       resid     7         and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD#          )
3.374     1.423     1.794     weight    1.000    peak      34        spectrum  5          !vol=8.40E+05  ppm1      4.938     ppm2      0.841     CV        1

assign      {         35        }
(        segid "   C"         and       resid     7         and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.461     1.497     1.789     weight    1.000    peak      35        spectrum  5          !vol=7.21E+05  ppm1      4.936     ppm2      0.786     CV        1

assign      {         36        }
(        segid "   C"         and       resid     7         and       name      HA           )
(        segid "   D"         and       resid     19        and       name      HE#          )
2.880     1.037     1.037     weight    1.000    peak      36        spectrum  5          !vol=2.17E+06  ppm1      4.934     ppm2      2.021     CV        1

assign      {         37        }
(        segid "   C"         and       resid     7         and       name      HB2          )
(        segid "   D"         and       resid     6         and       name      HA           )
3.721     1.730     2.085     weight    1.000    peak      37        spectrum  5          !vol=4.67E+05  ppm1      1.885     ppm2      5.353     CV        1

assign      {         38        }
(        segid "   C"         and       resid     7         and       name      HB2          )
(        segid "   D"         and       resid     7         and       name      HB2          )
3.153     1.243     1.243     weight    1.000    peak      38        spectrum  5          !vol=1.26E+06  ppm1      1.884     ppm2      1.881     CV        1

assign      {         39        }
(        segid "   C"         and       resid     7         and       name      HB2          )
(        segid "   D"         and       resid     7         and       name      HB1          )
3.240     1.313     1.313     weight    1.000    peak      39        spectrum  5          !vol=1.07E+06  ppm1      1.878     ppm2      1.634     CV        1

assign      {         40        }
(        segid "   C"         and       resid     7         and       name      HB1          )
(        segid "   D"         and       resid     7         and       name      HD#          )
2.752     0.947     0.947     weight    1.000    peak      40        spectrum  5          !vol=2.85E+06  ppm1      1.634     ppm2      0.844     CV        1

assign      {         41        }
(        segid "   C"         and       resid     7         and       name      HB1          )
(        segid "   D"         and       resid     9         and       name      HG2#         )
2.806     0.984     1.869     weight    1.000    peak      41        spectrum  5          !vol=2.54E+06  ppm1      1.630     ppm2      0.989     CV        1

assign      {         42        }
(        segid "   C"         and       resid     8         and       name      HA           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.955     1.092     1.092     weight    1.000    peak      42        spectrum  5          !vol=1.86E+06  ppm1      5.064     ppm2      0.853     CV        1

assign      {         43        }
(        segid "   C"         and       resid     8         and       name      HA           )
(        segid "   D"         and       resid     6         and       name      HB2          )
3.665     1.679     1.679     weight    1.000    peak      43        spectrum  5          !vol=5.11E+05  ppm1      5.069     ppm2      2.951     CV        1

assign      {         44        }
(        segid "   C"         and       resid     8         and       name      HA           )
(        segid "   D"         and       resid     6         and       name      HB1          )
3.531     1.559     1.559     weight    1.000    peak      44        spectrum  5          !vol=6.39E+05  ppm1      5.061     ppm2      2.841     CV        1

assign      {         46        }
(        segid "   C"         and       resid     10        and       name      HA           )
(        segid "   D"         and       resid     3         and       name      HB#          )
3.765     1.772     1.772     weight    1.000    peak      46        spectrum  5          !vol=4.35E+05  ppm1      4.870     ppm2      2.611     CV        1

assign      {         47        }
(        segid "   C"         and       resid     10        and       name      HA           )
(        segid "   D"         and       resid     4         and       name      HA           )
2.326     0.676     0.676     weight    1.000    peak      47        spectrum  5          !vol=7.82E+06  ppm1      4.877     ppm2      4.633     CV        1

assign      {         48        }
(        segid "   C"         and       resid     10        and       name      HA           )
(        segid "   D"         and       resid     4         and       name      HB#          )
2.940     1.080     1.488     weight    1.000    peak      48        spectrum  5          !vol=1.92E+06  ppm1      4.875     ppm2      3.714     CV        1

assign      {         49        }
(        segid "   C"         and       resid     10        and       name      HA           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.503     0.783     0.783     weight    1.000    peak      49        spectrum  5          !vol=5.04E+06  ppm1      4.878     ppm2      0.850     CV        1

assign      {         50        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HA           )
3.745     1.753     1.753     weight    1.000    peak      50        spectrum  5          !vol=4.49E+05  ppm1      7.392     ppm2      4.931     CV        1

assign      {         51        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HB2          )
3.831     1.834     2.582     weight    1.000    peak      51        spectrum  5          !vol=3.92E+05  ppm1      7.390     ppm2      1.887     CV        1

assign      {         52        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HB1          )
3.798     1.803     1.803     weight    1.000    peak      52        spectrum  5          !vol=4.13E+05  ppm1      7.398     ppm2      1.639     CV        1

assign      {         53        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HD#          )
3.060     1.170     1.170     weight    1.000    peak      53        spectrum  5          !vol=1.51E+06  ppm1      7.394     ppm2      0.844     CV        1

assign      {         54        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.170     1.256     2.430     weight    1.000    peak      54        spectrum  5          !vol=1.22E+06  ppm1      7.392     ppm2      0.783     CV        1

assign      {         55        }
(        segid "   C"         and       resid     15        and       name      HZ           )
(        segid "   D"         and       resid     7         and       name      HG           )
3.804     1.809     2.152     weight    1.000    peak      55        spectrum  5          !vol=4.09E+05  ppm1      7.398     ppm2      1.760     CV        1

assign      {         58        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     2         and       name      HA           )
3.359     1.410     2.084     weight    1.000    peak      58        spectrum  5          !vol=8.63E+05  ppm1      6.671     ppm2      4.281     CV        1

assign      {         59        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HA           )
3.672     1.686     1.686     weight    1.000    peak      59        spectrum  5          !vol=5.05E+05  ppm1      6.678     ppm2      4.930     CV        1

assign      {         60        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HB2          )
3.494     1.526     1.801     weight    1.000    peak      60        spectrum  5          !vol=6.81E+05  ppm1      6.675     ppm2      1.879     CV        1

assign      {         61        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HB1          )
3.492     1.524     1.826     weight    1.000    peak      61        spectrum  5          !vol=6.83E+05  ppm1      6.672     ppm2      1.632     CV        1

assign      {         62        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HD#          )
2.694     0.907     0.907     weight    1.000    peak      62        spectrum  5          !vol=3.24E+06  ppm1      6.670     ppm2      0.845     CV        1

assign      {         63        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.662     0.886     0.886     weight    1.000    peak      63        spectrum  5          !vol=3.48E+06  ppm1      6.671     ppm2      0.786     CV        1

assign      {         64        }
(        segid "   C"         and       resid     15        and       name      HD#          )
(        segid "   D"         and       resid     7         and       name      HG           )
3.484     1.517     1.517     weight    1.000    peak      64        spectrum  5          !vol=6.93E+05  ppm1      6.671     ppm2      1.760     CV        1


assign      {         67        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HA           )
3.033     1.150     1.150     weight    1.000    peak      67        spectrum  5          !vol=1.59E+06  ppm1      7.261     ppm2      4.928     CV        1

assign      {         68        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HB2          )
3.033     1.150     1.283     weight    1.000    peak      68        spectrum  5          !vol=1.59E+06  ppm1      7.260     ppm2      1.883     CV        1

assign      {         69        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HB1          )
3.021     1.141     1.141     weight    1.000    peak      69        spectrum  5          !vol=1.63E+06  ppm1      7.259     ppm2      1.632     CV        1

assign      {         70        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HD#          )
2.601     0.846     0.846     weight    1.000    peak      70        spectrum  5          !vol=4.00E+06  ppm1      7.259     ppm2      0.845     CV        1

assign      {         71        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.572     0.827     0.827     weight    1.000    peak      71        spectrum  5          !vol=4.28E+06  ppm1      7.260     ppm2      0.786     CV        1

assign      {         72        }
(        segid "   C"         and       resid     15        and       name      HE#          )
(        segid "   D"         and       resid     7         and       name      HG           )
3.133     1.227     1.227     weight    1.000    peak      72        spectrum  5          !vol=1.31E+06  ppm1      7.259     ppm2      1.760     CV        1

assign      {         74        }
(        segid "   C"         and       resid     16        and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.578     1.601     1.991     weight    1.000    peak      74        spectrum  5          !vol=5.90E+05  ppm1      3.498     ppm2      0.790     CV        1

assign      {         85        }
(        segid "   C"         and       resid     19        and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD#          )
2.472     0.764     0.764     weight    1.000    peak      85        spectrum  5          !vol=5.43E+06  ppm1      4.076     ppm2      0.844     CV        1

assign      {         86        }
(        segid "   C"         and       resid     19        and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.581     0.833     0.833     weight    1.000    peak      86        spectrum  5          !vol=4.19E+06  ppm1      4.077     ppm2      0.786     CV        1

assign      {         87        }
(        segid "   C"         and       resid     19        and       name      HA           )
(        segid "   D"         and       resid     18        and       name      HD1#         )
3.540     1.566     1.920     weight    1.000    peak      87        spectrum  5          !vol=6.30E+05  ppm1      4.079     ppm2      0.733     CV        1

assign      {         99        }
(        segid "   C"         and       resid     22        and       name      HA           )
(        segid "   D"         and       resid     18        and       name      HD1#         )
2.791     0.974     0.974     weight    1.000    peak      99        spectrum  5          !vol=2.62E+06  ppm1      3.759     ppm2      0.729     CV        1

assign      {         100       }
(        segid "   C"         and       resid     22        and       name      HA           )
(        segid "   D"         and       resid     18        and       name      HG           )
3.705     1.716     1.716     weight    1.000    peak      100       spectrum  5          !vol=4.79E+05  ppm1      3.750     ppm2      1.801     CV        1

assign      {         101       }
(        segid "   C"         and       resid     22        and       name      HG1          )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.070     1.178     1.178     weight    1.000    peak      101       spectrum  5          !vol=1.48E+06  ppm1      1.422     ppm2      0.991     CV        1

assign      {         102       }
(        segid "   C"         and       resid     24        and       name      HA           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
2.971     1.104     1.618     weight    1.000    peak      102       spectrum  5          !vol=1.80E+06  ppm1      4.126     ppm2      0.829     CV        1

assign      {         103       }
(        segid "   C"         and       resid     24        and       name      HA           )
(        segid "   A"         and       resid     28        and       name      HB2          )
3.288     1.351     2.040     weight    1.000    peak      103       spectrum  5          !vol=9.81E+05  ppm1      4.137     ppm2      2.118     CV        1

assign      {         104       }
(        segid "   C"         and       resid     24        and       name      HA           )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.506     0.785     0.785     weight    1.000    peak      104       spectrum  5          !vol=5.00E+06  ppm1      4.130     ppm2      1.979     CV        1

assign      {         105       }
(        segid "   C"         and       resid     24        and       name      HA           )
(        segid "   A"         and       resid     28        and       name      HG2          )
3.137     1.230     1.444     weight    1.000    peak      105       spectrum  5          !vol=1.30E+06  ppm1      4.139     ppm2      2.697     CV        1

assign      {         106       }
(        segid "   C"         and       resid     24        and       name      HA           )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.106     1.206     1.206     weight    1.000    peak      106       spectrum  5          !vol=1.38E+06  ppm1      4.138     ppm2      2.474     CV        1

assign      {         107       }
(        segid "   C"         and       resid     24        and       name      HB2          )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.661     0.885     2.565     weight    1.000    peak      107       spectrum  5          !vol=3.49E+06  ppm1      3.906     ppm2      1.979     CV        1

assign      {         108       }
(        segid "   C"         and       resid     24        and       name      HB1          )
(        segid "   A"         and       resid     28        and       name      HE#          )
3.060     1.170     1.170     weight    1.000    peak      108       spectrum  5          !vol=1.51E+06  ppm1      3.735     ppm2      1.977     CV        1

assign      {         109       }
(        segid "   C"         and       resid     24        and       name      HB1          )
(        segid "   A"         and       resid     28        and       name      HG2          )
3.653     1.668     1.996     weight    1.000    peak      109       spectrum  5          !vol=5.21E+05  ppm1      3.730     ppm2      2.699     CV        1

assign      {         110       }
(        segid "   C"         and       resid     24        and       name      HB1          )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.631     1.648     1.648     weight    1.000    peak      110       spectrum  5          !vol=5.41E+05  ppm1      3.734     ppm2      2.476     CV        1


assign      {         112       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     28        and       name      HB2          )
3.442     1.481     2.416     weight    1.000    peak      112       spectrum  5          !vol=7.45E+05  ppm1      0.608     ppm2      2.133     CV        1

assign      {         113       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.060     0.531     1.204     weight    1.000    peak      113       spectrum  5          !vol=1.62E+07  ppm1      0.614     ppm2      1.979     CV        1

assign      {         114       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     28        and       name      HG2          )
3.158     1.246     1.246     weight    1.000    peak      114       spectrum  5          !vol=1.25E+06  ppm1      0.614     ppm2      2.696     CV        1

assign      {         115       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.009     1.132     1.132     weight    1.000    peak      115       spectrum  5          !vol=1.67E+06  ppm1      0.616     ppm2      2.473     CV        1

assign      {         116       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     31        and       name      HB           )
3.734     1.743     2.395     weight    1.000    peak      116       spectrum  5          !vol=4.57E+05  ppm1      0.609     ppm2      1.950     CV        1

assign      {         117       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     36        and       name      HA           )
3.251     1.321     1.321     weight    1.000    peak      117       spectrum  5          !vol=1.05E+06  ppm1      0.613     ppm2      3.542     CV        1

assign      {         118       }
(        segid "   C"         and       resid     27        and       name      HD1#         )
(        segid "   A"         and       resid     36        and       name      HG1#         )
2.629     0.864     0.864     weight    1.000    peak      118       spectrum  5          !vol=3.75E+06  ppm1      0.614     ppm2      0.912     CV        1


assign      {         120       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     31        and       name      HB           )
3.620     1.638     1.638     weight    1.000    peak      120       spectrum  5          !vol=5.51E+05  ppm1      0.482     ppm2      1.950     CV        1

assign      {         121       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     36        and       name      HA           )
3.037     1.153     1.153     weight    1.000    peak      121       spectrum  5          !vol=1.58E+06  ppm1      0.479     ppm2      3.540     CV        1

assign      {         122       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     36        and       name      HG1#         )
2.898     1.050     1.050     weight    1.000    peak      122       spectrum  5          !vol=2.09E+06  ppm1      0.479     ppm2      0.911     CV        1

assign      {         123       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     39        and       name      HB2          )
3.567     1.590     1.590     weight    1.000    peak      123       spectrum  5          !vol=6.02E+05  ppm1      0.478     ppm2      3.362     CV        1

assign      {         124       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     39        and       name      HB1          )
3.502     1.533     1.533     weight    1.000    peak      124       spectrum  5          !vol=6.72E+05  ppm1      0.484     ppm2      3.128     CV        1

assign      {         125       }
(        segid "   C"         and       resid     27        and       name      HG           )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.901     1.052     1.955     weight    1.000    peak      125       spectrum  5          !vol=2.08E+06  ppm1      1.101     ppm2      1.979     CV        1

assign      {         126       }
(        segid "   C"         and       resid     27        and       name      HG           )
(        segid "   A"         and       resid     28        and       name      HG2          )
3.877     1.879     2.120     weight    1.000    peak      126       spectrum  5          !vol=3.65E+05  ppm1      1.091     ppm2      2.688     CV        1

assign      {         127       }
(        segid "   C"         and       resid     27        and       name      HG           )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.873     1.875     2.130     weight    1.000    peak      127       spectrum  5          !vol=3.67E+05  ppm1      1.105     ppm2      2.471     CV        1

assign      {         128       }
(        segid "   C"         and       resid     28        and       name      HA           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.235     1.309     2.770     weight    1.000    peak      128       spectrum  5          !vol=1.08E+06  ppm1      3.934     ppm2      0.611     CV        1

assign      {         129       }
(        segid "   C"         and       resid     28        and       name      HA           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.206     1.285     2.790     weight    1.000    peak      129       spectrum  5          !vol=1.14E+06  ppm1      3.927     ppm2      0.474     CV        1

assign      {         130       }
(        segid "   C"         and       resid     28        and       name      HG2          )
(        segid "   A"         and       resid     24        and       name      HA           )
3.714     1.724     1.724     weight    1.000    peak      130       spectrum  5          !vol=4.72E+05  ppm1      2.696     ppm2      4.132     CV        1

assign      {         131       }
(        segid "   C"         and       resid     28        and       name      HG2          )
(        segid "   A"         and       resid     24        and       name      HB2          )
3.982     1.982     1.982     weight    1.000    peak      131       spectrum  5          !vol=3.11E+05  ppm1      2.700     ppm2      3.904     CV        1

assign      {         132       }
(        segid "   C"         and       resid     28        and       name      HG2          )
(        segid "   A"         and       resid     24        and       name      HB1          )
3.986     1.986     1.986     weight    1.000    peak      132       spectrum  5          !vol=3.09E+05  ppm1      2.697     ppm2      3.731     CV        1

assign      {         133       }
(        segid "   C"         and       resid     28        and       name      HG2          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.431     1.471     1.471     weight    1.000    peak      133       spectrum  5          !vol=7.60E+05  ppm1      2.701     ppm2      0.612     CV        1

assign      {         134       }
(        segid "   C"         and       resid     28        and       name      HG2          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.864     1.867     2.180     weight    1.000    peak      134       spectrum  5          !vol=3.72E+05  ppm1      2.695     ppm2      0.472     CV        1

assign      {         135       }
(        segid "   C"         and       resid     28        and       name      HG1          )
(        segid "   A"         and       resid     24        and       name      HA           )
3.921     1.922     1.922     weight    1.000    peak      135       spectrum  5          !vol=3.41E+05  ppm1      2.473     ppm2      4.125     CV        1

assign      {         136       }
(        segid "   C"         and       resid     28        and       name      HG1          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.141     1.233     1.233     weight    1.000    peak      136       spectrum  5          !vol=1.29E+06  ppm1      2.477     ppm2      0.612     CV        1

assign      {         137       }
(        segid "   C"         and       resid     28        and       name      HG1          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.573     1.596     1.596     weight    1.000    peak      137       spectrum  5          !vol=5.95E+05  ppm1      2.470     ppm2      0.475     CV        1


assign      {         139       }
(        segid "   C"         and       resid     31        and       name      HB           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
2.937     1.078     3.060     weight    1.000    peak      139       spectrum  5          !vol=1.93E+06  ppm1      1.940     ppm2      0.927     CV        1

assign      {         140       }
(        segid "   C"         and       resid     35        and       name      HB1          )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.145     1.236     1.236     weight    1.000    peak      140       spectrum  5          !vol=1.28E+06  ppm1      1.512     ppm2      0.927     CV        1

assign      {         141       }
(        segid "   C"         and       resid     36        and       name      HA           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.046     1.160     1.160     weight    1.000    peak      141       spectrum  5          !vol=1.55E+06  ppm1      3.543     ppm2      0.612     CV        1

assign      {         142       }
(        segid "   C"         and       resid     36        and       name      HA           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.697     0.909     0.909     weight    1.000    peak      142       spectrum  5          !vol=3.22E+06  ppm1      3.543     ppm2      0.474     CV        1

assign      {         143       }
(        segid "   C"         and       resid     36        and       name      HA           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.481     1.515     1.515     weight    1.000    peak      143       spectrum  5          !vol=6.96E+05  ppm1      3.541     ppm2      0.928     CV        1

assign      {         144       }
(        segid "   C"         and       resid     36        and       name      HG1#         )
(        segid "   A"         and       resid     27        and       name      HD1#         )
2.389     0.714     0.714     weight    1.000    peak      144       spectrum  5          !vol=6.66E+06  ppm1      0.910     ppm2      0.612     CV        1

assign      {         145       }
(        segid "   C"         and       resid     36        and       name      HG1#         )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.271     0.645     1.605     weight    1.000    peak      145       spectrum  5          !vol=9.03E+06  ppm1      0.914     ppm2      0.474     CV        1

assign      {         148       }
(        segid "   C"         and       resid     39        and       name      HA           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.060     1.170     1.301     weight    1.000    peak      148       spectrum  5          !vol=1.51E+06  ppm1      4.223     ppm2      0.473     CV        1

assign      {         149       }
(        segid "   C"         and       resid     39        and       name      HB2          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.333     1.388     1.388     weight    1.000    peak      149       spectrum  5          !vol=9.04E+05  ppm1      3.372     ppm2      0.473     CV        1

assign      {         150       }
(        segid "   C"         and       resid     39        and       name      HB2          )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.772     1.779     1.779     weight    1.000    peak      150       spectrum  5          !vol=4.30E+05  ppm1      3.367     ppm2      0.931     CV        1

assign      {         151       }
(        segid "   C"         and       resid     39        and       name      HB1          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.938     1.939     1.939     weight    1.000    peak      151       spectrum  5          !vol=3.32E+05  ppm1      3.128     ppm2      0.611     CV        1

assign      {         152       }
(        segid "   C"         and       resid     39        and       name      HB1          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.170     1.256     1.256     weight    1.000    peak      152       spectrum  5          !vol=1.22E+06  ppm1      3.135     ppm2      0.474     CV        1

assign      {         153       }
(        segid "   C"         and       resid     39        and       name      HB1          )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.558     1.582     1.582     weight    1.000    peak      153       spectrum  5          !vol=6.11E+05  ppm1      3.131     ppm2      0.929     CV        1

assign      {         154       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     23        and       name      HB2          )
3.775     1.781     1.781     weight    1.000    peak      154       spectrum  5          !vol=4.28E+05  ppm1      7.058     ppm2      2.283     CV        1

assign      {         155       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     23        and       name      HB1          )
3.946     1.947     1.947     weight    1.000    peak      155       spectrum  5          !vol=3.28E+05  ppm1      7.056     ppm2      2.107     CV        1

assign      {         156       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     23        and       name      HG2          )
3.584     1.605     1.605     weight    1.000    peak      156       spectrum  5          !vol=5.85E+05  ppm1      7.056     ppm2      2.468     CV        1

assign      {         157       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     23        and       name      HG1          )
3.731     1.740     1.861     weight    1.000    peak      157       spectrum  5          !vol=4.59E+05  ppm1      7.053     ppm2      2.197     CV        1

assign      {         158       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.018     1.138     1.138     weight    1.000    peak      158       spectrum  5          !vol=1.64E+06  ppm1      7.054     ppm2      0.611     CV        1

assign      {         159       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.609     0.851     0.851     weight    1.000    peak      159       spectrum  5          !vol=3.93E+06  ppm1      7.055     ppm2      0.475     CV        1

assign      {         160       }
(        segid "   C"         and       resid     39        and       name      HD#          )
(        segid "   A"         and       resid     30        and       name      HD1#         )
2.932     1.075     1.075     weight    1.000    peak      160       spectrum  5          !vol=1.95E+06  ppm1      7.056     ppm2      0.928     CV        1

assign      {         161       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HB2          )
2.961     1.096     1.096     weight    1.000    peak      161       spectrum  5          !vol=1.84E+06  ppm1      6.803     ppm2      2.266     CV        1

assign      {         162       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HB1          )
3.067     1.175     1.175     weight    1.000    peak      162       spectrum  5          !vol=1.49E+06  ppm1      6.803     ppm2      2.120     CV        1

assign      {         163       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HG2          )
2.985     1.114     1.114     weight    1.000    peak      163       spectrum  5          !vol=1.75E+06  ppm1      6.803     ppm2      2.464     CV        1

assign      {         164       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HG1          )
3.088     1.192     1.192     weight    1.000    peak      164       spectrum  5          !vol=1.43E+06  ppm1      6.803     ppm2      2.198     CV        1

assign      {         165       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     26        and       name      HA           )
3.361     1.412     2.513     weight    1.000    peak      165       spectrum  5          !vol=8.59E+05  ppm1      6.806     ppm2      4.082     CV        1

assign      {         166       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     26        and       name      HG2#         )
3.762     1.769     1.769     weight    1.000    peak      166       spectrum  5          !vol=4.37E+05  ppm1      6.801     ppm2      2.860     CV        1

assign      {         167       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     26        and       name      HG1          )
3.663     1.677     1.677     weight    1.000    peak      167       spectrum  5          !vol=5.13E+05  ppm1      6.798     ppm2      2.314     CV        1

assign      {         168       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.030     1.148     1.148     weight    1.000    peak      168       spectrum  5          !vol=1.60E+06  ppm1      6.804     ppm2      0.612     CV        1

assign      {         169       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.898     1.050     1.050     weight    1.000    peak      169       spectrum  5          !vol=2.09E+06  ppm1      6.803     ppm2      0.475     CV        1

assign      {         170       }
(        segid "   C"         and       resid     39        and       name      HE#          )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.355     1.407     2.643     weight    1.000    peak      170       spectrum  5          !vol=8.69E+05  ppm1      6.800     ppm2      0.931     CV        1

assign      {         200       }
(        segid "   C"         and       resid     5         and       name      HN           )
(        segid "   D"         and       resid     8         and       name      HG#          )
3.082     1.188     1.188     weight    1.000    peak      200       spectrum  5          !vol=4.83E+07  ppm1      8.879     ppm2      2.006     CV        1

assign      {         201       }
(        segid "   C"         and       resid     5         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HB           )
3.129     1.224     1.224     weight    1.000    peak      201       spectrum  5          !vol=4.41E+07  ppm1      8.881     ppm2      1.865     CV        1

assign      {         202       }
(        segid "   C"         and       resid     5         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
2.762     0.954     1.312     weight    1.000    peak      202       spectrum  5          !vol=9.33E+07  ppm1      8.887     ppm2      0.939     CV        1

assign      {         203       }
(        segid "   C"         and       resid     5         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.018     1.139     1.685     weight    1.000    peak      203       spectrum  5          !vol=5.48E+07  ppm1      8.896     ppm2      0.980     CV        1

assign      {         204       }
(        segid "   C"         and       resid     6         and       name      HN           )
(        segid "   D"         and       resid     8         and       name      HG#          )
3.471     1.506     1.506     weight    1.000    peak      204       spectrum  5          !vol=2.37E+07  ppm1      8.463     ppm2      2.003     CV        1

assign      {         205       }
(        segid "   C"         and       resid     6         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
2.932     1.074     3.570     weight    1.000    peak      205       spectrum  5          !vol=6.52E+07  ppm1      8.457     ppm2      0.939     CV        1

assign      {         206       }
(        segid "   C"         and       resid     6         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.371     1.421     3.084     weight    1.000    peak      206       spectrum  5          !vol=2.82E+07  ppm1      8.468     ppm2      0.983     CV        1

assign      {         207       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     6         and       name      HB2          )
3.644     1.659     1.659     weight    1.000    peak      207       spectrum  5          !vol=1.77E+07  ppm1      9.224     ppm2      2.959     CV        1

assign      {         208       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HB2          )
3.100     1.201     1.201     weight    1.000    peak      208       spectrum  5          !vol=4.67E+07  ppm1      9.231     ppm2      1.875     CV        1

assign      {         209       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HB1          )
3.313     1.372     1.372     weight    1.000    peak      209       spectrum  5          !vol=3.13E+07  ppm1      9.222     ppm2      1.623     CV        1

assign      {         210       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.064     1.174     2.810     weight    1.000    peak      210       spectrum  5          !vol=5.00E+07  ppm1      9.223     ppm2      0.840     CV        1

assign      {         211       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.044     1.158     1.736     weight    1.000    peak      211       spectrum  5          !vol=5.21E+07  ppm1      9.221     ppm2      0.779     CV        1

assign      {         212       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     8         and       name      HB2          )
3.426     1.467     2.756     weight    1.000    peak      212       spectrum  5          !vol=2.56E+07  ppm1      9.228     ppm2      1.895     CV        1

assign      {         213       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     8         and       name      HB1          )
3.388     1.435     1.970     weight    1.000    peak      213       spectrum  5          !vol=2.74E+07  ppm1      9.231     ppm2      1.813     CV        1

assign      {         214       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     8         and       name      HG#          )
3.121     1.218     2.015     weight    1.000    peak      214       spectrum  5          !vol=4.48E+07  ppm1      9.222     ppm2      2.012     CV        1

assign      {         215       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
3.390     1.436     2.904     weight    1.000    peak      215       spectrum  5          !vol=2.73E+07  ppm1      9.211     ppm2      0.946     CV        1

assign      {         216       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.165     1.252     2.626     weight    1.000    peak      216       spectrum  5          !vol=4.12E+07  ppm1      9.228     ppm2      0.983     CV        1

assign      {         217       }
(        segid "   C"         and       resid     8         and       name      HN           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.927     1.071     1.885     weight    1.000    peak      217       spectrum  5          !vol=6.58E+07  ppm1      8.651     ppm2      0.852     CV        1

assign      {         218       }
(        segid "   C"         and       resid     8         and       name      HN           )
(        segid "   D"         and       resid     19        and       name      HE#          )
2.708     0.917     1.454     weight    1.000    peak      218       spectrum  5          !vol=1.05E+08  ppm1      8.650     ppm2      2.019     CV        1

assign      {         219       }
(        segid "   C"         and       resid     8         and       name      HN           )
(        segid "   D"         and       resid     19        and       name      HG#          )
3.475     1.510     1.774     weight    1.000    peak      219       spectrum  5          !vol=2.35E+07  ppm1      8.652     ppm2      1.903     CV        1

assign      {         220       }
(        segid "   C"         and       resid     8         and       name      HN           )
(        segid "   D"         and       resid     22        and       name      HE1          )
3.317     1.375     1.375     weight    1.000    peak      220       spectrum  5          !vol=3.11E+07  ppm1      8.649     ppm2      3.094     CV        1

assign      {         221       }
(        segid "   C"         and       resid     9         and       name      HN           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.469     0.762     0.762     weight    1.000    peak      221       spectrum  5          !vol=1.83E+08  ppm1      9.141     ppm2      0.851     CV        1

assign      {         222       }
(        segid "   C"         and       resid     10        and       name      HN           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.940     1.081     1.081     weight    1.000    peak      222       spectrum  5          !vol=6.41E+07  ppm1      9.295     ppm2      0.851     CV        1

assign      {         223       }
(        segid "   C"         and       resid     11        and       name      HN           )
(        segid "   D"         and       resid     3         and       name      HB#          )
3.064     1.174     1.336     weight    1.000    peak      223       spectrum  5          !vol=5.00E+07  ppm1      8.792     ppm2      2.622     CV        1

assign      {         224       }
(        segid "   C"         and       resid     11        and       name      HN           )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.876     1.034     1.484     weight    1.000    peak      224       spectrum  5          !vol=7.32E+07  ppm1      8.790     ppm2      0.852     CV        1

assign      {         225       }
(        segid "   C"         and       resid     14        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
3.047     1.161     1.443     weight    1.000    peak      225       spectrum  5          !vol=5.17E+07  ppm1      7.831     ppm2      0.645     CV        1

assign      {         226       }
(        segid "   C"         and       resid     14        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
2.761     0.953     1.473     weight    1.000    peak      226       spectrum  5          !vol=9.35E+07  ppm1      7.841     ppm2      0.825     CV        1

assign      {         227       }
(        segid "   C"         and       resid     15        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.329     1.386     3.170     weight    1.000    peak      227       spectrum  5          !vol=3.04E+07  ppm1      8.043     ppm2      0.842     CV        1

assign      {         228       }
(        segid "   C"         and       resid     15        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.431     1.471     1.889     weight    1.000    peak      228       spectrum  5          !vol=2.54E+07  ppm1      8.086     ppm2      0.776     CV        1

assign      {         229       }
(        segid "   C"         and       resid     15        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
3.281     1.346     1.346     weight    1.000    peak      229       spectrum  5          !vol=3.32E+07  ppm1      8.044     ppm2      0.644     CV        1

assign      {         230       }
(        segid "   C"         and       resid     16        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.227     1.301     2.782     weight    1.000    peak      230       spectrum  5          !vol=3.67E+07  ppm1      8.439     ppm2      0.841     CV        1

assign      {         231       }
(        segid "   C"         and       resid     16        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.238     1.311     2.487     weight    1.000    peak      231       spectrum  5          !vol=3.59E+07  ppm1      8.437     ppm2      0.770     CV        1

assign      {         235       }
(        segid "   C"         and       resid     17        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
3.183     1.267     1.267     weight    1.000    peak      235       spectrum  5          !vol=3.98E+07  ppm1      7.645     ppm2      0.646     CV        1

assign      {         236       }
(        segid "   C"         and       resid     17        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
3.012     1.134     1.956     weight    1.000    peak      236       spectrum  5          !vol=5.55E+07  ppm1      7.646     ppm2      0.824     CV        1

assign      {         237       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
2.656     0.882     2.491     weight    1.000    peak      237       spectrum  5          !vol=1.18E+08  ppm1      7.929     ppm2      0.840     CV        1

assign      {         238       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.667     0.889     1.220     weight    1.000    peak      238       spectrum  5          !vol=1.15E+08  ppm1      7.928     ppm2      0.780     CV        1

assign      {         239       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     17        and       name      HD#          )
3.266     1.334     2.224     weight    1.000    peak      239       spectrum  5          !vol=3.41E+07  ppm1      7.921     ppm2      0.865     CV        1

assign      {         240       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   B"         and       resid     17        and       name      HG2#         )
3.252     1.322     2.010     weight    1.000    peak      240       spectrum  5          !vol=3.50E+07  ppm1      7.925     ppm2      0.843     CV        1


assign      {         242       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD2#         )
2.855     1.019     2.661     weight    1.000    peak      242       spectrum  5          !vol=7.65E+07  ppm1      7.930     ppm2      0.706     CV        1

assign      {         243       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     21        and       name      HD2#         )
3.409     1.452     1.822     weight    1.000    peak      243       spectrum  5          !vol=2.64E+07  ppm1      7.922     ppm2      0.735     CV        1

assign      {         244       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
2.917     1.064     1.064     weight    1.000    peak      244       spectrum  5          !vol=6.72E+07  ppm1      7.921     ppm2      0.643     CV        1

assign      {         245       }
(        segid "   C"         and       resid     18        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
3.306     1.366     2.032     weight    1.000    peak      245       spectrum  5          !vol=3.17E+07  ppm1      7.939     ppm2      0.823     CV        1

assign      {         246       }
(        segid "   C"         and       resid     19        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
2.497     0.779     0.980     weight    1.000    peak      246       spectrum  5          !vol=1.71E+08  ppm1      8.666     ppm2      0.839     CV        1

assign      {         247       }
(        segid "   C"         and       resid     19        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.575     0.829     0.829     weight    1.000    peak      247       spectrum  5          !vol=1.42E+08  ppm1      8.667     ppm2      0.779     CV        1

assign      {         248       }
(        segid "   C"         and       resid     19        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD2#         )
3.251     1.321     1.535     weight    1.000    peak      248       spectrum  5          !vol=3.51E+07  ppm1      8.669     ppm2      0.711     CV        1

assign      {         249       }
(        segid "   C"         and       resid     20        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.094     1.197     1.879     weight    1.000    peak      249       spectrum  5          !vol=4.72E+07  ppm1      7.347     ppm2      0.838     CV        1

assign      {         251       }
(        segid "   C"         and       resid     21        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.069     1.177     2.607     weight    1.000    peak      251       spectrum  5          !vol=4.96E+07  ppm1      7.652     ppm2      0.837     CV        1

assign      {         252       }
(        segid "   C"         and       resid     21        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.979     1.109     2.317     weight    1.000    peak      252       spectrum  5          !vol=5.93E+07  ppm1      7.654     ppm2      0.779     CV        1

assign      {         253       }
(        segid "   C"         and       resid     21        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD2#         )
2.791     0.973     1.860     weight    1.000    peak      253       spectrum  5          !vol=8.77E+07  ppm1      7.657     ppm2      0.705     CV        1

assign      {         256       }
(        segid "   C"         and       resid     22        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
2.737     0.936     1.925     weight    1.000    peak      256       spectrum  5          !vol=9.85E+07  ppm1      8.922     ppm2      0.840     CV        1

assign      {         257       }
(        segid "   C"         and       resid     22        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
2.872     1.031     1.524     weight    1.000    peak      257       spectrum  5          !vol=7.38E+07  ppm1      8.922     ppm2      0.778     CV        1

assign      {         258       }
(        segid "   C"         and       resid     22        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD1#         )
2.960     1.095     1.095     weight    1.000    peak      258       spectrum  5          !vol=6.16E+07  ppm1      8.925     ppm2      0.726     CV        1

assign      {         259       }
(        segid "   C"         and       resid     22        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD2#         )
2.721     0.926     0.926     weight    1.000    peak      259       spectrum  5          !vol=1.02E+08  ppm1      8.924     ppm2      0.705     CV        1


assign      {         261       }
(        segid "   C"         and       resid     24        and       name      HN           )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.581     0.833     2.779     weight    1.000    peak      261       spectrum  5          !vol=1.40E+08  ppm1      7.853     ppm2      1.979     CV        1

assign      {         262       }
(        segid "   C"         and       resid     24        and       name      HN           )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.278     1.343     2.841     weight    1.000    peak      262       spectrum  5          !vol=3.34E+07  ppm1      7.844     ppm2      2.479     CV        1

assign      {         263       }
(        segid "   C"         and       resid     25        and       name      HN           )
(        segid "   A"         and       resid     21        and       name      HD2#         )
3.039     1.154     3.264     weight    1.000    peak      263       spectrum  5          !vol=5.26E+07  ppm1      8.330     ppm2      0.734     CV        1

assign      {         264       }
(        segid "   C"         and       resid     25        and       name      HN           )
(        segid "   A"         and       resid     25        and       name      HD2#         )
3.175     1.260     2.634     weight    1.000    peak      264       spectrum  5          !vol=4.04E+07  ppm1      8.337     ppm2      0.826     CV        1

assign      {         266       }
(        segid "   C"         and       resid     27        and       name      HN           )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.751     0.946     1.397     weight    1.000    peak      266       spectrum  5          !vol=9.56E+07  ppm1      8.550     ppm2      1.978     CV        1

assign      {         267       }
(        segid "   C"         and       resid     27        and       name      HN           )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.471     1.506     2.082     weight    1.000    peak      267       spectrum  5          !vol=2.37E+07  ppm1      8.547     ppm2      2.477     CV        1

assign      {         268       }
(        segid "   C"         and       resid     27        and       name      HN           )
(        segid "   A"         and       resid     31        and       name      HG1#         )
3.373     1.422     3.040     weight    1.000    peak      268       spectrum  5          !vol=2.81E+07  ppm1      8.537     ppm2      0.970     CV        1

assign      {         269       }
(        segid "   C"         and       resid     27        and       name      HN           )
(        segid "   A"         and       resid     36        and       name      HG2#         )
3.426     1.467     2.570     weight    1.000    peak      269       spectrum  5          !vol=2.56E+07  ppm1      8.555     ppm2      0.902     CV        1

assign      {         271       }
(        segid "   C"         and       resid     28        and       name      HN           )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.695     0.908     2.512     weight    1.000    peak      271       spectrum  5          !vol=1.08E+08  ppm1      7.599     ppm2      1.978     CV        1


assign      {         279       }
(        segid "   C"         and       resid     30        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD2#         )
3.394     1.440     3.110     weight    1.000    peak      279       spectrum  5          !vol=2.71E+07  ppm1      7.916     ppm2      0.873     CV        1

assign      {         280       }
(        segid "   C"         and       resid     30        and       name      HN           )
(        segid "   A"         and       resid     31        and       name      HG1#         )
3.107     1.207     2.508     weight    1.000    peak      280       spectrum  5          !vol=4.60E+07  ppm1      7.933     ppm2      0.967     CV        1

assign      {         281       }
(        segid "   C"         and       resid     30        and       name      HN           )
(        segid "   A"         and       resid     35        and       name      HD1#         )
3.035     1.151     3.224     weight    1.000    peak      281       spectrum  5          !vol=5.30E+07  ppm1      7.930     ppm2      1.030     CV        1

assign      {         282       }
(        segid "   C"         and       resid     30        and       name      HN           )
(        segid "   A"         and       resid     35        and       name      HD2#         )
3.189     1.271     2.050     weight    1.000    peak      282       spectrum  5          !vol=3.94E+07  ppm1      7.926     ppm2      0.933     CV        1

assign      {         284       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.415     1.458     2.580     weight    1.000    peak      284       spectrum  5          !vol=2.61E+07  ppm1      7.229     ppm2      0.608     CV        1

assign      {         285       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.136     1.230     3.110     weight    1.000    peak      285       spectrum  5          !vol=4.35E+07  ppm1      7.232     ppm2      0.471     CV        1


assign      {         287       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD2#         )
3.415     1.458     2.580     weight    1.000    peak      287       spectrum  5          !vol=2.61E+07  ppm1      7.233     ppm2      0.870     CV        1

assign      {         288       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     31        and       name      HB           )
3.413     1.456     2.878     weight    1.000    peak      288       spectrum  5          !vol=2.62E+07  ppm1      7.234     ppm2      1.944     CV        1

assign      {         289       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     35        and       name      HD2#         )
3.326     1.383     2.379     weight    1.000    peak      289       spectrum  5          !vol=3.06E+07  ppm1      7.224     ppm2      0.932     CV        1

assign      {         291       }
(        segid "   C"         and       resid     35        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.331     1.387     2.719     weight    1.000    peak      291       spectrum  5          !vol=3.03E+07  ppm1      7.333     ppm2      0.466     CV        1

assign      {         292       }
(        segid "   C"         and       resid     35        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.116     1.214     1.730     weight    1.000    peak      292       spectrum  5          !vol=4.52E+07  ppm1      7.336     ppm2      0.925     CV        1

assign      {         293       }
(        segid "   C"         and       resid     35        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD2#         )
3.463     1.499     2.666     weight    1.000    peak      293       spectrum  5          !vol=2.40E+07  ppm1      7.326     ppm2      0.872     CV        1

assign      {         295       }
(        segid "   C"         and       resid     36        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.322     1.380     2.620     weight    1.000    peak      295       spectrum  5          !vol=3.08E+07  ppm1      7.523     ppm2      0.609     CV        1

assign      {         296       }
(        segid "   C"         and       resid     36        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.070     1.178     1.322     weight    1.000    peak      296       spectrum  5          !vol=4.95E+07  ppm1      7.519     ppm2      0.471     CV        1

assign      {         297       }
(        segid "   C"         and       resid     36        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.312     1.371     1.371     weight    1.000    peak      297       spectrum  5          !vol=3.14E+07  ppm1      7.515     ppm2      0.923     CV        1

assign      {         299       }
(        segid "   C"         and       resid     37        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.428     1.469     1.709     weight    1.000    peak      299       spectrum  5          !vol=2.55E+07  ppm1      8.668     ppm2      0.470     CV        1

assign      {         300       }
(        segid "   C"         and       resid     38        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.360     1.411     2.182     weight    1.000    peak      300       spectrum  5          !vol=2.88E+07  ppm1      7.874     ppm2      0.469     CV        1

assign      {         301       }
(        segid "   C"         and       resid     38        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.333     1.389     2.292     weight    1.000    peak      301       spectrum  5          !vol=3.02E+07  ppm1      7.903     ppm2      0.922     CV        1

assign      {         302       }
(        segid "   C"         and       resid     39        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.248     1.318     2.606     weight    1.000    peak      302       spectrum  5          !vol=3.53E+07  ppm1      8.014     ppm2      0.608     CV        1

assign      {         303       }
(        segid "   C"         and       resid     39        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.700     0.911     1.176     weight    1.000    peak      303       spectrum  5          !vol=1.07E+08  ppm1      8.015     ppm2      0.470     CV        1

assign      {         304       }
(        segid "   C"         and       resid     39        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.083     1.188     1.984     weight    1.000    peak      304       spectrum  5          !vol=4.82E+07  ppm1      8.016     ppm2      0.922     CV        1

assign      {         305       }
(        segid "   C"         and       resid     40        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD1#         )
3.620     1.638     1.638     weight    1.000    peak      305       spectrum  5          !vol=1.84E+07  ppm1      8.748     ppm2      0.617     CV        1

assign      {         306       }
(        segid "   C"         and       resid     40        and       name      HN           )
(        segid "   A"         and       resid     27        and       name      HD2#         )
3.178     1.262     1.262     weight    1.000    peak      306       spectrum  5          !vol=4.02E+07  ppm1      8.751     ppm2      0.471     CV        1

assign      {         307       }
(        segid "   C"         and       resid     40        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD1#         )
3.498     1.530     1.530     weight    1.000    peak      307       spectrum  5          !vol=2.26E+07  ppm1      8.748     ppm2      0.920     CV        1

assign      {         310       }
(        segid "   C"         and       resid     14        and       name      HD22         )
(        segid "   D"         and       resid     25        and       name      HD1#         )
3.278     1.343     1.343     weight    1.000    peak      310       spectrum  5          !vol=3.34E+07  ppm1      6.755     ppm2      0.648     CV        1

assign      {         311       }
(        segid "   C"         and       resid     14        and       name      HD22         )
(        segid "   D"         and       resid     26        and       name      HA           )
3.373     1.422     1.585     weight    1.000    peak      311       spectrum  5          !vol=2.81E+07  ppm1      6.764     ppm2      4.091     CV        1

assign      {         312       }
(        segid "   C"         and       resid     43        and       name      HE21         )
(        segid "   A"         and       resid     19        and       name      HE#          )
3.331     1.387     1.387     weight    1.000    peak      312       spectrum  5          !vol=3.03E+07  ppm1      6.726     ppm2      2.018     CV        1

assign      {         313       }
(        segid "   C"         and       resid     43        and       name      HE22         )
(        segid "   A"         and       resid     19        and       name      HE#          )
3.189     1.271     1.271     weight    1.000    peak      313       spectrum  5          !vol=3.94E+07  ppm1      7.056     ppm2      2.020     CV        1

assign      {         314       }
(        segid "   C"         and       resid     44        and       name      HE22         )
(        segid "   A"         and       resid     19        and       name      HE#          )
3.245     1.316     1.316     weight    1.000    peak      314       spectrum  5          !vol=3.55E+07  ppm1      6.815     ppm2      2.017     CV        1

assign      {         315       }
(        segid "   C"         and       resid     47        and       name      HE22         )
(        segid "   A"         and       resid     22        and       name      HG2          )
3.344     1.398     2.788     weight    1.000    peak      315       spectrum  5          !vol=2.96E+07  ppm1      6.903     ppm2      1.591     CV        1

assign      {         400       }
(        segid "   C"         and       resid     4         and       name      HB#          )
(        segid "   D"         and       resid     8         and       name      HG#          )
3.046     1.160     1.160     weight    1.000    peak      400       spectrum  5          !vol=1.55E+06  ppm1      3.721     ppm2      2.008     CV        1

assign      {         401       }
(        segid "   C"         and       resid     7         and       name      HB2          )
(        segid "   D"         and       resid     9         and       name      HG2#         )
2.740     0.938     3.210     weight    1.000    peak      401       spectrum  5          !vol=2.93E+06  ppm1      1.886     ppm2      0.989     CV        1

assign      {         402       }
(        segid "   C"         and       resid     7         and       name      HD1#         )
(        segid "   D"         and       resid     19        and       name      HB2          )
3.043     1.158     1.158     weight    1.000    peak      402       spectrum  5          !vol=1.56E+06  ppm1      0.841     ppm2      1.692     CV        1

assign      {         403       }
(        segid "   C"         and       resid     7         and       name      HD1#         )
(        segid "   D"         and       resid     19        and       name      HE#          )
2.212     0.611     0.611     weight    1.000    peak      403       spectrum  5          !vol=1.06E+07  ppm1      0.835     ppm2      2.021     CV        1

assign      {         404       }
(        segid "   C"         and       resid     14        and       name      HA           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
2.852     1.016     1.016     weight    1.000    peak      404       spectrum  5          !vol=2.30E+06  ppm1      4.417     ppm2      0.650     CV        1

assign      {         405       }
(        segid "   C"         and       resid     14        and       name      HA           )
(        segid "   D"         and       resid     25        and       name      HD2#         )
3.165     1.252     1.252     weight    1.000    peak      405       spectrum  5          !vol=1.23E+06  ppm1      4.418     ppm2      0.830     CV        1

assign      {         406       }
(        segid "   C"         and       resid     15        and       name      HA           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.078     1.184     1.184     weight    1.000    peak      406       spectrum  5          !vol=1.46E+06  ppm1      3.912     ppm2      0.845     CV        1

assign      {         419       }
(        segid "   C"         and       resid     22        and       name      HA           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
3.351     1.404     1.404     weight    1.000    peak      419       spectrum  5          !vol=8.75E+05  ppm1      3.746     ppm2      0.941     CV        1

assign      {         420       }
(        segid "   C"         and       resid     22        and       name      HA           )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.065     1.174     1.174     weight    1.000    peak      420       spectrum  5          !vol=1.49E+06  ppm1      3.756     ppm2      0.989     CV        1

assign      {         421       }
(        segid "   C"         and       resid     22        and       name      HE1          )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.048     1.161     1.161     weight    1.000    peak      421       spectrum  5          !vol=1.54E+06  ppm1      3.106     ppm2      0.845     CV        1

assign      {         422       }
(        segid "   C"         and       resid     22        and       name      HE1          )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.271     1.338     2.710     weight    1.000    peak      422       spectrum  5          !vol=1.01E+06  ppm1      3.103     ppm2      0.786     CV        1

assign      {         423       }
(        segid "   C"         and       resid     23        and       name      HG2          )
(        segid "   A"         and       resid     28        and       name      HE#          )
2.683     0.900     2.279     weight    1.000    peak      423       spectrum  5          !vol=3.32E+06  ppm1      2.467     ppm2      1.978     CV        1

assign      {         424       }
(        segid "   C"         and       resid     25        and       name      HD1#         )
(        segid "   D"         and       resid     14        and       name      HA           )
3.140     1.232     1.232     weight    1.000    peak      424       spectrum  5          !vol=1.29E+06  ppm1      0.656     ppm2      4.414     CV        1

assign      {         425       }
(        segid "   C"         and       resid     25        and       name      HD2#         )
(        segid "   A"         and       resid     21        and       name      HB1          )
3.036     1.152     1.385     weight    1.000    peak      425       spectrum  5          !vol=1.58E+06  ppm1      0.821     ppm2      1.134     CV        1

assign      {         426       }
(        segid "   C"         and       resid     25        and       name      HD2#         )
(        segid "   A"         and       resid     24        and       name      HA           )
3.439     1.478     1.478     weight    1.000    peak      426       spectrum  5          !vol=7.49E+05  ppm1      0.833     ppm2      4.133     CV        1

assign      {         427       }
(        segid "   C"         and       resid     25        and       name      HD2#         )
(        segid "   A"         and       resid     24        and       name      HB2          )
3.190     1.272     1.272     weight    1.000    peak      427       spectrum  5          !vol=1.18E+06  ppm1      0.836     ppm2      3.886     CV        1

assign      {         428       }
(        segid "   C"         and       resid     25        and       name      HD2#         )
(        segid "   A"         and       resid     24        and       name      HB1          )
3.239     1.312     1.312     weight    1.000    peak      428       spectrum  5          !vol=1.07E+06  ppm1      0.834     ppm2      3.732     CV        1

assign      {         429       }
(        segid "   C"         and       resid     26        and       name      HA           )
(        segid "   D"         and       resid     9         and       name      HG1#         )
3.654     1.669     2.350     weight    1.000    peak      429       spectrum  5          !vol=5.21E+05  ppm1      4.083     ppm2      0.946     CV        1

assign      {         430       }
(        segid "   C"         and       resid     26        and       name      HA           )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.266     1.333     3.023     weight    1.000    peak      430       spectrum  5          !vol=1.02E+06  ppm1      4.082     ppm2      0.989     CV        1

assign      {         431       }
(        segid "   C"         and       resid     26        and       name      HG2          )
(        segid "   D"         and       resid     9         and       name      HG2#         )
3.443     1.481     1.683     weight    1.000    peak      431       spectrum  5          !vol=7.44E+05  ppm1      2.872     ppm2      0.986     CV        1

assign      {         432       }
(        segid "   C"         and       resid     27        and       name      HD2#         )
(        segid "   A"         and       resid     39        and       name      HA           )
3.499     1.530     1.530     weight    1.000    peak      432       spectrum  5          !vol=6.75E+05  ppm1      0.478     ppm2      4.217     CV        1

assign      {         433       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HG2          )
3.387     1.434     1.434     weight    1.000    peak      433       spectrum  5          !vol=8.21E+05  ppm1      1.980     ppm2      2.457     CV        1

assign      {         434       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     23        and       name      HG1          )
3.299     1.361     1.361     weight    1.000    peak      434       spectrum  5          !vol=9.60E+05  ppm1      1.978     ppm2      2.198     CV        1

assign      {         435       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     24        and       name      HA           )
3.474     1.508     1.508     weight    1.000    peak      435       spectrum  5          !vol=7.05E+05  ppm1      1.981     ppm2      4.137     CV        1

assign      {         436       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     24        and       name      HB1          )
3.736     1.744     1.744     weight    1.000    peak      436       spectrum  5          !vol=4.56E+05  ppm1      1.979     ppm2      3.724     CV        1

assign      {         437       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     27        and       name      HD1#         )
2.423     0.734     0.734     weight    1.000    peak      437       spectrum  5          !vol=6.12E+06  ppm1      1.978     ppm2      0.612     CV        1

assign      {         438       }
(        segid "   C"         and       resid     28        and       name      HE#          )
(        segid "   A"         and       resid     27        and       name      HD2#         )
2.828     1.000     1.485     weight    1.000    peak      438       spectrum  5          !vol=2.42E+06  ppm1      1.970     ppm2      0.473     CV        1

assign      {         439       }
(        segid "   C"         and       resid     30        and       name      HD2#         )
(        segid "   A"         and       resid     28        and       name      HG2          )
3.635     1.652     2.506     weight    1.000    peak      439       spectrum  5          !vol=5.37E+05  ppm1      0.873     ppm2      2.697     CV        1

assign      {         440       }
(        segid "   C"         and       resid     30        and       name      HD2#         )
(        segid "   A"         and       resid     28        and       name      HG1          )
3.627     1.644     2.370     weight    1.000    peak      440       spectrum  5          !vol=5.45E+05  ppm1      0.877     ppm2      2.474     CV        1

assign      {         502       }
(        segid "   C"         and       resid     7         and       name      HN           )
(        segid "   D"         and       resid     19        and       name      HE#          )
3.268     1.335     3.230     weight    1.000    peak      502       spectrum  5          !vol=3.40E+07  ppm1      9.225     ppm2      2.018     CV        1

assign      {         503       }
(        segid "   C"         and       resid     8         and       name      HE21         )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.449     0.750     0.913     weight    1.000    peak      503       spectrum  5          !vol=1.92E+08  ppm1      7.299     ppm2      0.851     CV        1

assign      {         504       }
(        segid "   C"         and       resid     8         and       name      HE21         )
(        segid "   B"         and       resid     46        and       name      HD1#         )
3.206     1.285     1.285     weight    1.000    peak      504       spectrum  5          !vol=3.81E+07  ppm1      7.307     ppm2      0.888     CV        1

assign      {         505       }
(        segid "   C"         and       resid     8         and       name      HE21         )
(        segid "   B"         and       resid     48        and       name      HA           )
2.869     1.029     3.249     weight    1.000    peak      505       spectrum  5          !vol=7.43E+07  ppm1      7.263     ppm2      4.173     CV        1

assign      {         506       }
(        segid "   C"         and       resid     8         and       name      HE22         )
(        segid "   D"         and       resid     4         and       name      HG#          )
2.437     0.743     0.743     weight    1.000    peak      506       spectrum  5          !vol=1.98E+08  ppm1      6.792     ppm2      0.851     CV        1

assign      {         508       }
(        segid "   C"         and       resid     8         and       name      HE22         )
(        segid "   B"         and       resid     45        and       name      HD2#         )
2.833     1.003     1.275     weight    1.000    peak      508       spectrum  5          !vol=8.01E+07  ppm1      6.812     ppm2      0.889     CV        1

assign      {         509       }
(        segid "   C"         and       resid     8         and       name      HE22         )
(        segid "   B"         and       resid     46        and       name      HD1#         )
2.863     1.024     1.161     weight    1.000    peak      509       spectrum  5          !vol=7.52E+07  ppm1      6.801     ppm2      0.886     CV        1

assign      {         510       }
(        segid "   C"         and       resid     8         and       name      HE22         )
(        segid "   B"         and       resid     46        and       name      HD2#         )
2.743     0.940     1.064     weight    1.000    peak      510       spectrum  5          !vol=9.73E+07  ppm1      6.780     ppm2      0.850     CV        1


assign      {         512       }
(        segid "   C"         and       resid     9         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD1#         )
3.332     1.387     2.371     weight    1.000    peak      512       spectrum  5          !vol=3.03E+07  ppm1      9.146     ppm2      0.842     CV        1

assign      {         513       }
(        segid "   C"         and       resid     9         and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.264     1.332     1.332     weight    1.000    peak      513       spectrum  5          !vol=3.42E+07  ppm1      9.136     ppm2      0.779     CV        1

assign      {         514       }
(        segid "   C"         and       resid     10        and       name      HN           )
(        segid "   D"         and       resid     7         and       name      HD2#         )
3.391     1.438     3.011     weight    1.000    peak      514       spectrum  5          !vol=2.72E+07  ppm1      9.294     ppm2      0.772     CV        1

assign      {         515       }
(        segid "   C"         and       resid     14        and       name      HD21         )
(        segid "   D"         and       resid     25        and       name      HD2#         )
3.389     1.436     1.436     weight    1.000    peak      515       spectrum  5          !vol=2.73E+07  ppm1      8.015     ppm2      0.829     CV        1

assign      {         516       }
(        segid "   C"         and       resid     14        and       name      HD21         )
(        segid "   D"         and       resid     26        and       name      HA           )
3.366     1.416     1.416     weight    1.000    peak      516       spectrum  5          !vol=2.85E+07  ppm1      8.024     ppm2      4.074     CV        1


assign      {         518       }
(        segid "   C"         and       resid     19        and       name      HN           )
(        segid "   D"         and       resid     25        and       name      HD1#         )
3.441     1.480     2.098     weight    1.000    peak      518       spectrum  5          !vol=2.49E+07  ppm1      8.683     ppm2      0.641     CV        1

assign      {         519       }
(        segid "   C"         and       resid     25        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD1#         )
3.330     1.386     2.670     weight    1.000    peak      519       spectrum  5          !vol=3.04E+07  ppm1      8.338     ppm2      0.723     CV        1

assign      {         520       }
(        segid "   C"         and       resid     25        and       name      HN           )
(        segid "   D"         and       resid     18        and       name      HD2#         )
3.115     1.213     2.158     weight    1.000    peak      520       spectrum  5          !vol=4.53E+07  ppm1      8.330     ppm2      0.707     CV        1

assign      {         522       }
(        segid "   C"         and       resid     31        and       name      HN           )
(        segid "   A"         and       resid     35        and       name      HD1#         )
3.318     1.376     3.180     weight    1.000    peak      522       spectrum  5          !vol=3.11E+07  ppm1      7.230     ppm2      1.027     CV        1

assign      {         524       }
(        segid "   C"         and       resid     39        and       name      HN           )
(        segid "   A"         and       resid     30        and       name      HD2#         )
3.431     1.472     2.570     weight    1.000    peak      524       spectrum  5          !vol=2.54E+07  ppm1      8.017     ppm2      0.868     CV        1

assign      {         526       }
(        segid "   C"         and       resid     47        and       name      HE21         )
(        segid "   A"         and       resid     19        and       name      HE#          )
2.957     1.093     1.199     weight    1.000    peak      526       spectrum  5          !vol=6.20E+07  ppm1      7.571     ppm2      2.017     CV        1

assign      {         527       }
(        segid "   C"         and       resid     47        and       name      HE22         )
(        segid "   B"         and       resid     7         and       name      HD1#         )
3.333     1.388     1.388     weight    1.000    peak      527       spectrum  5          !vol=3.02E+07  ppm1      6.908     ppm2      0.835     CV        1

assign      {         528       }
(        segid "   C"         and       resid     47        and       name      HN           )
(        segid "   A"         and       resid     19        and       name      HE#          )
2.672     0.892     2.976     weight    1.000    peak      528       spectrum  5          !vol=1.14E+08  ppm1      7.927     ppm2      2.016     CV        1











assign      {         1         }
(        segid "   D"         and       resid     3         and       name      HA           )
(        segid "   C"         and       resid     12        and       name      HD#          )
3.518     1.547     2.974     weight    1.000    peak      1         spectrum  5          !vol=6.53E+05  ppm1      4.597     ppm2      3.096     CV        1

assign      {         2         }
(        segid "   D"         and       resid     4         and       name      HA           )
(        segid "   C"         and       resid     10        and       name      HB2          )
3.129     1.224     1.224     weight    1.000    peak      2         spectrum  5          !vol=1.32E+06  ppm1      4.636     ppm2      1.834     CV        1

assign      {         3         }
(        segid "   D"         and       resid     4         and       name      HA           )
(        segid "   C"         and       resid     10        and       name      HB1          )
3.188     1.270     1.270     weight    1.000    peak      3         spectrum  5          !vol=1.18E+06  ppm1      4.638     ppm2      1.719     CV        1

assign      {         4         }
(        segid "   D"         and       resid     4         and       name      HA           )
(        segid "   C"         and       resid     10        and       name      HD#          )
3.246     1.317     1.317     weight    1.000    peak      4         spectrum  5          !vol=1.06E+06  ppm1      4.629     ppm2      3.216     CV        1

assign      {         5         }
(        segid "   D"         and       resid     4         and       name      HA           )
(        segid "   C"         and       resid     10        and       name      HG2          )
2.977     1.108     1.108     weight    1.000    peak      5         spectrum  5          !vol=1.78E+06  ppm1      4.637     ppm2      1.608     CV        1

assign      {         6         }
(        segid "   D"         and       resid     4         and       name      HA           )
(        segid "   C"         and       resid     10        and       name      HG1          )
2.980     1.110     1.370     weight    1.000    peak      6         spectrum  5          !vol=1.77E+06  ppm1      4.636     ppm2      1.561     CV        1

assign      {         7         }
(        segid "   D"         and       resid     4         and       name      HB#          )
(        segid "   C"         and       resid     10        and       name      HA           )
3.416     1.458     1.458     weight    1.000    peak      7         spectrum  5          !vol=7.80E+05  ppm1      3.717     ppm2      4.876     CV        1

assign      {         8         }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     9         and       name      HB           )
3.390     1.436     1.436     weight    1.000    peak      8         spectrum  5          !vol=8.17E+05  ppm1      6.538     ppm2      1.863     CV        1

assign      {         9         }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     9         and       name      HG1#         )
2.682     0.899     1.010     weight    1.000    peak      9         spectrum  5          !vol=3.33E+06  ppm1      6.539     ppm2      0.943     CV        1

assign      {         10        }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     10        and       name      HA           )
3.315     1.374     1.374     weight    1.000    peak      10        spectrum  5          !vol=9.33E+05  ppm1      6.537     ppm2      4.875     CV        1

assign      {         11        }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     15        and       name      HA           )
3.674     1.687     1.803     weight    1.000    peak      11        spectrum  5          !vol=5.04E+05  ppm1      6.555     ppm2      3.907     CV        1

assign      {         12        }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     15        and       name      HB2          )
3.666     1.680     1.680     weight    1.000    peak      12        spectrum  5          !vol=5.10E+05  ppm1      6.531     ppm2      2.780     CV        1

assign      {         13        }
(        segid "   D"         and       resid     5         and       name      HD#          )
(        segid "   C"         and       resid     15        and       name      HB1          )
3.702     1.713     1.713     weight    1.000    peak      13        spectrum  5          !vol=4.81E+05  ppm1      6.538     ppm2      2.627     CV        1

assign      {         14        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HA           )
2.844     1.011     1.011     weight    1.000    peak      14        spectrum  5          !vol=2.34E+06  ppm1      6.503     ppm2      3.456     CV        1

assign      {         15        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HB2          )
3.301     1.362     1.362     weight    1.000    peak      15        spectrum  5          !vol=9.57E+05  ppm1      6.502     ppm2      2.028     CV        1

assign      {         16        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HB1          )
3.422     1.463     1.463     weight    1.000    peak      16        spectrum  5          !vol=7.72E+05  ppm1      6.498     ppm2      1.841     CV        1

assign      {         17        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HD#          )
2.682     0.899     0.899     weight    1.000    peak      17        spectrum  5          !vol=3.33E+06  ppm1      6.502     ppm2      3.096     CV        1

assign      {         18        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HG2          )
3.316     1.374     1.594     weight    1.000    peak      18        spectrum  5          !vol=9.32E+05  ppm1      6.503     ppm2      1.665     CV        1

assign      {         19        }
(        segid "   D"         and       resid     5         and       name      HE#          )
(        segid "   C"         and       resid     12        and       name      HG1          )
3.266     1.334     1.334     weight    1.000    peak      19        spectrum  5          !vol=1.02E+06  ppm1      6.503     ppm2      1.473     CV        1

assign      {         21        }
(        segid "   D"         and       resid     6         and       name      HA           )
(        segid "   C"         and       resid     8         and       name      HA           )
2.618     0.857     0.857     weight    1.000    peak      21        spectrum  5          !vol=3.85E+06  ppm1      5.360     ppm2      5.063     CV        1

assign      {         22        }
(        segid "   D"         and       resid     6         and       name      HA           )
(        segid "   C"         and       resid     8         and       name      HB2          )
3.462     1.498     1.849     weight    1.000    peak      22        spectrum  5          !vol=7.20E+05  ppm1      5.363     ppm2      1.896     CV        1

assign      {         23        }
(        segid "   D"         and       resid     6         and       name      HA           )
(        segid "   C"         and       resid     8         and       name      HB1          )
3.354     1.406     1.406     weight    1.000    peak      23        spectrum  5          !vol=8.70E+05  ppm1      5.361     ppm2      1.794     CV        1

assign      {         24        }
(        segid "   D"         and       resid     6         and       name      HA           )
(        segid "   C"         and       resid     8         and       name      HG#          )
3.145     1.236     1.236     weight    1.000    peak      24        spectrum  5          !vol=1.28E+06  ppm1      5.358     ppm2      2.010     CV        1

assign      {         25        }
(        segid "   D"         and       resid     6         and       name      HA           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
3.531     1.559     2.656     weight    1.000    peak      25        spectrum  5          !vol=6.39E+05  ppm1      5.358     ppm2      0.944     CV        1

assign      {         26        }
(        segid "   D"         and       resid     6         and       name      HD#          )
(        segid "   C"         and       resid     8         and       name      HA           )
3.188     1.270     1.270     weight    1.000    peak      26        spectrum  5          !vol=1.18E+06  ppm1      7.024     ppm2      5.061     CV        1

assign      {         27        }
(        segid "   D"         and       resid     6         and       name      HD#          )
(        segid "   C"         and       resid     8         and       name      HB2          )
3.240     1.313     1.313     weight    1.000    peak      27        spectrum  5          !vol=1.07E+06  ppm1      7.026     ppm2      1.892     CV        1

assign      {         28        }
(        segid "   D"         and       resid     6         and       name      HD#          )
(        segid "   C"         and       resid     8         and       name      HB1          )
3.197     1.278     1.278     weight    1.000    peak      28        spectrum  5          !vol=1.16E+06  ppm1      7.022     ppm2      1.800     CV        1

assign      {         29        }
(        segid "   D"         and       resid     6         and       name      HD#          )
(        segid "   C"         and       resid     8         and       name      HG#          )
2.901     1.052     1.052     weight    1.000    peak      29        spectrum  5          !vol=2.08E+06  ppm1      7.023     ppm2      2.010     CV        1

assign      {         30        }
(        segid "   D"         and       resid     6         and       name      HE#          )
(        segid "   C"         and       resid     8         and       name      HA           )
3.666     1.680     1.680     weight    1.000    peak      30        spectrum  5          !vol=5.10E+05  ppm1      6.690     ppm2      5.061     CV        1

assign      {         31        }
(        segid "   D"         and       resid     6         and       name      HE#          )
(        segid "   C"         and       resid     8         and       name      HB2          )
3.226     1.301     1.451     weight    1.000    peak      31        spectrum  5          !vol=1.10E+06  ppm1      6.686     ppm2      1.895     CV        1

assign      {         32        }
(        segid "   D"         and       resid     6         and       name      HE#          )
(        segid "   C"         and       resid     8         and       name      HB1          )
3.153     1.243     1.243     weight    1.000    peak      32        spectrum  5          !vol=1.26E+06  ppm1      6.688     ppm2      1.801     CV        1

assign      {         33        }
(        segid "   D"         and       resid     6         and       name      HE#          )
(        segid "   C"         and       resid     8         and       name      HG#          )
2.865     1.026     1.026     weight    1.000    peak      33        spectrum  5          !vol=2.24E+06  ppm1      6.690     ppm2      2.009     CV        1

assign      {         34        }
(        segid "   D"         and       resid     7         and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD#          )
3.374     1.423     1.794     weight    1.000    peak      34        spectrum  5          !vol=8.40E+05  ppm1      4.938     ppm2      0.841     CV        1

assign      {         35        }
(        segid "   D"         and       resid     7         and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.461     1.497     1.789     weight    1.000    peak      35        spectrum  5          !vol=7.21E+05  ppm1      4.936     ppm2      0.786     CV        1

assign      {         36        }
(        segid "   D"         and       resid     7         and       name      HA           )
(        segid "   C"         and       resid     19        and       name      HE#          )
2.880     1.037     1.037     weight    1.000    peak      36        spectrum  5          !vol=2.17E+06  ppm1      4.934     ppm2      2.021     CV        1

assign      {         37        }
(        segid "   D"         and       resid     7         and       name      HB2          )
(        segid "   C"         and       resid     6         and       name      HA           )
3.721     1.730     2.085     weight    1.000    peak      37        spectrum  5          !vol=4.67E+05  ppm1      1.885     ppm2      5.353     CV        1

assign      {         38        }
(        segid "   D"         and       resid     7         and       name      HB2          )
(        segid "   C"         and       resid     7         and       name      HB2          )
3.153     1.243     1.243     weight    1.000    peak      38        spectrum  5          !vol=1.26E+06  ppm1      1.884     ppm2      1.881     CV        1

assign      {         39        }
(        segid "   D"         and       resid     7         and       name      HB2          )
(        segid "   C"         and       resid     7         and       name      HB1          )
3.240     1.313     1.313     weight    1.000    peak      39        spectrum  5          !vol=1.07E+06  ppm1      1.878     ppm2      1.634     CV        1

assign      {         40        }
(        segid "   D"         and       resid     7         and       name      HB1          )
(        segid "   C"         and       resid     7         and       name      HD#          )
2.752     0.947     0.947     weight    1.000    peak      40        spectrum  5          !vol=2.85E+06  ppm1      1.634     ppm2      0.844     CV        1

assign      {         41        }
(        segid "   D"         and       resid     7         and       name      HB1          )
(        segid "   C"         and       resid     9         and       name      HG2#         )
2.806     0.984     1.869     weight    1.000    peak      41        spectrum  5          !vol=2.54E+06  ppm1      1.630     ppm2      0.989     CV        1

assign      {         42        }
(        segid "   D"         and       resid     8         and       name      HA           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.955     1.092     1.092     weight    1.000    peak      42        spectrum  5          !vol=1.86E+06  ppm1      5.064     ppm2      0.853     CV        1

assign      {         43        }
(        segid "   D"         and       resid     8         and       name      HA           )
(        segid "   C"         and       resid     6         and       name      HB2          )
3.665     1.679     1.679     weight    1.000    peak      43        spectrum  5          !vol=5.11E+05  ppm1      5.069     ppm2      2.951     CV        1

assign      {         44        }
(        segid "   D"         and       resid     8         and       name      HA           )
(        segid "   C"         and       resid     6         and       name      HB1          )
3.531     1.559     1.559     weight    1.000    peak      44        spectrum  5          !vol=6.39E+05  ppm1      5.061     ppm2      2.841     CV        1

assign      {         46        }
(        segid "   D"         and       resid     10        and       name      HA           )
(        segid "   C"         and       resid     3         and       name      HB#          )
3.765     1.772     1.772     weight    1.000    peak      46        spectrum  5          !vol=4.35E+05  ppm1      4.870     ppm2      2.611     CV        1

assign      {         47        }
(        segid "   D"         and       resid     10        and       name      HA           )
(        segid "   C"         and       resid     4         and       name      HA           )
2.326     0.676     0.676     weight    1.000    peak      47        spectrum  5          !vol=7.82E+06  ppm1      4.877     ppm2      4.633     CV        1

assign      {         48        }
(        segid "   D"         and       resid     10        and       name      HA           )
(        segid "   C"         and       resid     4         and       name      HB#          )
2.940     1.080     1.488     weight    1.000    peak      48        spectrum  5          !vol=1.92E+06  ppm1      4.875     ppm2      3.714     CV        1

assign      {         49        }
(        segid "   D"         and       resid     10        and       name      HA           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.503     0.783     0.783     weight    1.000    peak      49        spectrum  5          !vol=5.04E+06  ppm1      4.878     ppm2      0.850     CV        1

assign      {         50        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HA           )
3.745     1.753     1.753     weight    1.000    peak      50        spectrum  5          !vol=4.49E+05  ppm1      7.392     ppm2      4.931     CV        1

assign      {         51        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HB2          )
3.831     1.834     2.582     weight    1.000    peak      51        spectrum  5          !vol=3.92E+05  ppm1      7.390     ppm2      1.887     CV        1

assign      {         52        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HB1          )
3.798     1.803     1.803     weight    1.000    peak      52        spectrum  5          !vol=4.13E+05  ppm1      7.398     ppm2      1.639     CV        1

assign      {         53        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HD#          )
3.060     1.170     1.170     weight    1.000    peak      53        spectrum  5          !vol=1.51E+06  ppm1      7.394     ppm2      0.844     CV        1

assign      {         54        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.170     1.256     2.430     weight    1.000    peak      54        spectrum  5          !vol=1.22E+06  ppm1      7.392     ppm2      0.783     CV        1

assign      {         55        }
(        segid "   D"         and       resid     15        and       name      HZ           )
(        segid "   C"         and       resid     7         and       name      HG           )
3.804     1.809     2.152     weight    1.000    peak      55        spectrum  5          !vol=4.09E+05  ppm1      7.398     ppm2      1.760     CV        1

assign      {         58        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     2         and       name      HA           )
3.359     1.410     2.084     weight    1.000    peak      58        spectrum  5          !vol=8.63E+05  ppm1      6.671     ppm2      4.281     CV        1

assign      {         59        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HA           )
3.672     1.686     1.686     weight    1.000    peak      59        spectrum  5          !vol=5.05E+05  ppm1      6.678     ppm2      4.930     CV        1

assign      {         60        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HB2          )
3.494     1.526     1.801     weight    1.000    peak      60        spectrum  5          !vol=6.81E+05  ppm1      6.675     ppm2      1.879     CV        1

assign      {         61        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HB1          )
3.492     1.524     1.826     weight    1.000    peak      61        spectrum  5          !vol=6.83E+05  ppm1      6.672     ppm2      1.632     CV        1

assign      {         62        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HD#          )
2.694     0.907     0.907     weight    1.000    peak      62        spectrum  5          !vol=3.24E+06  ppm1      6.670     ppm2      0.845     CV        1

assign      {         63        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.662     0.886     0.886     weight    1.000    peak      63        spectrum  5          !vol=3.48E+06  ppm1      6.671     ppm2      0.786     CV        1

assign      {         64        }
(        segid "   D"         and       resid     15        and       name      HD#          )
(        segid "   C"         and       resid     7         and       name      HG           )
3.484     1.517     1.517     weight    1.000    peak      64        spectrum  5          !vol=6.93E+05  ppm1      6.671     ppm2      1.760     CV        1


assign      {         67        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HA           )
3.033     1.150     1.150     weight    1.000    peak      67        spectrum  5          !vol=1.59E+06  ppm1      7.261     ppm2      4.928     CV        1

assign      {         68        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HB2          )
3.033     1.150     1.283     weight    1.000    peak      68        spectrum  5          !vol=1.59E+06  ppm1      7.260     ppm2      1.883     CV        1

assign      {         69        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HB1          )
3.021     1.141     1.141     weight    1.000    peak      69        spectrum  5          !vol=1.63E+06  ppm1      7.259     ppm2      1.632     CV        1

assign      {         70        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HD#          )
2.601     0.846     0.846     weight    1.000    peak      70        spectrum  5          !vol=4.00E+06  ppm1      7.259     ppm2      0.845     CV        1

assign      {         71        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.572     0.827     0.827     weight    1.000    peak      71        spectrum  5          !vol=4.28E+06  ppm1      7.260     ppm2      0.786     CV        1

assign      {         72        }
(        segid "   D"         and       resid     15        and       name      HE#          )
(        segid "   C"         and       resid     7         and       name      HG           )
3.133     1.227     1.227     weight    1.000    peak      72        spectrum  5          !vol=1.31E+06  ppm1      7.259     ppm2      1.760     CV        1

assign      {         74        }
(        segid "   D"         and       resid     16        and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.578     1.601     1.991     weight    1.000    peak      74        spectrum  5          !vol=5.90E+05  ppm1      3.498     ppm2      0.790     CV        1

assign      {         85        }
(        segid "   D"         and       resid     19        and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD#          )
2.472     0.764     0.764     weight    1.000    peak      85        spectrum  5          !vol=5.43E+06  ppm1      4.076     ppm2      0.844     CV        1

assign      {         86        }
(        segid "   D"         and       resid     19        and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.581     0.833     0.833     weight    1.000    peak      86        spectrum  5          !vol=4.19E+06  ppm1      4.077     ppm2      0.786     CV        1

assign      {         87        }
(        segid "   D"         and       resid     19        and       name      HA           )
(        segid "   C"         and       resid     18        and       name      HD1#         )
3.540     1.566     1.920     weight    1.000    peak      87        spectrum  5          !vol=6.30E+05  ppm1      4.079     ppm2      0.733     CV        1

assign      {         99        }
(        segid "   D"         and       resid     22        and       name      HA           )
(        segid "   C"         and       resid     18        and       name      HD1#         )
2.791     0.974     0.974     weight    1.000    peak      99        spectrum  5          !vol=2.62E+06  ppm1      3.759     ppm2      0.729     CV        1

assign      {         100       }
(        segid "   D"         and       resid     22        and       name      HA           )
(        segid "   C"         and       resid     18        and       name      HG           )
3.705     1.716     1.716     weight    1.000    peak      100       spectrum  5          !vol=4.79E+05  ppm1      3.750     ppm2      1.801     CV        1

assign      {         101       }
(        segid "   D"         and       resid     22        and       name      HG1          )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.070     1.178     1.178     weight    1.000    peak      101       spectrum  5          !vol=1.48E+06  ppm1      1.422     ppm2      0.991     CV        1

assign      {         102       }
(        segid "   D"         and       resid     24        and       name      HA           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
2.971     1.104     1.618     weight    1.000    peak      102       spectrum  5          !vol=1.80E+06  ppm1      4.126     ppm2      0.829     CV        1

assign      {         103       }
(        segid "   D"         and       resid     24        and       name      HA           )
(        segid "   B"         and       resid     28        and       name      HB2          )
3.288     1.351     2.040     weight    1.000    peak      103       spectrum  5          !vol=9.81E+05  ppm1      4.137     ppm2      2.118     CV        1

assign      {         104       }
(        segid "   D"         and       resid     24        and       name      HA           )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.506     0.785     0.785     weight    1.000    peak      104       spectrum  5          !vol=5.00E+06  ppm1      4.130     ppm2      1.979     CV        1

assign      {         105       }
(        segid "   D"         and       resid     24        and       name      HA           )
(        segid "   B"         and       resid     28        and       name      HG2          )
3.137     1.230     1.444     weight    1.000    peak      105       spectrum  5          !vol=1.30E+06  ppm1      4.139     ppm2      2.697     CV        1

assign      {         106       }
(        segid "   D"         and       resid     24        and       name      HA           )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.106     1.206     1.206     weight    1.000    peak      106       spectrum  5          !vol=1.38E+06  ppm1      4.138     ppm2      2.474     CV        1

assign      {         107       }
(        segid "   D"         and       resid     24        and       name      HB2          )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.661     0.885     2.565     weight    1.000    peak      107       spectrum  5          !vol=3.49E+06  ppm1      3.906     ppm2      1.979     CV        1

assign      {         108       }
(        segid "   D"         and       resid     24        and       name      HB1          )
(        segid "   B"         and       resid     28        and       name      HE#          )
3.060     1.170     1.170     weight    1.000    peak      108       spectrum  5          !vol=1.51E+06  ppm1      3.735     ppm2      1.977     CV        1

assign      {         109       }
(        segid "   D"         and       resid     24        and       name      HB1          )
(        segid "   B"         and       resid     28        and       name      HG2          )
3.653     1.668     1.996     weight    1.000    peak      109       spectrum  5          !vol=5.21E+05  ppm1      3.730     ppm2      2.699     CV        1

assign      {         110       }
(        segid "   D"         and       resid     24        and       name      HB1          )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.631     1.648     1.648     weight    1.000    peak      110       spectrum  5          !vol=5.41E+05  ppm1      3.734     ppm2      2.476     CV        1


assign      {         112       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     28        and       name      HB2          )
3.442     1.481     2.416     weight    1.000    peak      112       spectrum  5          !vol=7.45E+05  ppm1      0.608     ppm2      2.133     CV        1

assign      {         113       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.060     0.531     1.204     weight    1.000    peak      113       spectrum  5          !vol=1.62E+07  ppm1      0.614     ppm2      1.979     CV        1

assign      {         114       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     28        and       name      HG2          )
3.158     1.246     1.246     weight    1.000    peak      114       spectrum  5          !vol=1.25E+06  ppm1      0.614     ppm2      2.696     CV        1

assign      {         115       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.009     1.132     1.132     weight    1.000    peak      115       spectrum  5          !vol=1.67E+06  ppm1      0.616     ppm2      2.473     CV        1

assign      {         116       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     31        and       name      HB           )
3.734     1.743     2.395     weight    1.000    peak      116       spectrum  5          !vol=4.57E+05  ppm1      0.609     ppm2      1.950     CV        1

assign      {         117       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     36        and       name      HA           )
3.251     1.321     1.321     weight    1.000    peak      117       spectrum  5          !vol=1.05E+06  ppm1      0.613     ppm2      3.542     CV        1

assign      {         118       }
(        segid "   D"         and       resid     27        and       name      HD1#         )
(        segid "   B"         and       resid     36        and       name      HG1#         )
2.629     0.864     0.864     weight    1.000    peak      118       spectrum  5          !vol=3.75E+06  ppm1      0.614     ppm2      0.912     CV        1


assign      {         120       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     31        and       name      HB           )
3.620     1.638     2.380     weight    1.000    peak      120       spectrum  5          !vol=5.51E+05  ppm1      0.482     ppm2      1.950     CV        1

assign      {         121       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     36        and       name      HA           )
3.037     1.153     1.153     weight    1.000    peak      121       spectrum  5          !vol=1.58E+06  ppm1      0.479     ppm2      3.540     CV        1

assign      {         122       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     36        and       name      HG1#         )
2.898     1.050     1.050     weight    1.000    peak      122       spectrum  5          !vol=2.09E+06  ppm1      0.479     ppm2      0.911     CV        1

assign      {         123       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     39        and       name      HB2          )
3.567     1.590     1.590     weight    1.000    peak      123       spectrum  5          !vol=6.02E+05  ppm1      0.478     ppm2      3.362     CV        1

assign      {         124       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     39        and       name      HB1          )
3.502     1.533     1.533     weight    1.000    peak      124       spectrum  5          !vol=6.72E+05  ppm1      0.484     ppm2      3.128     CV        1

assign      {         125       }
(        segid "   D"         and       resid     27        and       name      HG           )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.901     1.052     1.955     weight    1.000    peak      125       spectrum  5          !vol=2.08E+06  ppm1      1.101     ppm2      1.979     CV        1

assign      {         126       }
(        segid "   D"         and       resid     27        and       name      HG           )
(        segid "   B"         and       resid     28        and       name      HG2          )
3.877     1.879     2.120     weight    1.000    peak      126       spectrum  5          !vol=3.65E+05  ppm1      1.091     ppm2      2.688     CV        1

assign      {         127       }
(        segid "   D"         and       resid     27        and       name      HG           )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.873     1.875     2.130     weight    1.000    peak      127       spectrum  5          !vol=3.67E+05  ppm1      1.105     ppm2      2.471     CV        1

assign      {         128       }
(        segid "   D"         and       resid     28        and       name      HA           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.235     1.309     2.770     weight    1.000    peak      128       spectrum  5          !vol=1.08E+06  ppm1      3.934     ppm2      0.611     CV        1

assign      {         129       }
(        segid "   D"         and       resid     28        and       name      HA           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.206     1.285     2.790     weight    1.000    peak      129       spectrum  5          !vol=1.14E+06  ppm1      3.927     ppm2      0.474     CV        1

assign      {         130       }
(        segid "   D"         and       resid     28        and       name      HG2          )
(        segid "   B"         and       resid     24        and       name      HA           )
3.714     1.724     1.724     weight    1.000    peak      130       spectrum  5          !vol=4.72E+05  ppm1      2.696     ppm2      4.132     CV        1

assign      {         131       }
(        segid "   D"         and       resid     28        and       name      HG2          )
(        segid "   B"         and       resid     24        and       name      HB2          )
3.982     1.982     1.982     weight    1.000    peak      131       spectrum  5          !vol=3.11E+05  ppm1      2.700     ppm2      3.904     CV        1

assign      {         132       }
(        segid "   D"         and       resid     28        and       name      HG2          )
(        segid "   B"         and       resid     24        and       name      HB1          )
3.986     1.986     1.986     weight    1.000    peak      132       spectrum  5          !vol=3.09E+05  ppm1      2.697     ppm2      3.731     CV        1

assign      {         133       }
(        segid "   D"         and       resid     28        and       name      HG2          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.431     1.471     1.471     weight    1.000    peak      133       spectrum  5          !vol=7.60E+05  ppm1      2.701     ppm2      0.612     CV        1

assign      {         134       }
(        segid "   D"         and       resid     28        and       name      HG2          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.864     1.867     2.180     weight    1.000    peak      134       spectrum  5          !vol=3.72E+05  ppm1      2.695     ppm2      0.472     CV        1

assign      {         135       }
(        segid "   D"         and       resid     28        and       name      HG1          )
(        segid "   B"         and       resid     24        and       name      HA           )
3.921     1.922     1.922     weight    1.000    peak      135       spectrum  5          !vol=3.41E+05  ppm1      2.473     ppm2      4.125     CV        1

assign      {         136       }
(        segid "   D"         and       resid     28        and       name      HG1          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.141     1.233     1.233     weight    1.000    peak      136       spectrum  5          !vol=1.29E+06  ppm1      2.477     ppm2      0.612     CV        1

assign      {         137       }
(        segid "   D"         and       resid     28        and       name      HG1          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.573     1.596     1.596     weight    1.000    peak      137       spectrum  5          !vol=5.95E+05  ppm1      2.470     ppm2      0.475     CV        1


assign      {         139       }
(        segid "   D"         and       resid     31        and       name      HB           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
2.937     1.078     3.060     weight    1.000    peak      139       spectrum  5          !vol=1.93E+06  ppm1      1.940     ppm2      0.927     CV        1

assign      {         140       }
(        segid "   D"         and       resid     35        and       name      HB1          )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.145     1.236     1.236     weight    1.000    peak      140       spectrum  5          !vol=1.28E+06  ppm1      1.512     ppm2      0.927     CV        1

assign      {         141       }
(        segid "   D"         and       resid     36        and       name      HA           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.046     1.160     1.160     weight    1.000    peak      141       spectrum  5          !vol=1.55E+06  ppm1      3.543     ppm2      0.612     CV        1

assign      {         142       }
(        segid "   D"         and       resid     36        and       name      HA           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.697     0.909     0.909     weight    1.000    peak      142       spectrum  5          !vol=3.22E+06  ppm1      3.543     ppm2      0.474     CV        1

assign      {         143       }
(        segid "   D"         and       resid     36        and       name      HA           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.481     1.515     1.515     weight    1.000    peak      143       spectrum  5          !vol=6.96E+05  ppm1      3.541     ppm2      0.928     CV        1

assign      {         144       }
(        segid "   D"         and       resid     36        and       name      HG1#         )
(        segid "   B"         and       resid     27        and       name      HD1#         )
2.389     0.714     0.714     weight    1.000    peak      144       spectrum  5          !vol=6.66E+06  ppm1      0.910     ppm2      0.612     CV        1

assign      {         145       }
(        segid "   D"         and       resid     36        and       name      HG1#         )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.271     0.645     1.605     weight    1.000    peak      145       spectrum  5          !vol=9.03E+06  ppm1      0.914     ppm2      0.474     CV        1

assign      {         148       }
(        segid "   D"         and       resid     39        and       name      HA           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.060     1.170     1.301     weight    1.000    peak      148       spectrum  5          !vol=1.51E+06  ppm1      4.223     ppm2      0.473     CV        1

assign      {         149       }
(        segid "   D"         and       resid     39        and       name      HB2          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.333     1.388     1.388     weight    1.000    peak      149       spectrum  5          !vol=9.04E+05  ppm1      3.372     ppm2      0.473     CV        1

assign      {         150       }
(        segid "   D"         and       resid     39        and       name      HB2          )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.772     1.779     1.779     weight    1.000    peak      150       spectrum  5          !vol=4.30E+05  ppm1      3.367     ppm2      0.931     CV        1

assign      {         151       }
(        segid "   D"         and       resid     39        and       name      HB1          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.938     1.939     1.939     weight    1.000    peak      151       spectrum  5          !vol=3.32E+05  ppm1      3.128     ppm2      0.611     CV        1

assign      {         152       }
(        segid "   D"         and       resid     39        and       name      HB1          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.170     1.256     1.256     weight    1.000    peak      152       spectrum  5          !vol=1.22E+06  ppm1      3.135     ppm2      0.474     CV        1

assign      {         153       }
(        segid "   D"         and       resid     39        and       name      HB1          )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.558     1.582     1.582     weight    1.000    peak      153       spectrum  5          !vol=6.11E+05  ppm1      3.131     ppm2      0.929     CV        1

assign      {         154       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     23        and       name      HB2          )
3.775     1.781     1.781     weight    1.000    peak      154       spectrum  5          !vol=4.28E+05  ppm1      7.058     ppm2      2.283     CV        1

assign      {         155       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     23        and       name      HB1          )
3.946     1.947     1.947     weight    1.000    peak      155       spectrum  5          !vol=3.28E+05  ppm1      7.056     ppm2      2.107     CV        1

assign      {         156       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     23        and       name      HG2          )
3.584     1.605     1.605     weight    1.000    peak      156       spectrum  5          !vol=5.85E+05  ppm1      7.056     ppm2      2.468     CV        1

assign      {         157       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     23        and       name      HG1          )
3.731     1.740     1.861     weight    1.000    peak      157       spectrum  5          !vol=4.59E+05  ppm1      7.053     ppm2      2.197     CV        1

assign      {         158       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.018     1.138     1.138     weight    1.000    peak      158       spectrum  5          !vol=1.64E+06  ppm1      7.054     ppm2      0.611     CV        1

assign      {         159       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.609     0.851     0.851     weight    1.000    peak      159       spectrum  5          !vol=3.93E+06  ppm1      7.055     ppm2      0.475     CV        1

assign      {         160       }
(        segid "   D"         and       resid     39        and       name      HD#          )
(        segid "   B"         and       resid     30        and       name      HD1#         )
2.932     1.075     1.075     weight    1.000    peak      160       spectrum  5          !vol=1.95E+06  ppm1      7.056     ppm2      0.928     CV        1

assign      {         161       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HB2          )
2.961     1.096     1.096     weight    1.000    peak      161       spectrum  5          !vol=1.84E+06  ppm1      6.803     ppm2      2.266     CV        1

assign      {         162       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HB1          )
3.067     1.175     1.175     weight    1.000    peak      162       spectrum  5          !vol=1.49E+06  ppm1      6.803     ppm2      2.120     CV        1

assign      {         163       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HG2          )
2.985     1.114     1.114     weight    1.000    peak      163       spectrum  5          !vol=1.75E+06  ppm1      6.803     ppm2      2.464     CV        1

assign      {         164       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HG1          )
3.088     1.192     1.192     weight    1.000    peak      164       spectrum  5          !vol=1.43E+06  ppm1      6.803     ppm2      2.198     CV        1

assign      {         165       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     26        and       name      HA           )
3.361     1.412     2.513     weight    1.000    peak      165       spectrum  5          !vol=8.59E+05  ppm1      6.806     ppm2      4.082     CV        1

assign      {         166       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     26        and       name      HG2#         )
3.762     1.769     1.769     weight    1.000    peak      166       spectrum  5          !vol=4.37E+05  ppm1      6.801     ppm2      2.860     CV        1

assign      {         167       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     26        and       name      HG1          )
3.663     1.677     1.677     weight    1.000    peak      167       spectrum  5          !vol=5.13E+05  ppm1      6.798     ppm2      2.314     CV        1

assign      {         168       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.030     1.148     1.148     weight    1.000    peak      168       spectrum  5          !vol=1.60E+06  ppm1      6.804     ppm2      0.612     CV        1

assign      {         169       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.898     1.050     1.050     weight    1.000    peak      169       spectrum  5          !vol=2.09E+06  ppm1      6.803     ppm2      0.475     CV        1

assign      {         170       }
(        segid "   D"         and       resid     39        and       name      HE#          )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.355     1.407     2.643     weight    1.000    peak      170       spectrum  5          !vol=8.69E+05  ppm1      6.800     ppm2      0.931     CV        1

assign      {         200       }
(        segid "   D"         and       resid     5         and       name      HN           )
(        segid "   C"         and       resid     8         and       name      HG#          )
3.082     1.188     1.188     weight    1.000    peak      200       spectrum  5          !vol=4.83E+07  ppm1      8.879     ppm2      2.006     CV        1

assign      {         201       }
(        segid "   D"         and       resid     5         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HB           )
3.129     1.224     1.224     weight    1.000    peak      201       spectrum  5          !vol=4.41E+07  ppm1      8.881     ppm2      1.865     CV        1

assign      {         202       }
(        segid "   D"         and       resid     5         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
2.762     0.954     1.312     weight    1.000    peak      202       spectrum  5          !vol=9.33E+07  ppm1      8.887     ppm2      0.939     CV        1

assign      {         203       }
(        segid "   D"         and       resid     5         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.018     1.139     1.685     weight    1.000    peak      203       spectrum  5          !vol=5.48E+07  ppm1      8.896     ppm2      0.980     CV        1

assign      {         204       }
(        segid "   D"         and       resid     6         and       name      HN           )
(        segid "   C"         and       resid     8         and       name      HG#          )
3.471     1.506     1.506     weight    1.000    peak      204       spectrum  5          !vol=2.37E+07  ppm1      8.463     ppm2      2.003     CV        1

assign      {         205       }
(        segid "   D"         and       resid     6         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
2.932     1.074     3.570     weight    1.000    peak      205       spectrum  5          !vol=6.52E+07  ppm1      8.457     ppm2      0.939     CV        1

assign      {         206       }
(        segid "   D"         and       resid     6         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.371     1.421     3.084     weight    1.000    peak      206       spectrum  5          !vol=2.82E+07  ppm1      8.468     ppm2      0.983     CV        1

assign      {         207       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     6         and       name      HB2          )
3.644     1.659     1.659     weight    1.000    peak      207       spectrum  5          !vol=1.77E+07  ppm1      9.224     ppm2      2.959     CV        1

assign      {         208       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HB2          )
3.100     1.201     1.201     weight    1.000    peak      208       spectrum  5          !vol=4.67E+07  ppm1      9.231     ppm2      1.875     CV        1

assign      {         209       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HB1          )
3.313     1.372     1.372     weight    1.000    peak      209       spectrum  5          !vol=3.13E+07  ppm1      9.222     ppm2      1.623     CV        1

assign      {         210       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.064     1.174     2.810     weight    1.000    peak      210       spectrum  5          !vol=5.00E+07  ppm1      9.223     ppm2      0.840     CV        1

assign      {         211       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.044     1.158     1.736     weight    1.000    peak      211       spectrum  5          !vol=5.21E+07  ppm1      9.221     ppm2      0.779     CV        1

assign      {         212       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     8         and       name      HB2          )
3.426     1.467     2.756     weight    1.000    peak      212       spectrum  5          !vol=2.56E+07  ppm1      9.228     ppm2      1.895     CV        1

assign      {         213       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     8         and       name      HB1          )
3.388     1.435     1.970     weight    1.000    peak      213       spectrum  5          !vol=2.74E+07  ppm1      9.231     ppm2      1.813     CV        1

assign      {         214       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     8         and       name      HG#          )
3.121     1.218     2.015     weight    1.000    peak      214       spectrum  5          !vol=4.48E+07  ppm1      9.222     ppm2      2.012     CV        1

assign      {         215       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
3.390     1.436     2.904     weight    1.000    peak      215       spectrum  5          !vol=2.73E+07  ppm1      9.211     ppm2      0.946     CV        1

assign      {         216       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.165     1.252     2.626     weight    1.000    peak      216       spectrum  5          !vol=4.12E+07  ppm1      9.228     ppm2      0.983     CV        1

assign      {         217       }
(        segid "   D"         and       resid     8         and       name      HN           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.927     1.071     1.885     weight    1.000    peak      217       spectrum  5          !vol=6.58E+07  ppm1      8.651     ppm2      0.852     CV        1

assign      {         218       }
(        segid "   D"         and       resid     8         and       name      HN           )
(        segid "   C"         and       resid     19        and       name      HE#          )
2.708     0.917     1.454     weight    1.000    peak      218       spectrum  5          !vol=1.05E+08  ppm1      8.650     ppm2      2.019     CV        1

assign      {         219       }
(        segid "   D"         and       resid     8         and       name      HN           )
(        segid "   C"         and       resid     19        and       name      HG#          )
3.475     1.510     1.774     weight    1.000    peak      219       spectrum  5          !vol=2.35E+07  ppm1      8.652     ppm2      1.903     CV        1

assign      {         220       }
(        segid "   D"         and       resid     8         and       name      HN           )
(        segid "   C"         and       resid     22        and       name      HE1          )
3.317     1.375     1.375     weight    1.000    peak      220       spectrum  5          !vol=3.11E+07  ppm1      8.649     ppm2      3.094     CV        1

assign      {         221       }
(        segid "   D"         and       resid     9         and       name      HN           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.469     0.762     0.762     weight    1.000    peak      221       spectrum  5          !vol=1.83E+08  ppm1      9.141     ppm2      0.851     CV        1

assign      {         222       }
(        segid "   D"         and       resid     10        and       name      HN           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.940     1.081     1.081     weight    1.000    peak      222       spectrum  5          !vol=6.41E+07  ppm1      9.295     ppm2      0.851     CV        1

assign      {         223       }
(        segid "   D"         and       resid     11        and       name      HN           )
(        segid "   C"         and       resid     3         and       name      HB#          )
3.064     1.174     1.336     weight    1.000    peak      223       spectrum  5          !vol=5.00E+07  ppm1      8.792     ppm2      2.622     CV        1

assign      {         224       }
(        segid "   D"         and       resid     11        and       name      HN           )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.876     1.034     1.484     weight    1.000    peak      224       spectrum  5          !vol=7.32E+07  ppm1      8.790     ppm2      0.852     CV        1

assign      {         225       }
(        segid "   D"         and       resid     14        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
3.047     1.161     1.443     weight    1.000    peak      225       spectrum  5          !vol=5.17E+07  ppm1      7.831     ppm2      0.645     CV        1

assign      {         226       }
(        segid "   D"         and       resid     14        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
2.761     0.953     1.473     weight    1.000    peak      226       spectrum  5          !vol=9.35E+07  ppm1      7.841     ppm2      0.825     CV        1

assign      {         227       }
(        segid "   D"         and       resid     15        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.329     1.386     3.170     weight    1.000    peak      227       spectrum  5          !vol=3.04E+07  ppm1      8.043     ppm2      0.842     CV        1

assign      {         228       }
(        segid "   D"         and       resid     15        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.431     1.471     1.889     weight    1.000    peak      228       spectrum  5          !vol=2.54E+07  ppm1      8.086     ppm2      0.776     CV        1

assign      {         229       }
(        segid "   D"         and       resid     15        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
3.281     1.346     1.346     weight    1.000    peak      229       spectrum  5          !vol=3.32E+07  ppm1      8.044     ppm2      0.644     CV        1

assign      {         230       }
(        segid "   D"         and       resid     16        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.227     1.301     2.782     weight    1.000    peak      230       spectrum  5          !vol=3.67E+07  ppm1      8.439     ppm2      0.841     CV        1

assign      {         231       }
(        segid "   D"         and       resid     16        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.238     1.311     2.487     weight    1.000    peak      231       spectrum  5          !vol=3.59E+07  ppm1      8.437     ppm2      0.770     CV        1

assign      {         235       }
(        segid "   D"         and       resid     17        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
3.183     1.267     1.267     weight    1.000    peak      235       spectrum  5          !vol=3.98E+07  ppm1      7.645     ppm2      0.646     CV        1

assign      {         236       }
(        segid "   D"         and       resid     17        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
3.012     1.134     1.956     weight    1.000    peak      236       spectrum  5          !vol=5.55E+07  ppm1      7.646     ppm2      0.824     CV        1

assign      {         237       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
2.656     0.882     2.491     weight    1.000    peak      237       spectrum  5          !vol=1.18E+08  ppm1      7.929     ppm2      0.840     CV        1

assign      {         238       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.667     0.889     1.220     weight    1.000    peak      238       spectrum  5          !vol=1.15E+08  ppm1      7.928     ppm2      0.780     CV        1

assign      {         239       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     17        and       name      HD#          )
3.266     1.334     2.224     weight    1.000    peak      239       spectrum  5          !vol=3.41E+07  ppm1      7.921     ppm2      0.865     CV        1

assign      {         240       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   A"         and       resid     17        and       name      HG2#         )
3.252     1.322     2.010     weight    1.000    peak      240       spectrum  5          !vol=3.50E+07  ppm1      7.925     ppm2      0.843     CV        1

assign      {         242       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD2#         )
2.855     1.019     2.661     weight    1.000    peak      242       spectrum  5          !vol=7.65E+07  ppm1      7.930     ppm2      0.706     CV        1

assign      {         243       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     21        and       name      HD2#         )
3.409     1.452     1.822     weight    1.000    peak      243       spectrum  5          !vol=2.64E+07  ppm1      7.922     ppm2      0.735     CV        1

assign      {         244       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
2.917     1.064     1.064     weight    1.000    peak      244       spectrum  5          !vol=6.72E+07  ppm1      7.921     ppm2      0.643     CV        1

assign      {         245       }
(        segid "   D"         and       resid     18        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
3.306     1.366     2.032     weight    1.000    peak      245       spectrum  5          !vol=3.17E+07  ppm1      7.939     ppm2      0.823     CV        1

assign      {         246       }
(        segid "   D"         and       resid     19        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
2.497     0.779     0.980     weight    1.000    peak      246       spectrum  5          !vol=1.71E+08  ppm1      8.666     ppm2      0.839     CV        1

assign      {         247       }
(        segid "   D"         and       resid     19        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.575     0.829     0.829     weight    1.000    peak      247       spectrum  5          !vol=1.42E+08  ppm1      8.667     ppm2      0.779     CV        1

assign      {         248       }
(        segid "   D"         and       resid     19        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD2#         )
3.251     1.321     1.535     weight    1.000    peak      248       spectrum  5          !vol=3.51E+07  ppm1      8.669     ppm2      0.711     CV        1

assign      {         249       }
(        segid "   D"         and       resid     20        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.094     1.197     1.879     weight    1.000    peak      249       spectrum  5          !vol=4.72E+07  ppm1      7.347     ppm2      0.838     CV        1

assign      {         251       }
(        segid "   D"         and       resid     21        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.069     1.177     2.607     weight    1.000    peak      251       spectrum  5          !vol=4.96E+07  ppm1      7.652     ppm2      0.837     CV        1

assign      {         252       }
(        segid "   D"         and       resid     21        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.979     1.109     2.317     weight    1.000    peak      252       spectrum  5          !vol=5.93E+07  ppm1      7.654     ppm2      0.779     CV        1

assign      {         253       }
(        segid "   D"         and       resid     21        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD2#         )
2.791     0.973     1.860     weight    1.000    peak      253       spectrum  5          !vol=8.77E+07  ppm1      7.657     ppm2      0.705     CV        1

assign      {         256       }
(        segid "   D"         and       resid     22        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
2.737     0.936     1.925     weight    1.000    peak      256       spectrum  5          !vol=9.85E+07  ppm1      8.922     ppm2      0.840     CV        1

assign      {         257       }
(        segid "   D"         and       resid     22        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
2.872     1.031     1.524     weight    1.000    peak      257       spectrum  5          !vol=7.38E+07  ppm1      8.922     ppm2      0.778     CV        1

assign      {         258       }
(        segid "   D"         and       resid     22        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD1#         )
2.960     1.095     1.095     weight    1.000    peak      258       spectrum  5          !vol=6.16E+07  ppm1      8.925     ppm2      0.726     CV        1

assign      {         259       }
(        segid "   D"         and       resid     22        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD2#         )
2.721     0.926     0.926     weight    1.000    peak      259       spectrum  5          !vol=1.02E+08  ppm1      8.924     ppm2      0.705     CV        1


assign      {         261       }
(        segid "   D"         and       resid     24        and       name      HN           )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.581     0.833     2.779     weight    1.000    peak      261       spectrum  5          !vol=1.40E+08  ppm1      7.853     ppm2      1.979     CV        1

assign      {         262       }
(        segid "   D"         and       resid     24        and       name      HN           )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.278     1.343     2.841     weight    1.000    peak      262       spectrum  5          !vol=3.34E+07  ppm1      7.844     ppm2      2.479     CV        1

assign      {         263       }
(        segid "   D"         and       resid     25        and       name      HN           )
(        segid "   B"         and       resid     21        and       name      HD2#         )
3.039     1.154     3.264     weight    1.000    peak      263       spectrum  5          !vol=5.26E+07  ppm1      8.330     ppm2      0.734     CV        1

assign      {         264       }
(        segid "   D"         and       resid     25        and       name      HN           )
(        segid "   B"         and       resid     25        and       name      HD2#         )
3.175     1.260     2.634     weight    1.000    peak      264       spectrum  5          !vol=4.04E+07  ppm1      8.337     ppm2      0.826     CV        1

assign      {         266       }
(        segid "   D"         and       resid     27        and       name      HN           )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.751     0.946     1.397     weight    1.000    peak      266       spectrum  5          !vol=9.56E+07  ppm1      8.550     ppm2      1.978     CV        1

assign      {         267       }
(        segid "   D"         and       resid     27        and       name      HN           )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.471     1.506     2.082     weight    1.000    peak      267       spectrum  5          !vol=2.37E+07  ppm1      8.547     ppm2      2.477     CV        1

assign      {         268       }
(        segid "   D"         and       resid     27        and       name      HN           )
(        segid "   B"         and       resid     31        and       name      HG1#         )
3.373     1.422     3.040     weight    1.000    peak      268       spectrum  5          !vol=2.81E+07  ppm1      8.537     ppm2      0.970     CV        1

assign      {         269       }
(        segid "   D"         and       resid     27        and       name      HN           )
(        segid "   B"         and       resid     36        and       name      HG2#         )
3.426     1.467     2.570     weight    1.000    peak      269       spectrum  5          !vol=2.56E+07  ppm1      8.555     ppm2      0.902     CV        1

assign      {         271       }
(        segid "   D"         and       resid     28        and       name      HN           )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.695     0.908     2.512     weight    1.000    peak      271       spectrum  5          !vol=1.08E+08  ppm1      7.599     ppm2      1.978     CV        1


assign      {         279       }
(        segid "   D"         and       resid     30        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD2#         )
3.394     1.440     3.110     weight    1.000    peak      279       spectrum  5          !vol=2.71E+07  ppm1      7.916     ppm2      0.873     CV        1

assign      {         280       }
(        segid "   D"         and       resid     30        and       name      HN           )
(        segid "   B"         and       resid     31        and       name      HG1#         )
3.107     1.207     2.508     weight    1.000    peak      280       spectrum  5          !vol=4.60E+07  ppm1      7.933     ppm2      0.967     CV        1

assign      {         281       }
(        segid "   D"         and       resid     30        and       name      HN           )
(        segid "   B"         and       resid     35        and       name      HD1#         )
3.035     1.151     3.224     weight    1.000    peak      281       spectrum  5          !vol=5.30E+07  ppm1      7.930     ppm2      1.030     CV        1

assign      {         282       }
(        segid "   D"         and       resid     30        and       name      HN           )
(        segid "   B"         and       resid     35        and       name      HD2#         )
3.189     1.271     2.050     weight    1.000    peak      282       spectrum  5          !vol=3.94E+07  ppm1      7.926     ppm2      0.933     CV        1

assign      {         284       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.415     1.458     2.580     weight    1.000    peak      284       spectrum  5          !vol=2.61E+07  ppm1      7.229     ppm2      0.608     CV        1

assign      {         285       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.136     1.230     3.110     weight    1.000    peak      285       spectrum  5          !vol=4.35E+07  ppm1      7.232     ppm2      0.471     CV        1


assign      {         287       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD2#         )
3.415     1.458     2.580     weight    1.000    peak      287       spectrum  5          !vol=2.61E+07  ppm1      7.233     ppm2      0.870     CV        1

assign      {         288       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     31        and       name      HB           )
3.413     1.456     2.878     weight    1.000    peak      288       spectrum  5          !vol=2.62E+07  ppm1      7.234     ppm2      1.944     CV        1

assign      {         289       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     35        and       name      HD2#         )
3.326     1.383     2.379     weight    1.000    peak      289       spectrum  5          !vol=3.06E+07  ppm1      7.224     ppm2      0.932     CV        1

assign      {         291       }
(        segid "   D"         and       resid     35        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.331     1.387     2.719     weight    1.000    peak      291       spectrum  5          !vol=3.03E+07  ppm1      7.333     ppm2      0.466     CV        1

assign      {         292       }
(        segid "   D"         and       resid     35        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.116     1.214     1.730     weight    1.000    peak      292       spectrum  5          !vol=4.52E+07  ppm1      7.336     ppm2      0.925     CV        1

assign      {         293       }
(        segid "   D"         and       resid     35        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD2#         )
3.463     1.499     2.666     weight    1.000    peak      293       spectrum  5          !vol=2.40E+07  ppm1      7.326     ppm2      0.872     CV        1

assign      {         295       }
(        segid "   D"         and       resid     36        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.322     1.380     2.620     weight    1.000    peak      295       spectrum  5          !vol=3.08E+07  ppm1      7.523     ppm2      0.609     CV        1

assign      {         296       }
(        segid "   D"         and       resid     36        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.070     1.178     1.322     weight    1.000    peak      296       spectrum  5          !vol=4.95E+07  ppm1      7.519     ppm2      0.471     CV        1

assign      {         297       }
(        segid "   D"         and       resid     36        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.312     1.371     1.371     weight    1.000    peak      297       spectrum  5          !vol=3.14E+07  ppm1      7.515     ppm2      0.923     CV        1

assign      {         299       }
(        segid "   D"         and       resid     37        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.428     1.469     1.709     weight    1.000    peak      299       spectrum  5          !vol=2.55E+07  ppm1      8.668     ppm2      0.470     CV        1

assign      {         300       }
(        segid "   D"         and       resid     38        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.360     1.411     2.182     weight    1.000    peak      300       spectrum  5          !vol=2.88E+07  ppm1      7.874     ppm2      0.469     CV        1

assign      {         301       }
(        segid "   D"         and       resid     38        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.333     1.389     2.292     weight    1.000    peak      301       spectrum  5          !vol=3.02E+07  ppm1      7.903     ppm2      0.922     CV        1

assign      {         302       }
(        segid "   D"         and       resid     39        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.248     1.318     2.606     weight    1.000    peak      302       spectrum  5          !vol=3.53E+07  ppm1      8.014     ppm2      0.608     CV        1

assign      {         303       }
(        segid "   D"         and       resid     39        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.700     0.911     1.176     weight    1.000    peak      303       spectrum  5          !vol=1.07E+08  ppm1      8.015     ppm2      0.470     CV        1

assign      {         304       }
(        segid "   D"         and       resid     39        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.083     1.188     1.984     weight    1.000    peak      304       spectrum  5          !vol=4.82E+07  ppm1      8.016     ppm2      0.922     CV        1

assign      {         305       }
(        segid "   D"         and       resid     40        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD1#         )
3.620     1.638     1.638     weight    1.000    peak      305       spectrum  5          !vol=1.84E+07  ppm1      8.748     ppm2      0.617     CV        1

assign      {         306       }
(        segid "   D"         and       resid     40        and       name      HN           )
(        segid "   B"         and       resid     27        and       name      HD2#         )
3.178     1.262     1.262     weight    1.000    peak      306       spectrum  5          !vol=4.02E+07  ppm1      8.751     ppm2      0.471     CV        1

assign      {         307       }
(        segid "   D"         and       resid     40        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD1#         )
3.498     1.530     1.530     weight    1.000    peak      307       spectrum  5          !vol=2.26E+07  ppm1      8.748     ppm2      0.920     CV        1

assign      {         310       }
(        segid "   D"         and       resid     14        and       name      HD22         )
(        segid "   C"         and       resid     25        and       name      HD1#         )
3.278     1.343     1.343     weight    1.000    peak      310       spectrum  5          !vol=3.34E+07  ppm1      6.755     ppm2      0.648     CV        1

assign      {         311       }
(        segid "   D"         and       resid     14        and       name      HD22         )
(        segid "   C"         and       resid     26        and       name      HA           )
3.373     1.422     1.585     weight    1.000    peak      311       spectrum  5          !vol=2.81E+07  ppm1      6.764     ppm2      4.091     CV        1

assign      {         312       }
(        segid "   D"         and       resid     43        and       name      HE21         )
(        segid "   B"         and       resid     19        and       name      HE#          )
3.331     1.387     1.387     weight    1.000    peak      312       spectrum  5          !vol=3.03E+07  ppm1      6.726     ppm2      2.018     CV        1

assign      {         313       }
(        segid "   D"         and       resid     43        and       name      HE22         )
(        segid "   B"         and       resid     19        and       name      HE#          )
3.189     1.271     1.271     weight    1.000    peak      313       spectrum  5          !vol=3.94E+07  ppm1      7.056     ppm2      2.020     CV        1

assign      {         314       }
(        segid "   D"         and       resid     44        and       name      HE22         )
(        segid "   B"         and       resid     19        and       name      HE#          )
3.245     1.316     1.316     weight    1.000    peak      314       spectrum  5          !vol=3.55E+07  ppm1      6.815     ppm2      2.017     CV        1

assign      {         315       }
(        segid "   D"         and       resid     47        and       name      HE22         )
(        segid "   B"         and       resid     22        and       name      HG2          )
3.344     1.398     2.788     weight    1.000    peak      315       spectrum  5          !vol=2.96E+07  ppm1      6.903     ppm2      1.591     CV        1

assign      {         400       }
(        segid "   D"         and       resid     4         and       name      HB#          )
(        segid "   C"         and       resid     8         and       name      HG#          )
3.046     1.160     1.160     weight    1.000    peak      400       spectrum  5          !vol=1.55E+06  ppm1      3.721     ppm2      2.008     CV        1

assign      {         401       }
(        segid "   D"         and       resid     7         and       name      HB2          )
(        segid "   C"         and       resid     9         and       name      HG2#         )
2.740     0.938     3.210     weight    1.000    peak      401       spectrum  5          !vol=2.93E+06  ppm1      1.886     ppm2      0.989     CV        1

assign      {         402       }
(        segid "   D"         and       resid     7         and       name      HD1#         )
(        segid "   C"         and       resid     19        and       name      HB2          )
3.043     1.158     1.158     weight    1.000    peak      402       spectrum  5          !vol=1.56E+06  ppm1      0.841     ppm2      1.692     CV        1

assign      {         403       }
(        segid "   D"         and       resid     7         and       name      HD1#         )
(        segid "   C"         and       resid     19        and       name      HE#          )
2.212     0.611     0.611     weight    1.000    peak      403       spectrum  5          !vol=1.06E+07  ppm1      0.835     ppm2      2.021     CV        1

assign      {         404       }
(        segid "   D"         and       resid     14        and       name      HA           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
2.852     1.016     1.016     weight    1.000    peak      404       spectrum  5          !vol=2.30E+06  ppm1      4.417     ppm2      0.650     CV        1

assign      {         405       }
(        segid "   D"         and       resid     14        and       name      HA           )
(        segid "   C"         and       resid     25        and       name      HD2#         )
3.165     1.252     1.252     weight    1.000    peak      405       spectrum  5          !vol=1.23E+06  ppm1      4.418     ppm2      0.830     CV        1

assign      {         406       }
(        segid "   D"         and       resid     15        and       name      HA           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.078     1.184     1.184     weight    1.000    peak      406       spectrum  5          !vol=1.46E+06  ppm1      3.912     ppm2      0.845     CV        1

assign      {         419       }
(        segid "   D"         and       resid     22        and       name      HA           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
3.351     1.404     1.869     weight    1.000    peak      419       spectrum  5          !vol=8.75E+05  ppm1      3.746     ppm2      0.941     CV        1

assign      {         420       }
(        segid "   D"         and       resid     22        and       name      HA           )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.065     1.174     1.174     weight    1.000    peak      420       spectrum  5          !vol=1.49E+06  ppm1      3.756     ppm2      0.989     CV        1

assign      {         421       }
(        segid "   D"         and       resid     22        and       name      HE1          )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.048     1.161     1.161     weight    1.000    peak      421       spectrum  5          !vol=1.54E+06  ppm1      3.106     ppm2      0.845     CV        1

assign      {         422       }
(        segid "   D"         and       resid     22        and       name      HE1          )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.271     1.338     2.710     weight    1.000    peak      422       spectrum  5          !vol=1.01E+06  ppm1      3.103     ppm2      0.786     CV        1

assign      {         423       }
(        segid "   D"         and       resid     23        and       name      HG2          )
(        segid "   B"         and       resid     28        and       name      HE#          )
2.683     0.900     2.279     weight    1.000    peak      423       spectrum  5          !vol=3.32E+06  ppm1      2.467     ppm2      1.978     CV        1

assign      {         424       }
(        segid "   D"         and       resid     25        and       name      HD1#         )
(        segid "   C"         and       resid     14        and       name      HA           )
3.140     1.232     1.232     weight    1.000    peak      424       spectrum  5          !vol=1.29E+06  ppm1      0.656     ppm2      4.414     CV        1

assign      {         425       }
(        segid "   D"         and       resid     25        and       name      HD2#         )
(        segid "   B"         and       resid     21        and       name      HB1          )
3.036     1.152     1.385     weight    1.000    peak      425       spectrum  5          !vol=1.58E+06  ppm1      0.821     ppm2      1.134     CV        1

assign      {         426       }
(        segid "   D"         and       resid     25        and       name      HD2#         )
(        segid "   B"         and       resid     24        and       name      HA           )
3.439     1.478     1.478     weight    1.000    peak      426       spectrum  5          !vol=7.49E+05  ppm1      0.833     ppm2      4.133     CV        1

assign      {         427       }
(        segid "   D"         and       resid     25        and       name      HD2#         )
(        segid "   B"         and       resid     24        and       name      HB2          )
3.190     1.272     1.272     weight    1.000    peak      427       spectrum  5          !vol=1.18E+06  ppm1      0.836     ppm2      3.886     CV        1

assign      {         428       }
(        segid "   D"         and       resid     25        and       name      HD2#         )
(        segid "   B"         and       resid     24        and       name      HB1          )
3.239     1.312     1.312     weight    1.000    peak      428       spectrum  5          !vol=1.07E+06  ppm1      0.834     ppm2      3.732     CV        1

assign      {         429       }
(        segid "   D"         and       resid     26        and       name      HA           )
(        segid "   C"         and       resid     9         and       name      HG1#         )
3.654     1.669     2.350     weight    1.000    peak      429       spectrum  5          !vol=5.21E+05  ppm1      4.083     ppm2      0.946     CV        1

assign      {         430       }
(        segid "   D"         and       resid     26        and       name      HA           )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.266     1.333     3.023     weight    1.000    peak      430       spectrum  5          !vol=1.02E+06  ppm1      4.082     ppm2      0.989     CV        1

assign      {         431       }
(        segid "   D"         and       resid     26        and       name      HG2          )
(        segid "   C"         and       resid     9         and       name      HG2#         )
3.443     1.481     1.683     weight    1.000    peak      431       spectrum  5          !vol=7.44E+05  ppm1      2.872     ppm2      0.986     CV        1

assign      {         432       }
(        segid "   D"         and       resid     27        and       name      HD2#         )
(        segid "   B"         and       resid     39        and       name      HA           )
3.499     1.530     1.530     weight    1.000    peak      432       spectrum  5          !vol=6.75E+05  ppm1      0.478     ppm2      4.217     CV        1

assign      {         433       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HG2          )
3.387     1.434     1.434     weight    1.000    peak      433       spectrum  5          !vol=8.21E+05  ppm1      1.980     ppm2      2.457     CV        1

assign      {         434       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     23        and       name      HG1          )
3.299     1.361     1.361     weight    1.000    peak      434       spectrum  5          !vol=9.60E+05  ppm1      1.978     ppm2      2.198     CV        1

assign      {         435       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     24        and       name      HA           )
3.474     1.508     1.508     weight    1.000    peak      435       spectrum  5          !vol=7.05E+05  ppm1      1.981     ppm2      4.137     CV        1

assign      {         436       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     24        and       name      HB1          )
3.736     1.744     1.744     weight    1.000    peak      436       spectrum  5          !vol=4.56E+05  ppm1      1.979     ppm2      3.724     CV        1

assign      {         437       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     27        and       name      HD1#         )
2.423     0.734     0.734     weight    1.000    peak      437       spectrum  5          !vol=6.12E+06  ppm1      1.978     ppm2      0.612     CV        1

assign      {         438       }
(        segid "   D"         and       resid     28        and       name      HE#          )
(        segid "   B"         and       resid     27        and       name      HD2#         )
2.828     1.000     1.485     weight    1.000    peak      438       spectrum  5          !vol=2.42E+06  ppm1      1.970     ppm2      0.473     CV        1

assign      {         439       }
(        segid "   D"         and       resid     30        and       name      HD2#         )
(        segid "   B"         and       resid     28        and       name      HG2          )
3.635     1.652     2.506     weight    1.000    peak      439       spectrum  5          !vol=5.37E+05  ppm1      0.873     ppm2      2.697     CV        1

assign      {         440       }
(        segid "   D"         and       resid     30        and       name      HD2#         )
(        segid "   B"         and       resid     28        and       name      HG1          )
3.627     1.644     2.370     weight    1.000    peak      440       spectrum  5          !vol=5.45E+05  ppm1      0.877     ppm2      2.474     CV        1

assign      {         502       }
(        segid "   D"         and       resid     7         and       name      HN           )
(        segid "   C"         and       resid     19        and       name      HE#          )
3.268     1.335     3.230     weight    1.000    peak      502       spectrum  5          !vol=3.40E+07  ppm1      9.225     ppm2      2.018     CV        1

assign      {         503       }
(        segid "   D"         and       resid     8         and       name      HE21         )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.449     0.750     0.913     weight    1.000    peak      503       spectrum  5          !vol=1.92E+08  ppm1      7.299     ppm2      0.851     CV        1

assign      {         504       }
(        segid "   D"         and       resid     8         and       name      HE21         )
(        segid "   A"         and       resid     46        and       name      HD1#         )
3.206     1.285     1.285     weight    1.000    peak      504       spectrum  5          !vol=3.81E+07  ppm1      7.307     ppm2      0.888     CV        1

assign      {         505       }
(        segid "   D"         and       resid     8         and       name      HE21         )
(        segid "   A"         and       resid     48        and       name      HA           )
2.869     1.029     3.249     weight    1.000    peak      505       spectrum  5          !vol=7.43E+07  ppm1      7.263     ppm2      4.173     CV        1

assign      {         506       }
(        segid "   D"         and       resid     8         and       name      HE22         )
(        segid "   C"         and       resid     4         and       name      HG#          )
2.437     0.743     0.743     weight    1.000    peak      506       spectrum  5          !vol=1.98E+08  ppm1      6.792     ppm2      0.851     CV        1

assign      {         508       }
(        segid "   D"         and       resid     8         and       name      HE22         )
(        segid "   A"         and       resid     45        and       name      HD2#         )
2.833     1.003     1.275     weight    1.000    peak      508       spectrum  5          !vol=8.01E+07  ppm1      6.812     ppm2      0.889     CV        1

assign      {         509       }
(        segid "   D"         and       resid     8         and       name      HE22         )
(        segid "   A"         and       resid     46        and       name      HD1#         )
2.863     1.024     1.161     weight    1.000    peak      509       spectrum  5          !vol=7.52E+07  ppm1      6.801     ppm2      0.886     CV        1

assign      {         510       }
(        segid "   D"         and       resid     8         and       name      HE22         )
(        segid "   A"         and       resid     46        and       name      HD2#         )
2.743     0.940     1.064     weight    1.000    peak      510       spectrum  5          !vol=9.73E+07  ppm1      6.780     ppm2      0.850     CV        1


assign      {         512       }
(        segid "   D"         and       resid     9         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD1#         )
3.332     1.387     2.371     weight    1.000    peak      512       spectrum  5          !vol=3.03E+07  ppm1      9.146     ppm2      0.842     CV        1

assign      {         513       }
(        segid "   D"         and       resid     9         and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.264     1.332     1.332     weight    1.000    peak      513       spectrum  5          !vol=3.42E+07  ppm1      9.136     ppm2      0.779     CV        1

assign      {         514       }
(        segid "   D"         and       resid     10        and       name      HN           )
(        segid "   C"         and       resid     7         and       name      HD2#         )
3.391     1.438     3.011     weight    1.000    peak      514       spectrum  5          !vol=2.72E+07  ppm1      9.294     ppm2      0.772     CV        1

assign      {         515       }
(        segid "   D"         and       resid     14        and       name      HD21         )
(        segid "   C"         and       resid     25        and       name      HD2#         )
3.389     1.436     1.436     weight    1.000    peak      515       spectrum  5          !vol=2.73E+07  ppm1      8.015     ppm2      0.829     CV        1

assign      {         516       }
(        segid "   D"         and       resid     14        and       name      HD21         )
(        segid "   C"         and       resid     26        and       name      HA           )
3.366     1.416     1.416     weight    1.000    peak      516       spectrum  5          !vol=2.85E+07  ppm1      8.024     ppm2      4.074     CV        1


assign      {         518       }
(        segid "   D"         and       resid     19        and       name      HN           )
(        segid "   C"         and       resid     25        and       name      HD1#         )
3.441     1.480     2.098     weight    1.000    peak      518       spectrum  5          !vol=2.49E+07  ppm1      8.683     ppm2      0.641     CV        1

assign      {         519       }
(        segid "   D"         and       resid     25        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD1#         )
3.330     1.386     2.670     weight    1.000    peak      519       spectrum  5          !vol=3.04E+07  ppm1      8.338     ppm2      0.723     CV        1

assign      {         520       }
(        segid "   D"         and       resid     25        and       name      HN           )
(        segid "   C"         and       resid     18        and       name      HD2#         )
3.115     1.213     2.158     weight    1.000    peak      520       spectrum  5          !vol=4.53E+07  ppm1      8.330     ppm2      0.707     CV        1

assign      {         522       }
(        segid "   D"         and       resid     31        and       name      HN           )
(        segid "   B"         and       resid     35        and       name      HD1#         )
3.318     1.376     3.180     weight    1.000    peak      522       spectrum  5          !vol=3.11E+07  ppm1      7.230     ppm2      1.027     CV        1

assign      {         524       }
(        segid "   D"         and       resid     39        and       name      HN           )
(        segid "   B"         and       resid     30        and       name      HD2#         )
3.431     1.472     2.570     weight    1.000    peak      524       spectrum  5          !vol=2.54E+07  ppm1      8.017     ppm2      0.868     CV        1

assign      {         526       }
(        segid "   D"         and       resid     47        and       name      HE21         )
(        segid "   B"         and       resid     19        and       name      HE#          )
2.957     1.093     1.199     weight    1.000    peak      526       spectrum  5          !vol=6.20E+07  ppm1      7.571     ppm2      2.017     CV        1

assign      {         527       }
(        segid "   D"         and       resid     47        and       name      HE22         )
(        segid "   A"         and       resid     7         and       name      HD1#         )
3.333     1.388     1.388     weight    1.000    peak      527       spectrum  5          !vol=3.02E+07  ppm1      6.908     ppm2      0.835     CV        1

assign      {         528       }
(        segid "   D"         and       resid     47        and       name      HN           )
(        segid "   B"         and       resid     19        and       name      HE#          )
2.672     0.892     2.976     weight    1.000    peak      528       spectrum  5          !vol=1.14E+08  ppm1      7.927     ppm2      2.016     CV        1
































assign      {         75        }
(        segid "   A"         and       resid     17        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.685     0.901     0.901     weight    1.000    peak      75        spectrum  5         !weight    1.000  vol=3.31E+06  ppm1      3.730     ppm2      0.872     CV        1


assign      {         76        }
(        segid "   A"         and       resid     17        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG12        )
3.754     1.761     1.761     weight    1.000    peak      76        spectrum  5         !weight    1.000  vol=4.43E+05  ppm1      3.737     ppm2      1.782     CV        1


assign      {         77        }
(        segid "   A"         and       resid     17        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.515     1.544     1.544     weight    1.000    peak      77        spectrum  5         !weight    1.000  vol=6.57E+05  ppm1      3.732     ppm2      1.045     CV        1


assign      {         78        }
(        segid "   A"         and       resid     17        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HG2#        )
2.885     1.040     1.040     weight    1.000    peak      78        spectrum  5         !weight    1.000  vol=2.15E+06  ppm1      3.735     ppm2      0.848     CV        1

assign      {         79        }
(        segid "   A"         and       resid     17        and       name      HB          )
(        segid "   D"         and       resid     17        and       name      HG12        )
3.500     1.531     1.788     weight    1.000    peak      79        spectrum  5         !weight    1.000  vol=6.74E+05  ppm1      1.904     ppm2      1.779     CV        1


assign      {         80        }
(        segid "   A"         and       resid     17        and       name      HG12        )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.850     1.016     1.016     weight    1.000    peak      80        spectrum  5         !weight    1.000  vol=2.31E+06  ppm1      1.772     ppm2      0.872     CV        1

assign      {         81        }
(        segid "   A"         and       resid     17        and       name      HG12        )
(        segid "   D"         and       resid     17        and       name      HG12        )
3.560     1.584     1.584     weight    1.000    peak      81        spectrum  5         !weight    1.000  vol=6.09E+05  ppm1      1.790     ppm2      1.776     CV        1


assign      {         82        }
(        segid "   A"         and       resid     17        and       name      HG12        )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.783     1.788     1.788     weight    1.000    peak      82        spectrum  5         !weight    1.000  vol=4.23E+05  ppm1      1.793     ppm2      1.045     CV        1


assign      {         83        }
(        segid "   A"         and       resid     17        and       name      HG11        )
(        segid "   D"         and       resid     17        and       name      HG12        )
3.789     1.794     1.794     weight    1.000    peak      83        spectrum  5         !weight    1.000  vol=4.19E+05  ppm1      1.049     ppm2      1.777     CV        1


assign      {         84        }
(        segid "   A"         and       resid     17        and       name      HG11        )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.762     1.769     1.769     weight    1.000    peak      84        spectrum  5         !weight    1.000  vol=4.37E+05  ppm1      1.040     ppm2      1.040     CV        1


assign      {         88        }
(        segid "   A"         and       resid     20        and       name      HG2         )
(        segid "   D"         and       resid     17        and       name      HD#         )
3.067     1.175     1.175     weight    1.000    peak      88        spectrum  5         !weight    1.000  vol=1.49E+06  ppm1      1.477     ppm2      0.872     CV        1


assign      {         89        }
(        segid "   A"         and       resid     20        and       name      HG1         )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.896     1.048     1.048     weight    1.000    peak      89        spectrum  5         !weight    1.000  vol=2.10E+06  ppm1      1.397     ppm2      0.871     CV        1


assign      {         90        }
(        segid "   A"         and       resid     20        and       name      HD#         )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.494     0.777     0.777     weight    1.000    peak      90        spectrum  5         !weight    1.000  vol=5.15E+06  ppm1      1.647     ppm2      0.872     CV        1


assign      {         91        }
(        segid "   A"         and       resid     20        and       name      HD#         )
(        segid "   D"         and       resid     17        and       name      HG12        )
3.565     1.588     2.221     weight    1.000    peak      91        spectrum  5         !weight    1.000  vol=6.04E+05  ppm1      1.646     ppm2      1.777     CV        1


assign      {         92        }
(        segid "   A"         and       resid     20        and       name      HD#         )
(        segid "   D"         and       resid     17        and       name      HG2#        )
3.162     1.250     1.392     weight    1.000    peak      92        spectrum  5         !weight    1.000  vol=1.24E+06  ppm1      1.644     ppm2      0.848     CV        1


assign      {         232       }
(        segid "   A"         and       resid     17        and       name      HN          )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.780     0.966     2.253     weight    1.000    peak      232       spectrum  5         !weight    1.000  vol=8.97E+07  ppm1      7.654     ppm2      0.867     CV        1


assign      {         233       }
(        segid "   A"         and       resid     17        and       name      HN          )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.381     1.429     1.429     weight    1.000    peak      233       spectrum  5         !weight    1.000  vol=2.77E+07  ppm1      7.649     ppm2      1.037     CV        1


assign      {         234       }
(        segid "   A"         and       resid     17        and       name      HN          )
(        segid "   D"         and       resid     17        and       name      HG2#        )
2.782     0.968     2.778     weight    1.000    peak      234       spectrum  5         !weight    1.000  vol=8.93E+07  ppm1      7.652     ppm2      0.842     CV        1


assign      {         250       }
(        segid "   A"         and       resid     20        and       name      HN          )
(        segid "   D"         and       resid     17        and       name      HD#         )
3.047     1.161     1.161     weight    1.000    peak      250       spectrum  5         !weight    1.000  vol=5.17E+07  ppm1      7.339     ppm2      0.866     CV        1


assign      {         407       }
(        segid "   A"         and       resid     17        and       name      HB          )
(        segid "   D"         and       resid     17        and       name      HG11        )
3.758     1.765     1.765     weight    1.000    peak      407       spectrum  5         !weight    1.000  vol=4.40E+05  ppm1      1.899     ppm2      1.049     CV        1


assign      {         408       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     17        and       name      HG12        )
2.869     1.029     1.029     weight    1.000    peak      408       spectrum  5         !weight    1.000  vol=2.22E+06  ppm1      0.871     ppm2      1.776     CV        1


assign      {         409       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     17        and       name      HG11        )
2.923     1.068     1.068     weight    1.000    peak      409       spectrum  5         !weight    1.000  vol=1.99E+06  ppm1      0.872     ppm2      1.044     CV        1


assign      {         410       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     20        and       name      HA          )
3.624     1.642     1.299     weight    1.000    peak      410       spectrum  5         !weight    1.000  vol=5.47E+05  ppm1      0.860     ppm2      4.086     CV        1


assign      {         411       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     20        and       name      HD#         )
2.396     0.718     0.718     weight    1.000    peak      411       spectrum  5         !weight    1.000  vol=6.55E+06  ppm1      0.865     ppm2      1.644     CV        1


assign      {         412       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     20        and       name      HE2         )
2.637     0.869     0.869     weight    1.000    peak      412       spectrum  5         !weight    1.000  vol=3.68E+06  ppm1      0.856     ppm2      2.890     CV        1


assign      {         413       }
(        segid "   A"         and       resid     17        and       name      HD#         )
(        segid "   D"         and       resid     20        and       name      HE1         )
2.643     0.873     0.873     weight    1.000    peak      413       spectrum  5         !weight    1.000  vol=3.63E+06  ppm1      0.854     ppm2      2.838     CV        1


assign      {         416       }
(        segid "   A"         and       resid     20        and       name      HA          )
(        segid "   D"         and       resid     17        and       name      HD#         )
3.227     1.301     1.301     weight    1.000    peak      416       spectrum  5         !weight    1.000  vol=1.10E+06  ppm1      4.084     ppm2      0.872     CV        1


assign      {         417       }
(        segid "   A"         and       resid     20        and       name      HE2         )
(        segid "   D"         and       resid     17        and       name      HD#         )
2.851     1.016     1.016     weight    1.000    peak      417       spectrum  5         !weight    1.000  vol=2.30E+06  ppm1      2.876     ppm2      0.871     CV        1



assign      {         75        }
(        segid "   B"         and       resid     17        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.685     0.901     0.901     weight    1.000    peak      75        spectrum  5         !weight    1.000  vol=3.31E+06  ppm1      3.730     ppm2      0.872     CV        1


assign      {         76        }
(        segid "   B"         and       resid     17        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG12        )
3.754     1.761     1.761     weight    1.000    peak      76        spectrum  5         !weight    1.000  vol=4.43E+05  ppm1      3.737     ppm2      1.782     CV        1


assign      {         77        }
(        segid "   B"         and       resid     17        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.515     1.544     1.544     weight    1.000    peak      77        spectrum  5         !weight    1.000  vol=6.57E+05  ppm1      3.732     ppm2      1.045     CV        1


assign      {         78        }
(        segid "   B"         and       resid     17        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HG2#        )
2.885     1.040     1.040     weight    1.000    peak      78        spectrum  5         !weight    1.000  vol=2.15E+06  ppm1      3.735     ppm2      0.848     CV        1

assign      {         79        }
(        segid "   B"         and       resid     17        and       name      HB          )
(        segid "   C"         and       resid     17        and       name      HG12        )
3.500     1.531     1.788     weight    1.000    peak      79        spectrum  5         !weight    1.000  vol=6.74E+05  ppm1      1.904     ppm2      1.779     CV        1


assign      {         80        }
(        segid "   B"         and       resid     17        and       name      HG12        )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.850     1.016     1.016     weight    1.000    peak      80        spectrum  5         !weight    1.000  vol=2.31E+06  ppm1      1.772     ppm2      0.872     CV        1

assign      {         81        }
(        segid "   B"         and       resid     17        and       name      HG12        )
(        segid "   C"         and       resid     17        and       name      HG12        )
3.560     1.584     1.584     weight    1.000    peak      81        spectrum  5         !weight    1.000  vol=6.09E+05  ppm1      1.790     ppm2      1.776     CV        1


assign      {         82        }
(        segid "   B"         and       resid     17        and       name      HG12        )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.783     1.788     1.788     weight    1.000    peak      82        spectrum  5         !weight    1.000  vol=4.23E+05  ppm1      1.793     ppm2      1.045     CV        1


assign      {         83        }
(        segid "   B"         and       resid     17        and       name      HG11        )
(        segid "   C"         and       resid     17        and       name      HG12        )
3.789     1.794     1.794     weight    1.000    peak      83        spectrum  5         !weight    1.000  vol=4.19E+05  ppm1      1.049     ppm2      1.777     CV        1


assign      {         84        }
(        segid "   B"         and       resid     17        and       name      HG11        )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.762     1.769     1.769     weight    1.000    peak      84        spectrum  5         !weight    1.000  vol=4.37E+05  ppm1      1.040     ppm2      1.040     CV        1


assign      {         88        }
(        segid "   B"         and       resid     20        and       name      HG2         )
(        segid "   C"         and       resid     17        and       name      HD#         )
3.067     1.175     1.175     weight    1.000    peak      88        spectrum  5         !weight    1.000  vol=1.49E+06  ppm1      1.477     ppm2      0.872     CV        1


assign      {         89        }
(        segid "   B"         and       resid     20        and       name      HG1         )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.896     1.048     1.048     weight    1.000    peak      89        spectrum  5         !weight    1.000  vol=2.10E+06  ppm1      1.397     ppm2      0.871     CV        1


assign      {         90        }
(        segid "   B"         and       resid     20        and       name      HD#         )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.494     0.777     0.777     weight    1.000    peak      90        spectrum  5         !weight    1.000  vol=5.15E+06  ppm1      1.647     ppm2      0.872     CV        1


assign      {         91        }
(        segid "   B"         and       resid     20        and       name      HD#         )
(        segid "   C"         and       resid     17        and       name      HG12        )
3.565     1.588     2.221     weight    1.000    peak      91        spectrum  5         !weight    1.000  vol=6.04E+05  ppm1      1.646     ppm2      1.777     CV        1


assign      {         92        }
(        segid "   B"         and       resid     20        and       name      HD#         )
(        segid "   C"         and       resid     17        and       name      HG2#        )
3.162     1.250     1.392     weight    1.000    peak      92        spectrum  5         !weight    1.000  vol=1.24E+06  ppm1      1.644     ppm2      0.848     CV        1


assign      {         232       }
(        segid "   B"         and       resid     17        and       name      HN          )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.780     0.966     2.253     weight    1.000    peak      232       spectrum  5         !weight    1.000  vol=8.97E+07  ppm1      7.654     ppm2      0.867     CV        1


assign      {         233       }
(        segid "   B"         and       resid     17        and       name      HN          )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.381     1.429     1.429     weight    1.000    peak      233       spectrum  5         !weight    1.000  vol=2.77E+07  ppm1      7.649     ppm2      1.037     CV        1


assign      {         234       }
(        segid "   B"         and       resid     17        and       name      HN          )
(        segid "   C"         and       resid     17        and       name      HG2#        )
2.782     0.968     2.778     weight    1.000    peak      234       spectrum  5         !weight    1.000  vol=8.93E+07  ppm1      7.652     ppm2      0.842     CV        1


assign      {         250       }
(        segid "   B"         and       resid     20        and       name      HN          )
(        segid "   C"         and       resid     17        and       name      HD#         )
3.047     1.161     1.161     weight    1.000    peak      250       spectrum  5         !weight    1.000  vol=5.17E+07  ppm1      7.339     ppm2      0.866     CV        1


assign      {         407       }
(        segid "   B"         and       resid     17        and       name      HB          )
(        segid "   C"         and       resid     17        and       name      HG11        )
3.758     1.765     1.765     weight    1.000    peak      407       spectrum  5         !weight    1.000  vol=4.40E+05  ppm1      1.899     ppm2      1.049     CV        1


assign      {         408       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     17        and       name      HG12        )
2.869     1.029     1.029     weight    1.000    peak      408       spectrum  5         !weight    1.000  vol=2.22E+06  ppm1      0.871     ppm2      1.776     CV        1


assign      {         409       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     17        and       name      HG11        )
2.923     1.068     1.068     weight    1.000    peak      409       spectrum  5         !weight    1.000  vol=1.99E+06  ppm1      0.872     ppm2      1.044     CV        1


assign      {         410       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     20        and       name      HA          )
3.624     1.642     1.642     weight    1.000    peak      410       spectrum  5         !weight    1.000  vol=5.47E+05  ppm1      0.860     ppm2      4.086     CV        1


assign      {         411       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     20        and       name      HD#         )
2.396     0.718     0.718     weight    1.000    peak      411       spectrum  5         !weight    1.000  vol=6.55E+06  ppm1      0.865     ppm2      1.644     CV        1


assign      {         412       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     20        and       name      HE2         )
2.637     0.869     0.869     weight    1.000    peak      412       spectrum  5         !weight    1.000  vol=3.68E+06  ppm1      0.856     ppm2      2.890     CV        1


assign      {         413       }
(        segid "   B"         and       resid     17        and       name      HD#         )
(        segid "   C"         and       resid     20        and       name      HE1         )
2.643     0.873     0.873     weight    1.000    peak      413       spectrum  5         !weight    1.000  vol=3.63E+06  ppm1      0.854     ppm2      2.838     CV        1


assign      {         416       }
(        segid "   B"         and       resid     20        and       name      HA          )
(        segid "   C"         and       resid     17        and       name      HD#         )
3.227     1.301     1.301     weight    1.000    peak      416       spectrum  5         !weight    1.000  vol=1.10E+06  ppm1      4.084     ppm2      0.872     CV        1


assign      {         417       }
(        segid "   B"         and       resid     20        and       name      HE2         )
(        segid "   C"         and       resid     17        and       name      HD#         )
2.851     1.016     1.016     weight    1.000    peak      417       spectrum  5         !weight    1.000  vol=2.30E+06  ppm1      2.876     ppm2      0.871     CV        1




assign      {         75        }
(        segid "   C"         and       resid     17        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.685     0.901     0.901     weight    1.000    peak      75        spectrum  5         !weight    1.000  vol=3.31E+06  ppm1      3.730     ppm2      0.872     CV        1


assign      {         76        }
(        segid "   C"         and       resid     17        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG12        )
3.754     1.761     1.761     weight    1.000    peak      76        spectrum  5         !weight    1.000  vol=4.43E+05  ppm1      3.737     ppm2      1.782     CV        1


assign      {         77        }
(        segid "   C"         and       resid     17        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.515     1.544     1.544     weight    1.000    peak      77        spectrum  5         !weight    1.000  vol=6.57E+05  ppm1      3.732     ppm2      1.045     CV        1


assign      {         78        }
(        segid "   C"         and       resid     17        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HG2#        )
2.885     1.040     1.040     weight    1.000    peak      78        spectrum  5         !weight    1.000  vol=2.15E+06  ppm1      3.735     ppm2      0.848     CV        1

assign      {         79        }
(        segid "   C"         and       resid     17        and       name      HB          )
(        segid "   B"         and       resid     17        and       name      HG12        )
3.500     1.531     1.788     weight    1.000    peak      79        spectrum  5         !weight    1.000  vol=6.74E+05  ppm1      1.904     ppm2      1.779     CV        1


assign      {         80        }
(        segid "   C"         and       resid     17        and       name      HG12        )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.850     1.016     1.016     weight    1.000    peak      80        spectrum  5         !weight    1.000  vol=2.31E+06  ppm1      1.772     ppm2      0.872     CV        1

assign      {         81        }
(        segid "   C"         and       resid     17        and       name      HG12        )
(        segid "   B"         and       resid     17        and       name      HG12        )
3.560     1.584     1.584     weight    1.000    peak      81        spectrum  5         !weight    1.000  vol=6.09E+05  ppm1      1.790     ppm2      1.776     CV        1


assign      {         82        }
(        segid "   C"         and       resid     17        and       name      HG12        )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.783     1.788     1.788     weight    1.000    peak      82        spectrum  5         !weight    1.000  vol=4.23E+05  ppm1      1.793     ppm2      1.045     CV        1


assign      {         83        }
(        segid "   C"         and       resid     17        and       name      HG11        )
(        segid "   B"         and       resid     17        and       name      HG12        )
3.789     1.794     1.794     weight    1.000    peak      83        spectrum  5         !weight    1.000  vol=4.19E+05  ppm1      1.049     ppm2      1.777     CV        1


assign      {         84        }
(        segid "   C"         and       resid     17        and       name      HG11        )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.762     1.769     1.769     weight    1.000    peak      84        spectrum  5         !weight    1.000  vol=4.37E+05  ppm1      1.040     ppm2      1.040     CV        1


assign      {         88        }
(        segid "   C"         and       resid     20        and       name      HG2         )
(        segid "   B"         and       resid     17        and       name      HD#         )
3.067     1.175     1.175     weight    1.000    peak      88        spectrum  5         !weight    1.000  vol=1.49E+06  ppm1      1.477     ppm2      0.872     CV        1


assign      {         89        }
(        segid "   C"         and       resid     20        and       name      HG1         )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.896     1.048     1.048     weight    1.000    peak      89        spectrum  5         !weight    1.000  vol=2.10E+06  ppm1      1.397     ppm2      0.871     CV        1


assign      {         90        }
(        segid "   C"         and       resid     20        and       name      HD#         )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.494     0.777     0.777     weight    1.000    peak      90        spectrum  5         !weight    1.000  vol=5.15E+06  ppm1      1.647     ppm2      0.872     CV        1


assign      {         91        }
(        segid "   C"         and       resid     20        and       name      HD#         )
(        segid "   B"         and       resid     17        and       name      HG12        )
3.565     1.588     2.221     weight    1.000    peak      91        spectrum  5         !weight    1.000  vol=6.04E+05  ppm1      1.646     ppm2      1.777     CV        1


assign      {         92        }
(        segid "   C"         and       resid     20        and       name      HD#         )
(        segid "   B"         and       resid     17        and       name      HG2#        )
3.162     1.250     1.392     weight    1.000    peak      92        spectrum  5         !weight    1.000  vol=1.24E+06  ppm1      1.644     ppm2      0.848     CV        1


assign      {         232       }
(        segid "   C"         and       resid     17        and       name      HN          )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.780     0.966     2.253     weight    1.000    peak      232       spectrum  5         !weight    1.000  vol=8.97E+07  ppm1      7.654     ppm2      0.867     CV        1


assign      {         233       }
(        segid "   C"         and       resid     17        and       name      HN          )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.381     1.429     1.429     weight    1.000    peak      233       spectrum  5         !weight    1.000  vol=2.77E+07  ppm1      7.649     ppm2      1.037     CV        1


assign      {         234       }
(        segid "   C"         and       resid     17        and       name      HN          )
(        segid "   B"         and       resid     17        and       name      HG2#        )
2.782     0.968     2.778     weight    1.000    peak      234       spectrum  5         !weight    1.000  vol=8.93E+07  ppm1      7.652     ppm2      0.842     CV        1


assign      {         250       }
(        segid "   C"         and       resid     20        and       name      HN          )
(        segid "   B"         and       resid     17        and       name      HD#         )
3.047     1.161     1.161     weight    1.000    peak      250       spectrum  5         !weight    1.000  vol=5.17E+07  ppm1      7.339     ppm2      0.866     CV        1


assign      {         407       }
(        segid "   C"         and       resid     17        and       name      HB          )
(        segid "   B"         and       resid     17        and       name      HG11        )
3.758     1.765     1.765     weight    1.000    peak      407       spectrum  5         !weight    1.000  vol=4.40E+05  ppm1      1.899     ppm2      1.049     CV        1


assign      {         408       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     17        and       name      HG12        )
2.869     1.029     1.029     weight    1.000    peak      408       spectrum  5         !weight    1.000  vol=2.22E+06  ppm1      0.871     ppm2      1.776     CV        1


assign      {         409       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     17        and       name      HG11        )
2.923     1.068     1.068     weight    1.000    peak      409       spectrum  5         !weight    1.000  vol=1.99E+06  ppm1      0.872     ppm2      1.044     CV        1


assign      {         410       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     20        and       name      HA          )
3.624     1.642     1.642     weight    1.000    peak      410       spectrum  5         !weight    1.000  vol=5.47E+05  ppm1      0.860     ppm2      4.086     CV        1


assign      {         411       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     20        and       name      HD#         )
2.396     0.718     0.718     weight    1.000    peak      411       spectrum  5         !weight    1.000  vol=6.55E+06  ppm1      0.865     ppm2      1.644     CV        1


assign      {         412       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     20        and       name      HE2         )
2.637     0.869     0.869     weight    1.000    peak      412       spectrum  5         !weight    1.000  vol=3.68E+06  ppm1      0.856     ppm2      2.890     CV        1


assign      {         413       }
(        segid "   C"         and       resid     17        and       name      HD#         )
(        segid "   B"         and       resid     20        and       name      HE1         )
2.643     0.873     0.873     weight    1.000    peak      413       spectrum  5         !weight    1.000  vol=3.63E+06  ppm1      0.854     ppm2      2.838     CV        1


assign      {         416       }
(        segid "   C"         and       resid     20        and       name      HA          )
(        segid "   B"         and       resid     17        and       name      HD#         )
3.227     1.301     1.301     weight    1.000    peak      416       spectrum  5         !weight    1.000  vol=1.10E+06  ppm1      4.084     ppm2      0.872     CV        1


assign      {         417       }
(        segid "   C"         and       resid     20        and       name      HE2         )
(        segid "   B"         and       resid     17        and       name      HD#         )
2.851     1.016     1.016     weight    1.000    peak      417       spectrum  5         !weight    1.000  vol=2.30E+06  ppm1      2.876     ppm2      0.871     CV        1





assign      {         75        }
(        segid "   D"         and       resid     17        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.685     0.901     0.901     weight    1.000    peak      75        spectrum  5         !weight    1.000  vol=3.31E+06  ppm1      3.730     ppm2      0.872     CV        1


assign      {         76        }
(        segid "   D"         and       resid     17        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG12        )
3.754     1.761     1.761     weight    1.000    peak      76        spectrum  5         !weight    1.000  vol=4.43E+05  ppm1      3.737     ppm2      1.782     CV        1


assign      {         77        }
(        segid "   D"         and       resid     17        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.515     1.544     1.544     weight    1.000    peak      77        spectrum  5         !weight    1.000  vol=6.57E+05  ppm1      3.732     ppm2      1.045     CV        1


assign      {         78        }
(        segid "   D"         and       resid     17        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HG2#        )
2.885     1.040     1.040     weight    1.000    peak      78        spectrum  5         !weight    1.000  vol=2.15E+06  ppm1      3.735     ppm2      0.848     CV        1

assign      {         79        }
(        segid "   D"         and       resid     17        and       name      HB          )
(        segid "   A"         and       resid     17        and       name      HG12        )
3.500     1.531     1.788     weight    1.000    peak      79        spectrum  5         !weight    1.000  vol=6.74E+05  ppm1      1.904     ppm2      1.779     CV        1


assign      {         80        }
(        segid "   D"         and       resid     17        and       name      HG12        )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.850     1.016     1.016     weight    1.000    peak      80        spectrum  5         !weight    1.000  vol=2.31E+06  ppm1      1.772     ppm2      0.872     CV        1

assign      {         81        }
(        segid "   D"         and       resid     17        and       name      HG12        )
(        segid "   A"         and       resid     17        and       name      HG12        )
3.560     1.584     1.584     weight    1.000    peak      81        spectrum  5         !weight    1.000  vol=6.09E+05  ppm1      1.790     ppm2      1.776     CV        1


assign      {         82        }
(        segid "   D"         and       resid     17        and       name      HG12        )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.783     1.788     1.788     weight    1.000    peak      82        spectrum  5         !weight    1.000  vol=4.23E+05  ppm1      1.793     ppm2      1.045     CV        1


assign      {         83        }
(        segid "   D"         and       resid     17        and       name      HG11        )
(        segid "   A"         and       resid     17        and       name      HG12        )
3.789     1.794     1.794     weight    1.000    peak      83        spectrum  5         !weight    1.000  vol=4.19E+05  ppm1      1.049     ppm2      1.777     CV        1


assign      {         84        }
(        segid "   D"         and       resid     17        and       name      HG11        )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.762     1.769     1.769     weight    1.000    peak      84        spectrum  5         !weight    1.000  vol=4.37E+05  ppm1      1.040     ppm2      1.040     CV        1


assign      {         88        }
(        segid "   D"         and       resid     20        and       name      HG2         )
(        segid "   A"         and       resid     17        and       name      HD#         )
3.067     1.175     1.175     weight    1.000    peak      88        spectrum  5         !weight    1.000  vol=1.49E+06  ppm1      1.477     ppm2      0.872     CV        1


assign      {         89        }
(        segid "   D"         and       resid     20        and       name      HG1         )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.896     1.048     1.048     weight    1.000    peak      89        spectrum  5         !weight    1.000  vol=2.10E+06  ppm1      1.397     ppm2      0.871     CV        1


assign      {         90        }
(        segid "   D"         and       resid     20        and       name      HD#         )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.494     0.777     0.777     weight    1.000    peak      90        spectrum  5         !weight    1.000  vol=5.15E+06  ppm1      1.647     ppm2      0.872     CV        1


assign      {         91        }
(        segid "   D"         and       resid     20        and       name      HD#         )
(        segid "   A"         and       resid     17        and       name      HG12        )
3.565     1.588     2.221     weight    1.000    peak      91        spectrum  5         !weight    1.000  vol=6.04E+05  ppm1      1.646     ppm2      1.777     CV        1


assign      {         92        }
(        segid "   D"         and       resid     20        and       name      HD#         )
(        segid "   A"         and       resid     17        and       name      HG2#        )
3.162     1.250     1.392     weight    1.000    peak      92        spectrum  5         !weight    1.000  vol=1.24E+06  ppm1      1.644     ppm2      0.848     CV        1


assign      {         232       }
(        segid "   D"         and       resid     17        and       name      HN          )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.780     0.966     2.253     weight    1.000    peak      232       spectrum  5         !weight    1.000  vol=8.97E+07  ppm1      7.654     ppm2      0.867     CV        1


assign      {         233       }
(        segid "   D"         and       resid     17        and       name      HN          )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.381     1.429     1.429     weight    1.000    peak      233       spectrum  5         !weight    1.000  vol=2.77E+07  ppm1      7.649     ppm2      1.037     CV        1


assign      {         234       }
(        segid "   D"         and       resid     17        and       name      HN          )
(        segid "   A"         and       resid     17        and       name      HG2#        )
2.782     0.968     2.778     weight    1.000    peak      234       spectrum  5         !weight    1.000  vol=8.93E+07  ppm1      7.652     ppm2      0.842     CV        1


assign      {         250       }
(        segid "   D"         and       resid     20        and       name      HN          )
(        segid "   A"         and       resid     17        and       name      HD#         )
3.047     1.161     1.161     weight    1.000    peak      250       spectrum  5         !weight    1.000  vol=5.17E+07  ppm1      7.339     ppm2      0.866     CV        1


assign      {         407       }
(        segid "   D"         and       resid     17        and       name      HB          )
(        segid "   A"         and       resid     17        and       name      HG11        )
3.758     1.765     1.765     weight    1.000    peak      407       spectrum  5         !weight    1.000  vol=4.40E+05  ppm1      1.899     ppm2      1.049     CV        1


assign      {         408       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     17        and       name      HG12        )
2.869     1.029     1.029     weight    1.000    peak      408       spectrum  5         !weight    1.000  vol=2.22E+06  ppm1      0.871     ppm2      1.776     CV        1


assign      {         409       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     17        and       name      HG11        )
2.923     1.068     1.068     weight    1.000    peak      409       spectrum  5         !weight    1.000  vol=1.99E+06  ppm1      0.872     ppm2      1.044     CV        1


assign      {         410       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     20        and       name      HA          )
3.624     1.642     1.642     weight    1.000    peak      410       spectrum  5         !weight    1.000  vol=5.47E+05  ppm1      0.860     ppm2      4.086     CV        1


assign      {         411       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     20        and       name      HD#         )
2.396     0.718     0.718     weight    1.000    peak      411       spectrum  5         !weight    1.000  vol=6.55E+06  ppm1      0.865     ppm2      1.644     CV        1


assign      {         412       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     20        and       name      HE2         )
2.637     0.869     0.869     weight    1.000    peak      412       spectrum  5         !weight    1.000  vol=3.68E+06  ppm1      0.856     ppm2      2.890     CV        1


assign      {         413       }
(        segid "   D"         and       resid     17        and       name      HD#         )
(        segid "   A"         and       resid     20        and       name      HE1         )
2.643     0.873     0.873     weight    1.000    peak      413       spectrum  5         !weight    1.000  vol=3.63E+06  ppm1      0.854     ppm2      2.838     CV        1


assign      {         416       }
(        segid "   D"         and       resid     20        and       name      HA          )
(        segid "   A"         and       resid     17        and       name      HD#         )
3.227     1.301     1.301     weight    1.000    peak      416       spectrum  5         !weight    1.000  vol=1.10E+06  ppm1      4.084     ppm2      0.872     CV        1


assign      {         417       }
(        segid "   D"         and       resid     20        and       name      HE2         )
(        segid "   A"         and       resid     17        and       name      HD#         )
2.851     1.016     1.016     weight    1.000    peak      417       spectrum  5         !weight    1.000  vol=2.30E+06  ppm1      2.876     ppm2      0.871     CV        1


assign    {         901       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     23        and       name      HG2          )
5.034     1.466     1.466     weight    1.000 spectrum  6  peak  901
assign    {         901       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     23        and       name      HG2          )
5.034     1.466     1.466     weight    1.000 spectrum  6  peak  901
assign    {         901       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     23        and       name      HG2          )
5.034     1.466     1.466     weight    1.000 spectrum  6  peak  901
assign    {         901       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     23        and       name      HG2          )
5.034     1.466     1.466     weight    1.000 spectrum  6  peak  901

assign    {         903       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     36        and       name      HG1#         )
3.567     1.590     1.590     weight    1.000 spectrum  6  peak  903
assign    {         903       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     36        and       name      HG1#         )
3.567     1.590     1.590     weight    1.000 spectrum  6  peak  903
assign    {         903       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     36        and       name      HG1#         )
3.567     1.590     1.590     weight    1.000 spectrum  6  peak  903
assign    {         903       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     36        and       name      HG1#         )
3.567     1.590     1.590     weight    1.000 spectrum  6  peak  903

assign    {         904       }
(        segid "   A"        and       resid     40        and       name      HE           )
(        segid "   A"        and       resid     37        and       name      HA           )
4.943     1.557     1.557     weight    1.000 spectrum  6  peak  904
assign    {         904       }
(        segid "   B"        and       resid     40        and       name      HE           )
(        segid "   B"        and       resid     37        and       name      HA           )
4.943     1.557     1.557     weight    1.000 spectrum  6  peak  904
assign    {         904       }
(        segid "   C"        and       resid     40        and       name      HE           )
(        segid "   C"        and       resid     37        and       name      HA           )
4.943     1.557     1.557     weight    1.000 spectrum  6  peak  904
assign    {         904       }
(        segid "   D"        and       resid     40        and       name      HE           )
(        segid "   D"        and       resid     37        and       name      HA           )
4.943     1.557     1.557     weight    1.000 spectrum  6  peak  904































assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 5 and name N) (segid "   A" and resid 5 and name HN) 3.275 0.096    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 6 and name N) (segid "   A" and resid 6 and name HN) -3.125 0.116    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 7 and name N) (segid "   A" and resid 7 and name HN) -5.450 0.108    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 8 and name N) (segid "   A" and resid 8 and name HN) -4.840 0.162    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 9 and name N) (segid "   A" and resid 9 and name HN) 0.325 0.210    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 10 and name N) (segid "   A" and resid 10 and name HN) 0.430 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 11 and name N) (segid "   A" and resid 11 and name HN) 9.805 0.227    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 12 and name N) (segid "   A" and resid 12 and name HN) -3.365 0.354    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 13 and name N) (segid "   A" and resid 13 and name HN) -4.465 0.276    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 14 and name N) (segid "   A" and resid 14 and name HN) -0.365 0.357    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 15 and name N) (segid "   A" and resid 15 and name HN) -3.360 0.130    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 16 and name N) (segid "   A" and resid 16 and name HN) -5.090 0.439    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 17 and name N) (segid "   A" and resid 17 and name HN) -3.920 0.156    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 18 and name N) (segid "   A" and resid 18 and name HN) -0.665 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 19 and name N) (segid "   A" and resid 19 and name HN) -4.965 0.045    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 20 and name N) (segid "   A" and resid 20 and name HN) -5.170 0.220    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 21 and name N) (segid "   A" and resid 21 and name HN) -3.790 0.050    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 22 and name N) (segid "   A" and resid 22 and name HN) -4.120 0.269    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 24 and name N) (segid "   A" and resid 24 and name HN) -5.500 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 25 and name N) (segid "   A" and resid 25 and name HN) -3.470 0.126    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 26 and name N) (segid "   A" and resid 26 and name HN) -5.510 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 27 and name N) (segid "   A" and resid 27 and name HN) -4.830 0.157    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 28 and name N) (segid "   A" and resid 28 and name HN) -4.755 0.139    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 29 and name N) (segid "   A" and resid 29 and name HN) 0.565 0.055    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 31 and name N) (segid "   A" and resid 31 and name HN) -5.300 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 33 and name N) (segid "   A" and resid 33 and name HN) 5.930 0.302    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 35 and name N) (segid "   A" and resid 35 and name HN) 10.840 0.224    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 36 and name N) (segid "   A" and resid 36 and name HN) 3.555 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 37 and name N) (segid "   A" and resid 37 and name HN) 2.425 0.249    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 38 and name N) (segid "   A" and resid 38 and name HN) 4.850 0.092    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 39 and name N) (segid "   A" and resid 39 and name HN) 8.590 0.140    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 40 and name N) (segid "   A" and resid 40 and name HN) 4.340 0.306    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 41 and name N) (segid "   A" and resid 41 and name HN) 1.625 0.218    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 5 and name N) (segid "   B" and resid 5 and name HN) 3.275 0.096    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 6 and name N) (segid "   B" and resid 6 and name HN) -3.125 0.116    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 7 and name N) (segid "   B" and resid 7 and name HN) -5.450 0.108    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 8 and name N) (segid "   B" and resid 8 and name HN) -4.840 0.162    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 9 and name N) (segid "   B" and resid 9 and name HN) 0.325 0.210    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 10 and name N) (segid "   B" and resid 10 and name HN) 0.430 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 11 and name N) (segid "   B" and resid 11 and name HN) 9.805 0.227    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 12 and name N) (segid "   B" and resid 12 and name HN) -3.365 0.354    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 13 and name N) (segid "   B" and resid 13 and name HN) -4.465 0.276    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 14 and name N) (segid "   B" and resid 14 and name HN) -0.365 0.357    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 15 and name N) (segid "   B" and resid 15 and name HN) -3.360 0.130    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 16 and name N) (segid "   B" and resid 16 and name HN) -5.090 0.439    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 17 and name N) (segid "   B" and resid 17 and name HN) -3.920 0.156    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 18 and name N) (segid "   B" and resid 18 and name HN) -0.665 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 19 and name N) (segid "   B" and resid 19 and name HN) -4.965 0.045    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 20 and name N) (segid "   B" and resid 20 and name HN) -5.170 0.220    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 21 and name N) (segid "   B" and resid 21 and name HN) -3.790 0.050    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 22 and name N) (segid "   B" and resid 22 and name HN) -4.120 0.269    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 24 and name N) (segid "   B" and resid 24 and name HN) -5.500 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 25 and name N) (segid "   B" and resid 25 and name HN) -3.470 0.126    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 26 and name N) (segid "   B" and resid 26 and name HN) -5.510 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 27 and name N) (segid "   B" and resid 27 and name HN) -4.830 0.157    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 28 and name N) (segid "   B" and resid 28 and name HN) -4.755 0.139    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 29 and name N) (segid "   B" and resid 29 and name HN) 0.565 0.055    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 31 and name N) (segid "   B" and resid 31 and name HN) -5.300 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 33 and name N) (segid "   B" and resid 33 and name HN) 5.930 0.302    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 35 and name N) (segid "   B" and resid 35 and name HN) 10.840 0.224    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 36 and name N) (segid "   B" and resid 36 and name HN) 3.555 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 37 and name N) (segid "   B" and resid 37 and name HN) 2.425 0.249    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 38 and name N) (segid "   B" and resid 38 and name HN) 4.850 0.092    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 39 and name N) (segid "   B" and resid 39 and name HN) 8.590 0.140    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 40 and name N) (segid "   B" and resid 40 and name HN) 4.340 0.306    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 41 and name N) (segid "   B" and resid 41 and name HN) 1.625 0.218    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 5 and name N) (segid "   C" and resid 5 and name HN) 3.275 0.096    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 6 and name N) (segid "   C" and resid 6 and name HN) -3.125 0.116    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 7 and name N) (segid "   C" and resid 7 and name HN) -5.450 0.108    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 8 and name N) (segid "   C" and resid 8 and name HN) -4.840 0.162    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 9 and name N) (segid "   C" and resid 9 and name HN) 0.325 0.210    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 10 and name N) (segid "   C" and resid 10 and name HN) 0.430 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 11 and name N) (segid "   C" and resid 11 and name HN) 9.805 0.227    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 12 and name N) (segid "   C" and resid 12 and name HN) -3.365 0.354    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 13 and name N) (segid "   C" and resid 13 and name HN) -4.465 0.276    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 14 and name N) (segid "   C" and resid 14 and name HN) -0.365 0.357    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 15 and name N) (segid "   C" and resid 15 and name HN) -3.360 0.130    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 16 and name N) (segid "   C" and resid 16 and name HN) -5.090 0.439    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 17 and name N) (segid "   C" and resid 17 and name HN) -3.920 0.156    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 18 and name N) (segid "   C" and resid 18 and name HN) -0.665 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 19 and name N) (segid "   C" and resid 19 and name HN) -4.965 0.045    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 20 and name N) (segid "   C" and resid 20 and name HN) -5.170 0.220    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 21 and name N) (segid "   C" and resid 21 and name HN) -3.790 0.050    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 22 and name N) (segid "   C" and resid 22 and name HN) -4.120 0.269    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 24 and name N) (segid "   C" and resid 24 and name HN) -5.500 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 25 and name N) (segid "   C" and resid 25 and name HN) -3.470 0.126    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 26 and name N) (segid "   C" and resid 26 and name HN) -5.510 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 27 and name N) (segid "   C" and resid 27 and name HN) -4.830 0.157    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 28 and name N) (segid "   C" and resid 28 and name HN) -4.755 0.139    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 29 and name N) (segid "   C" and resid 29 and name HN) 0.565 0.055    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 31 and name N) (segid "   C" and resid 31 and name HN) -5.300 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 33 and name N) (segid "   C" and resid 33 and name HN) 5.930 0.302    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 35 and name N) (segid "   C" and resid 35 and name HN) 10.840 0.224    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 36 and name N) (segid "   C" and resid 36 and name HN) 3.555 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 37 and name N) (segid "   C" and resid 37 and name HN) 2.425 0.249    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 38 and name N) (segid "   C" and resid 38 and name HN) 4.850 0.092    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 39 and name N) (segid "   C" and resid 39 and name HN) 8.590 0.140    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 40 and name N) (segid "   C" and resid 40 and name HN) 4.340 0.306    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 41 and name N) (segid "   C" and resid 41 and name HN) 1.625 0.218    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 5 and name N) (segid "   D" and resid 5 and name HN) 3.275 0.096    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 6 and name N) (segid "   D" and resid 6 and name HN) -3.125 0.116    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 7 and name N) (segid "   D" and resid 7 and name HN) -5.450 0.108    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 8 and name N) (segid "   D" and resid 8 and name HN) -4.840 0.162    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 9 and name N) (segid "   D" and resid 9 and name HN) 0.325 0.210    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 10 and name N) (segid "   D" and resid 10 and name HN) 0.430 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 11 and name N) (segid "   D" and resid 11 and name HN) 9.805 0.227    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 12 and name N) (segid "   D" and resid 12 and name HN) -3.365 0.354    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 13 and name N) (segid "   D" and resid 13 and name HN) -4.465 0.276    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 14 and name N) (segid "   D" and resid 14 and name HN) -0.365 0.357    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 15 and name N) (segid "   D" and resid 15 and name HN) -3.360 0.130    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 16 and name N) (segid "   D" and resid 16 and name HN) -5.090 0.439    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 17 and name N) (segid "   D" and resid 17 and name HN) -3.920 0.156    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 18 and name N) (segid "   D" and resid 18 and name HN) -0.665 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 19 and name N) (segid "   D" and resid 19 and name HN) -4.965 0.045    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 20 and name N) (segid "   D" and resid 20 and name HN) -5.170 0.220    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 21 and name N) (segid "   D" and resid 21 and name HN) -3.790 0.050    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 22 and name N) (segid "   D" and resid 22 and name HN) -4.120 0.269    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 24 and name N) (segid "   D" and resid 24 and name HN) -5.500 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 25 and name N) (segid "   D" and resid 25 and name HN) -3.470 0.126    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 26 and name N) (segid "   D" and resid 26 and name HN) -5.510 0.191    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 27 and name N) (segid "   D" and resid 27 and name HN) -4.830 0.157    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 28 and name N) (segid "   D" and resid 28 and name HN) -4.755 0.139    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 29 and name N) (segid "   D" and resid 29 and name HN) 0.565 0.055    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 31 and name N) (segid "   D" and resid 31 and name HN) -5.300 0.202    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 33 and name N) (segid "   D" and resid 33 and name HN) 5.930 0.302    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 35 and name N) (segid "   D" and resid 35 and name HN) 10.840 0.224    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 36 and name N) (segid "   D" and resid 36 and name HN) 3.555 0.105    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 37 and name N) (segid "   D" and resid 37 and name HN) 2.425 0.249    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 38 and name N) (segid "   D" and resid 38 and name HN) 4.850 0.092    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 39 and name N) (segid "   D" and resid 39 and name HN) 8.590 0.140    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 40 and name N) (segid "   D" and resid 40 and name HN) 4.340 0.306    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 41 and name N) (segid "   D" and resid 41 and name HN) 1.625 0.218    
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 4 and name C) (segid "   A" and resid 5 and name HN) -1.200 0.227     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 5 and name C) (segid "   A" and resid 6 and name HN) 0.705 0.229     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 6 and name C) (segid "   A" and resid 7 and name HN) 0.850 0.222     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 7 and name C) (segid "   A" and resid 8 and name HN) 1.480 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 8 and name C) (segid "   A" and resid 9 and name HN) 1.495 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 9 and name C) (segid "   A" and resid 10 and name HN) 0.275 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 10 and name C) (segid "   A" and resid 11 and name HN) -0.610 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 11 and name C) (segid "   A" and resid 12 and name HN) 2.300 0.326     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 12 and name C) (segid "   A" and resid 13 and name HN) 0.550 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 13 and name C) (segid "   A" and resid 14 and name HN) 0.385 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 14 and name C) (segid "   A" and resid 15 and name HN) -1.095 0.435     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 15 and name C) (segid "   A" and resid 16 and name HN) 1.575 0.225     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 16 and name C) (segid "   A" and resid 17 and name HN) 1.020 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 17 and name C) (segid "   A" and resid 18 and name HN) -0.580 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 18 and name C) (segid "   A" and resid 19 and name HN) 0.950 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 19 and name C) (segid "   A" and resid 20 and name HN) -0.845 0.274     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 20 and name C) (segid "   A" and resid 21 and name HN) 0.125 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 21 and name C) (segid "   A" and resid 22 and name HN) -1.360 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 23 and name C) (segid "   A" and resid 24 and name HN) -0.340 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 25 and name C) (segid "   A" and resid 26 and name HN) -0.255 0.301     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 26 and name C) (segid "   A" and resid 27 and name HN) 0.970 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 27 and name C) (segid "   A" and resid 28 and name HN) 1.265 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 28 and name C) (segid "   A" and resid 29 and name HN) -2.770 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 30 and name C) (segid "   A" and resid 31 and name HN) 0.440 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 32 and name C) (segid "   A" and resid 33 and name HN) 0.370 0.236     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 34 and name C) (segid "   A" and resid 35 and name HN) -1.655 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 35 and name C) (segid "   A" and resid 36 and name HN) -1.345 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 36 and name C) (segid "   A" and resid 37 and name HN) 1.080 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 37 and name C) (segid "   A" and resid 38 and name HN) 0.985 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 38 and name C) (segid "   A" and resid 39 and name HN) -2.745 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 39 and name C) (segid "   A" and resid 40 and name HN) -0.610 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 40 and name C) (segid "   A" and resid 41 and name HN) 1.235 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 4 and name C) (segid "   B" and resid 5 and name HN) -1.200 0.227     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 5 and name C) (segid "   B" and resid 6 and name HN) 0.705 0.229     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 6 and name C) (segid "   B" and resid 7 and name HN) 0.850 0.222     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 7 and name C) (segid "   B" and resid 8 and name HN) 1.480 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 8 and name C) (segid "   B" and resid 9 and name HN) 1.495 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 9 and name C) (segid "   B" and resid 10 and name HN) 0.275 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 10 and name C) (segid "   B" and resid 11 and name HN) -0.610 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 11 and name C) (segid "   B" and resid 12 and name HN) 2.300 0.326     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 12 and name C) (segid "   B" and resid 13 and name HN) 0.550 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 13 and name C) (segid "   B" and resid 14 and name HN) 0.385 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 14 and name C) (segid "   B" and resid 15 and name HN) -1.095 0.435     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 15 and name C) (segid "   B" and resid 16 and name HN) 1.575 0.225     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 16 and name C) (segid "   B" and resid 17 and name HN) 1.020 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 17 and name C) (segid "   B" and resid 18 and name HN) -0.580 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 18 and name C) (segid "   B" and resid 19 and name HN) 0.950 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 19 and name C) (segid "   B" and resid 20 and name HN) -0.845 0.274     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 20 and name C) (segid "   B" and resid 21 and name HN) 0.125 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 21 and name C) (segid "   B" and resid 22 and name HN) -1.360 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 23 and name C) (segid "   B" and resid 24 and name HN) -0.340 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 25 and name C) (segid "   B" and resid 26 and name HN) -0.255 0.301     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 26 and name C) (segid "   B" and resid 27 and name HN) 0.970 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 27 and name C) (segid "   B" and resid 28 and name HN) 1.265 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 28 and name C) (segid "   B" and resid 29 and name HN) -2.770 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 30 and name C) (segid "   B" and resid 31 and name HN) 0.440 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 32 and name C) (segid "   B" and resid 33 and name HN) 0.370 0.236     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 34 and name C) (segid "   B" and resid 35 and name HN) -1.655 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 35 and name C) (segid "   B" and resid 36 and name HN) -1.345 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 36 and name C) (segid "   B" and resid 37 and name HN) 1.080 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 37 and name C) (segid "   B" and resid 38 and name HN) 0.985 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 38 and name C) (segid "   B" and resid 39 and name HN) -2.745 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 39 and name C) (segid "   B" and resid 40 and name HN) -0.610 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 40 and name C) (segid "   B" and resid 41 and name HN) 1.235 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 4 and name C) (segid "   C" and resid 5 and name HN) -1.200 0.227     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 5 and name C) (segid "   C" and resid 6 and name HN) 0.705 0.229     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 6 and name C) (segid "   C" and resid 7 and name HN) 0.850 0.222     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 7 and name C) (segid "   C" and resid 8 and name HN) 1.480 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 8 and name C) (segid "   C" and resid 9 and name HN) 1.495 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 9 and name C) (segid "   C" and resid 10 and name HN) 0.275 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 10 and name C) (segid "   C" and resid 11 and name HN) -0.610 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 11 and name C) (segid "   C" and resid 12 and name HN) 2.300 0.326     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 12 and name C) (segid "   C" and resid 13 and name HN) 0.550 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 13 and name C) (segid "   C" and resid 14 and name HN) 0.385 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 14 and name C) (segid "   C" and resid 15 and name HN) -1.095 0.435     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 15 and name C) (segid "   C" and resid 16 and name HN) 1.575 0.225     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 16 and name C) (segid "   C" and resid 17 and name HN) 1.020 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 17 and name C) (segid "   C" and resid 18 and name HN) -0.580 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 18 and name C) (segid "   C" and resid 19 and name HN) 0.950 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 19 and name C) (segid "   C" and resid 20 and name HN) -0.845 0.274     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 20 and name C) (segid "   C" and resid 21 and name HN) 0.125 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 21 and name C) (segid "   C" and resid 22 and name HN) -1.360 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 23 and name C) (segid "   C" and resid 24 and name HN) -0.340 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 25 and name C) (segid "   C" and resid 26 and name HN) -0.255 0.301     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 26 and name C) (segid "   C" and resid 27 and name HN) 0.970 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 27 and name C) (segid "   C" and resid 28 and name HN) 1.265 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 28 and name C) (segid "   C" and resid 29 and name HN) -2.770 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 30 and name C) (segid "   C" and resid 31 and name HN) 0.440 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 32 and name C) (segid "   C" and resid 33 and name HN) 0.370 0.236     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 34 and name C) (segid "   C" and resid 35 and name HN) -1.655 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 35 and name C) (segid "   C" and resid 36 and name HN) -1.345 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 36 and name C) (segid "   C" and resid 37 and name HN) 1.080 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 37 and name C) (segid "   C" and resid 38 and name HN) 0.985 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 38 and name C) (segid "   C" and resid 39 and name HN) -2.745 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 39 and name C) (segid "   C" and resid 40 and name HN) -0.610 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 40 and name C) (segid "   C" and resid 41 and name HN) 1.235 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 4 and name C) (segid "   D" and resid 5 and name HN) -1.200 0.227     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 5 and name C) (segid "   D" and resid 6 and name HN) 0.705 0.229     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 6 and name C) (segid "   D" and resid 7 and name HN) 0.850 0.222     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 7 and name C) (segid "   D" and resid 8 and name HN) 1.480 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 8 and name C) (segid "   D" and resid 9 and name HN) 1.495 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 9 and name C) (segid "   D" and resid 10 and name HN) 0.275 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 10 and name C) (segid "   D" and resid 11 and name HN) -0.610 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 11 and name C) (segid "   D" and resid 12 and name HN) 2.300 0.326     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 12 and name C) (segid "   D" and resid 13 and name HN) 0.550 0.241     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 13 and name C) (segid "   D" and resid 14 and name HN) 0.385 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 14 and name C) (segid "   D" and resid 15 and name HN) -1.095 0.435     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 15 and name C) (segid "   D" and resid 16 and name HN) 1.575 0.225     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 16 and name C) (segid "   D" and resid 17 and name HN) 1.020 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 17 and name C) (segid "   D" and resid 18 and name HN) -0.580 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 18 and name C) (segid "   D" and resid 19 and name HN) 0.950 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 19 and name C) (segid "   D" and resid 20 and name HN) -0.845 0.274     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 20 and name C) (segid "   D" and resid 21 and name HN) 0.125 0.244     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 21 and name C) (segid "   D" and resid 22 and name HN) -1.360 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 23 and name C) (segid "   D" and resid 24 and name HN) -0.340 0.296     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 25 and name C) (segid "   D" and resid 26 and name HN) -0.255 0.301     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 26 and name C) (segid "   D" and resid 27 and name HN) 0.970 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 27 and name C) (segid "   D" and resid 28 and name HN) 1.265 0.238     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 28 and name C) (segid "   D" and resid 29 and name HN) -2.770 0.224     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 30 and name C) (segid "   D" and resid 31 and name HN) 0.440 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 32 and name C) (segid "   D" and resid 33 and name HN) 0.370 0.236     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 34 and name C) (segid "   D" and resid 35 and name HN) -1.655 0.223     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 35 and name C) (segid "   D" and resid 36 and name HN) -1.345 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 36 and name C) (segid "   D" and resid 37 and name HN) 1.080 0.247     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 37 and name C) (segid "   D" and resid 38 and name HN) 0.985 0.233     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 38 and name C) (segid "   D" and resid 39 and name HN) -2.745 0.220     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 39 and name C) (segid "   D" and resid 40 and name HN) -0.610 0.347     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 40 and name C) (segid "   D" and resid 41 and name HN) 1.235 0.238     
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 4 and name C) (segid "   A" and resid 5 and name N) 0.200 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 5 and name C) (segid "   A" and resid 6 and name N) -0.250 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 6 and name C) (segid "   A" and resid 7 and name N) -0.160 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 7 and name C) (segid "   A" and resid 8 and name N) -0.720 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 8 and name C) (segid "   A" and resid 9 and name N) -0.625 0.035     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 9 and name C) (segid "   A" and resid 10 and name N) -0.260 0.071     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 10 and name C) (segid "   A" and resid 11 and name N) -0.520 0.058     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 11 and name C) (segid "   A" and resid 12 and name N) -0.845 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 12 and name C) (segid "   A" and resid 13 and name N) 0.485 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 13 and name C) (segid "   A" and resid 14 and name N) -0.140 0.042     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 14 and name C) (segid "   A" and resid 15 and name N) 0.880 0.040     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 15 and name C) (segid "   A" and resid 16 and name N) -0.250 0.080     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 16 and name C) (segid "   A" and resid 17 and name N) -0.175 0.025     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 17 and name C) (segid "   A" and resid 18 and name N) 0.535 0.038     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 18 and name C) (segid "   A" and resid 19 and name N) -0.235 0.070     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 19 and name C) (segid "   A" and resid 20 and name N) 0.865 0.029     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 20 and name C) (segid "   A" and resid 21 and name N) -0.560 0.076     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 21 and name C) (segid "   A" and resid 22 and name N) 1.200 0.041     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 23 and name C) (segid "   A" and resid 24 and name N) 1.035 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 25 and name C) (segid "   A" and resid 26 and name N) 0.690 0.050     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 27 and name C) (segid "   A" and resid 28 and name N) -0.250 0.072     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 28 and name C) (segid "   A" and resid 29 and name N) 1.190 0.020     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 30 and name C) (segid "   A" and resid 31 and name N) 0.700 0.036     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 35 and name C) (segid "   A" and resid 36 and name N) 0.275 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 36 and name C) (segid "   A" and resid 37 and name N) -0.635 0.047     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 38 and name C) (segid "   A" and resid 39 and name N) 0.545 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 39 and name C) (segid "   A" and resid 40 and name N) -0.305 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 40 and name C) (segid "   A" and resid 41 and name N) -0.235 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 4 and name C) (segid "   B" and resid 5 and name N) 0.200 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 5 and name C) (segid "   B" and resid 6 and name N) -0.250 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 6 and name C) (segid "   B" and resid 7 and name N) -0.160 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 7 and name C) (segid "   B" and resid 8 and name N) -0.720 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 8 and name C) (segid "   B" and resid 9 and name N) -0.625 0.035     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 9 and name C) (segid "   B" and resid 10 and name N) -0.260 0.071     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 10 and name C) (segid "   B" and resid 11 and name N) -0.520 0.058     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 11 and name C) (segid "   B" and resid 12 and name N) -0.845 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 12 and name C) (segid "   B" and resid 13 and name N) 0.485 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 13 and name C) (segid "   B" and resid 14 and name N) -0.140 0.042     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 14 and name C) (segid "   B" and resid 15 and name N) 0.880 0.040     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 15 and name C) (segid "   B" and resid 16 and name N) -0.250 0.080     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 16 and name C) (segid "   B" and resid 17 and name N) -0.175 0.025     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 17 and name C) (segid "   B" and resid 18 and name N) 0.535 0.038     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 18 and name C) (segid "   B" and resid 19 and name N) -0.235 0.070     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 19 and name C) (segid "   B" and resid 20 and name N) 0.865 0.029     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 20 and name C) (segid "   B" and resid 21 and name N) -0.560 0.076     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 21 and name C) (segid "   B" and resid 22 and name N) 1.200 0.041     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 23 and name C) (segid "   B" and resid 24 and name N) 1.035 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 25 and name C) (segid "   B" and resid 26 and name N) 0.690 0.050     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 27 and name C) (segid "   B" and resid 28 and name N) -0.250 0.072     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 28 and name C) (segid "   B" and resid 29 and name N) 1.190 0.020     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 30 and name C) (segid "   B" and resid 31 and name N) 0.700 0.036     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 35 and name C) (segid "   B" and resid 36 and name N) 0.275 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 36 and name C) (segid "   B" and resid 37 and name N) -0.635 0.047     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 38 and name C) (segid "   B" and resid 39 and name N) 0.545 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 39 and name C) (segid "   B" and resid 40 and name N) -0.305 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 40 and name C) (segid "   B" and resid 41 and name N) -0.235 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 4 and name C) (segid "   C" and resid 5 and name N) 0.200 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 5 and name C) (segid "   C" and resid 6 and name N) -0.250 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 6 and name C) (segid "   C" and resid 7 and name N) -0.160 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 7 and name C) (segid "   C" and resid 8 and name N) -0.720 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 8 and name C) (segid "   C" and resid 9 and name N) -0.625 0.035     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 9 and name C) (segid "   C" and resid 10 and name N) -0.260 0.071     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 10 and name C) (segid "   C" and resid 11 and name N) -0.520 0.058     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 11 and name C) (segid "   C" and resid 12 and name N) -0.845 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 12 and name C) (segid "   C" and resid 13 and name N) 0.485 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 13 and name C) (segid "   C" and resid 14 and name N) -0.140 0.042     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 14 and name C) (segid "   C" and resid 15 and name N) 0.880 0.040     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 15 and name C) (segid "   C" and resid 16 and name N) -0.250 0.080     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 16 and name C) (segid "   C" and resid 17 and name N) -0.175 0.025     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 17 and name C) (segid "   C" and resid 18 and name N) 0.535 0.038     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 18 and name C) (segid "   C" and resid 19 and name N) -0.235 0.070     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 19 and name C) (segid "   C" and resid 20 and name N) 0.865 0.029     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 20 and name C) (segid "   C" and resid 21 and name N) -0.560 0.076     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 21 and name C) (segid "   C" and resid 22 and name N) 1.200 0.041     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 23 and name C) (segid "   C" and resid 24 and name N) 1.035 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 25 and name C) (segid "   C" and resid 26 and name N) 0.690 0.050     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 27 and name C) (segid "   C" and resid 28 and name N) -0.250 0.072     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 28 and name C) (segid "   C" and resid 29 and name N) 1.190 0.020     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 30 and name C) (segid "   C" and resid 31 and name N) 0.700 0.036     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 35 and name C) (segid "   C" and resid 36 and name N) 0.275 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 36 and name C) (segid "   C" and resid 37 and name N) -0.635 0.047     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 38 and name C) (segid "   C" and resid 39 and name N) 0.545 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 39 and name C) (segid "   C" and resid 40 and name N) -0.305 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 40 and name C) (segid "   C" and resid 41 and name N) -0.235 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 4 and name C) (segid "   D" and resid 5 and name N) 0.200 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 5 and name C) (segid "   D" and resid 6 and name N) -0.250 0.010     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 6 and name C) (segid "   D" and resid 7 and name N) -0.160 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 7 and name C) (segid "   D" and resid 8 and name N) -0.720 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 8 and name C) (segid "   D" and resid 9 and name N) -0.625 0.035     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 9 and name C) (segid "   D" and resid 10 and name N) -0.260 0.071     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 10 and name C) (segid "   D" and resid 11 and name N) -0.520 0.058     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 11 and name C) (segid "   D" and resid 12 and name N) -0.845 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 12 and name C) (segid "   D" and resid 13 and name N) 0.485 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 13 and name C) (segid "   D" and resid 14 and name N) -0.140 0.042     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 14 and name C) (segid "   D" and resid 15 and name N) 0.880 0.040     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 15 and name C) (segid "   D" and resid 16 and name N) -0.250 0.080     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 16 and name C) (segid "   D" and resid 17 and name N) -0.175 0.025     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 17 and name C) (segid "   D" and resid 18 and name N) 0.535 0.038     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 18 and name C) (segid "   D" and resid 19 and name N) -0.235 0.070     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 19 and name C) (segid "   D" and resid 20 and name N) 0.865 0.029     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 20 and name C) (segid "   D" and resid 21 and name N) -0.560 0.076     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 21 and name C) (segid "   D" and resid 22 and name N) 1.200 0.041     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 23 and name C) (segid "   D" and resid 24 and name N) 1.035 0.065     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 25 and name C) (segid "   D" and resid 26 and name N) 0.690 0.050     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 27 and name C) (segid "   D" and resid 28 and name N) -0.250 0.072     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 28 and name C) (segid "   D" and resid 29 and name N) 1.190 0.020     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 30 and name C) (segid "   D" and resid 31 and name N) 0.700 0.036     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 35 and name C) (segid "   D" and resid 36 and name N) 0.275 0.016     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 36 and name C) (segid "   D" and resid 37 and name N) -0.635 0.047     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 38 and name C) (segid "   D" and resid 39 and name N) 0.545 0.086     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 39 and name C) (segid "   D" and resid 40 and name N) -0.305 0.096     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 40 and name C) (segid "   D" and resid 41 and name N) -0.235 0.096     
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 5 and name CA) (segid "   A" and resid 5 and name C) 1.280 0.149     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 7 and name CA) (segid "   A" and resid 7 and name C) 0.815 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 8 and name CA) (segid "   A" and resid 8 and name C) -1.130 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 10 and name CA) (segid "   A" and resid 10 and name C) -0.435 0.078     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 11 and name CA) (segid "   A" and resid 11 and name C) 0.845 0.235     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 12 and name CA) (segid "   A" and resid 12 and name C) -1.320 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 13 and name CA) (segid "   A" and resid 13 and name C) 1.130 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 15 and name CA) (segid "   A" and resid 15 and name C) 0.130 0.120     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 16 and name CA) (segid "   A" and resid 16 and name C) -0.690 0.199     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 18 and name CA) (segid "   A" and resid 18 and name C) 0.450 0.202     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 19 and name CA) (segid "   A" and resid 19 and name C) -0.625 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 20 and name CA) (segid "   A" and resid 20 and name C) 0.850 0.228     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 21 and name CA) (segid "   A" and resid 21 and name C) 0.380 0.130     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 23 and name CA) (segid "   A" and resid 23 and name C) -0.940 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 24 and name CA) (segid "   A" and resid 24 and name C) 1.240 0.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 25 and name CA) (segid "   A" and resid 25 and name C) 0.000 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 26 and name CA) (segid "   A" and resid 26 and name C) 0.805 0.196     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 27 and name CA) (segid "   A" and resid 27 and name C) -0.355 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 28 and name CA) (segid "   A" and resid 28 and name C) 0.505 0.007     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 30 and name CA) (segid "   A" and resid 30 and name C) -1.380 0.184     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 32 and name CA) (segid "   A" and resid 32 and name C) -0.375 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 34 and name CA) (segid "   A" and resid 34 and name C) 0.310 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 36 and name CA) (segid "   A" and resid 36 and name C) -0.950 0.283     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 37 and name CA) (segid "   A" and resid 37 and name C) -0.625 0.183     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 38 and name CA) (segid "   A" and resid 38 and name C) 0.885 0.284     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 40 and name CA) (segid "   A" and resid 40 and name C) -1.510 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 41 and name CA) (segid "   A" and resid 41 and name C) 0.305 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 5 and name CA) (segid "   B" and resid 5 and name C) 1.280 0.149     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 7 and name CA) (segid "   B" and resid 7 and name C) 0.815 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 8 and name CA) (segid "   B" and resid 8 and name C) -1.130 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 10 and name CA) (segid "   B" and resid 10 and name C) -0.435 0.078     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 11 and name CA) (segid "   B" and resid 11 and name C) 0.845 0.235     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 12 and name CA) (segid "   B" and resid 12 and name C) -1.320 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 13 and name CA) (segid "   B" and resid 13 and name C) 1.130 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 15 and name CA) (segid "   B" and resid 15 and name C) 0.130 0.120     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 16 and name CA) (segid "   B" and resid 16 and name C) -0.690 0.199     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 18 and name CA) (segid "   B" and resid 18 and name C) 0.450 0.202     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 19 and name CA) (segid "   B" and resid 19 and name C) -0.625 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 20 and name CA) (segid "   B" and resid 20 and name C) 0.850 0.228     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 21 and name CA) (segid "   B" and resid 21 and name C) 0.380 0.130     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 23 and name CA) (segid "   B" and resid 23 and name C) -0.940 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 24 and name CA) (segid "   B" and resid 24 and name C) 1.240 0.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 25 and name CA) (segid "   B" and resid 25 and name C) 0.000 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 26 and name CA) (segid "   B" and resid 26 and name C) 0.805 0.196     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 27 and name CA) (segid "   B" and resid 27 and name C) -0.355 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 28 and name CA) (segid "   B" and resid 28 and name C) 0.505 0.007     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 30 and name CA) (segid "   B" and resid 30 and name C) -1.380 0.184     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 32 and name CA) (segid "   B" and resid 32 and name C) -0.375 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 34 and name CA) (segid "   B" and resid 34 and name C) 0.310 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 36 and name CA) (segid "   B" and resid 36 and name C) -0.950 0.283     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 37 and name CA) (segid "   B" and resid 37 and name C) -0.625 0.183     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 38 and name CA) (segid "   B" and resid 38 and name C) 0.885 0.284     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 40 and name CA) (segid "   B" and resid 40 and name C) -1.510 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 41 and name CA) (segid "   B" and resid 41 and name C) 0.305 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 5 and name CA) (segid "   C" and resid 5 and name C) 1.280 0.149     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 7 and name CA) (segid "   C" and resid 7 and name C) 0.815 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 8 and name CA) (segid "   C" and resid 8 and name C) -1.130 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 10 and name CA) (segid "   C" and resid 10 and name C) -0.435 0.078     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 11 and name CA) (segid "   C" and resid 11 and name C) 0.845 0.235     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 12 and name CA) (segid "   C" and resid 12 and name C) -1.320 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 13 and name CA) (segid "   C" and resid 13 and name C) 1.130 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 15 and name CA) (segid "   C" and resid 15 and name C) 0.130 0.120     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 16 and name CA) (segid "   C" and resid 16 and name C) -0.690 0.199     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 18 and name CA) (segid "   C" and resid 18 and name C) 0.450 0.202     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 19 and name CA) (segid "   C" and resid 19 and name C) -0.625 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 20 and name CA) (segid "   C" and resid 20 and name C) 0.850 0.228     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 21 and name CA) (segid "   C" and resid 21 and name C) 0.380 0.130     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 23 and name CA) (segid "   C" and resid 23 and name C) -0.940 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 24 and name CA) (segid "   C" and resid 24 and name C) 1.240 0.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 25 and name CA) (segid "   C" and resid 25 and name C) 0.000 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 26 and name CA) (segid "   C" and resid 26 and name C) 0.805 0.196     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 27 and name CA) (segid "   C" and resid 27 and name C) -0.355 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 28 and name CA) (segid "   C" and resid 28 and name C) 0.505 0.007     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 30 and name CA) (segid "   C" and resid 30 and name C) -1.380 0.184     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 32 and name CA) (segid "   C" and resid 32 and name C) -0.375 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 34 and name CA) (segid "   C" and resid 34 and name C) 0.310 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 36 and name CA) (segid "   C" and resid 36 and name C) -0.950 0.283     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 37 and name CA) (segid "   C" and resid 37 and name C) -0.625 0.183     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 38 and name CA) (segid "   C" and resid 38 and name C) 0.885 0.284     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 40 and name CA) (segid "   C" and resid 40 and name C) -1.510 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 41 and name CA) (segid "   C" and resid 41 and name C) 0.305 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 5 and name CA) (segid "   D" and resid 5 and name C) 1.280 0.149     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 7 and name CA) (segid "   D" and resid 7 and name C) 0.815 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 8 and name CA) (segid "   D" and resid 8 and name C) -1.130 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 10 and name CA) (segid "   D" and resid 10 and name C) -0.435 0.078     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 11 and name CA) (segid "   D" and resid 11 and name C) 0.845 0.235     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 12 and name CA) (segid "   D" and resid 12 and name C) -1.320 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 13 and name CA) (segid "   D" and resid 13 and name C) 1.130 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 15 and name CA) (segid "   D" and resid 15 and name C) 0.130 0.120     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 16 and name CA) (segid "   D" and resid 16 and name C) -0.690 0.199     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 18 and name CA) (segid "   D" and resid 18 and name C) 0.450 0.202     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 19 and name CA) (segid "   D" and resid 19 and name C) -0.625 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 20 and name CA) (segid "   D" and resid 20 and name C) 0.850 0.228     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 21 and name CA) (segid "   D" and resid 21 and name C) 0.380 0.130     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 23 and name CA) (segid "   D" and resid 23 and name C) -0.940 0.085     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 24 and name CA) (segid "   D" and resid 24 and name C) 1.240 0.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 25 and name CA) (segid "   D" and resid 25 and name C) 0.000 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 26 and name CA) (segid "   D" and resid 26 and name C) 0.805 0.196     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 27 and name CA) (segid "   D" and resid 27 and name C) -0.355 0.231     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 28 and name CA) (segid "   D" and resid 28 and name C) 0.505 0.007     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 30 and name CA) (segid "   D" and resid 30 and name C) -1.380 0.184     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 32 and name CA) (segid "   D" and resid 32 and name C) -0.375 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 34 and name CA) (segid "   D" and resid 34 and name C) 0.310 0.092     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 36 and name CA) (segid "   D" and resid 36 and name C) -0.950 0.283     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 37 and name CA) (segid "   D" and resid 37 and name C) -0.625 0.183     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 38 and name CA) (segid "   D" and resid 38 and name C) 0.885 0.284     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 40 and name CA) (segid "   D" and resid 40 and name C) -1.510 0.177     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 41 and name CA) (segid "   D" and resid 41 and name C) 0.305 0.092     
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
                                           
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 5 and name CA) (segid "   A" and resid 5 and name HA) -7.500 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 6 and name CA) (segid "   A" and resid 6 and name HA) 5.875 0.671     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 7 and name CA) (segid "   A" and resid 7 and name HA) 9.455 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 8 and name CA) (segid "   A" and resid 8 and name HA) 7.250 0.572     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 9 and name CA) (segid "   A" and resid 9 and name HA) 7.862 1.064     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 10 and name CA) (segid "   A" and resid 10 and name HA) -9.345 2.427     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 12 and name CA) (segid "   A" and resid 12 and name HA) -2.183 0.319     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 13 and name CA) (segid "   A" and resid 13 and name HA) 8.750 0.354     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 14 and name CA) (segid "   A" and resid 14 and name HA) -17.975 1.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 15 and name CA) (segid "   A" and resid 15 and name HA) 10.640 1.018     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 16 and name CA) (segid "   A" and resid 16 and name HA) -0.957 0.357     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 17 and name CA) (segid "   A" and resid 17 and name HA) -1.580 0.345     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 18 and name CA) (segid "   A" and resid 18 and name HA) -5.725 1.449     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 19 and name CA) (segid "   A" and resid 19 and name HA) 1.233 0.592     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 20 and name CA) (segid "   A" and resid 20 and name HA) 6.095 1.290     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 21 and name CA) (segid "   A" and resid 21 and name HA) -10.650 1.661     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 23 and name CA) (segid "   A" and resid 23 and name HA) -8.920 0.465     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 24 and name CA) (segid "   A" and resid 24 and name HA) 9.923 2.211     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 25 and name CA) (segid "   A" and resid 25 and name HA) -12.278 0.686     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 26 and name CA) (segid "   A" and resid 26 and name HA) 10.617 1.413     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 27 and name CA) (segid "   A" and resid 27 and name HA) -5.100 0.996     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 28 and name CA) (segid "   A" and resid 28 and name HA) -0.847 3.139     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 29 and name CA) (segid "   A" and resid 29 and name HA) -0.150 0.628     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 30 and name CA) (segid "   A" and resid 30 and name HA) 2.398 0.923     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 31 and name CA) (segid "   A" and resid 31 and name HA) 10.280 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 32 and name CA) (segid "   A" and resid 32 and name HA) -9.945 0.675     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 34 and name CA) (segid "   A" and resid 34 and name HA) 3.645 0.437     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 35 and name CA) (segid "   A" and resid 35 and name HA) -14.255 1.499     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 36 and name CA) (segid "   A" and resid 36 and name HA) 8.783 1.448     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 37 and name CA) (segid "   A" and resid 37 and name HA) 9.953 1.134     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 38 and name CA) (segid "   A" and resid 38 and name HA) -7.515 1.186     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 39 and name CA) (segid "   A" and resid 39 and name HA) -2.253 0.665     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 40 and name CA) (segid "   A" and resid 40 and name HA) 9.153 0.871     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   A" and resid 41 and name CA) (segid "   A" and resid 41 and name HA) 8.332 0.564     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 5 and name CA) (segid "   B" and resid 5 and name HA) -7.500 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 6 and name CA) (segid "   B" and resid 6 and name HA) 5.875 0.671     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 7 and name CA) (segid "   B" and resid 7 and name HA) 9.455 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 8 and name CA) (segid "   B" and resid 8 and name HA) 7.250 0.572     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 9 and name CA) (segid "   B" and resid 9 and name HA) 7.862 1.064     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 10 and name CA) (segid "   B" and resid 10 and name HA) -9.345 2.427     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 12 and name CA) (segid "   B" and resid 12 and name HA) -2.183 0.319     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 13 and name CA) (segid "   B" and resid 13 and name HA) 8.750 0.354     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 14 and name CA) (segid "   B" and resid 14 and name HA) -17.975 1.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 15 and name CA) (segid "   B" and resid 15 and name HA) 10.640 1.018     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 16 and name CA) (segid "   B" and resid 16 and name HA) -0.957 0.357     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 17 and name CA) (segid "   B" and resid 17 and name HA) -1.580 0.345     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 18 and name CA) (segid "   B" and resid 18 and name HA) -5.725 1.449     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 19 and name CA) (segid "   B" and resid 19 and name HA) 1.233 0.592     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 20 and name CA) (segid "   B" and resid 20 and name HA) 6.095 1.290     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 21 and name CA) (segid "   B" and resid 21 and name HA) -10.650 1.661     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 23 and name CA) (segid "   B" and resid 23 and name HA) -8.920 0.465     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 24 and name CA) (segid "   B" and resid 24 and name HA) 9.923 2.211     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 25 and name CA) (segid "   B" and resid 25 and name HA) -12.278 0.686     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 26 and name CA) (segid "   B" and resid 26 and name HA) 10.617 1.413     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 27 and name CA) (segid "   B" and resid 27 and name HA) -5.100 0.996     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 28 and name CA) (segid "   B" and resid 28 and name HA) -0.847 3.139     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 29 and name CA) (segid "   B" and resid 29 and name HA) -0.150 0.628     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 30 and name CA) (segid "   B" and resid 30 and name HA) 2.398 0.923     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 31 and name CA) (segid "   B" and resid 31 and name HA) 10.280 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 32 and name CA) (segid "   B" and resid 32 and name HA) -9.945 0.675     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 34 and name CA) (segid "   B" and resid 34 and name HA) 3.645 0.437     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 35 and name CA) (segid "   B" and resid 35 and name HA) -14.255 1.499     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 36 and name CA) (segid "   B" and resid 36 and name HA) 8.783 1.448     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 37 and name CA) (segid "   B" and resid 37 and name HA) 9.953 1.134     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 38 and name CA) (segid "   B" and resid 38 and name HA) -7.515 1.186     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 39 and name CA) (segid "   B" and resid 39 and name HA) -2.253 0.665     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 40 and name CA) (segid "   B" and resid 40 and name HA) 9.153 0.871     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   B" and resid 41 and name CA) (segid "   B" and resid 41 and name HA) 8.332 0.564     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 5 and name CA) (segid "   C" and resid 5 and name HA) -7.500 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 6 and name CA) (segid "   C" and resid 6 and name HA) 5.875 0.671     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 7 and name CA) (segid "   C" and resid 7 and name HA) 9.455 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 8 and name CA) (segid "   C" and resid 8 and name HA) 7.250 0.572     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 9 and name CA) (segid "   C" and resid 9 and name HA) 7.862 1.064     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 10 and name CA) (segid "   C" and resid 10 and name HA) -9.345 2.427     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 12 and name CA) (segid "   C" and resid 12 and name HA) -2.183 0.319     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 13 and name CA) (segid "   C" and resid 13 and name HA) 8.750 0.354     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 14 and name CA) (segid "   C" and resid 14 and name HA) -17.975 1.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 15 and name CA) (segid "   C" and resid 15 and name HA) 10.640 1.018     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 16 and name CA) (segid "   C" and resid 16 and name HA) -0.957 0.357     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 17 and name CA) (segid "   C" and resid 17 and name HA) -1.580 0.345     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 18 and name CA) (segid "   C" and resid 18 and name HA) -5.725 1.449     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 19 and name CA) (segid "   C" and resid 19 and name HA) 1.233 0.592     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 20 and name CA) (segid "   C" and resid 20 and name HA) 6.095 1.290     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 21 and name CA) (segid "   C" and resid 21 and name HA) -10.650 1.661     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 23 and name CA) (segid "   C" and resid 23 and name HA) -8.920 0.465     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 24 and name CA) (segid "   C" and resid 24 and name HA) 9.923 2.211     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 25 and name CA) (segid "   C" and resid 25 and name HA) -12.278 0.686     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 26 and name CA) (segid "   C" and resid 26 and name HA) 10.617 1.413     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 27 and name CA) (segid "   C" and resid 27 and name HA) -5.100 0.996     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 28 and name CA) (segid "   C" and resid 28 and name HA) -0.847 3.139     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 29 and name CA) (segid "   C" and resid 29 and name HA) -0.150 0.628     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 30 and name CA) (segid "   C" and resid 30 and name HA) 2.398 0.923     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 31 and name CA) (segid "   C" and resid 31 and name HA) 10.280 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 32 and name CA) (segid "   C" and resid 32 and name HA) -9.945 0.675     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 34 and name CA) (segid "   C" and resid 34 and name HA) 3.645 0.437     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 35 and name CA) (segid "   C" and resid 35 and name HA) -14.255 1.499     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 36 and name CA) (segid "   C" and resid 36 and name HA) 8.783 1.448     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 37 and name CA) (segid "   C" and resid 37 and name HA) 9.953 1.134     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 38 and name CA) (segid "   C" and resid 38 and name HA) -7.515 1.186     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 39 and name CA) (segid "   C" and resid 39 and name HA) -2.253 0.665     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 40 and name CA) (segid "   C" and resid 40 and name HA) 9.153 0.871     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   C" and resid 41 and name CA) (segid "   C" and resid 41 and name HA) 8.332 0.564     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 5 and name CA) (segid "   D" and resid 5 and name HA) -7.500 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 6 and name CA) (segid "   D" and resid 6 and name HA) 5.875 0.671     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 7 and name CA) (segid "   D" and resid 7 and name HA) 9.455 0.559     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 8 and name CA) (segid "   D" and resid 8 and name HA) 7.250 0.572     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 9 and name CA) (segid "   D" and resid 9 and name HA) 7.862 1.064     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 10 and name CA) (segid "   D" and resid 10 and name HA) -9.345 2.427     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 12 and name CA) (segid "   D" and resid 12 and name HA) -2.183 0.319     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 13 and name CA) (segid "   D" and resid 13 and name HA) 8.750 0.354     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 14 and name CA) (segid "   D" and resid 14 and name HA) -17.975 1.215     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 15 and name CA) (segid "   D" and resid 15 and name HA) 10.640 1.018     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 16 and name CA) (segid "   D" and resid 16 and name HA) -0.957 0.357     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 17 and name CA) (segid "   D" and resid 17 and name HA) -1.580 0.345     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 18 and name CA) (segid "   D" and resid 18 and name HA) -5.725 1.449     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 19 and name CA) (segid "   D" and resid 19 and name HA) 1.233 0.592     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 20 and name CA) (segid "   D" and resid 20 and name HA) 6.095 1.290     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 21 and name CA) (segid "   D" and resid 21 and name HA) -10.650 1.661     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 23 and name CA) (segid "   D" and resid 23 and name HA) -8.920 0.465     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 24 and name CA) (segid "   D" and resid 24 and name HA) 9.923 2.211     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 25 and name CA) (segid "   D" and resid 25 and name HA) -12.278 0.686     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 26 and name CA) (segid "   D" and resid 26 and name HA) 10.617 1.413     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 27 and name CA) (segid "   D" and resid 27 and name HA) -5.100 0.996     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 28 and name CA) (segid "   D" and resid 28 and name HA) -0.847 3.139     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 29 and name CA) (segid "   D" and resid 29 and name HA) -0.150 0.628     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 30 and name CA) (segid "   D" and resid 30 and name HA) 2.398 0.923     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 31 and name CA) (segid "   D" and resid 31 and name HA) 10.280 0.000     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 32 and name CA) (segid "   D" and resid 32 and name HA) -9.945 0.675     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 34 and name CA) (segid "   D" and resid 34 and name HA) 3.645 0.437     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 35 and name CA) (segid "   D" and resid 35 and name HA) -14.255 1.499     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 36 and name CA) (segid "   D" and resid 36 and name HA) 8.783 1.448     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 37 and name CA) (segid "   D" and resid 37 and name HA) 9.953 1.134     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 38 and name CA) (segid "   D" and resid 38 and name HA) -7.515 1.186     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 39 and name CA) (segid "   D" and resid 39 and name HA) -2.253 0.665     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 40 and name CA) (segid "   D" and resid 40 and name HA) 9.153 0.871     
assign (resid 999 and name OO) (resid 999 and name Z) (resid 999 and name X) (resid 999 and name Y) (segid "   D" and resid 41 and name CA) (segid "   D" and resid 41 and name HA) 8.332 0.564     

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           HT1      ASP   1  -6.357 -16.454 -15.913
    2    HA   ASP   1           HA       ASP   1  -5.746 -15.991 -13.631
    3    HB2  ASP   1           HB2      ASP   1  -3.795 -14.966 -15.707
    4    HB3  ASP   1           HB1      ASP   1  -3.363 -15.414 -14.059
    5    H    GLU   2           HN       GLU   2  -6.970 -14.427 -12.573
    6    HA   GLU   2           HA       GLU   2  -5.617 -11.994 -12.001
    7    HB2  GLU   2           HB2      GLU   2  -7.385 -10.441 -12.776
    8    HB3  GLU   2           HB1      GLU   2  -6.570 -11.255 -14.103
    9    HG2  GLU   2           HG2      GLU   2  -8.446 -12.825 -14.275
   10    HG3  GLU   2           HG1      GLU   2  -9.267 -11.965 -12.973
   11    H    ASP   3           HN       ASP   3  -7.393 -14.459 -11.082
   12    HA   ASP   3           HA       ASP   3  -9.332 -13.187  -9.386
   13    HB2  ASP   3           HB2      ASP   3  -8.305 -16.033  -9.332
   14    HB3  ASP   3           HB1      ASP   3  -9.744 -15.434  -8.514
   15    H    THR   4           HN       THR   4  -8.586 -15.167  -7.141
   16    HA   THR   4           HA       THR   4  -7.069 -13.272  -5.647
   17    HB   THR   4           HB       THR   4  -7.242 -15.957  -4.509
   18    HG1  THR   4           HG1      THR   4  -9.670 -15.016  -4.179
   19   HG21  THR   4          HG21      THR   4  -8.128 -14.674  -2.583
   20   HG22  THR   4          HG22      THR   4  -8.086 -13.214  -3.576
   21   HG23  THR   4          HG23      THR   4  -6.585 -14.046  -3.165
   22    H    TYR   5           HN       TYR   5  -5.069 -13.390  -4.866
   23    HA   TYR   5           HA       TYR   5  -3.226 -15.268  -6.186
   24    HB2  TYR   5           HB2      TYR   5  -3.032 -12.310  -5.793
   25    HB3  TYR   5           HB1      TYR   5  -1.616 -13.311  -6.100
   26    HD1  TYR   5           HD2      TYR   5  -1.581 -14.711  -8.219
   27    HD2  TYR   5           HD1      TYR   5  -4.391 -11.589  -7.558
   28    HE1  TYR   5           HE2      TYR   5  -2.006 -14.592 -10.636
   29    HE2  TYR   5           HE1      TYR   5  -4.824 -11.457  -9.974
   30    HH   TYR   5           HH       TYR   5  -3.778 -13.844 -12.155
   31    H    TYR   6           HN       TYR   6  -1.131 -15.504  -4.880
   32    HA   TYR   6           HA       TYR   6  -1.603 -14.834  -2.062
   33    HB2  TYR   6           HB2      TYR   6   0.322 -16.957  -3.038
   34    HB3  TYR   6           HB1      TYR   6  -0.319 -16.747  -1.414
   35    HD1  TYR   6           HD1      TYR   6  -3.222 -16.332  -2.184
   36    HD2  TYR   6           HD2      TYR   6  -0.349 -19.205  -3.439
   37    HE1  TYR   6           HE1      TYR   6  -5.035 -17.910  -2.669
   38    HE2  TYR   6           HE2      TYR   6  -2.156 -20.799  -3.937
   39    HH   TYR   6           HH       TYR   6  -5.418 -19.892  -4.091
   40    H    LEU   7           HN       LEU   7  -0.308 -13.511  -1.053
   41    HA   LEU   7           HA       LEU   7   2.100 -12.531  -2.460
   42    HB2  LEU   7           HB2      LEU   7  -0.192 -11.231  -1.673
   43    HB3  LEU   7           HB1      LEU   7   0.883 -10.931  -0.335
   44    HG   LEU   7           HG       LEU   7   2.124  -9.444  -1.487
   45   HD11  LEU   7          HD11      LEU   7   1.938 -11.337  -3.671
   46   HD12  LEU   7          HD12      LEU   7   3.232 -10.222  -3.242
   47   HD13  LEU   7          HD13      LEU   7   1.859  -9.657  -4.199
   48   HD21  LEU   7          HD21      LEU   7  -0.321  -9.387  -3.219
   49   HD22  LEU   7          HD22      LEU   7   0.717  -8.034  -2.764
   50   HD23  LEU   7          HD23      LEU   7  -0.288  -8.826  -1.546
   51    H    GLN   8           HN       GLN   8   3.846 -13.568  -1.479
   52    HA   GLN   8           HA       GLN   8   3.779 -14.019   1.321
   53    HB2  GLN   8           HB2      GLN   8   5.138 -15.153  -0.741
   54    HB3  GLN   8           HB1      GLN   8   6.394 -14.174   0.006
   55    HG2  GLN   8           HG2      GLN   8   5.531 -15.270   2.204
   56    HG3  GLN   8           HG1      GLN   8   4.894 -16.490   1.105
   57   HE21  GLN   8          HE21      GLN   8   7.221 -15.991  -0.746
   58   HE22  GLN   8          HE22      GLN   8   8.539 -16.831  -0.017
   59    H    VAL   9           HN       VAL   9   4.102 -12.564   2.798
   60    HA   VAL   9           HA       VAL   9   5.932 -10.385   2.164
   61    HB   VAL   9           HB       VAL   9   3.294 -10.289   3.604
   62   HG11  VAL   9          HG11      VAL   9   4.723  -9.073   5.048
   63   HG12  VAL   9          HG12      VAL   9   3.811  -7.898   4.100
   64   HG13  VAL   9          HG13      VAL   9   5.491  -8.246   3.693
   65   HG21  VAL   9          HG21      VAL   9   3.308 -10.023   1.169
   66   HG22  VAL   9          HG22      VAL   9   4.409  -8.655   1.333
   67   HG23  VAL   9          HG23      VAL   9   2.776  -8.557   1.991
   68    H    ARG  10           HN       ARG  10   7.571 -10.025   3.579
   69    HA   ARG  10           HA       ARG  10   7.619 -11.764   5.944
   70    HB2  ARG  10           HB2      ARG  10   9.466 -11.697   4.062
   71    HB3  ARG  10           HB1      ARG  10  10.032 -10.292   4.952
   72    HG2  ARG  10           HG2      ARG  10   9.550 -12.917   6.312
   73    HG3  ARG  10           HG1      ARG  10  11.071 -12.560   5.492
   74    HD2  ARG  10           HD2      ARG  10  11.255 -10.505   6.906
   75    HD3  ARG  10           HD1      ARG  10   9.845 -11.065   7.803
   76    HE   ARG  10           HE       ARG  10  11.803 -13.092   7.741
   77   HH11  ARG  10          HH11      ARG  10  11.149  -9.991   9.193
   78   HH12  ARG  10          HH12      ARG  10  12.102 -10.308  10.604
   79   HH21  ARG  10          HH21      ARG  10  13.060 -13.516   9.596
   80   HH22  ARG  10          HH22      ARG  10  13.188 -12.310  10.833
   81    H    GLY  11           HN       GLY  11   7.846 -11.023   7.950
   82    HA2  GLY  11           HA2      GLY  11   8.324  -9.417   9.624
   83    HA3  GLY  11           HA1      GLY  11   8.368  -8.171   8.386
   84    H    ARG  12           HN       ARG  12   6.721  -9.089  10.998
   85    HA   ARG  12           HA       ARG  12   4.029  -9.105  10.361
   86    HB2  ARG  12           HB2      ARG  12   5.262  -9.361  12.654
   87    HB3  ARG  12           HB1      ARG  12   4.982  -7.630  12.789
   88    HG2  ARG  12           HG2      ARG  12   3.203  -8.704  13.909
   89    HG3  ARG  12           HG1      ARG  12   2.549  -8.096  12.388
   90    HD2  ARG  12           HD2      ARG  12   2.837 -10.342  11.406
   91    HD3  ARG  12           HD1      ARG  12   3.400 -10.930  12.969
   92    HE   ARG  12           HE       ARG  12   0.710  -9.776  12.649
   93   HH11  ARG  12          HH11      ARG  12   2.819 -12.369  13.638
   94   HH12  ARG  12          HH12      ARG  12   1.551 -13.291  14.374
   95   HH21  ARG  12          HH21      ARG  12  -0.964 -10.984  13.615
   96   HH22  ARG  12          HH22      ARG  12  -0.599 -12.504  14.359
   97    H    GLU  13           HN       GLU  13   5.967  -6.165  11.067
   98    HA   GLU  13           HA       GLU  13   3.894  -4.350  10.821
   99    HB2  GLU  13           HB2      GLU  13   5.974  -3.533  11.616
  100    HB3  GLU  13           HB1      GLU  13   6.835  -4.109  10.197
  101    HG2  GLU  13           HG2      GLU  13   5.929  -2.381   8.835
  102    HG3  GLU  13           HG1      GLU  13   4.773  -1.920  10.086
  103    H    ASN  14           HN       ASN  14   5.941  -5.732   8.324
  104    HA   ASN  14           HA       ASN  14   5.005  -4.236   6.132
  105    HB2  ASN  14           HB2      ASN  14   7.134  -5.520   6.234
  106    HB3  ASN  14           HB1      ASN  14   6.216  -7.018   6.256
  107   HD21  ASN  14          HD21      ASN  14   8.158  -6.546   4.396
  108   HD22  ASN  14          HD22      ASN  14   7.432  -6.376   2.838
  109    H    PHE  15           HN       PHE  15   4.170  -7.462   7.350
  110    HA   PHE  15           HA       PHE  15   2.274  -8.197   5.447
  111    HB2  PHE  15           HB2      PHE  15   3.329  -9.710   7.091
  112    HB3  PHE  15           HB1      PHE  15   2.395  -8.951   8.372
  113    HD1  PHE  15           HD1      PHE  15   1.327 -10.001   4.956
  114    HD2  PHE  15           HD2      PHE  15   1.005 -10.607   9.163
  115    HE1  PHE  15           HE1      PHE  15  -0.469 -11.619   4.581
  116    HE2  PHE  15           HE2      PHE  15  -0.821 -12.222   8.782
  117    HZ   PHE  15           HZ       PHE  15  -1.554 -12.726   6.482
  118    H    GLU  16           HN       GLU  16   1.832  -6.547   8.561
  119    HA   GLU  16           HA       GLU  16  -0.995  -6.385   8.506
  120    HB2  GLU  16           HB2      GLU  16   1.051  -4.623   9.861
  121    HB3  GLU  16           HB1      GLU  16  -0.680  -4.558  10.161
  122    HG2  GLU  16           HG2      GLU  16   1.102  -6.932  10.660
  123    HG3  GLU  16           HG1      GLU  16   0.490  -5.820  11.884
  124    H    ILE  17           HN       ILE  17   1.451  -4.041   7.334
  125    HA   ILE  17           HA       ILE  17  -0.456  -2.081   6.679
  126    HB   ILE  17           HB       ILE  17   2.374  -2.537   6.036
  127   HG12  ILE  17          HG12      ILE  17   0.973   0.078   6.421
  128   HG13  ILE  17          HG11      ILE  17   1.211  -1.008   7.782
  129   HG21  ILE  17          HG21      ILE  17   0.693  -0.777   4.250
  130   HG22  ILE  17          HG22      ILE  17   1.480  -2.280   3.760
  131   HG23  ILE  17          HG23      ILE  17   2.456  -0.889   4.240
  132   HD11  ILE  17          HD11      ILE  17   3.516  -0.840   7.651
  133   HD12  ILE  17          HD12      ILE  17   2.916   0.806   7.403
  134   HD13  ILE  17          HD13      ILE  17   3.459  -0.159   6.024
  135    H    LEU  18           HN       LEU  18   0.867  -4.784   4.765
  136    HA   LEU  18           HA       LEU  18  -0.563  -4.047   2.393
  137    HB2  LEU  18           HB2      LEU  18   1.009  -6.442   3.277
  138    HB3  LEU  18           HB1      LEU  18   0.088  -6.456   1.786
  139    HG   LEU  18           HG       LEU  18   1.874  -4.142   2.053
  140   HD11  LEU  18          HD11      LEU  18   3.915  -5.236   1.865
  141   HD12  LEU  18          HD12      LEU  18   3.158  -6.788   1.520
  142   HD13  LEU  18          HD13      LEU  18   3.090  -6.119   3.149
  143   HD21  LEU  18          HD21      LEU  18   0.869  -4.441  -0.031
  144   HD22  LEU  18          HD22      LEU  18   1.167  -6.179  -0.029
  145   HD23  LEU  18          HD23      LEU  18   2.506  -5.054  -0.257
  146    H    MET  19           HN       MET  19  -1.084  -6.281   5.104
  147    HA   MET  19           HA       MET  19  -3.247  -7.649   3.968
  148    HB2  MET  19           HB2      MET  19  -1.888  -8.018   6.254
  149    HB3  MET  19           HB1      MET  19  -3.273  -7.169   6.921
  150    HG2  MET  19           HG2      MET  19  -3.250  -9.787   5.453
  151    HG3  MET  19           HG1      MET  19  -3.669  -9.486   7.134
  152    HE1  MET  19           HE1      MET  19  -5.966 -11.100   6.396
  153    HE2  MET  19           HE2      MET  19  -5.143 -11.108   4.836
  154    HE3  MET  19           HE3      MET  19  -6.848 -10.669   4.931
  155    H    LYS  20           HN       LYS  20  -3.305  -4.837   6.147
  156    HA   LYS  20           HA       LYS  20  -6.075  -4.379   6.090
  157    HB2  LYS  20           HB2      LYS  20  -5.065  -3.083   7.654
  158    HB3  LYS  20           HB1      LYS  20  -3.665  -2.755   6.648
  159    HG2  LYS  20           HG2      LYS  20  -4.905  -0.749   7.014
  160    HG3  LYS  20           HG1      LYS  20  -5.010  -1.185   5.316
  161    HD2  LYS  20           HD2      LYS  20  -7.112  -0.500   5.851
  162    HD3  LYS  20           HD1      LYS  20  -7.250  -2.251   6.044
  163    HE2  LYS  20           HE2      LYS  20  -6.683  -1.819   8.498
  164    HE3  LYS  20           HE1      LYS  20  -7.000  -0.121   8.139
  165    HZ1  LYS  20           HZ1      LYS  20  -8.942  -2.337   7.755
  166    HZ2  LYS  20           HZ2      LYS  20  -9.237  -0.695   7.479
  167    HZ3  LYS  20           HZ3      LYS  20  -8.949  -1.248   9.051
  168    H    LEU  21           HN       LEU  21  -3.498  -3.528   3.849
  169    HA   LEU  21           HA       LEU  21  -5.152  -1.902   2.214
  170    HB2  LEU  21           HB2      LEU  21  -2.894  -1.420   1.975
  171    HB3  LEU  21           HB1      LEU  21  -2.432  -3.108   1.916
  172    HG   LEU  21           HG       LEU  21  -3.167  -3.306  -0.363
  173   HD11  LEU  21          HD11      LEU  21  -4.692  -0.931   0.269
  174   HD12  LEU  21          HD12      LEU  21  -4.924  -2.119  -1.010
  175   HD13  LEU  21          HD13      LEU  21  -3.808  -0.775  -1.248
  176   HD21  LEU  21          HD21      LEU  21  -1.536  -0.841   0.172
  177   HD22  LEU  21          HD22      LEU  21  -1.760  -1.520  -1.438
  178   HD23  LEU  21          HD23      LEU  21  -0.959  -2.468  -0.185
  179    H    LYS  22           HN       LYS  22  -4.297  -5.330   2.109
  180    HA   LYS  22           HA       LYS  22  -5.379  -5.931  -0.392
  181    HB2  LYS  22           HB2      LYS  22  -4.144  -7.683   0.453
  182    HB3  LYS  22           HB1      LYS  22  -4.720  -7.441   2.092
  183    HG2  LYS  22           HG2      LYS  22  -6.834  -8.330   0.312
  184    HG3  LYS  22           HG1      LYS  22  -5.473  -9.451   0.363
  185    HD2  LYS  22           HD2      LYS  22  -5.618  -9.199   2.916
  186    HD3  LYS  22           HD1      LYS  22  -7.212  -8.504   2.620
  187    HE2  LYS  22           HE2      LYS  22  -6.323 -11.213   1.640
  188    HE3  LYS  22           HE1      LYS  22  -7.244 -10.944   3.118
  189    HZ1  LYS  22           HZ1      LYS  22  -9.093 -10.231   1.922
  190    HZ2  LYS  22           HZ2      LYS  22  -8.526 -11.549   1.026
  191    HZ3  LYS  22           HZ3      LYS  22  -8.211  -9.972   0.503
  192    H    GLU  23           HN       GLU  23  -6.752  -5.663   2.811
  193    HA   GLU  23           HA       GLU  23  -9.381  -6.494   2.128
  194    HB2  GLU  23           HB2      GLU  23  -8.842  -6.593   4.424
  195    HB3  GLU  23           HB1      GLU  23  -8.177  -4.972   4.428
  196    HG2  GLU  23           HG2      GLU  23 -10.382  -4.023   4.226
  197    HG3  GLU  23           HG1      GLU  23 -11.089  -5.632   4.104
  198    H    SER  24           HN       SER  24  -7.866  -3.265   2.391
  199    HA   SER  24           HA       SER  24 -10.173  -1.853   1.747
  200    HB2  SER  24           HB2      SER  24  -8.697   0.039   1.206
  201    HB3  SER  24           HB1      SER  24  -8.166  -0.777   2.676
  202    HG   SER  24           HG       SER  24  -6.500  -0.253   1.061
  203    H    LEU  25           HN       LEU  25  -7.590  -3.010  -0.415
  204    HA   LEU  25           HA       LEU  25  -8.658  -1.981  -2.848
  205    HB2  LEU  25           HB2      LEU  25  -6.615  -4.004  -2.082
  206    HB3  LEU  25           HB1      LEU  25  -7.248  -4.053  -3.713
  207    HG   LEU  25           HG       LEU  25  -6.030  -1.566  -2.525
  208   HD11  LEU  25          HD11      LEU  25  -3.978  -2.137  -3.669
  209   HD12  LEU  25          HD12      LEU  25  -4.686  -3.642  -4.254
  210   HD13  LEU  25          HD13      LEU  25  -4.393  -3.416  -2.529
  211   HD21  LEU  25          HD21      LEU  25  -5.804  -0.904  -4.852
  212   HD22  LEU  25          HD22      LEU  25  -7.492  -1.256  -4.473
  213   HD23  LEU  25          HD23      LEU  25  -6.523  -2.428  -5.373
  214    H    GLU  26           HN       GLU  26  -8.950  -5.172  -1.297
  215    HA   GLU  26           HA       GLU  26 -10.451  -6.356  -3.385
  216    HB2  GLU  26           HB2      GLU  26  -9.938  -7.053  -0.525
  217    HB3  GLU  26           HB1      GLU  26 -11.172  -7.929  -1.423
  218    HG2  GLU  26           HG2      GLU  26  -9.390  -8.356  -3.173
  219    HG3  GLU  26           HG1      GLU  26  -8.229  -7.767  -1.985
  220    H    LEU  27           HN       LEU  27 -11.424  -4.809  -0.349
  221    HA   LEU  27           HA       LEU  27 -14.232  -5.199  -0.617
  222    HB2  LEU  27           HB2      LEU  27 -12.479  -3.336   0.930
  223    HB3  LEU  27           HB1      LEU  27 -14.214  -3.100   0.894
  224    HG   LEU  27           HG       LEU  27 -12.972  -5.696   1.762
  225   HD11  LEU  27          HD11      LEU  27 -12.997  -5.005   4.003
  226   HD12  LEU  27          HD12      LEU  27 -13.898  -3.537   3.625
  227   HD13  LEU  27          HD13      LEU  27 -12.213  -3.690   3.127
  228   HD21  LEU  27          HD21      LEU  27 -15.133  -5.968   2.897
  229   HD22  LEU  27          HD22      LEU  27 -15.326  -5.780   1.154
  230   HD23  LEU  27          HD23      LEU  27 -15.665  -4.423   2.232
  231    H    MET  28           HN       MET  28 -12.050  -2.809  -2.047
  232    HA   MET  28           HA       MET  28 -14.002  -0.977  -2.600
  233    HB2  MET  28           HB2      MET  28 -11.376  -0.991  -3.078
  234    HB3  MET  28           HB1      MET  28 -11.928  -1.359  -4.708
  235    HG2  MET  28           HG2      MET  28 -11.545   1.120  -3.902
  236    HG3  MET  28           HG1      MET  28 -12.854   0.700  -5.012
  237    HE1  MET  28           HE1      MET  28 -12.567  -0.177  -1.284
  238    HE2  MET  28           HE2      MET  28 -13.535   1.055  -0.478
  239    HE3  MET  28           HE3      MET  28 -11.980   1.481  -1.185
  240    H    GLU  29           HN       GLU  29 -13.896  -4.099  -3.824
  241    HA   GLU  29           HA       GLU  29 -15.306  -3.444  -6.281
  242    HB2  GLU  29           HB2      GLU  29 -15.047  -5.681  -6.882
  243    HB3  GLU  29           HB1      GLU  29 -13.574  -5.334  -5.988
  244    HG2  GLU  29           HG2      GLU  29 -14.610  -6.357  -3.984
  245    HG3  GLU  29           HG1      GLU  29 -15.999  -6.796  -4.974
  246    H    LEU  30           HN       LEU  30 -15.993  -4.012  -3.022
  247    HA   LEU  30           HA       LEU  30 -18.657  -5.067  -3.578
  248    HB2  LEU  30           HB2      LEU  30 -18.425  -6.277  -1.745
  249    HB3  LEU  30           HB1      LEU  30 -16.761  -5.747  -1.694
  250    HG   LEU  30           HG       LEU  30 -18.997  -4.319  -0.276
  251   HD11  LEU  30          HD11      LEU  30 -18.209  -5.433   1.752
  252   HD12  LEU  30          HD12      LEU  30 -17.054  -6.361   0.792
  253   HD13  LEU  30          HD13      LEU  30 -18.785  -6.604   0.564
  254   HD21  LEU  30          HD21      LEU  30 -16.001  -4.160  -0.068
  255   HD22  LEU  30          HD22      LEU  30 -17.120  -3.394   1.057
  256   HD23  LEU  30          HD23      LEU  30 -17.096  -2.899  -0.634
  257    H    VAL  31           HN       VAL  31 -17.237  -2.122  -3.270
  258    HA   VAL  31           HA       VAL  31 -19.477  -0.936  -1.819
  259    HB   VAL  31           HB       VAL  31 -17.471   0.851  -3.025
  260   HG11  VAL  31          HG11      VAL  31 -18.753   2.053  -1.641
  261   HG12  VAL  31          HG12      VAL  31 -17.615   1.474  -0.426
  262   HG13  VAL  31          HG13      VAL  31 -19.162   0.661  -0.639
  263   HG21  VAL  31          HG21      VAL  31 -16.715  -1.139  -0.904
  264   HG22  VAL  31          HG22      VAL  31 -15.844   0.369  -1.167
  265   HG23  VAL  31          HG23      VAL  31 -15.917  -0.841  -2.447
  266    HA   PRO  32           HA       PRO  32 -21.840  -0.438  -5.543
  267    HB2  PRO  32           HB2      PRO  32 -22.556   2.100  -4.103
  268    HB3  PRO  32           HB1      PRO  32 -23.609   0.976  -4.970
  269    HG2  PRO  32           HG2      PRO  32 -23.433   0.911  -2.307
  270    HG3  PRO  32           HG1      PRO  32 -23.590  -0.578  -3.255
  271    HD2  PRO  32           HD2      PRO  32 -21.242   0.494  -1.806
  272    HD3  PRO  32           HD1      PRO  32 -21.631  -1.183  -2.245
  273    H    GLN  33           HN       GLN  33 -21.126   0.313  -7.439
  274    HA   GLN  33           HA       GLN  33 -18.931   1.925  -7.815
  275    HB2  GLN  33           HB2      GLN  33 -19.795   0.464  -9.551
  276    HB3  GLN  33           HB1      GLN  33 -21.237   1.459  -9.707
  277    HG2  GLN  33           HG2      GLN  33 -19.885   3.319 -10.501
  278    HG3  GLN  33           HG1      GLN  33 -18.425   2.349 -10.311
  279   HE21  GLN  33          HE21      GLN  33 -17.906   2.530 -12.485
  280   HE22  GLN  33          HE22      GLN  33 -18.771   1.680 -13.715
  281    HA   PRO  34           HA       PRO  34 -21.930   5.683  -8.752
  282    HB2  PRO  34           HB2      PRO  34 -24.179   5.669  -7.151
  283    HB3  PRO  34           HB1      PRO  34 -24.145   5.187  -8.850
  284    HG2  PRO  34           HG2      PRO  34 -24.047   3.485  -6.394
  285    HG3  PRO  34           HG1      PRO  34 -24.930   3.218  -7.909
  286    HD2  PRO  34           HD2      PRO  34 -22.654   1.919  -7.381
  287    HD3  PRO  34           HD1      PRO  34 -23.038   2.469  -9.025
  288    H    LEU  35           HN       LEU  35 -21.675   4.164  -5.579
  289    HA   LEU  35           HA       LEU  35 -21.662   6.646  -4.136
  290    HB2  LEU  35           HB2      LEU  35 -22.557   4.631  -3.118
  291    HB3  LEU  35           HB1      LEU  35 -21.036   3.797  -3.348
  292    HG   LEU  35           HG       LEU  35 -19.975   5.302  -1.737
  293   HD11  LEU  35          HD11      LEU  35 -22.740   6.422  -1.357
  294   HD12  LEU  35          HD12      LEU  35 -21.351   7.275  -2.031
  295   HD13  LEU  35          HD13      LEU  35 -21.341   6.771  -0.340
  296   HD21  LEU  35          HD21      LEU  35 -20.911   3.174  -1.000
  297   HD22  LEU  35          HD22      LEU  35 -22.458   3.963  -0.690
  298   HD23  LEU  35          HD23      LEU  35 -21.038   4.403   0.259
  299    H    VAL  36           HN       VAL  36 -19.318   4.454  -5.509
  300    HA   VAL  36           HA       VAL  36 -17.019   5.640  -4.218
  301    HB   VAL  36           HB       VAL  36 -17.260   3.809  -6.622
  302   HG11  VAL  36          HG11      VAL  36 -14.778   4.920  -5.319
  303   HG12  VAL  36          HG12      VAL  36 -15.313   5.174  -6.980
  304   HG13  VAL  36          HG13      VAL  36 -14.790   3.573  -6.457
  305   HG21  VAL  36          HG21      VAL  36 -16.253   2.148  -5.137
  306   HG22  VAL  36          HG22      VAL  36 -17.757   2.777  -4.461
  307   HG23  VAL  36          HG23      VAL  36 -16.205   3.336  -3.834
  308    H    ASP  37           HN       ASP  37 -18.741   6.067  -7.265
  309    HA   ASP  37           HA       ASP  37 -16.936   7.820  -8.500
  310    HB2  ASP  37           HB2      ASP  37 -18.820   6.875  -9.723
  311    HB3  ASP  37           HB1      ASP  37 -19.959   7.708  -8.670
  312    H    SER  38           HN       SER  38 -19.645   8.429  -6.251
  313    HA   SER  38           HA       SER  38 -19.469  11.215  -6.215
  314    HB2  SER  38           HB2      SER  38 -21.338   9.985  -5.201
  315    HB3  SER  38           HB1      SER  38 -20.259   9.353  -3.959
  316    HG   SER  38           HG       SER  38 -20.818  11.085  -2.911
  317    H    TYR  39           HN       TYR  39 -17.776   8.804  -4.215
  318    HA   TYR  39           HA       TYR  39 -16.398  10.619  -2.574
  319    HB2  TYR  39           HB2      TYR  39 -16.293   8.428  -1.809
  320    HB3  TYR  39           HB1      TYR  39 -15.944   7.776  -3.407
  321    HD1  TYR  39           HD2      TYR  39 -14.481   9.633  -0.561
  322    HD2  TYR  39           HD1      TYR  39 -13.711   7.467  -4.140
  323    HE1  TYR  39           HE2      TYR  39 -12.088   9.601  -0.021
  324    HE2  TYR  39           HE1      TYR  39 -11.322   7.441  -3.619
  325    HH   TYR  39           HH       TYR  39  -9.705   8.694  -2.275
  326    H    ARG  40           HN       ARG  40 -15.503   9.092  -5.643
  327    HA   ARG  40           HA       ARG  40 -12.923  10.097  -5.889
  328    HB2  ARG  40           HB2      ARG  40 -14.975   9.388  -7.985
  329    HB3  ARG  40           HB1      ARG  40 -13.322   9.842  -8.381
  330    HG2  ARG  40           HG2      ARG  40 -12.489   7.961  -7.069
  331    HG3  ARG  40           HG1      ARG  40 -14.148   7.501  -6.681
  332    HD2  ARG  40           HD2      ARG  40 -14.608   7.165  -9.060
  333    HD3  ARG  40           HD1      ARG  40 -12.952   7.629  -9.446
  334    HE   ARG  40           HE       ARG  40 -12.832   5.522  -7.631
  335   HH11  ARG  40          HH11      ARG  40 -13.923   6.104 -10.890
  336   HH12  ARG  40          HH12      ARG  40 -13.630   4.480 -11.414
  337   HH21  ARG  40          HH21      ARG  40 -12.446   3.382  -8.313
  338   HH22  ARG  40          HH22      ARG  40 -12.793   2.932  -9.949
  339    H    GLN  41           HN       GLN  41 -16.021  11.575  -6.533
  340    HA   GLN  41           HA       GLN  41 -15.056  13.904  -7.864
  341    HB2  GLN  41           HB2      GLN  41 -17.416  13.194  -7.950
  342    HB3  GLN  41           HB1      GLN  41 -17.567  13.489  -6.224
  343    HG2  GLN  41           HG2      GLN  41 -17.136  15.859  -6.586
  344    HG3  GLN  41           HG1      GLN  41 -16.972  15.567  -8.316
  345   HE21  GLN  41          HE21      GLN  41 -18.807  15.075  -9.532
  346   HE22  GLN  41          HE22      GLN  41 -20.402  15.386  -8.948
  347    H    GLN  42           HN       GLN  42 -15.926  13.238  -4.479
  348    HA   GLN  42           HA       GLN  42 -15.281  15.760  -3.445
  349    HB2  GLN  42           HB2      GLN  42 -16.553  14.194  -2.127
  350    HB3  GLN  42           HB1      GLN  42 -15.246  13.020  -2.169
  351    HG2  GLN  42           HG2      GLN  42 -13.865  14.467  -0.808
  352    HG3  GLN  42           HG1      GLN  42 -15.123  15.702  -0.811
  353   HE21  GLN  42          HE21      GLN  42 -14.145  12.600   0.408
  354   HE22  GLN  42          HE22      GLN  42 -15.331  12.488   1.658
  355    H    GLN  43           HN       GLN  43 -13.339  13.011  -4.282
  356    HA   GLN  43           HA       GLN  43 -10.930  14.006  -3.039
  357    HB2  GLN  43           HB2      GLN  43 -11.273  11.613  -3.149
  358    HB3  GLN  43           HB1      GLN  43 -11.486  11.681  -4.891
  359    HG2  GLN  43           HG2      GLN  43  -9.063  12.662  -4.844
  360    HG3  GLN  43           HG1      GLN  43  -8.999  11.862  -3.274
  361   HE21  GLN  43          HE21      GLN  43  -9.159   9.611  -3.175
  362   HE22  GLN  43          HE22      GLN  43  -8.887   8.617  -4.560
  363    H    GLN  44           HN       GLN  44 -12.499  14.067  -6.126
  364    HA   GLN  44           HA       GLN  44 -10.280  14.765  -7.736
  365    HB2  GLN  44           HB2      GLN  44 -12.800  14.012  -8.295
  366    HB3  GLN  44           HB1      GLN  44 -12.974  15.749  -8.498
  367    HG2  GLN  44           HG2      GLN  44 -12.475  14.665 -10.607
  368    HG3  GLN  44           HG1      GLN  44 -11.169  15.750 -10.131
  369   HE21  GLN  44          HE21      GLN  44  -9.192  14.877  -9.473
  370   HE22  GLN  44          HE22      GLN  44  -8.756  13.240  -9.814
  371    H    LEU  45           HN       LEU  45 -12.237  16.503  -5.527
  372    HA   LEU  45           HA       LEU  45 -12.129  19.103  -6.464
  373    HB2  LEU  45           HB2      LEU  45 -13.403  18.722  -4.532
  374    HB3  LEU  45           HB1      LEU  45 -12.077  17.931  -3.703
  375    HG   LEU  45           HG       LEU  45 -10.929  20.228  -3.715
  376   HD11  LEU  45          HD11      LEU  45 -12.389  21.292  -5.351
  377   HD12  LEU  45          HD12      LEU  45 -12.436  22.146  -3.809
  378   HD13  LEU  45          HD13      LEU  45 -13.767  21.085  -4.270
  379   HD21  LEU  45          HD21      LEU  45 -13.414  19.726  -2.081
  380   HD22  LEU  45          HD22      LEU  45 -12.182  20.930  -1.703
  381   HD23  LEU  45          HD23      LEU  45 -11.770  19.214  -1.695
  382    H    LEU  46           HN       LEU  46  -9.707  17.395  -4.479
  383    HA   LEU  46           HA       LEU  46  -7.586  18.869  -5.700
  384    HB2  LEU  46           HB2      LEU  46  -6.744  19.982  -3.719
  385    HB3  LEU  46           HB1      LEU  46  -8.355  20.548  -4.111
  386    HG   LEU  46           HG       LEU  46  -8.950  18.602  -2.323
  387   HD11  LEU  46          HD11      LEU  46  -6.641  18.076  -1.841
  388   HD12  LEU  46          HD12      LEU  46  -7.384  18.843  -0.438
  389   HD13  LEU  46          HD13      LEU  46  -6.302  19.768  -1.479
  390   HD21  LEU  46          HD21      LEU  46  -9.798  20.882  -2.298
  391   HD22  LEU  46          HD22      LEU  46  -8.241  21.470  -1.715
  392   HD23  LEU  46          HD23      LEU  46  -9.223  20.417  -0.697
  393    H    GLN  47           HN       GLN  47  -5.778  17.692  -5.704
  394    HA   GLN  47           HA       GLN  47  -5.762  15.186  -4.240
  395    HB2  GLN  47           HB2      GLN  47  -4.579  16.192  -6.680
  396    HB3  GLN  47           HB1      GLN  47  -3.363  15.427  -5.668
  397    HG2  GLN  47           HG2      GLN  47  -4.346  13.862  -7.257
  398    HG3  GLN  47           HG1      GLN  47  -4.665  13.390  -5.589
  399   HE21  GLN  47          HE21      GLN  47  -6.753  13.510  -4.788
  400   HE22  GLN  47          HE22      GLN  47  -8.129  13.684  -5.818
  401    H    ARG  48           HN       ARG  48  -4.837  18.249  -3.594
  402    HA   ARG  48           HA       ARG  48  -2.262  17.865  -2.445
  403    HB2  ARG  48           HB2      ARG  48  -4.293  20.024  -1.854
  404    HB3  ARG  48           HB1      ARG  48  -2.577  20.079  -1.475
  405    HG2  ARG  48           HG2      ARG  48  -2.053  20.023  -3.857
  406    HG3  ARG  48           HG1      ARG  48  -3.778  19.986  -4.228
  407    HD2  ARG  48           HD2      ARG  48  -4.068  22.156  -3.160
  408    HD3  ARG  48           HD1      ARG  48  -2.358  22.188  -2.733
  409    HE   ARG  48           HE       ARG  48  -2.599  21.864  -5.511
  410   HH11  ARG  48          HH11      ARG  48  -3.143  24.258  -3.037
  411   HH12  ARG  48          HH12      ARG  48  -2.874  25.600  -4.097
  412   HH21  ARG  48          HH21      ARG  48  -2.242  23.627  -6.912
  413   HH22  ARG  48          HH22      ARG  48  -2.362  25.242  -6.299
  414    H    ASP   1           HT1      ASP   1   6.341 -16.454  15.918
  415    HA   ASP   1           HA       ASP   1   5.729 -15.991  13.635
  416    HB2  ASP   1           HB2      ASP   1   3.781 -14.963  15.711
  417    HB3  ASP   1           HB1      ASP   1   3.347 -15.411  14.064
  418    H    GLU   2           HN       GLU   2   6.956 -14.428  12.577
  419    HA   GLU   2           HA       GLU   2   5.605 -11.995  12.006
  420    HB2  GLU   2           HB2      GLU   2   7.375 -10.443  12.778
  421    HB3  GLU   2           HB1      GLU   2   6.559 -11.256  14.106
  422    HG2  GLU   2           HG2      GLU   2   8.435 -12.828  14.277
  423    HG3  GLU   2           HG1      GLU   2   9.256 -11.969  12.975
  424    H    ASP   3           HN       ASP   3   7.378 -14.463  11.086
  425    HA   ASP   3           HA       ASP   3   9.320 -13.193   9.389
  426    HB2  ASP   3           HB2      ASP   3   8.289 -16.038   9.338
  427    HB3  ASP   3           HB1      ASP   3   9.730 -15.441   8.520
  428    H    THR   4           HN       THR   4   8.572 -15.173   7.144
  429    HA   THR   4           HA       THR   4   7.057 -13.278   5.650
  430    HB   THR   4           HB       THR   4   7.227 -15.963   4.514
  431    HG1  THR   4           HG1      THR   4   9.656 -15.024   4.183
  432   HG21  THR   4          HG21      THR   4   8.114 -14.681   2.586
  433   HG22  THR   4          HG22      THR   4   8.073 -13.221   3.580
  434   HG23  THR   4          HG23      THR   4   6.572 -14.052   3.169
  435    H    TYR   5           HN       TYR   5   5.056 -13.393   4.869
  436    HA   TYR   5           HA       TYR   5   3.210 -15.269   6.190
  437    HB2  TYR   5           HB2      TYR   5   3.019 -12.311   5.796
  438    HB3  TYR   5           HB1      TYR   5   1.602 -13.310   6.104
  439    HD1  TYR   5           HD2      TYR   5   1.567 -14.709   8.223
  440    HD2  TYR   5           HD1      TYR   5   4.380 -11.590   7.561
  441    HE1  TYR   5           HE2      TYR   5   1.992 -14.589  10.640
  442    HE2  TYR   5           HE1      TYR   5   4.813 -11.457   9.976
  443    HH   TYR   5           HH       TYR   5   3.765 -13.842  12.159
  444    H    TYR   6           HN       TYR   6   1.115 -15.503   4.885
  445    HA   TYR   6           HA       TYR   6   1.586 -14.834   2.066
  446    HB2  TYR   6           HB2      TYR   6  -0.339 -16.956   3.043
  447    HB3  TYR   6           HB1      TYR   6   0.301 -16.746   1.418
  448    HD1  TYR   6           HD1      TYR   6   3.206 -16.333   2.189
  449    HD2  TYR   6           HD2      TYR   6   0.329 -19.202   3.444
  450    HE1  TYR   6           HE1      TYR   6   5.017 -17.912   2.675
  451    HE2  TYR   6           HE2      TYR   6   2.134 -20.798   3.943
  452    HH   TYR   6           HH       TYR   6   5.398 -19.896   4.097
  453    H    LEU   7           HN       LEU   7   0.295 -13.510   1.057
  454    HA   LEU   7           HA       LEU   7  -2.113 -12.527   2.463
  455    HB2  LEU   7           HB2      LEU   7   0.181 -11.230   1.676
  456    HB3  LEU   7           HB1      LEU   7  -0.893 -10.929   0.338
  457    HG   LEU   7           HG       LEU   7  -2.132  -9.440   1.490
  458   HD11  LEU   7          HD11      LEU   7  -1.950 -11.333   3.673
  459   HD12  LEU   7          HD12      LEU   7  -3.241 -10.214   3.245
  460   HD13  LEU   7          HD13      LEU   7  -1.867  -9.653   4.202
  461   HD21  LEU   7          HD21      LEU   7   0.313  -9.386   3.221
  462   HD22  LEU   7          HD22      LEU   7  -0.725  -8.031   2.767
  463   HD23  LEU   7          HD23      LEU   7   0.279  -8.825   1.549
  464    H    GLN   8           HN       GLN   8  -3.859 -13.564   1.482
  465    HA   GLN   8           HA       GLN   8  -3.793 -14.015  -1.318
  466    HB2  GLN   8           HB2      GLN   8  -5.154 -15.146   0.745
  467    HB3  GLN   8           HB1      GLN   8  -6.408 -14.166  -0.003
  468    HG2  GLN   8           HG2      GLN   8  -5.547 -15.264  -2.200
  469    HG3  GLN   8           HG1      GLN   8  -4.910 -16.484  -1.101
  470   HE21  GLN   8          HE21      GLN   8  -7.236 -15.982   0.751
  471   HE22  GLN   8          HE22      GLN   8  -8.555 -16.821   0.023
  472    H    VAL   9           HN       VAL   9  -4.113 -12.559  -2.794
  473    HA   VAL   9           HA       VAL   9  -5.942 -10.378  -2.161
  474    HB   VAL   9           HB       VAL   9  -3.304 -10.286  -3.601
  475   HG11  VAL   9          HG11      VAL   9  -4.732  -9.070  -5.046
  476   HG12  VAL   9          HG12      VAL   9  -3.819  -7.894  -4.100
  477   HG13  VAL   9          HG13      VAL   9  -5.500  -8.241  -3.692
  478   HG21  VAL   9          HG21      VAL   9  -3.318 -10.020  -1.167
  479   HG22  VAL   9          HG22      VAL   9  -4.417  -8.650  -1.331
  480   HG23  VAL   9          HG23      VAL   9  -2.783  -8.554  -1.989
  481    H    ARG  10           HN       ARG  10  -7.580 -10.016  -3.576
  482    HA   ARG  10           HA       ARG  10  -7.629 -11.757  -5.940
  483    HB2  ARG  10           HB2      ARG  10  -9.478 -11.688  -4.058
  484    HB3  ARG  10           HB1      ARG  10 -10.042 -10.282  -4.948
  485    HG2  ARG  10           HG2      ARG  10  -9.563 -12.909  -6.309
  486    HG3  ARG  10           HG1      ARG  10 -11.083 -12.550  -5.488
  487    HD2  ARG  10           HD2      ARG  10 -11.265 -10.495  -6.902
  488    HD3  ARG  10           HD1      ARG  10  -9.856 -11.056  -7.800
  489    HE   ARG  10           HE       ARG  10 -11.816 -13.081  -7.738
  490   HH11  ARG  10          HH11      ARG  10 -11.159  -9.981  -9.191
  491   HH12  ARG  10          HH12      ARG  10 -12.112 -10.297 -10.602
  492   HH21  ARG  10          HH21      ARG  10 -13.073 -13.504  -9.592
  493   HH22  ARG  10          HH22      ARG  10 -13.200 -12.299 -10.830
  494    H    GLY  11           HN       GLY  11  -7.857 -11.017  -7.947
  495    HA2  GLY  11           HA2      GLY  11  -8.332  -9.412  -9.622
  496    HA3  GLY  11           HA1      GLY  11  -8.374  -8.164  -8.383
  497    H    ARG  12           HN       ARG  12  -6.729  -9.085 -10.996
  498    HA   ARG  12           HA       ARG  12  -4.038  -9.103 -10.359
  499    HB2  ARG  12           HB2      ARG  12  -5.270  -9.360 -12.651
  500    HB3  ARG  12           HB1      ARG  12  -4.989  -7.630 -12.787
  501    HG2  ARG  12           HG2      ARG  12  -3.210  -8.704 -13.907
  502    HG3  ARG  12           HG1      ARG  12  -2.556  -8.096 -12.385
  503    HD2  ARG  12           HD2      ARG  12  -2.845 -10.341 -11.403
  504    HD3  ARG  12           HD1      ARG  12  -3.411 -10.929 -12.966
  505    HE   ARG  12           HE       ARG  12  -0.719  -9.779 -12.649
  506   HH11  ARG  12          HH11      ARG  12  -2.832 -12.369 -13.638
  507   HH12  ARG  12          HH12      ARG  12  -1.564 -13.294 -14.370
  508   HH21  ARG  12          HH21      ARG  12   0.953 -10.990 -13.612
  509   HH22  ARG  12          HH22      ARG  12   0.586 -12.511 -14.355
  510    H    GLU  13           HN       GLU  13  -5.974  -6.161 -11.065
  511    HA   GLU  13           HA       GLU  13  -3.898  -4.349 -10.822
  512    HB2  GLU  13           HB2      GLU  13  -5.977  -3.529 -11.615
  513    HB3  GLU  13           HB1      GLU  13  -6.837  -4.104 -10.195
  514    HG2  GLU  13           HG2      GLU  13  -5.931  -2.377  -8.835
  515    HG3  GLU  13           HG1      GLU  13  -4.773  -1.918 -10.086
  516    H    ASN  14           HN       ASN  14  -5.946  -5.727  -8.324
  517    HA   ASN  14           HA       ASN  14  -5.009  -4.232  -6.133
  518    HB2  ASN  14           HB2      ASN  14  -7.139  -5.514  -6.234
  519    HB3  ASN  14           HB1      ASN  14  -6.222  -7.013  -6.255
  520   HD21  ASN  14          HD21      ASN  14  -8.163  -6.539  -4.396
  521   HD22  ASN  14          HD22      ASN  14  -7.437  -6.367  -2.838
  522    H    PHE  15           HN       PHE  15  -4.177  -7.459  -7.347
  523    HA   PHE  15           HA       PHE  15  -2.282  -8.195  -5.445
  524    HB2  PHE  15           HB2      PHE  15  -3.338  -9.708  -7.088
  525    HB3  PHE  15           HB1      PHE  15  -2.403  -8.950  -8.370
  526    HD1  PHE  15           HD1      PHE  15  -1.337 -10.000  -4.954
  527    HD2  PHE  15           HD2      PHE  15  -1.015 -10.608  -9.161
  528    HE1  PHE  15           HE1      PHE  15   0.457 -11.620  -4.578
  529    HE2  PHE  15           HE2      PHE  15   0.809 -12.225  -8.779
  530    HZ   PHE  15           HZ       PHE  15   1.541 -12.730  -6.479
  531    H    GLU  16           HN       GLU  16  -1.837  -6.547  -8.560
  532    HA   GLU  16           HA       GLU  16   0.989  -6.388  -8.505
  533    HB2  GLU  16           HB2      GLU  16  -1.055  -4.624  -9.860
  534    HB3  GLU  16           HB1      GLU  16   0.676  -4.561 -10.159
  535    HG2  GLU  16           HG2      GLU  16  -1.108  -6.933 -10.657
  536    HG3  GLU  16           HG1      GLU  16  -0.495  -5.822 -11.881
  537    H    ILE  17           HN       ILE  17  -1.454  -4.041  -7.332
  538    HA   ILE  17           HA       ILE  17   0.455  -2.083  -6.679
  539    HB   ILE  17           HB       ILE  17  -2.375  -2.536  -6.036
  540   HG12  ILE  17          HG12      ILE  17  -0.972   0.078  -6.422
  541   HG13  ILE  17          HG11      ILE  17  -1.210  -1.009  -7.782
  542   HG21  ILE  17          HG21      ILE  17  -0.693  -0.776  -4.250
  543   HG22  ILE  17          HG22      ILE  17  -1.482  -2.279  -3.760
  544   HG23  ILE  17          HG23      ILE  17  -2.457  -0.886  -4.241
  545   HD11  ILE  17          HD11      ILE  17  -3.516  -0.839  -7.653
  546   HD12  ILE  17          HD12      ILE  17  -2.914   0.808  -7.407
  547   HD13  ILE  17          HD13      ILE  17  -3.459  -0.155  -6.027
  548    H    LEU  18           HN       LEU  18  -0.870  -4.783  -4.763
  549    HA   LEU  18           HA       LEU  18   0.562  -4.048  -2.392
  550    HB2  LEU  18           HB2      LEU  18  -1.013  -6.441  -3.275
  551    HB3  LEU  18           HB1      LEU  18  -0.092  -6.455  -1.784
  552    HG   LEU  18           HG       LEU  18  -1.876  -4.140  -2.052
  553   HD11  LEU  18          HD11      LEU  18  -3.918  -5.231  -1.864
  554   HD12  LEU  18          HD12      LEU  18  -3.163  -6.785  -1.517
  555   HD13  LEU  18          HD13      LEU  18  -3.095  -6.117  -3.148
  556   HD21  LEU  18          HD21      LEU  18  -0.872  -4.439   0.033
  557   HD22  LEU  18          HD22      LEU  18  -1.172  -6.177   0.031
  558   HD23  LEU  18          HD23      LEU  18  -2.510  -5.050   0.258
  559    H    MET  19           HN       MET  19   1.079  -6.282  -5.103
  560    HA   MET  19           HA       MET  19   3.240  -7.653  -3.966
  561    HB2  MET  19           HB2      MET  19   1.881  -8.020  -6.253
  562    HB3  MET  19           HB1      MET  19   3.267  -7.174  -6.919
  563    HG2  MET  19           HG2      MET  19   3.240  -9.791  -5.451
  564    HG3  MET  19           HG1      MET  19   3.660  -9.492  -7.132
  565    HE1  MET  19           HE1      MET  19   5.956 -11.108  -6.392
  566    HE2  MET  19           HE2      MET  19   5.133 -11.115  -4.832
  567    HE3  MET  19           HE3      MET  19   6.838 -10.678  -4.927
  568    H    LYS  20           HN       LYS  20   3.300  -4.842  -6.146
  569    HA   LYS  20           HA       LYS  20   6.071  -4.387  -6.089
  570    HB2  LYS  20           HB2      LYS  20   5.063  -3.090  -7.654
  571    HB3  LYS  20           HB1      LYS  20   3.663  -2.760  -6.648
  572    HG2  LYS  20           HG2      LYS  20   4.906  -0.755  -7.013
  573    HG3  LYS  20           HG1      LYS  20   5.010  -1.193  -5.316
  574    HD2  LYS  20           HD2      LYS  20   7.114  -0.511  -5.850
  575    HD3  LYS  20           HD1      LYS  20   7.248  -2.262  -6.045
  576    HE2  LYS  20           HE2      LYS  20   6.681  -1.826  -8.498
  577    HE3  LYS  20           HE1      LYS  20   7.002  -0.129  -8.138
  578    HZ1  LYS  20           HZ1      LYS  20   8.941  -2.348  -7.755
  579    HZ2  LYS  20           HZ2      LYS  20   9.238  -0.706  -7.480
  580    HZ3  LYS  20           HZ3      LYS  20   8.948  -1.261  -9.051
  581    H    LEU  21           HN       LEU  21   3.495  -3.531  -3.849
  582    HA   LEU  21           HA       LEU  21   5.151  -1.908  -2.214
  583    HB2  LEU  21           HB2      LEU  21   2.892  -1.423  -1.975
  584    HB3  LEU  21           HB1      LEU  21   2.430  -3.111  -1.915
  585    HG   LEU  21           HG       LEU  21   3.164  -3.309   0.364
  586   HD11  LEU  21          HD11      LEU  21   4.691  -0.935  -0.270
  587   HD12  LEU  21          HD12      LEU  21   4.923  -2.123   1.010
  588   HD13  LEU  21          HD13      LEU  21   3.808  -0.778   1.248
  589   HD21  LEU  21          HD21      LEU  21   1.536  -0.842  -0.173
  590   HD22  LEU  21          HD22      LEU  21   1.759  -1.520   1.438
  591   HD23  LEU  21          HD23      LEU  21   0.957  -2.468   0.185
  592    H    LYS  22           HN       LYS  22   4.291  -5.335  -2.107
  593    HA   LYS  22           HA       LYS  22   5.374  -5.935   0.393
  594    HB2  LYS  22           HB2      LYS  22   4.137  -7.686  -0.451
  595    HB3  LYS  22           HB1      LYS  22   4.714  -7.445  -2.091
  596    HG2  LYS  22           HG2      LYS  22   6.826  -8.336  -0.310
  597    HG3  LYS  22           HG1      LYS  22   5.464  -9.456  -0.360
  598    HD2  LYS  22           HD2      LYS  22   5.609  -9.206  -2.913
  599    HD3  LYS  22           HD1      LYS  22   7.204  -8.511  -2.618
  600    HE2  LYS  22           HE2      LYS  22   6.313 -11.219  -1.635
  601    HE3  LYS  22           HE1      LYS  22   7.233 -10.952  -3.114
  602    HZ1  LYS  22           HZ1      LYS  22   9.083 -10.240  -1.919
  603    HZ2  LYS  22           HZ2      LYS  22   8.516 -11.557  -1.022
  604    HZ3  LYS  22           HZ3      LYS  22   8.202  -9.980  -0.500
  605    H    GLU  23           HN       GLU  23   6.747  -5.670  -2.810
  606    HA   GLU  23           HA       GLU  23   9.375  -6.504  -2.126
  607    HB2  GLU  23           HB2      GLU  23   8.835  -6.603  -4.423
  608    HB3  GLU  23           HB1      GLU  23   8.173  -4.981  -4.427
  609    HG2  GLU  23           HG2      GLU  23  10.380  -4.035  -4.226
  610    HG3  GLU  23           HG1      GLU  23  11.084  -5.646  -4.103
  611    H    SER  24           HN       SER  24   7.865  -3.273  -2.393
  612    HA   SER  24           HA       SER  24  10.172  -1.864  -1.747
  613    HB2  SER  24           HB2      SER  24   8.698   0.030  -1.208
  614    HB3  SER  24           HB1      SER  24   8.166  -0.786  -2.677
  615    HG   SER  24           HG       SER  24   6.501  -0.259  -1.063
  616    H    LEU  25           HN       LEU  25   7.588  -3.017   0.416
  617    HA   LEU  25           HA       LEU  25   8.657  -1.989   2.848
  618    HB2  LEU  25           HB2      LEU  25   6.612  -4.010   2.084
  619    HB3  LEU  25           HB1      LEU  25   7.246  -4.058   3.715
  620    HG   LEU  25           HG       LEU  25   6.030  -1.571   2.525
  621   HD11  LEU  25          HD11      LEU  25   3.977  -2.140   3.668
  622   HD12  LEU  25          HD12      LEU  25   4.684  -3.646   4.254
  623   HD13  LEU  25          HD13      LEU  25   4.392  -3.420   2.528
  624   HD21  LEU  25          HD21      LEU  25   5.804  -0.908   4.852
  625   HD22  LEU  25          HD22      LEU  25   7.491  -1.262   4.474
  626   HD23  LEU  25          HD23      LEU  25   6.520  -2.432   5.374
  627    H    GLU  26           HN       GLU  26   8.946  -5.180   1.298
  628    HA   GLU  26           HA       GLU  26  10.446  -6.366   3.386
  629    HB2  GLU  26           HB2      GLU  26   9.931  -7.063   0.526
  630    HB3  GLU  26           HB1      GLU  26  11.163  -7.940   1.423
  631    HG2  GLU  26           HG2      GLU  26   9.381  -8.363   3.175
  632    HG3  GLU  26           HG1      GLU  26   8.221  -7.774   1.986
  633    H    LEU  27           HN       LEU  27  11.420  -4.820   0.349
  634    HA   LEU  27           HA       LEU  27  14.228  -5.213   0.618
  635    HB2  LEU  27           HB2      LEU  27  12.476  -3.350  -0.931
  636    HB3  LEU  27           HB1      LEU  27  14.211  -3.114  -0.895
  637    HG   LEU  27           HG       LEU  27  12.968  -5.710  -1.761
  638   HD11  LEU  27          HD11      LEU  27  12.993  -5.020  -4.002
  639   HD12  LEU  27          HD12      LEU  27  13.896  -3.552  -3.625
  640   HD13  LEU  27          HD13      LEU  27  12.210  -3.704  -3.127
  641   HD21  LEU  27          HD21      LEU  27  15.129  -5.983  -2.896
  642   HD22  LEU  27          HD22      LEU  27  15.321  -5.795  -1.153
  643   HD23  LEU  27          HD23      LEU  27  15.661  -4.439  -2.230
  644    H    MET  28           HN       MET  28  12.048  -2.819   2.047
  645    HA   MET  28           HA       MET  28  14.002  -0.990   2.600
  646    HB2  MET  28           HB2      MET  28  11.375  -1.001   3.080
  647    HB3  MET  28           HB1      MET  28  11.929  -1.368   4.709
  648    HG2  MET  28           HG2      MET  28  11.548   1.110   3.900
  649    HG3  MET  28           HG1      MET  28  12.856   0.690   5.011
  650    HE1  MET  28           HE1      MET  28  12.568  -0.190   1.283
  651    HE2  MET  28           HE2      MET  28  13.537   1.040   0.476
  652    HE3  MET  28           HE3      MET  28  11.983   1.468   1.183
  653    H    GLU  29           HN       GLU  29  13.893  -4.111   3.824
  654    HA   GLU  29           HA       GLU  29  15.304  -3.457   6.281
  655    HB2  GLU  29           HB2      GLU  29  15.041  -5.694   6.884
  656    HB3  GLU  29           HB1      GLU  29  13.570  -5.345   5.989
  657    HG2  GLU  29           HG2      GLU  29  14.604  -6.370   3.986
  658    HG3  GLU  29           HG1      GLU  29  15.993  -6.810   4.975
  659    H    LEU  30           HN       LEU  30  15.990  -4.029   3.022
  660    HA   LEU  30           HA       LEU  30  18.653  -5.086   3.579
  661    HB2  LEU  30           HB2      LEU  30  18.422  -6.295   1.745
  662    HB3  LEU  30           HB1      LEU  30  16.758  -5.765   1.695
  663    HG   LEU  30           HG       LEU  30  18.994  -4.338   0.275
  664   HD11  LEU  30          HD11      LEU  30  18.203  -5.453  -1.751
  665   HD12  LEU  30          HD12      LEU  30  17.048  -6.379  -0.789
  666   HD13  LEU  30          HD13      LEU  30  18.779  -6.623  -0.562
  667   HD21  LEU  30          HD21      LEU  30  15.998  -4.176   0.069
  668   HD22  LEU  30          HD22      LEU  30  17.117  -3.412  -1.058
  669   HD23  LEU  30          HD23      LEU  30  17.094  -2.916   0.634
  670    H    VAL  31           HN       VAL  31  17.237  -2.139   3.269
  671    HA   VAL  31           HA       VAL  31  19.477  -0.955   1.819
  672    HB   VAL  31           HB       VAL  31  17.474   0.835   3.023
  673   HG11  VAL  31          HG11      VAL  31  18.757   2.033   1.637
  674   HG12  VAL  31          HG12      VAL  31  17.617   1.455   0.424
  675   HG13  VAL  31          HG13      VAL  31  19.164   0.640   0.636
  676   HG21  VAL  31          HG21      VAL  31  16.715  -1.155   0.904
  677   HG22  VAL  31          HG22      VAL  31  15.845   0.354   1.166
  678   HG23  VAL  31          HG23      VAL  31  15.918  -0.857   2.446
  679    HA   PRO  32           HA       PRO  32  21.840  -0.459   5.542
  680    HB2  PRO  32           HB2      PRO  32  22.559   2.079   4.101
  681    HB3  PRO  32           HB1      PRO  32  23.611   0.953   4.969
  682    HG2  PRO  32           HG2      PRO  32  23.436   0.888   2.306
  683    HG3  PRO  32           HG1      PRO  32  23.591  -0.601   3.254
  684    HD2  PRO  32           HD2      PRO  32  21.244   0.472   1.805
  685    HD3  PRO  32           HD1      PRO  32  21.631  -1.204   2.244
  686    H    GLN  33           HN       GLN  33  21.127   0.294   7.438
  687    HA   GLN  33           HA       GLN  33  18.934   1.908   7.813
  688    HB2  GLN  33           HB2      GLN  33  19.797   0.447   9.549
  689    HB3  GLN  33           HB1      GLN  33  21.239   1.440   9.706
  690    HG2  GLN  33           HG2      GLN  33  19.890   3.302  10.499
  691    HG3  GLN  33           HG1      GLN  33  18.429   2.335  10.310
  692   HE21  GLN  33          HE21      GLN  33  17.909   2.514  12.483
  693   HE22  GLN  33          HE22      GLN  33  18.774   1.664  13.714
  694    HA   PRO  34           HA       PRO  34  21.937   5.664   8.750
  695    HB2  PRO  34           HB2      PRO  34  24.186   5.647   7.149
  696    HB3  PRO  34           HB1      PRO  34  24.151   5.165   8.848
  697    HG2  PRO  34           HG2      PRO  34  24.052   3.463   6.392
  698    HG3  PRO  34           HG1      PRO  34  24.935   3.196   7.906
  699    HD2  PRO  34           HD2      PRO  34  22.657   1.899   7.380
  700    HD3  PRO  34           HD1      PRO  34  23.042   2.449   9.023
  701    H    LEU  35           HN       LEU  35  21.681   4.144   5.577
  702    HA   LEU  35           HA       LEU  35  21.670   6.624   4.133
  703    HB2  LEU  35           HB2      LEU  35  22.563   4.608   3.115
  704    HB3  LEU  35           HB1      LEU  35  21.040   3.776   3.346
  705    HG   LEU  35           HG       LEU  35  19.982   5.282   1.734
  706   HD11  LEU  35          HD11      LEU  35  22.748   6.397   1.355
  707   HD12  LEU  35          HD12      LEU  35  21.361   7.252   2.029
  708   HD13  LEU  35          HD13      LEU  35  21.351   6.749   0.338
  709   HD21  LEU  35          HD21      LEU  35  20.915   3.153   0.997
  710   HD22  LEU  35          HD22      LEU  35  22.462   3.941   0.687
  711   HD23  LEU  35          HD23      LEU  35  21.043   4.382  -0.261
  712    H    VAL  36           HN       VAL  36  19.324   4.436   5.507
  713    HA   VAL  36           HA       VAL  36  17.027   5.624   4.215
  714    HB   VAL  36           HB       VAL  36  17.266   3.793   6.620
  715   HG11  VAL  36          HG11      VAL  36  14.784   4.906   5.317
  716   HG12  VAL  36          HG12      VAL  36  15.321   5.161   6.977
  717   HG13  VAL  36          HG13      VAL  36  14.795   3.560   6.456
  718   HG21  VAL  36          HG21      VAL  36  16.257   2.133   5.135
  719   HG22  VAL  36          HG22      VAL  36  17.761   2.760   4.460
  720   HG23  VAL  36          HG23      VAL  36  16.210   3.320   3.831
  721    H    ASP  37           HN       ASP  37  18.749   6.050   7.263
  722    HA   ASP  37           HA       ASP  37  16.945   7.806   8.496
  723    HB2  ASP  37           HB2      ASP  37  18.828   6.858   9.721
  724    HB3  ASP  37           HB1      ASP  37  19.968   7.690   8.667
  725    H    SER  38           HN       SER  38  19.656   8.410   6.248
  726    HA   SER  38           HA       SER  38  19.483  11.196   6.210
  727    HB2  SER  38           HB2      SER  38  21.350   9.965   5.197
  728    HB3  SER  38           HB1      SER  38  20.270   9.333   3.954
  729    HG   SER  38           HG       SER  38  20.832  11.065   2.906
  730    H    TYR  39           HN       TYR  39  17.787   8.788   4.211
  731    HA   TYR  39           HA       TYR  39  16.411  10.604   2.570
  732    HB2  TYR  39           HB2      TYR  39  16.303   8.414   1.804
  733    HB3  TYR  39           HB1      TYR  39  15.954   7.762   3.402
  734    HD1  TYR  39           HD2      TYR  39  14.493   9.619   0.556
  735    HD2  TYR  39           HD1      TYR  39  13.721   7.455   4.136
  736    HE1  TYR  39           HE2      TYR  39  12.099   9.589   0.016
  737    HE2  TYR  39           HE1      TYR  39  11.332   7.430   3.615
  738    HH   TYR  39           HH       TYR  39   9.715   8.686   2.271
  739    H    ARG  40           HN       ARG  40  15.514   9.078   5.639
  740    HA   ARG  40           HA       ARG  40  12.936  10.085   5.886
  741    HB2  ARG  40           HB2      ARG  40  14.987   9.374   7.980
  742    HB3  ARG  40           HB1      ARG  40  13.336   9.832   8.377
  743    HG2  ARG  40           HG2      ARG  40  12.499   7.951   7.065
  744    HG3  ARG  40           HG1      ARG  40  14.158   7.489   6.677
  745    HD2  ARG  40           HD2      ARG  40  14.616   7.154   9.057
  746    HD3  ARG  40           HD1      ARG  40  12.960   7.618   9.442
  747    HE   ARG  40           HE       ARG  40  12.842   5.511   7.627
  748   HH11  ARG  40          HH11      ARG  40  13.930   6.094  10.886
  749   HH12  ARG  40          HH12      ARG  40  13.636   4.470  11.412
  750   HH21  ARG  40          HH21      ARG  40  12.451   3.371   8.311
  751   HH22  ARG  40          HH22      ARG  40  12.795   2.923   9.948
  752    H    GLN  41           HN       GLN  41  16.034  11.561   6.528
  753    HA   GLN  41           HA       GLN  41  15.072  13.891   7.858
  754    HB2  GLN  41           HB2      GLN  41  17.431  13.180   7.947
  755    HB3  GLN  41           HB1      GLN  41  17.585  13.473   6.221
  756    HG2  GLN  41           HG2      GLN  41  17.155  15.844   6.580
  757    HG3  GLN  41           HG1      GLN  41  16.990  15.553   8.311
  758   HE21  GLN  41          HE21      GLN  41  18.824  15.059   9.527
  759   HE22  GLN  41          HE22      GLN  41  20.420  15.367   8.942
  760    H    GLN  42           HN       GLN  42  15.942  13.224   4.473
  761    HA   GLN  42           HA       GLN  42  15.299  15.747   3.438
  762    HB2  GLN  42           HB2      GLN  42  16.570  14.179   2.121
  763    HB3  GLN  42           HB1      GLN  42  15.262  13.006   2.163
  764    HG2  GLN  42           HG2      GLN  42  13.882  14.454   0.801
  765    HG3  GLN  42           HG1      GLN  42  15.143  15.687   0.803
  766   HE21  GLN  42          HE21      GLN  42  14.160  12.586  -0.414
  767   HE22  GLN  42          HE22      GLN  42  15.346  12.471  -1.664
  768    H    GLN  43           HN       GLN  43  13.355  12.998   4.278
  769    HA   GLN  43           HA       GLN  43  10.946  13.996   3.034
  770    HB2  GLN  43           HB2      GLN  43  11.286  11.603   3.144
  771    HB3  GLN  43           HB1      GLN  43  11.500  11.671   4.886
  772    HG2  GLN  43           HG2      GLN  43   9.078  12.655   4.839
  773    HG3  GLN  43           HG1      GLN  43   9.012  11.855   3.270
  774   HE21  GLN  43          HE21      GLN  43   9.171   9.604   3.172
  775   HE22  GLN  43          HE22      GLN  43   8.898   8.610   4.557
  776    H    GLN  44           HN       GLN  44  12.514  14.055   6.120
  777    HA   GLN  44           HA       GLN  44  10.296  14.756   7.730
  778    HB2  GLN  44           HB2      GLN  44  12.817  14.003   8.288
  779    HB3  GLN  44           HB1      GLN  44  12.991  15.739   8.491
  780    HG2  GLN  44           HG2      GLN  44  12.493  14.655  10.600
  781    HG3  GLN  44           HG1      GLN  44  11.187  15.741  10.125
  782   HE21  GLN  44          HE21      GLN  44   9.211  14.871   9.466
  783   HE22  GLN  44          HE22      GLN  44   8.772  13.236   9.810
  784    H    LEU  45           HN       LEU  45  12.256  16.493   5.520
  785    HA   LEU  45           HA       LEU  45  12.151  19.092   6.456
  786    HB2  LEU  45           HB2      LEU  45  13.425  18.710   4.525
  787    HB3  LEU  45           HB1      LEU  45  12.099  17.920   3.695
  788    HG   LEU  45           HG       LEU  45  10.953  20.218   3.708
  789   HD11  LEU  45          HD11      LEU  45  12.413  21.282   5.343
  790   HD12  LEU  45          HD12      LEU  45  12.461  22.135   3.800
  791   HD13  LEU  45          HD13      LEU  45  13.791  21.072   4.262
  792   HD21  LEU  45          HD21      LEU  45  13.436  19.714   2.074
  793   HD22  LEU  45          HD22      LEU  45  12.205  20.918   1.695
  794   HD23  LEU  45          HD23      LEU  45  11.792  19.203   1.688
  795    H    LEU  46           HN       LEU  46   9.727  17.387   4.473
  796    HA   LEU  46           HA       LEU  46   7.607  18.863   5.692
  797    HB2  LEU  46           HB2      LEU  46   6.768  19.978   3.712
  798    HB3  LEU  46           HB1      LEU  46   8.380  20.541   4.104
  799    HG   LEU  46           HG       LEU  46   8.971  18.594   2.315
  800   HD11  LEU  46          HD11      LEU  46   6.661  18.071   1.834
  801   HD12  LEU  46          HD12      LEU  46   7.405  18.837   0.430
  802   HD13  LEU  46          HD13      LEU  46   6.325  19.764   1.471
  803   HD21  LEU  46          HD21      LEU  46   9.821  20.873   2.291
  804   HD22  LEU  46          HD22      LEU  46   8.265  21.463   1.707
  805   HD23  LEU  46          HD23      LEU  46   9.247  20.409   0.690
  806    H    GLN  47           HN       GLN  47   5.799  17.687   5.697
  807    HA   GLN  47           HA       GLN  47   5.780  15.181   4.235
  808    HB2  GLN  47           HB2      GLN  47   4.599  16.191   6.675
  809    HB3  GLN  47           HB1      GLN  47   3.381  15.427   5.663
  810    HG2  GLN  47           HG2      GLN  47   4.361  13.861   7.252
  811    HG3  GLN  47           HG1      GLN  47   4.681  13.387   5.585
  812   HE21  GLN  47          HE21      GLN  47   6.769  13.506   4.784
  813   HE22  GLN  47          HE22      GLN  47   8.145  13.679   5.813
  814    H    ARG  48           HN       ARG  48   4.858  18.246   3.587
  815    HA   ARG  48           HA       ARG  48   2.282  17.865   2.438
  816    HB2  ARG  48           HB2      ARG  48   4.316  20.021   1.847
  817    HB3  ARG  48           HB1      ARG  48   2.600  20.078   1.467
  818    HG2  ARG  48           HG2      ARG  48   2.075  20.024   3.850
  819    HG3  ARG  48           HG1      ARG  48   3.800  19.985   4.221
  820    HD2  ARG  48           HD2      ARG  48   4.093  22.153   3.152
  821    HD3  ARG  48           HD1      ARG  48   2.383  22.187   2.724
  822    HE   ARG  48           HE       ARG  48   2.623  21.864   5.502
  823   HH11  ARG  48          HH11      ARG  48   3.171  24.256   3.028
  824   HH12  ARG  48          HH12      ARG  48   2.905  25.600   4.087
  825   HH21  ARG  48          HH21      ARG  48   2.269  23.628   6.904
  826   HH22  ARG  48          HH22      ARG  48   2.393  25.243   6.291
  827    H    ASP   1           HT1      ASP   1  -6.345  16.458  15.915
  828    HA   ASP   1           HA       ASP   1  -5.733  15.995  13.633
  829    HB2  ASP   1           HB2      ASP   1  -3.785  14.967  15.710
  830    HB3  ASP   1           HB1      ASP   1  -3.351  15.414  14.063
  831    H    GLU   2           HN       GLU   2  -6.959  14.432  12.573
  832    HA   GLU   2           HA       GLU   2  -5.610  11.997  12.002
  833    HB2  GLU   2           HB2      GLU   2  -7.381  10.447  12.776
  834    HB3  GLU   2           HB1      GLU   2  -6.565  11.261  14.104
  835    HG2  GLU   2           HG2      GLU   2  -8.439  12.833  14.274
  836    HG3  GLU   2           HG1      GLU   2  -9.261  11.975  12.972
  837    H    ASP   3           HN       ASP   3  -7.382  14.466  11.083
  838    HA   ASP   3           HA       ASP   3  -9.322  13.197   9.386
  839    HB2  ASP   3           HB2      ASP   3  -8.290  16.041   9.333
  840    HB3  ASP   3           HB1      ASP   3  -9.730  15.444   8.514
  841    H    THR   4           HN       THR   4  -8.572  15.174   7.140
  842    HA   THR   4           HA       THR   4  -7.057  13.277   5.648
  843    HB   THR   4           HB       THR   4  -7.224  15.963   4.510
  844    HG1  THR   4           HG1      THR   4  -9.653  15.026   4.178
  845   HG21  THR   4          HG21      THR   4  -8.112  14.681   2.583
  846   HG22  THR   4          HG22      THR   4  -8.072  13.221   3.577
  847   HG23  THR   4          HG23      THR   4  -6.570  14.051   3.167
  848    H    TYR   5           HN       TYR   5  -5.055  13.392   4.868
  849    HA   TYR   5           HA       TYR   5  -3.211  15.268   6.189
  850    HB2  TYR   5           HB2      TYR   5  -3.020  12.310   5.795
  851    HB3  TYR   5           HB1      TYR   5  -1.603  13.310   6.103
  852    HD1  TYR   5           HD2      TYR   5  -1.567  14.709   8.223
  853    HD2  TYR   5           HD1      TYR   5  -4.382  11.590   7.561
  854    HE1  TYR   5           HE2      TYR   5  -1.994  14.590  10.640
  855    HE2  TYR   5           HE1      TYR   5  -4.815  11.459   9.977
  856    HH   TYR   5           HH       TYR   5  -3.769  13.845  12.158
  857    H    TYR   6           HN       TYR   6  -1.115  15.501   4.884
  858    HA   TYR   6           HA       TYR   6  -1.586  14.832   2.066
  859    HB2  TYR   6           HB2      TYR   6   0.342  16.952   3.042
  860    HB3  TYR   6           HB1      TYR   6  -0.299  16.743   1.418
  861    HD1  TYR   6           HD1      TYR   6  -3.202  16.332   2.187
  862    HD2  TYR   6           HD2      TYR   6  -0.326  19.200   3.444
  863    HE1  TYR   6           HE1      TYR   6  -5.014  17.912   2.670
  864    HE2  TYR   6           HE2      TYR   6  -2.131  20.797   3.941
  865    HH   TYR   6           HH       TYR   6  -5.394  19.896   4.095
  866    H    LEU   7           HN       LEU   7  -0.294  13.507   1.057
  867    HA   LEU   7           HA       LEU   7   2.113  12.523   2.464
  868    HB2  LEU   7           HB2      LEU   7  -0.180  11.227   1.676
  869    HB3  LEU   7           HB1      LEU   7   0.895  10.925   0.339
  870    HG   LEU   7           HG       LEU   7   2.133   9.436   1.491
  871   HD11  LEU   7          HD11      LEU   7   1.949  11.330   3.675
  872   HD12  LEU   7          HD12      LEU   7   3.241  10.211   3.248
  873   HD13  LEU   7          HD13      LEU   7   1.866   9.649   4.203
  874   HD21  LEU   7          HD21      LEU   7  -0.313   9.383   3.221
  875   HD22  LEU   7          HD22      LEU   7   0.724   8.029   2.767
  876   HD23  LEU   7          HD23      LEU   7  -0.279   8.823   1.549
  877    H    GLN   8           HN       GLN   8   3.860  13.559   1.484
  878    HA   GLN   8           HA       GLN   8   3.795  14.011  -1.316
  879    HB2  GLN   8           HB2      GLN   8   5.155  15.141   0.748
  880    HB3  GLN   8           HB1      GLN   8   6.409  14.161   0.002
  881    HG2  GLN   8           HG2      GLN   8   5.550  15.258  -2.196
  882    HG3  GLN   8           HG1      GLN   8   4.915  16.480  -1.098
  883   HE21  GLN   8          HE21      GLN   8   7.239  15.976   0.755
  884   HE22  GLN   8          HE22      GLN   8   8.560  16.813   0.027
  885    H    VAL   9           HN       VAL   9   4.117  12.555  -2.791
  886    HA   VAL   9           HA       VAL   9   5.944  10.373  -2.157
  887    HB   VAL   9           HB       VAL   9   3.307  10.280  -3.598
  888   HG11  VAL   9          HG11      VAL   9   4.736   9.064  -5.041
  889   HG12  VAL   9          HG12      VAL   9   3.821   7.889  -4.095
  890   HG13  VAL   9          HG13      VAL   9   5.502   8.234  -3.687
  891   HG21  VAL   9          HG21      VAL   9   3.320  10.015  -1.164
  892   HG22  VAL   9          HG22      VAL   9   4.419   8.645  -1.327
  893   HG23  VAL   9          HG23      VAL   9   2.786   8.549  -1.985
  894    H    ARG  10           HN       ARG  10   7.583  10.010  -3.570
  895    HA   ARG  10           HA       ARG  10   7.634  11.751  -5.935
  896    HB2  ARG  10           HB2      ARG  10   9.481  11.679  -4.052
  897    HB3  ARG  10           HB1      ARG  10  10.044  10.272  -4.942
  898    HG2  ARG  10           HG2      ARG  10   9.570  12.899  -6.303
  899    HG3  ARG  10           HG1      ARG  10  11.089  12.539  -5.480
  900    HD2  ARG  10           HD2      ARG  10  11.270  10.484  -6.894
  901    HD3  ARG  10           HD1      ARG  10   9.862  11.046  -7.793
  902    HE   ARG  10           HE       ARG  10  11.824  13.069  -7.730
  903   HH11  ARG  10          HH11      ARG  10  11.165   9.970  -9.182
  904   HH12  ARG  10          HH12      ARG  10  12.118  10.285 -10.593
  905   HH21  ARG  10          HH21      ARG  10  13.081  13.491  -9.584
  906   HH22  ARG  10          HH22      ARG  10  13.208  12.286 -10.822
  907    H    GLY  11           HN       GLY  11   7.865  11.010  -7.942
  908    HA2  GLY  11           HA2      GLY  11   8.339   9.401  -9.616
  909    HA3  GLY  11           HA1      GLY  11   8.380   8.156  -8.376
  910    H    ARG  12           HN       ARG  12   6.736   9.077 -10.990
  911    HA   ARG  12           HA       ARG  12   4.044   9.096 -10.354
  912    HB2  ARG  12           HB2      ARG  12   5.279   9.351 -12.646
  913    HB3  ARG  12           HB1      ARG  12   4.997   7.621 -12.781
  914    HG2  ARG  12           HG2      ARG  12   3.220   8.695 -13.903
  915    HG3  ARG  12           HG1      ARG  12   2.565   8.089 -12.381
  916    HD2  ARG  12           HD2      ARG  12   2.853  10.334 -11.400
  917    HD3  ARG  12           HD1      ARG  12   3.420  10.921 -12.963
  918    HE   ARG  12           HE       ARG  12   0.727   9.772 -12.646
  919   HH11  ARG  12          HH11      ARG  12   2.842  12.362 -13.634
  920   HH12  ARG  12          HH12      ARG  12   1.575  13.286 -14.369
  921   HH21  ARG  12          HH21      ARG  12  -0.943  10.984 -13.610
  922   HH22  ARG  12          HH22      ARG  12  -0.576  12.503 -14.356
  923    H    GLU  13           HN       GLU  13   5.979   6.153 -11.060
  924    HA   GLU  13           HA       GLU  13   3.903   4.342 -10.816
  925    HB2  GLU  13           HB2      GLU  13   5.981   3.521 -11.609
  926    HB3  GLU  13           HB1      GLU  13   6.842   4.095 -10.189
  927    HG2  GLU  13           HG2      GLU  13   5.933   2.369  -8.828
  928    HG3  GLU  13           HG1      GLU  13   4.776   1.911 -10.081
  929    H    ASN  14           HN       ASN  14   5.950   5.720  -8.318
  930    HA   ASN  14           HA       ASN  14   5.011   4.225  -6.126
  931    HB2  ASN  14           HB2      ASN  14   7.142   5.505  -6.226
  932    HB3  ASN  14           HB1      ASN  14   6.226   7.005  -6.251
  933   HD21  ASN  14          HD21      ASN  14   8.166   6.531  -4.389
  934   HD22  ASN  14          HD22      ASN  14   7.439   6.362  -2.831
  935    H    PHE  15           HN       PHE  15   4.182   7.452  -7.343
  936    HA   PHE  15           HA       PHE  15   2.285   8.190  -5.442
  937    HB2  PHE  15           HB2      PHE  15   3.343   9.701  -7.086
  938    HB3  PHE  15           HB1      PHE  15   2.408   8.943  -8.367
  939    HD1  PHE  15           HD1      PHE  15   1.341   9.995  -4.951
  940    HD2  PHE  15           HD2      PHE  15   1.022  10.602  -9.158
  941    HE1  PHE  15           HE1      PHE  15  -0.453  11.616  -4.576
  942    HE2  PHE  15           HE2      PHE  15  -0.801  12.221  -8.778
  943    HZ   PHE  15           HZ       PHE  15  -1.535  12.726  -6.478
  944    H    GLU  16           HN       GLU  16   1.843   6.540  -8.556
  945    HA   GLU  16           HA       GLU  16  -0.985   6.383  -8.503
  946    HB2  GLU  16           HB2      GLU  16   1.060   4.619  -9.857
  947    HB3  GLU  16           HB1      GLU  16  -0.671   4.555 -10.157
  948    HG2  GLU  16           HG2      GLU  16   1.113   6.927 -10.655
  949    HG3  GLU  16           HG1      GLU  16   0.501   5.816 -11.879
  950    H    ILE  17           HN       ILE  17   1.456   4.035  -7.329
  951    HA   ILE  17           HA       ILE  17  -0.454   2.078  -6.675
  952    HB   ILE  17           HB       ILE  17   2.376   2.531  -6.031
  953   HG12  ILE  17          HG12      ILE  17   0.971  -0.082  -6.419
  954   HG13  ILE  17          HG11      ILE  17   1.212   1.006  -7.778
  955   HG21  ILE  17          HG21      ILE  17   0.692   0.771  -4.246
  956   HG22  ILE  17          HG22      ILE  17   1.481   2.274  -3.755
  957   HG23  ILE  17          HG23      ILE  17   2.455   0.881  -4.236
  958   HD11  ILE  17          HD11      ILE  17   3.517   0.833  -7.647
  959   HD12  ILE  17          HD12      ILE  17   2.914  -0.813  -7.402
  960   HD13  ILE  17          HD13      ILE  17   3.458   0.150  -6.021
  961    H    LEU  18           HN       LEU  18   0.871   4.780  -4.761
  962    HA   LEU  18           HA       LEU  18  -0.561   4.044  -2.389
  963    HB2  LEU  18           HB2      LEU  18   1.015   6.438  -3.272
  964    HB3  LEU  18           HB1      LEU  18   0.094   6.452  -1.782
  965    HG   LEU  18           HG       LEU  18   1.876   4.136  -2.049
  966   HD11  LEU  18          HD11      LEU  18   3.919   5.226  -1.859
  967   HD12  LEU  18          HD12      LEU  18   3.165   6.780  -1.514
  968   HD13  LEU  18          HD13      LEU  18   3.097   6.111  -3.144
  969   HD21  LEU  18          HD21      LEU  18   0.873   4.435   0.035
  970   HD22  LEU  18          HD22      LEU  18   1.172   6.172   0.035
  971   HD23  LEU  18          HD23      LEU  18   2.510   5.046   0.261
  972    H    MET  19           HN       MET  19  -1.077   6.278  -5.102
  973    HA   MET  19           HA       MET  19  -3.237   7.650  -3.965
  974    HB2  MET  19           HB2      MET  19  -1.878   8.017  -6.251
  975    HB3  MET  19           HB1      MET  19  -3.263   7.171  -6.918
  976    HG2  MET  19           HG2      MET  19  -3.237   9.788  -5.450
  977    HG3  MET  19           HG1      MET  19  -3.655   9.490  -7.131
  978    HE1  MET  19           HE1      MET  19  -5.952  11.106  -6.395
  979    HE2  MET  19           HE2      MET  19  -5.128  11.113  -4.835
  980    HE3  MET  19           HE3      MET  19  -6.833  10.677  -4.928
  981    H    LYS  20           HN       LYS  20  -3.299   4.839  -6.145
  982    HA   LYS  20           HA       LYS  20  -6.069   4.385  -6.090
  983    HB2  LYS  20           HB2      LYS  20  -5.060   3.088  -7.653
  984    HB3  LYS  20           HB1      LYS  20  -3.661   2.759  -6.646
  985    HG2  LYS  20           HG2      LYS  20  -4.904   0.753  -7.012
  986    HG3  LYS  20           HG1      LYS  20  -5.009   1.191  -5.315
  987    HD2  LYS  20           HD2      LYS  20  -7.113   0.509  -5.851
  988    HD3  LYS  20           HD1      LYS  20  -7.247   2.260  -6.045
  989    HE2  LYS  20           HE2      LYS  20  -6.679   1.826  -8.498
  990    HE3  LYS  20           HE1      LYS  20  -7.000   0.129  -8.139
  991    HZ1  LYS  20           HZ1      LYS  20  -8.938   2.349  -7.758
  992    HZ2  LYS  20           HZ2      LYS  20  -9.237   0.707  -7.482
  993    HZ3  LYS  20           HZ3      LYS  20  -8.945   1.260  -9.053
  994    H    LEU  21           HN       LEU  21  -3.495   3.529  -3.847
  995    HA   LEU  21           HA       LEU  21  -5.153   1.906  -2.213
  996    HB2  LEU  21           HB2      LEU  21  -2.894   1.422  -1.973
  997    HB3  LEU  21           HB1      LEU  21  -2.432   3.110  -1.913
  998    HG   LEU  21           HG       LEU  21  -3.167   3.307   0.365
  999   HD11  LEU  21          HD11      LEU  21  -4.694   0.934  -0.269
 1000   HD12  LEU  21          HD12      LEU  21  -4.927   2.123   1.009
 1001   HD13  LEU  21          HD13      LEU  21  -3.813   0.778   1.250
 1002   HD21  LEU  21          HD21      LEU  21  -1.539   0.840  -0.170
 1003   HD22  LEU  21          HD22      LEU  21  -1.763   1.520   1.441
 1004   HD23  LEU  21          HD23      LEU  21  -0.960   2.467   0.188
 1005    H    LYS  22           HN       LYS  22  -4.292   5.333  -2.108
 1006    HA   LYS  22           HA       LYS  22  -5.375   5.935   0.393
 1007    HB2  LYS  22           HB2      LYS  22  -4.136   7.685  -0.451
 1008    HB3  LYS  22           HB1      LYS  22  -4.713   7.444  -2.091
 1009    HG2  LYS  22           HG2      LYS  22  -6.826   8.336  -0.312
 1010    HG3  LYS  22           HG1      LYS  22  -5.463   9.455  -0.360
 1011    HD2  LYS  22           HD2      LYS  22  -5.605   9.205  -2.913
 1012    HD3  LYS  22           HD1      LYS  22  -7.200   8.511  -2.619
 1013    HE2  LYS  22           HE2      LYS  22  -6.309  11.219  -1.639
 1014    HE3  LYS  22           HE1      LYS  22  -7.229  10.951  -3.117
 1015    HZ1  LYS  22           HZ1      LYS  22  -9.080  10.241  -1.923
 1016    HZ2  LYS  22           HZ2      LYS  22  -8.512  11.558  -1.026
 1017    HZ3  LYS  22           HZ3      LYS  22  -8.200   9.982  -0.504
 1018    H    GLU  23           HN       GLU  23  -6.746   5.669  -2.811
 1019    HA   GLU  23           HA       GLU  23  -9.374   6.504  -2.129
 1020    HB2  GLU  23           HB2      GLU  23  -8.834   6.604  -4.425
 1021    HB3  GLU  23           HB1      GLU  23  -8.171   4.982  -4.429
 1022    HG2  GLU  23           HG2      GLU  23 -10.377   4.035  -4.230
 1023    HG3  GLU  23           HG1      GLU  23 -11.082   5.645  -4.107
 1024    H    SER  24           HN       SER  24  -7.865   3.273  -2.393
 1025    HA   SER  24           HA       SER  24 -10.173   1.866  -1.750
 1026    HB2  SER  24           HB2      SER  24  -8.701  -0.029  -1.208
 1027    HB3  SER  24           HB1      SER  24  -8.168   0.786  -2.677
 1028    HG   SER  24           HG       SER  24  -6.504   0.259  -1.062
 1029    H    LEU  25           HN       LEU  25  -7.590   3.017   0.416
 1030    HA   LEU  25           HA       LEU  25  -8.662   1.991   2.847
 1031    HB2  LEU  25           HB2      LEU  25  -6.615   4.011   2.083
 1032    HB3  LEU  25           HB1      LEU  25  -7.249   4.059   3.714
 1033    HG   LEU  25           HG       LEU  25  -6.034   1.571   2.526
 1034   HD11  LEU  25          HD11      LEU  25  -3.981   2.138   3.670
 1035   HD12  LEU  25          HD12      LEU  25  -4.687   3.645   4.254
 1036   HD13  LEU  25          HD13      LEU  25  -4.394   3.418   2.529
 1037   HD21  LEU  25          HD21      LEU  25  -5.809   0.908   4.852
 1038   HD22  LEU  25          HD22      LEU  25  -7.496   1.264   4.474
 1039   HD23  LEU  25          HD23      LEU  25  -6.524   2.434   5.374
 1040    H    GLU  26           HN       GLU  26  -8.948   5.182   1.296
 1041    HA   GLU  26           HA       GLU  26 -10.448   6.369   3.383
 1042    HB2  GLU  26           HB2      GLU  26  -9.931   7.064   0.523
 1043    HB3  GLU  26           HB1      GLU  26 -11.165   7.942   1.419
 1044    HG2  GLU  26           HG2      GLU  26  -9.383   8.366   3.172
 1045    HG3  GLU  26           HG1      GLU  26  -8.223   7.776   1.983
 1046    H    LEU  27           HN       LEU  27 -11.421   4.823   0.346
 1047    HA   LEU  27           HA       LEU  27 -14.229   5.217   0.613
 1048    HB2  LEU  27           HB2      LEU  27 -12.477   3.353  -0.934
 1049    HB3  LEU  27           HB1      LEU  27 -14.212   3.118  -0.899
 1050    HG   LEU  27           HG       LEU  27 -12.966   5.713  -1.766
 1051   HD11  LEU  27          HD11      LEU  27 -12.993   5.023  -4.006
 1052   HD12  LEU  27          HD12      LEU  27 -13.896   3.556  -3.629
 1053   HD13  LEU  27          HD13      LEU  27 -12.210   3.707  -3.130
 1054   HD21  LEU  27          HD21      LEU  27 -15.127   5.989  -2.902
 1055   HD22  LEU  27          HD22      LEU  27 -15.321   5.801  -1.160
 1056   HD23  LEU  27          HD23      LEU  27 -15.662   4.445  -2.237
 1057    H    MET  28           HN       MET  28 -12.051   2.824   2.045
 1058    HA   MET  28           HA       MET  28 -14.007   0.995   2.596
 1059    HB2  MET  28           HB2      MET  28 -11.381   1.005   3.076
 1060    HB3  MET  28           HB1      MET  28 -11.934   1.373   4.705
 1061    HG2  MET  28           HG2      MET  28 -11.554  -1.105   3.899
 1062    HG3  MET  28           HG1      MET  28 -12.863  -0.683   5.008
 1063    HE1  MET  28           HE1      MET  28 -12.573   0.193   1.282
 1064    HE2  MET  28           HE2      MET  28 -13.541  -1.036   0.473
 1065    HE3  MET  28           HE3      MET  28 -11.987  -1.465   1.182
 1066    H    GLU  29           HN       GLU  29 -13.897   4.117   3.820
 1067    HA   GLU  29           HA       GLU  29 -15.309   3.463   6.276
 1068    HB2  GLU  29           HB2      GLU  29 -15.047   5.699   6.878
 1069    HB3  GLU  29           HB1      GLU  29 -13.574   5.350   5.985
 1070    HG2  GLU  29           HG2      GLU  29 -14.607   6.375   3.980
 1071    HG3  GLU  29           HG1      GLU  29 -15.996   6.816   4.968
 1072    H    LEU  30           HN       LEU  30 -15.992   4.035   3.016
 1073    HA   LEU  30           HA       LEU  30 -18.655   5.092   3.572
 1074    HB2  LEU  30           HB2      LEU  30 -18.424   6.301   1.739
 1075    HB3  LEU  30           HB1      LEU  30 -16.759   5.772   1.689
 1076    HG   LEU  30           HG       LEU  30 -18.995   4.346   0.267
 1077   HD11  LEU  30          HD11      LEU  30 -18.201   5.460  -1.758
 1078   HD12  LEU  30          HD12      LEU  30 -17.046   6.385  -0.796
 1079   HD13  LEU  30          HD13      LEU  30 -18.777   6.631  -0.570
 1080   HD21  LEU  30          HD21      LEU  30 -15.999   4.181   0.062
 1081   HD22  LEU  30          HD22      LEU  30 -17.118   3.418  -1.064
 1082   HD23  LEU  30          HD23      LEU  30 -17.096   2.922   0.627
 1083    H    VAL  31           HN       VAL  31 -17.240   2.144   3.263
 1084    HA   VAL  31           HA       VAL  31 -19.481   0.962   1.811
 1085    HB   VAL  31           HB       VAL  31 -17.479  -0.828   3.018
 1086   HG11  VAL  31          HG11      VAL  31 -18.761  -2.027   1.632
 1087   HG12  VAL  31          HG12      VAL  31 -17.621  -1.451   0.419
 1088   HG13  VAL  31          HG13      VAL  31 -19.167  -0.635   0.630
 1089   HG21  VAL  31          HG21      VAL  31 -16.718   1.161   0.898
 1090   HG22  VAL  31          HG22      VAL  31 -15.849  -0.348   1.162
 1091   HG23  VAL  31          HG23      VAL  31 -15.923   0.864   2.441
 1092    HA   PRO  32           HA       PRO  32 -21.847   0.469   5.534
 1093    HB2  PRO  32           HB2      PRO  32 -22.567  -2.069   4.093
 1094    HB3  PRO  32           HB1      PRO  32 -23.619  -0.942   4.960
 1095    HG2  PRO  32           HG2      PRO  32 -23.441  -0.878   2.296
 1096    HG3  PRO  32           HG1      PRO  32 -23.596   0.612   3.244
 1097    HD2  PRO  32           HD2      PRO  32 -21.248  -0.464   1.797
 1098    HD3  PRO  32           HD1      PRO  32 -21.635   1.212   2.235
 1099    H    GLN  33           HN       GLN  33 -21.137  -0.284   7.431
 1100    HA   GLN  33           HA       GLN  33 -18.944  -1.900   7.807
 1101    HB2  GLN  33           HB2      GLN  33 -19.806  -0.437   9.543
 1102    HB3  GLN  33           HB1      GLN  33 -21.249  -1.429   9.699
 1103    HG2  GLN  33           HG2      GLN  33 -19.901  -3.292  10.493
 1104    HG3  GLN  33           HG1      GLN  33 -18.439  -2.324  10.304
 1105   HE21  GLN  33          HE21      GLN  33 -17.921  -2.506  12.478
 1106   HE22  GLN  33          HE22      GLN  33 -18.785  -1.654  13.708
 1107    HA   PRO  34           HA       PRO  34 -21.949  -5.652   8.742
 1108    HB2  PRO  34           HB2      PRO  34 -24.197  -5.635   7.140
 1109    HB3  PRO  34           HB1      PRO  34 -24.162  -5.153   8.839
 1110    HG2  PRO  34           HG2      PRO  34 -24.061  -3.451   6.383
 1111    HG3  PRO  34           HG1      PRO  34 -24.945  -3.184   7.898
 1112    HD2  PRO  34           HD2      PRO  34 -22.666  -1.887   7.371
 1113    HD3  PRO  34           HD1      PRO  34 -23.052  -2.436   9.015
 1114    H    LEU  35           HN       LEU  35 -21.689  -4.134   5.569
 1115    HA   LEU  35           HA       LEU  35 -21.679  -6.615   4.126
 1116    HB2  LEU  35           HB2      LEU  35 -22.570  -4.599   3.107
 1117    HB3  LEU  35           HB1      LEU  35 -21.047  -3.768   3.339
 1118    HG   LEU  35           HG       LEU  35 -19.988  -5.274   1.728
 1119   HD11  LEU  35          HD11      LEU  35 -22.755  -6.389   1.347
 1120   HD12  LEU  35          HD12      LEU  35 -21.367  -7.244   2.021
 1121   HD13  LEU  35          HD13      LEU  35 -21.357  -6.740   0.330
 1122   HD21  LEU  35          HD21      LEU  35 -20.921  -3.145   0.990
 1123   HD22  LEU  35          HD22      LEU  35 -22.468  -3.932   0.679
 1124   HD23  LEU  35          HD23      LEU  35 -21.047  -4.374  -0.269
 1125    H    VAL  36           HN       VAL  36 -19.333  -4.428   5.501
 1126    HA   VAL  36           HA       VAL  36 -17.036  -5.617   4.212
 1127    HB   VAL  36           HB       VAL  36 -17.275  -3.785   6.615
 1128   HG11  VAL  36          HG11      VAL  36 -14.794  -4.900   5.314
 1129   HG12  VAL  36          HG12      VAL  36 -15.331  -5.154   6.975
 1130   HG13  VAL  36          HG13      VAL  36 -14.805  -3.554   6.452
 1131   HG21  VAL  36          HG21      VAL  36 -16.265  -2.126   5.130
 1132   HG22  VAL  36          HG22      VAL  36 -17.769  -2.753   4.454
 1133   HG23  VAL  36          HG23      VAL  36 -16.218  -3.314   3.827
 1134    H    ASP  37           HN       ASP  37 -18.761  -6.041   7.258
 1135    HA   ASP  37           HA       ASP  37 -16.957  -7.798   8.493
 1136    HB2  ASP  37           HB2      ASP  37 -18.840  -6.849   9.717
 1137    HB3  ASP  37           HB1      ASP  37 -19.981  -7.679   8.663
 1138    H    SER  38           HN       SER  38 -19.667  -8.402   6.242
 1139    HA   SER  38           HA       SER  38 -19.495 -11.188   6.206
 1140    HB2  SER  38           HB2      SER  38 -21.362  -9.957   5.191
 1141    HB3  SER  38           HB1      SER  38 -20.281  -9.325   3.949
 1142    HG   SER  38           HG       SER  38 -20.845 -11.056   2.901
 1143    H    TYR  39           HN       TYR  39 -17.798  -8.780   4.207
 1144    HA   TYR  39           HA       TYR  39 -16.420 -10.597   2.567
 1145    HB2  TYR  39           HB2      TYR  39 -16.312  -8.406   1.802
 1146    HB3  TYR  39           HB1      TYR  39 -15.963  -7.755   3.401
 1147    HD1  TYR  39           HD2      TYR  39 -14.502  -9.614   0.555
 1148    HD2  TYR  39           HD1      TYR  39 -13.730  -7.448   4.134
 1149    HE1  TYR  39           HE2      TYR  39 -12.108  -9.587   0.016
 1150    HE2  TYR  39           HE1      TYR  39 -11.340  -7.426   3.614
 1151    HH   TYR  39           HH       TYR  39  -9.724  -8.682   2.272
 1152    H    ARG  40           HN       ARG  40 -15.526  -9.071   5.637
 1153    HA   ARG  40           HA       ARG  40 -12.948 -10.080   5.885
 1154    HB2  ARG  40           HB2      ARG  40 -15.000  -9.368   7.978
 1155    HB3  ARG  40           HB1      ARG  40 -13.349  -9.826   8.376
 1156    HG2  ARG  40           HG2      ARG  40 -12.511  -7.946   7.064
 1157    HG3  ARG  40           HG1      ARG  40 -14.169  -7.484   6.676
 1158    HD2  ARG  40           HD2      ARG  40 -14.629  -7.146   9.055
 1159    HD3  ARG  40           HD1      ARG  40 -12.973  -7.612   9.442
 1160    HE   ARG  40           HE       ARG  40 -12.851  -5.505   7.626
 1161   HH11  ARG  40          HH11      ARG  40 -13.944  -6.087  10.884
 1162   HH12  ARG  40          HH12      ARG  40 -13.650  -4.464  11.410
 1163   HH21  ARG  40          HH21      ARG  40 -12.462  -3.366   8.310
 1164   HH22  ARG  40          HH22      ARG  40 -12.808  -2.917   9.947
 1165    H    GLN  41           HN       GLN  41 -16.049 -11.554   6.526
 1166    HA   GLN  41           HA       GLN  41 -15.087 -13.885   7.857
 1167    HB2  GLN  41           HB2      GLN  41 -17.447 -13.172   7.944
 1168    HB3  GLN  41           HB1      GLN  41 -17.600 -13.465   6.218
 1169    HG2  GLN  41           HG2      GLN  41 -17.171 -15.836   6.577
 1170    HG3  GLN  41           HG1      GLN  41 -17.007 -15.546   8.308
 1171   HE21  GLN  41          HE21      GLN  41 -18.841 -15.049   9.523
 1172   HE22  GLN  41          HE22      GLN  41 -20.437 -15.358   8.939
 1173    H    GLN  42           HN       GLN  42 -15.956 -13.218   4.472
 1174    HA   GLN  42           HA       GLN  42 -15.313 -15.740   3.437
 1175    HB2  GLN  42           HB2      GLN  42 -16.582 -14.173   2.119
 1176    HB3  GLN  42           HB1      GLN  42 -15.275 -12.999   2.162
 1177    HG2  GLN  42           HG2      GLN  42 -13.894 -14.450   0.801
 1178    HG3  GLN  42           HG1      GLN  42 -15.155 -15.682   0.803
 1179   HE21  GLN  42          HE21      GLN  42 -14.171 -12.581  -0.415
 1180   HE22  GLN  42          HE22      GLN  42 -15.358 -12.467  -1.665
 1181    H    GLN  43           HN       GLN  43 -13.368 -12.992   4.275
 1182    HA   GLN  43           HA       GLN  43 -10.959 -13.993   3.035
 1183    HB2  GLN  43           HB2      GLN  43 -11.297 -11.599   3.144
 1184    HB3  GLN  43           HB1      GLN  43 -11.512 -11.667   4.886
 1185    HG2  GLN  43           HG2      GLN  43  -9.090 -12.653   4.841
 1186    HG3  GLN  43           HG1      GLN  43  -9.023 -11.852   3.271
 1187   HE21  GLN  43          HE21      GLN  43  -9.181  -9.602   3.173
 1188   HE22  GLN  43          HE22      GLN  43  -8.907  -8.608   4.558
 1189    H    GLN  44           HN       GLN  44 -12.530 -14.050   6.120
 1190    HA   GLN  44           HA       GLN  44 -10.313 -14.752   7.731
 1191    HB2  GLN  44           HB2      GLN  44 -12.833 -13.997   8.289
 1192    HB3  GLN  44           HB1      GLN  44 -13.009 -15.733   8.492
 1193    HG2  GLN  44           HG2      GLN  44 -12.510 -14.649  10.602
 1194    HG3  GLN  44           HG1      GLN  44 -11.206 -15.737  10.127
 1195   HE21  GLN  44          HE21      GLN  44  -9.226 -14.867   9.469
 1196   HE22  GLN  44          HE22      GLN  44  -8.788 -13.231   9.812
 1197    H    LEU  45           HN       LEU  45 -12.272 -16.489   5.521
 1198    HA   LEU  45           HA       LEU  45 -12.169 -19.088   6.458
 1199    HB2  LEU  45           HB2      LEU  45 -13.441 -18.705   4.526
 1200    HB3  LEU  45           HB1      LEU  45 -12.114 -17.915   3.697
 1201    HG   LEU  45           HG       LEU  45 -10.969 -20.215   3.711
 1202   HD11  LEU  45          HD11      LEU  45 -12.432 -21.277   5.345
 1203   HD12  LEU  45          HD12      LEU  45 -12.479 -22.130   3.802
 1204   HD13  LEU  45          HD13      LEU  45 -13.808 -21.067   4.263
 1205   HD21  LEU  45          HD21      LEU  45 -13.451 -19.709   2.074
 1206   HD22  LEU  45          HD22      LEU  45 -12.220 -20.914   1.697
 1207   HD23  LEU  45          HD23      LEU  45 -11.806 -19.199   1.690
 1208    H    LEU  46           HN       LEU  46  -9.743 -17.383   4.476
 1209    HA   LEU  46           HA       LEU  46  -7.624 -18.861   5.697
 1210    HB2  LEU  46           HB2      LEU  46  -6.784 -19.977   3.717
 1211    HB3  LEU  46           HB1      LEU  46  -8.397 -20.539   4.108
 1212    HG   LEU  46           HG       LEU  46  -8.987 -18.593   2.319
 1213   HD11  LEU  46          HD11      LEU  46  -6.676 -18.070   1.838
 1214   HD12  LEU  46          HD12      LEU  46  -7.420 -18.837   0.435
 1215   HD13  LEU  46          HD13      LEU  46  -6.340 -19.763   1.477
 1216   HD21  LEU  46          HD21      LEU  46  -9.837 -20.871   2.295
 1217   HD22  LEU  46          HD22      LEU  46  -8.281 -21.461   1.712
 1218   HD23  LEU  46          HD23      LEU  46  -9.262 -20.406   0.694
 1219    H    GLN  47           HN       GLN  47  -5.815 -17.686   5.703
 1220    HA   GLN  47           HA       GLN  47  -5.793 -15.180   4.239
 1221    HB2  GLN  47           HB2      GLN  47  -4.615 -16.190   6.680
 1222    HB3  GLN  47           HB1      GLN  47  -3.396 -15.426   5.670
 1223    HG2  GLN  47           HG2      GLN  47  -4.377 -13.859   7.257
 1224    HG3  GLN  47           HG1      GLN  47  -4.696 -13.387   5.589
 1225   HE21  GLN  47          HE21      GLN  47  -6.782 -13.502   4.786
 1226   HE22  GLN  47          HE22      GLN  47  -8.160 -13.675   5.815
 1227    H    ARG  48           HN       ARG  48  -4.874 -18.245   3.593
 1228    HA   ARG  48           HA       ARG  48  -2.297 -17.866   2.444
 1229    HB2  ARG  48           HB2      ARG  48  -4.332 -20.022   1.853
 1230    HB3  ARG  48           HB1      ARG  48  -2.616 -20.079   1.475
 1231    HG2  ARG  48           HG2      ARG  48  -2.092 -20.025   3.858
 1232    HG3  ARG  48           HG1      ARG  48  -3.817 -19.985   4.228
 1233    HD2  ARG  48           HD2      ARG  48  -4.110 -22.154   3.160
 1234    HD3  ARG  48           HD1      ARG  48  -2.400 -22.188   2.733
 1235    HE   ARG  48           HE       ARG  48  -2.641 -21.865   5.511
 1236   HH11  ARG  48          HH11      ARG  48  -3.191 -24.257   3.036
 1237   HH12  ARG  48          HH12      ARG  48  -2.925 -25.601   4.095
 1238   HH21  ARG  48          HH21      ARG  48  -2.289 -23.629   6.912
 1239   HH22  ARG  48          HH22      ARG  48  -2.414 -25.244   6.299
 1240    H    ASP   1           HT1      ASP   1   6.357  16.451 -15.913
 1241    HA   ASP   1           HA       ASP   1   5.746  15.986 -13.632
 1242    HB2  ASP   1           HB2      ASP   1   3.796  14.961 -15.708
 1243    HB3  ASP   1           HB1      ASP   1   3.364  15.409 -14.061
 1244    H    GLU   2           HN       GLU   2   6.970  14.423 -12.573
 1245    HA   GLU   2           HA       GLU   2   5.619  11.989 -12.003
 1246    HB2  GLU   2           HB2      GLU   2   7.388  10.437 -12.776
 1247    HB3  GLU   2           HB1      GLU   2   6.573  11.251 -14.104
 1248    HG2  GLU   2           HG2      GLU   2   8.449  12.822 -14.274
 1249    HG3  GLU   2           HG1      GLU   2   9.270  11.962 -12.972
 1250    H    ASP   3           HN       ASP   3   7.395  14.456 -11.084
 1251    HA   ASP   3           HA       ASP   3   9.335  13.186  -9.386
 1252    HB2  ASP   3           HB2      ASP   3   8.305  16.031  -9.333
 1253    HB3  ASP   3           HB1      ASP   3   9.745  15.433  -8.514
 1254    H    THR   4           HN       THR   4   8.586  15.164  -7.140
 1255    HA   THR   4           HA       THR   4   7.070  13.269  -5.647
 1256    HB   THR   4           HB       THR   4   7.240  15.954  -4.510
 1257    HG1  THR   4           HG1      THR   4   9.669  15.017  -4.179
 1258   HG21  THR   4          HG21      THR   4   8.128  14.671  -2.583
 1259   HG22  THR   4          HG22      THR   4   8.086  13.212  -3.577
 1260   HG23  THR   4          HG23      THR   4   6.585  14.044  -3.167
 1261    H    TYR   5           HN       TYR   5   5.069  13.386  -4.866
 1262    HA   TYR   5           HA       TYR   5   3.226  15.264  -6.186
 1263    HB2  TYR   5           HB2      TYR   5   3.032  12.306  -5.793
 1264    HB3  TYR   5           HB1      TYR   5   1.616  13.308  -6.100
 1265    HD1  TYR   5           HD2      TYR   5   1.580  14.706  -8.221
 1266    HD2  TYR   5           HD1      TYR   5   4.392  11.585  -7.558
 1267    HE1  TYR   5           HE2      TYR   5   2.007  14.587 -10.638
 1268    HE2  TYR   5           HE1      TYR   5   4.826  11.453  -9.973
 1269    HH   TYR   5           HH       TYR   5   3.779  13.839 -12.156
 1270    H    TYR   6           HN       TYR   6   1.131  15.499  -4.881
 1271    HA   TYR   6           HA       TYR   6   1.602  14.830  -2.063
 1272    HB2  TYR   6           HB2      TYR   6  -0.323  16.953  -3.038
 1273    HB3  TYR   6           HB1      TYR   6   0.317  16.742  -1.414
 1274    HD1  TYR   6           HD1      TYR   6   3.221  16.328  -2.185
 1275    HD2  TYR   6           HD2      TYR   6   0.347  19.199  -3.440
 1276    HE1  TYR   6           HE1      TYR   6   5.034  17.906  -2.670
 1277    HE2  TYR   6           HE2      TYR   6   2.153  20.793  -3.939
 1278    HH   TYR   6           HH       TYR   6   5.415  19.889  -4.093
 1279    H    LEU   7           HN       LEU   7   0.309  13.506  -1.054
 1280    HA   LEU   7           HA       LEU   7  -2.099  12.525  -2.461
 1281    HB2  LEU   7           HB2      LEU   7   0.193  11.227  -1.674
 1282    HB3  LEU   7           HB1      LEU   7  -0.881  10.926  -0.336
 1283    HG   LEU   7           HG       LEU   7  -2.122   9.439  -1.488
 1284   HD11  LEU   7          HD11      LEU   7  -1.937  11.332  -3.671
 1285   HD12  LEU   7          HD12      LEU   7  -3.230  10.214  -3.244
 1286   HD13  LEU   7          HD13      LEU   7  -1.856   9.651  -4.200
 1287   HD21  LEU   7          HD21      LEU   7   0.323   9.383  -3.219
 1288   HD22  LEU   7          HD22      LEU   7  -0.715   8.029  -2.764
 1289   HD23  LEU   7          HD23      LEU   7   0.289   8.822  -1.546
 1290    H    GLN   8           HN       GLN   8  -3.845  13.564  -1.480
 1291    HA   GLN   8           HA       GLN   8  -3.779  14.015   1.320
 1292    HB2  GLN   8           HB2      GLN   8  -5.138  15.146  -0.744
 1293    HB3  GLN   8           HB1      GLN   8  -6.393  14.168   0.004
 1294    HG2  GLN   8           HG2      GLN   8  -5.532  15.265   2.201
 1295    HG3  GLN   8           HG1      GLN   8  -4.895  16.485   1.102
 1296   HE21  GLN   8          HE21      GLN   8  -7.220  15.986  -0.750
 1297   HE22  GLN   8          HE22      GLN   8  -8.539  16.826  -0.022
 1298    H    VAL   9           HN       VAL   9  -4.102  12.559   2.796
 1299    HA   VAL   9           HA       VAL   9  -5.932  10.379   2.162
 1300    HB   VAL   9           HB       VAL   9  -3.294  10.285   3.602
 1301   HG11  VAL   9          HG11      VAL   9  -4.723   9.070   5.046
 1302   HG12  VAL   9          HG12      VAL   9  -3.810   7.894   4.100
 1303   HG13  VAL   9          HG13      VAL   9  -5.491   8.241   3.692
 1304   HG21  VAL   9          HG21      VAL   9  -3.308  10.019   1.168
 1305   HG22  VAL   9          HG22      VAL   9  -4.408   8.650   1.331
 1306   HG23  VAL   9          HG23      VAL   9  -2.775   8.552   1.990
 1307    H    ARG  10           HN       ARG  10  -7.571  10.019   3.576
 1308    HA   ARG  10           HA       ARG  10  -7.619  11.760   5.941
 1309    HB2  ARG  10           HB2      ARG  10  -9.467  11.691   4.058
 1310    HB3  ARG  10           HB1      ARG  10 -10.033  10.286   4.949
 1311    HG2  ARG  10           HG2      ARG  10  -9.553  12.911   6.310
 1312    HG3  ARG  10           HG1      ARG  10 -11.073  12.554   5.489
 1313    HD2  ARG  10           HD2      ARG  10 -11.255  10.498   6.901
 1314    HD3  ARG  10           HD1      ARG  10  -9.847  11.059   7.800
 1315    HE   ARG  10           HE       ARG  10 -11.807  13.083   7.737
 1316   HH11  ARG  10          HH11      ARG  10 -11.151   9.984   9.190
 1317   HH12  ARG  10          HH12      ARG  10 -12.104  10.300  10.601
 1318   HH21  ARG  10          HH21      ARG  10 -13.063  13.507   9.593
 1319   HH22  ARG  10          HH22      ARG  10 -13.190  12.302  10.830
 1320    H    GLY  11           HN       GLY  11  -7.847  11.019   7.948
 1321    HA2  GLY  11           HA2      GLY  11  -8.325   9.412   9.623
 1322    HA3  GLY  11           HA1      GLY  11  -8.368   8.166   8.383
 1323    H    ARG  12           HN       ARG  12  -6.721   9.086  10.997
 1324    HA   ARG  12           HA       ARG  12  -4.030   9.101  10.360
 1325    HB2  ARG  12           HB2      ARG  12  -5.263   9.358  12.652
 1326    HB3  ARG  12           HB1      ARG  12  -4.983   7.627  12.787
 1327    HG2  ARG  12           HG2      ARG  12  -3.204   8.700  13.907
 1328    HG3  ARG  12           HG1      ARG  12  -2.551   8.093  12.385
 1329    HD2  ARG  12           HD2      ARG  12  -2.837  10.338  11.404
 1330    HD3  ARG  12           HD1      ARG  12  -3.403  10.926  12.967
 1331    HE   ARG  12           HE       ARG  12  -0.712   9.773  12.649
 1332   HH11  ARG  12          HH11      ARG  12  -2.822  12.366  13.638
 1333   HH12  ARG  12          HH12      ARG  12  -1.554  13.289  14.372
 1334   HH21  ARG  12          HH21      ARG  12   0.962  10.983  13.612
 1335   HH22  ARG  12          HH22      ARG  12   0.596  12.504  14.357
 1336    H    GLU  13           HN       GLU  13  -5.968   6.160  11.065
 1337    HA   GLU  13           HA       GLU  13  -3.894   4.346  10.821
 1338    HB2  GLU  13           HB2      GLU  13  -5.974   3.529  11.614
 1339    HB3  GLU  13           HB1      GLU  13  -6.833   4.105  10.194
 1340    HG2  GLU  13           HG2      GLU  13  -5.927   2.376   8.834
 1341    HG3  GLU  13           HG1      GLU  13  -4.771   1.917  10.086
 1342    H    ASN  14           HN       ASN  14  -5.940   5.727   8.324
 1343    HA   ASN  14           HA       ASN  14  -5.004   4.231   6.132
 1344    HB2  ASN  14           HB2      ASN  14  -7.134   5.516   6.233
 1345    HB3  ASN  14           HB1      ASN  14  -6.215   7.013   6.255
 1346   HD21  ASN  14          HD21      ASN  14  -8.157   6.540   4.395
 1347   HD22  ASN  14          HD22      ASN  14  -7.429   6.369   2.837
 1348    H    PHE  15           HN       PHE  15  -4.171   7.458   7.347
 1349    HA   PHE  15           HA       PHE  15  -2.274   8.193   5.446
 1350    HB2  PHE  15           HB2      PHE  15  -3.330   9.706   7.089
 1351    HB3  PHE  15           HB1      PHE  15  -2.395   8.947   8.371
 1352    HD1  PHE  15           HD1      PHE  15  -1.328   9.998   4.955
 1353    HD2  PHE  15           HD2      PHE  15  -1.006  10.604   9.162
 1354    HE1  PHE  15           HE1      PHE  15   0.468  11.617   4.580
 1355    HE2  PHE  15           HE2      PHE  15   0.818  12.220   8.781
 1356    HZ   PHE  15           HZ       PHE  15   1.552  12.725   6.482
 1357    H    GLU  16           HN       GLU  16  -1.831   6.543   8.561
 1358    HA   GLU  16           HA       GLU  16   0.995   6.382   8.506
 1359    HB2  GLU  16           HB2      GLU  16  -1.050   4.620   9.860
 1360    HB3  GLU  16           HB1      GLU  16   0.681   4.555  10.160
 1361    HG2  GLU  16           HG2      GLU  16  -1.101   6.928  10.659
 1362    HG3  GLU  16           HG1      GLU  16  -0.489   5.816  11.882
 1363    H    ILE  17           HN       ILE  17  -1.449   4.039   7.331
 1364    HA   ILE  17           HA       ILE  17   0.458   2.079   6.679
 1365    HB   ILE  17           HB       ILE  17  -2.371   2.535   6.035
 1366   HG12  ILE  17          HG12      ILE  17  -0.971  -0.080   6.421
 1367   HG13  ILE  17          HG11      ILE  17  -1.208   1.006   7.782
 1368   HG21  ILE  17          HG21      ILE  17  -0.689   0.774   4.250
 1369   HG22  ILE  17          HG22      ILE  17  -1.477   2.277   3.760
 1370   HG23  ILE  17          HG23      ILE  17  -2.453   0.885   4.240
 1371   HD11  ILE  17          HD11      ILE  17  -3.514   0.838   7.652
 1372   HD12  ILE  17          HD12      ILE  17  -2.914  -0.809   7.405
 1373   HD13  ILE  17          HD13      ILE  17  -3.457   0.155   6.026
 1374    H    LEU  18           HN       LEU  18  -0.865   4.780   4.763
 1375    HA   LEU  18           HA       LEU  18   0.566   4.043   2.392
 1376    HB2  LEU  18           HB2      LEU  18  -1.007   6.438   3.276
 1377    HB3  LEU  18           HB1      LEU  18  -0.086   6.452   1.785
 1378    HG   LEU  18           HG       LEU  18  -1.872   4.138   2.053
 1379   HD11  LEU  18          HD11      LEU  18  -3.913   5.230   1.864
 1380   HD12  LEU  18          HD12      LEU  18  -3.157   6.783   1.519
 1381   HD13  LEU  18          HD13      LEU  18  -3.089   6.114   3.149
 1382   HD21  LEU  18          HD21      LEU  18  -0.868   4.436  -0.032
 1383   HD22  LEU  18          HD22      LEU  18  -1.165   6.174  -0.031
 1384   HD23  LEU  18          HD23      LEU  18  -2.505   5.050  -0.257
 1385    H    MET  19           HN       MET  19   1.086   6.278   5.104
 1386    HA   MET  19           HA       MET  19   3.248   7.647   3.967
 1387    HB2  MET  19           HB2      MET  19   1.889   8.015   6.255
 1388    HB3  MET  19           HB1      MET  19   3.275   7.167   6.921
 1389    HG2  MET  19           HG2      MET  19   3.250   9.784   5.452
 1390    HG3  MET  19           HG1      MET  19   3.669   9.486   7.133
 1391    HE1  MET  19           HE1      MET  19   5.967  11.099   6.395
 1392    HE2  MET  19           HE2      MET  19   5.143  11.108   4.836
 1393    HE3  MET  19           HE3      MET  19   6.848  10.669   4.929
 1394    H    LYS  20           HN       LYS  20   3.306   4.835   6.146
 1395    HA   LYS  20           HA       LYS  20   6.076   4.378   6.091
 1396    HB2  LYS  20           HB2      LYS  20   5.065   3.082   7.654
 1397    HB3  LYS  20           HB1      LYS  20   3.665   2.753   6.647
 1398    HG2  LYS  20           HG2      LYS  20   4.908   0.747   7.014
 1399    HG3  LYS  20           HG1      LYS  20   5.012   1.184   5.317
 1400    HD2  LYS  20           HD2      LYS  20   7.115   0.500   5.852
 1401    HD3  LYS  20           HD1      LYS  20   7.251   2.252   6.045
 1402    HE2  LYS  20           HE2      LYS  20   6.684   1.819   8.499
 1403    HE3  LYS  20           HE1      LYS  20   7.002   0.121   8.140
 1404    HZ1  LYS  20           HZ1      LYS  20   8.944   2.338   7.756
 1405    HZ2  LYS  20           HZ2      LYS  20   9.239   0.695   7.480
 1406    HZ3  LYS  20           HZ3      LYS  20   8.950   1.249   9.052
 1407    H    LEU  21           HN       LEU  21   3.500   3.525   3.850
 1408    HA   LEU  21           HA       LEU  21   5.155   1.900   2.215
 1409    HB2  LEU  21           HB2      LEU  21   2.895   1.418   1.976
 1410    HB3  LEU  21           HB1      LEU  21   2.435   3.107   1.915
 1411    HG   LEU  21           HG       LEU  21   3.169   3.303  -0.362
 1412   HD11  LEU  21          HD11      LEU  21   4.694   0.928   0.270
 1413   HD12  LEU  21          HD12      LEU  21   4.927   2.116  -1.008
 1414   HD13  LEU  21          HD13      LEU  21   3.811   0.772  -1.247
 1415   HD21  LEU  21          HD21      LEU  21   1.539   0.839   0.173
 1416   HD22  LEU  21          HD22      LEU  21   1.763   1.517  -1.438
 1417   HD23  LEU  21          HD23      LEU  21   0.962   2.466  -0.185
 1418    H    LYS  22           HN       LYS  22   4.298   5.329   2.109
 1419    HA   LYS  22           HA       LYS  22   5.382   5.929  -0.392
 1420    HB2  LYS  22           HB2      LYS  22   4.145   7.682   0.451
 1421    HB3  LYS  22           HB1      LYS  22   4.720   7.439   2.091
 1422    HG2  LYS  22           HG2      LYS  22   6.836   8.328   0.313
 1423    HG3  LYS  22           HG1      LYS  22   5.475   9.450   0.362
 1424    HD2  LYS  22           HD2      LYS  22   5.618   9.198   2.915
 1425    HD3  LYS  22           HD1      LYS  22   7.212   8.503   2.620
 1426    HE2  LYS  22           HE2      LYS  22   6.323  11.212   1.639
 1427    HE3  LYS  22           HE1      LYS  22   7.242  10.943   3.117
 1428    HZ1  LYS  22           HZ1      LYS  22   9.093  10.230   1.922
 1429    HZ2  LYS  22           HZ2      LYS  22   8.526  11.548   1.026
 1430    HZ3  LYS  22           HZ3      LYS  22   8.211   9.972   0.503
 1431    H    GLU  23           HN       GLU  23   6.752   5.660   2.812
 1432    HA   GLU  23           HA       GLU  23   9.381   6.494   2.128
 1433    HB2  GLU  23           HB2      GLU  23   8.842   6.594   4.425
 1434    HB3  GLU  23           HB1      GLU  23   8.178   4.972   4.429
 1435    HG2  GLU  23           HG2      GLU  23  10.384   4.024   4.228
 1436    HG3  GLU  23           HG1      GLU  23  11.089   5.634   4.105
 1437    H    SER  24           HN       SER  24   7.869   3.263   2.394
 1438    HA   SER  24           HA       SER  24  10.175   1.853   1.750
 1439    HB2  SER  24           HB2      SER  24   8.701  -0.039   1.207
 1440    HB3  SER  24           HB1      SER  24   8.169   0.776   2.678
 1441    HG   SER  24           HG       SER  24   6.504   0.251   1.062
 1442    H    LEU  25           HN       LEU  25   7.593   3.008  -0.414
 1443    HA   LEU  25           HA       LEU  25   8.663   1.980  -2.846
 1444    HB2  LEU  25           HB2      LEU  25   6.618   4.002  -2.082
 1445    HB3  LEU  25           HB1      LEU  25   7.252   4.050  -3.712
 1446    HG   LEU  25           HG       LEU  25   6.035   1.563  -2.525
 1447   HD11  LEU  25          HD11      LEU  25   3.983   2.133  -3.667
 1448   HD12  LEU  25          HD12      LEU  25   4.690   3.639  -4.252
 1449   HD13  LEU  25          HD13      LEU  25   4.398   3.413  -2.527
 1450   HD21  LEU  25          HD21      LEU  25   5.809   0.901  -4.852
 1451   HD22  LEU  25          HD22      LEU  25   7.497   1.254  -4.473
 1452   HD23  LEU  25          HD23      LEU  25   6.527   2.425  -5.373
 1453    H    GLU  26           HN       GLU  26   8.953   5.171  -1.296
 1454    HA   GLU  26           HA       GLU  26  10.453   6.356  -3.384
 1455    HB2  GLU  26           HB2      GLU  26   9.939   7.053  -0.524
 1456    HB3  GLU  26           HB1      GLU  26  11.173   7.929  -1.421
 1457    HG2  GLU  26           HG2      GLU  26   9.391   8.355  -3.172
 1458    HG3  GLU  26           HG1      GLU  26   8.230   7.766  -1.984
 1459    H    LEU  27           HN       LEU  27  11.427   4.811  -0.347
 1460    HA   LEU  27           HA       LEU  27  14.235   5.200  -0.615
 1461    HB2  LEU  27           HB2      LEU  27  12.481   3.338   0.933
 1462    HB3  LEU  27           HB1      LEU  27  14.217   3.102   0.898
 1463    HG   LEU  27           HG       LEU  27  12.973   5.698   1.763
 1464   HD11  LEU  27          HD11      LEU  27  12.998   5.008   4.004
 1465   HD12  LEU  27          HD12      LEU  27  13.900   3.540   3.628
 1466   HD13  LEU  27          HD13      LEU  27  12.214   3.692   3.128
 1467   HD21  LEU  27          HD21      LEU  27  15.134   5.972   2.899
 1468   HD22  LEU  27          HD22      LEU  27  15.326   5.783   1.155
 1469   HD23  LEU  27          HD23      LEU  27  15.666   4.427   2.233
 1470    H    MET  28           HN       MET  28  12.053   2.809  -2.046
 1471    HA   MET  28           HA       MET  28  14.007   0.978  -2.598
 1472    HB2  MET  28           HB2      MET  28  11.380   0.991  -3.077
 1473    HB3  MET  28           HB1      MET  28  11.933   1.358  -4.706
 1474    HG2  MET  28           HG2      MET  28  11.550  -1.120  -3.900
 1475    HG3  MET  28           HG1      MET  28  12.859  -0.699  -5.010
 1476    HE1  MET  28           HE1      MET  28  12.571   0.178  -1.283
 1477    HE2  MET  28           HE2      MET  28  13.540  -1.052  -0.475
 1478    HE3  MET  28           HE3      MET  28  11.985  -1.480  -1.183
 1479    H    GLU  29           HN       GLU  29  13.900   4.100  -3.822
 1480    HA   GLU  29           HA       GLU  29  15.310   3.445  -6.279
 1481    HB2  GLU  29           HB2      GLU  29  15.050   5.682  -6.881
 1482    HB3  GLU  29           HB1      GLU  29  13.577   5.334  -5.987
 1483    HG2  GLU  29           HG2      GLU  29  14.611   6.359  -3.983
 1484    HG3  GLU  29           HG1      GLU  29  16.001   6.798  -4.972
 1485    H    LEU  30           HN       LEU  30  15.996   4.015  -3.020
 1486    HA   LEU  30           HA       LEU  30  18.659   5.071  -3.576
 1487    HB2  LEU  30           HB2      LEU  30  18.429   6.280  -1.743
 1488    HB3  LEU  30           HB1      LEU  30  16.764   5.751  -1.693
 1489    HG   LEU  30           HG       LEU  30  18.999   4.323  -0.272
 1490   HD11  LEU  30          HD11      LEU  30  18.208   5.438   1.754
 1491   HD12  LEU  30          HD12      LEU  30  17.054   6.365   0.792
 1492   HD13  LEU  30          HD13      LEU  30  18.786   6.608   0.566
 1493   HD21  LEU  30          HD21      LEU  30  16.004   4.162  -0.067
 1494   HD22  LEU  30          HD22      LEU  30  17.122   3.398   1.061
 1495   HD23  LEU  30          HD23      LEU  30  17.100   2.902  -0.631
 1496    H    VAL  31           HN       VAL  31  17.240   2.124  -3.266
 1497    HA   VAL  31           HA       VAL  31  19.481   0.939  -1.815
 1498    HB   VAL  31           HB       VAL  31  17.477  -0.849  -3.021
 1499   HG11  VAL  31          HG11      VAL  31  18.759  -2.050  -1.636
 1500   HG12  VAL  31          HG12      VAL  31  17.620  -1.471  -0.422
 1501   HG13  VAL  31          HG13      VAL  31  19.167  -0.658  -0.635
 1502   HG21  VAL  31          HG21      VAL  31  16.718   1.141  -0.902
 1503   HG22  VAL  31          HG22      VAL  31  15.848  -0.368  -1.164
 1504   HG23  VAL  31          HG23      VAL  31  15.922   0.842  -2.444
 1505    HA   PRO  32           HA       PRO  32  21.844   0.442  -5.539
 1506    HB2  PRO  32           HB2      PRO  32  22.562  -2.097  -4.099
 1507    HB3  PRO  32           HB1      PRO  32  23.614  -0.971  -4.966
 1508    HG2  PRO  32           HG2      PRO  32  23.438  -0.907  -2.302
 1509    HG3  PRO  32           HG1      PRO  32  23.595   0.583  -3.251
 1510    HD2  PRO  32           HD2      PRO  32  21.247  -0.489  -1.802
 1511    HD3  PRO  32           HD1      PRO  32  21.635   1.187  -2.242
 1512    H    GLN  33           HN       GLN  33  21.132  -0.310  -7.436
 1513    HA   GLN  33           HA       GLN  33  18.938  -1.923  -7.811
 1514    HB2  GLN  33           HB2      GLN  33  19.801  -0.462  -9.547
 1515    HB3  GLN  33           HB1      GLN  33  21.243  -1.455  -9.704
 1516    HG2  GLN  33           HG2      GLN  33  19.892  -3.316 -10.498
 1517    HG3  GLN  33           HG1      GLN  33  18.432  -2.347 -10.309
 1518   HE21  GLN  33          HE21      GLN  33  17.913  -2.528 -12.483
 1519   HE22  GLN  33          HE22      GLN  33  18.778  -1.678 -13.712
 1520    HA   PRO  34           HA       PRO  34  21.938  -5.679  -8.748
 1521    HB2  PRO  34           HB2      PRO  34  24.187  -5.664  -7.147
 1522    HB3  PRO  34           HB1      PRO  34  24.152  -5.182  -8.846
 1523    HG2  PRO  34           HG2      PRO  34  24.054  -3.480  -6.390
 1524    HG3  PRO  34           HG1      PRO  34  24.938  -3.214  -7.905
 1525    HD2  PRO  34           HD2      PRO  34  22.661  -1.915  -7.377
 1526    HD3  PRO  34           HD1      PRO  34  23.045  -2.465  -9.021
 1527    H    LEU  35           HN       LEU  35  21.682  -4.160  -5.574
 1528    HA   LEU  35           HA       LEU  35  21.669  -6.641  -4.131
 1529    HB2  LEU  35           HB2      LEU  35  22.563  -4.626  -3.113
 1530    HB3  LEU  35           HB1      LEU  35  21.040  -3.793  -3.344
 1531    HG   LEU  35           HG       LEU  35  19.979  -5.298  -1.733
 1532   HD11  LEU  35          HD11      LEU  35  22.745  -6.415  -1.352
 1533   HD12  LEU  35          HD12      LEU  35  21.357  -7.269  -2.026
 1534   HD13  LEU  35          HD13      LEU  35  21.347  -6.766  -0.336
 1535   HD21  LEU  35          HD21      LEU  35  20.915  -3.170  -0.995
 1536   HD22  LEU  35          HD22      LEU  35  22.461  -3.959  -0.684
 1537   HD23  LEU  35          HD23      LEU  35  21.040  -4.399   0.264
 1538    H    VAL  36           HN       VAL  36  19.325  -4.451  -5.505
 1539    HA   VAL  36           HA       VAL  36  17.027  -5.638  -4.214
 1540    HB   VAL  36           HB       VAL  36  17.268  -3.806  -6.618
 1541   HG11  VAL  36          HG11      VAL  36  14.785  -4.919  -5.316
 1542   HG12  VAL  36          HG12      VAL  36  15.322  -5.173  -6.977
 1543   HG13  VAL  36          HG13      VAL  36  14.797  -3.573  -6.455
 1544   HG21  VAL  36          HG21      VAL  36  16.260  -2.146  -5.133
 1545   HG22  VAL  36          HG22      VAL  36  17.763  -2.775  -4.457
 1546   HG23  VAL  36          HG23      VAL  36  16.211  -3.335  -3.830
 1547    H    ASP  37           HN       ASP  37  18.750  -6.064  -7.262
 1548    HA   ASP  37           HA       ASP  37  16.944  -7.819  -8.496
 1549    HB2  ASP  37           HB2      ASP  37  18.828  -6.872  -9.720
 1550    HB3  ASP  37           HB1      ASP  37  19.967  -7.704  -8.667
 1551    H    SER  38           HN       SER  38  19.654  -8.425  -6.247
 1552    HA   SER  38           HA       SER  38  19.478 -11.212  -6.210
 1553    HB2  SER  38           HB2      SER  38  21.347  -9.982  -5.197
 1554    HB3  SER  38           HB1      SER  38  20.268  -9.349  -3.954
 1555    HG   SER  38           HG       SER  38  20.831 -11.080  -2.906
 1556    H    TYR  39           HN       TYR  39  17.785  -8.801  -4.210
 1557    HA   TYR  39           HA       TYR  39  16.406 -10.616  -2.570
 1558    HB2  TYR  39           HB2      TYR  39  16.301  -8.425  -1.805
 1559    HB3  TYR  39           HB1      TYR  39  15.951  -7.774  -3.404
 1560    HD1  TYR  39           HD2      TYR  39  14.489  -9.632  -0.557
 1561    HD2  TYR  39           HD1      TYR  39  13.719  -7.464  -4.136
 1562    HE1  TYR  39           HE2      TYR  39  12.096  -9.600  -0.017
 1563    HE2  TYR  39           HE1      TYR  39  11.329  -7.440  -3.615
 1564    HH   TYR  39           HH       TYR  39   9.713  -8.694  -2.271
 1565    H    ARG  40           HN       ARG  40  15.511  -9.091  -5.639
 1566    HA   ARG  40           HA       ARG  40  12.932 -10.096  -5.886
 1567    HB2  ARG  40           HB2      ARG  40  14.984  -9.386  -7.981
 1568    HB3  ARG  40           HB1      ARG  40  13.332  -9.842  -8.377
 1569    HG2  ARG  40           HG2      ARG  40  12.498  -7.961  -7.065
 1570    HG3  ARG  40           HG1      ARG  40  14.157  -7.501  -6.677
 1571    HD2  ARG  40           HD2      ARG  40  14.616  -7.165  -9.057
 1572    HD3  ARG  40           HD1      ARG  40  12.960  -7.628  -9.442
 1573    HE   ARG  40           HE       ARG  40  12.842  -5.521  -7.627
 1574   HH11  ARG  40          HH11      ARG  40  13.931  -6.105 -10.886
 1575   HH12  ARG  40          HH12      ARG  40  13.638  -4.480 -11.411
 1576   HH21  ARG  40          HH21      ARG  40  12.453  -3.382  -8.311
 1577   HH22  ARG  40          HH22      ARG  40  12.799  -2.932  -9.947
 1578    H    GLN  41           HN       GLN  41  16.030 -11.574  -6.527
 1579    HA   GLN  41           HA       GLN  41  15.066 -13.903  -7.859
 1580    HB2  GLN  41           HB2      GLN  41  17.426 -13.193  -7.946
 1581    HB3  GLN  41           HB1      GLN  41  17.579 -13.487  -6.220
 1582    HG2  GLN  41           HG2      GLN  41  17.148 -15.858  -6.580
 1583    HG3  GLN  41           HG1      GLN  41  16.983 -15.566  -8.310
 1584   HE21  GLN  41          HE21      GLN  41  18.817 -15.072  -9.528
 1585   HE22  GLN  41          HE22      GLN  41  20.413 -15.382  -8.944
 1586    H    GLN  42           HN       GLN  42  15.939 -13.238  -4.475
 1587    HA   GLN  42           HA       GLN  42  15.292 -15.759  -3.440
 1588    HB2  GLN  42           HB2      GLN  42  16.564 -14.193  -2.122
 1589    HB3  GLN  42           HB1      GLN  42  15.257 -13.018  -2.165
 1590    HG2  GLN  42           HG2      GLN  42  13.876 -14.466  -0.803
 1591    HG3  GLN  42           HG1      GLN  42  15.134 -15.700  -0.805
 1592   HE21  GLN  42          HE21      GLN  42  14.155 -12.599   0.412
 1593   HE22  GLN  42          HE22      GLN  42  15.341 -12.486   1.663
 1594    H    GLN  43           HN       GLN  43  13.349 -13.009  -4.278
 1595    HA   GLN  43           HA       GLN  43  10.940 -14.006  -3.035
 1596    HB2  GLN  43           HB2      GLN  43  11.281 -11.613  -3.144
 1597    HB3  GLN  43           HB1      GLN  43  11.496 -11.680  -4.886
 1598    HG2  GLN  43           HG2      GLN  43   9.073 -12.663  -4.842
 1599    HG3  GLN  43           HG1      GLN  43   9.006 -11.864  -3.272
 1600   HE21  GLN  43          HE21      GLN  43   9.169  -9.612  -3.172
 1601   HE22  GLN  43          HE22      GLN  43   8.896  -8.618  -4.558
 1602    H    GLN  44           HN       GLN  44  12.509 -14.066  -6.121
 1603    HA   GLN  44           HA       GLN  44  10.291 -14.766  -7.732
 1604    HB2  GLN  44           HB2      GLN  44  12.811 -14.012  -8.290
 1605    HB3  GLN  44           HB1      GLN  44  12.986 -15.749  -8.494
 1606    HG2  GLN  44           HG2      GLN  44  12.487 -14.665 -10.602
 1607    HG3  GLN  44           HG1      GLN  44  11.181 -15.750 -10.127
 1608   HE21  GLN  44          HE21      GLN  44   9.204 -14.878  -9.470
 1609   HE22  GLN  44          HE22      GLN  44   8.767 -13.241  -9.812
 1610    H    LEU  45           HN       LEU  45  12.249 -16.503  -5.523
 1611    HA   LEU  45           HA       LEU  45  12.143 -19.103  -6.459
 1612    HB2  LEU  45           HB2      LEU  45  13.416 -18.720  -4.527
 1613    HB3  LEU  45           HB1      LEU  45  12.089 -17.930  -3.698
 1614    HG   LEU  45           HG       LEU  45  10.942 -20.228  -3.712
 1615   HD11  LEU  45          HD11      LEU  45  12.403 -21.292  -5.346
 1616   HD12  LEU  45          HD12      LEU  45  12.449 -22.145  -3.803
 1617   HD13  LEU  45          HD13      LEU  45  13.780 -21.084  -4.264
 1618   HD21  LEU  45          HD21      LEU  45  13.425 -19.725  -2.075
 1619   HD22  LEU  45          HD22      LEU  45  12.192 -20.929  -1.698
 1620   HD23  LEU  45          HD23      LEU  45  11.780 -19.214  -1.690
 1621    H    LEU  46           HN       LEU  46   9.720 -17.396  -4.474
 1622    HA   LEU  46           HA       LEU  46   7.599 -18.870  -5.695
 1623    HB2  LEU  46           HB2      LEU  46   6.758 -19.985  -3.715
 1624    HB3  LEU  46           HB1      LEU  46   8.370 -20.549  -4.107
 1625    HG   LEU  46           HG       LEU  46   8.963 -18.603  -2.318
 1626   HD11  LEU  46          HD11      LEU  46   6.653 -18.078  -1.838
 1627   HD12  LEU  46          HD12      LEU  46   7.396 -18.845  -0.434
 1628   HD13  LEU  46          HD13      LEU  46   6.315 -19.771  -1.476
 1629   HD21  LEU  46          HD21      LEU  46   9.811 -20.883  -2.294
 1630   HD22  LEU  46          HD22      LEU  46   8.255 -21.472  -1.711
 1631   HD23  LEU  46          HD23      LEU  46   9.236 -20.418  -0.693
 1632    H    GLN  47           HN       GLN  47   5.791 -17.693  -5.701
 1633    HA   GLN  47           HA       GLN  47   5.773 -15.187  -4.237
 1634    HB2  GLN  47           HB2      GLN  47   4.591 -16.196  -6.677
 1635    HB3  GLN  47           HB1      GLN  47   3.374 -15.430  -5.666
 1636    HG2  GLN  47           HG2      GLN  47   4.357 -13.865  -7.256
 1637    HG3  GLN  47           HG1      GLN  47   4.676 -13.392  -5.588
 1638   HE21  GLN  47          HE21      GLN  47   6.763 -13.512  -4.785
 1639   HE22  GLN  47          HE22      GLN  47   8.140 -13.686  -5.814
 1640    H    ARG  48           HN       ARG  48   4.849 -18.251  -3.591
 1641    HA   ARG  48           HA       ARG  48   2.273 -17.869  -2.442
 1642    HB2  ARG  48           HB2      ARG  48   4.306 -20.026  -1.852
 1643    HB3  ARG  48           HB1      ARG  48   2.591 -20.082  -1.472
 1644    HG2  ARG  48           HG2      ARG  48   2.066 -20.027  -3.855
 1645    HG3  ARG  48           HG1      ARG  48   3.790 -19.990  -4.226
 1646    HD2  ARG  48           HD2      ARG  48   4.081 -22.159  -3.157
 1647    HD3  ARG  48           HD1      ARG  48   2.371 -22.191  -2.730
 1648    HE   ARG  48           HE       ARG  48   2.611 -21.868  -5.507
 1649   HH11  ARG  48          HH11      ARG  48   3.158 -24.260  -3.033
 1650   HH12  ARG  48          HH12      ARG  48   2.891 -25.604  -4.093
 1651   HH21  ARG  48          HH21      ARG  48   2.257 -23.632  -6.909
 1652   HH22  ARG  48          HH22      ARG  48   2.380 -25.247  -6.295
  Start of MODEL    2
    1    H    ASP   1           HT1      ASP   1   6.500 -15.840  15.083
    2    HA   ASP   1           HA       ASP   1   4.240 -15.512  14.367
    3    HB2  ASP   1           HB2      ASP   1   4.137 -13.473  16.605
    4    HB3  ASP   1           HB1      ASP   1   2.869 -13.757  15.415
    5    H    GLU   2           HN       GLU   2   6.099 -14.980  12.893
    6    HA   GLU   2           HA       GLU   2   5.750 -12.370  11.836
    7    HB2  GLU   2           HB2      GLU   2   7.949 -11.441  12.204
    8    HB3  GLU   2           HB1      GLU   2   7.248 -11.855  13.760
    9    HG2  GLU   2           HG2      GLU   2   8.567 -13.942  13.762
   10    HG3  GLU   2           HG1      GLU   2   9.329 -13.425  12.258
   11    H    ASP   3           HN       ASP   3   8.471 -12.342  10.647
   12    HA   ASP   3           HA       ASP   3   9.619 -13.160   8.887
   13    HB2  ASP   3           HB2      ASP   3   9.302 -15.364  10.332
   14    HB3  ASP   3           HB1      ASP   3   8.283 -15.819   8.969
   15    H    THR   4           HN       THR   4   8.712 -15.106   6.924
   16    HA   THR   4           HA       THR   4   7.106 -13.335   5.387
   17    HB   THR   4           HB       THR   4   7.275 -16.031   4.330
   18    HG1  THR   4           HG1      THR   4   9.513 -16.074   4.143
   19   HG21  THR   4          HG21      THR   4   8.223 -13.323   3.400
   20   HG22  THR   4          HG22      THR   4   6.712 -14.121   2.953
   21   HG23  THR   4          HG23      THR   4   8.254 -14.791   2.420
   22    H    TYR   5           HN       TYR   5   5.107 -13.470   4.722
   23    HA   TYR   5           HA       TYR   5   3.307 -15.358   6.087
   24    HB2  TYR   5           HB2      TYR   5   3.112 -12.401   5.714
   25    HB3  TYR   5           HB1      TYR   5   1.685 -13.394   5.995
   26    HD1  TYR   5           HD2      TYR   5   1.515 -14.718   8.103
   27    HD2  TYR   5           HD1      TYR   5   4.566 -11.823   7.484
   28    HE1  TYR   5           HE2      TYR   5   1.927 -14.648  10.522
   29    HE2  TYR   5           HE1      TYR   5   4.993 -11.739   9.899
   30    HH   TYR   5           HH       TYR   5   4.110 -12.323  11.952
   31    H    TYR   6           HN       TYR   6   1.185 -15.601   4.820
   32    HA   TYR   6           HA       TYR   6   1.607 -14.914   1.998
   33    HB2  TYR   6           HB2      TYR   6  -0.260 -17.075   2.999
   34    HB3  TYR   6           HB1      TYR   6   0.339 -16.841   1.362
   35    HD1  TYR   6           HD2      TYR   6   3.241 -16.378   2.006
   36    HD2  TYR   6           HD1      TYR   6   0.487 -19.282   3.442
   37    HE1  TYR   6           HE2      TYR   6   5.107 -17.903   2.451
   38    HE2  TYR   6           HE1      TYR   6   2.349 -20.824   3.900
   39    HH   TYR   6           HH       TYR   6   5.599 -19.840   3.885
   40    H    LEU   7           HN       LEU   7   0.317 -13.563   1.058
   41    HA   LEU   7           HA       LEU   7  -2.070 -12.595   2.506
   42    HB2  LEU   7           HB2      LEU   7   0.210 -11.308   1.674
   43    HB3  LEU   7           HB1      LEU   7  -0.887 -11.001   0.358
   44    HG   LEU   7           HG       LEU   7  -2.118  -9.525   1.546
   45   HD11  LEU   7          HD11      LEU   7  -1.833 -11.403   3.729
   46   HD12  LEU   7          HD12      LEU   7  -3.148 -10.300   3.344
   47   HD13  LEU   7          HD13      LEU   7  -1.746  -9.718   4.243
   48   HD21  LEU   7          HD21      LEU   7   0.205  -8.791   1.488
   49   HD22  LEU   7          HD22      LEU   7   0.457  -9.507   3.081
   50   HD23  LEU   7          HD23      LEU   7  -0.660  -8.155   2.890
   51    H    GLN   8           HN       GLN   8  -3.826 -13.619   1.566
   52    HA   GLN   8           HA       GLN   8  -3.854 -14.096  -1.224
   53    HB2  GLN   8           HB2      GLN   8  -5.096 -15.223   0.875
   54    HB3  GLN   8           HB1      GLN   8  -6.380 -14.176   0.303
   55    HG2  GLN   8           HG2      GLN   8  -5.840 -15.252  -2.002
   56    HG3  GLN   8           HG1      GLN   8  -5.129 -16.521  -1.005
   57   HE21  GLN   8          HE21      GLN   8  -6.609 -18.079  -1.391
   58   HE22  GLN   8          HE22      GLN   8  -8.263 -17.987  -0.899
   59    H    VAL   9           HN       VAL   9  -4.147 -12.616  -2.689
   60    HA   VAL   9           HA       VAL   9  -5.961 -10.421  -2.047
   61    HB   VAL   9           HB       VAL   9  -3.356 -10.376  -3.547
   62   HG11  VAL   9          HG11      VAL   9  -5.586  -8.378  -3.767
   63   HG12  VAL   9          HG12      VAL   9  -4.776  -9.256  -5.065
   64   HG13  VAL   9          HG13      VAL   9  -3.910  -8.007  -4.170
   65   HG21  VAL   9          HG21      VAL   9  -2.757  -8.646  -2.038
   66   HG22  VAL   9          HG22      VAL   9  -3.485  -9.940  -1.085
   67   HG23  VAL   9          HG23      VAL   9  -4.416  -8.490  -1.461
   68    H    ARG  10           HN       ARG  10  -7.655 -10.099  -3.404
   69    HA   ARG  10           HA       ARG  10  -7.760 -11.852  -5.759
   70    HB2  ARG  10           HB2      ARG  10  -9.560 -11.838  -3.859
   71    HB3  ARG  10           HB1      ARG  10 -10.138 -10.382  -4.654
   72    HG2  ARG  10           HG2      ARG  10  -9.733 -12.915  -6.195
   73    HG3  ARG  10           HG1      ARG  10 -11.205 -12.638  -5.263
   74    HD2  ARG  10           HD2      ARG  10 -11.539 -10.523  -6.516
   75    HD3  ARG  10           HD1      ARG  10 -10.133 -10.923  -7.500
   76    HE   ARG  10           HE       ARG  10 -12.072 -13.014  -7.511
   77   HH11  ARG  10          HH11      ARG  10 -11.288  -9.912  -8.893
   78   HH12  ARG  10          HH12      ARG  10 -12.183 -10.191 -10.349
   79   HH21  ARG  10          HH21      ARG  10 -13.254 -13.388  -9.425
   80   HH22  ARG  10          HH22      ARG  10 -13.302 -12.166 -10.651
   81    H    GLY  11           HN       GLY  11  -8.044 -11.120  -7.751
   82    HA2  GLY  11           HA2      GLY  11  -8.533  -9.534  -9.428
   83    HA3  GLY  11           HA1      GLY  11  -8.589  -8.279  -8.196
   84    H    ARG  12           HN       ARG  12  -6.959  -9.179 -10.806
   85    HA   ARG  12           HA       ARG  12  -4.266  -9.191 -10.192
   86    HB2  ARG  12           HB2      ARG  12  -5.534  -9.451 -12.469
   87    HB3  ARG  12           HB1      ARG  12  -5.221  -7.726 -12.618
   88    HG2  ARG  12           HG2      ARG  12  -3.462  -8.840 -13.734
   89    HG3  ARG  12           HG1      ARG  12  -2.797  -8.238 -12.214
   90    HD2  ARG  12           HD2      ARG  12  -3.340 -10.540 -11.263
   91    HD3  ARG  12           HD1      ARG  12  -3.561 -11.049 -12.936
   92    HE   ARG  12           HE       ARG  12  -1.028  -9.862 -12.014
   93   HH11  ARG  12          HH11      ARG  12  -2.808 -12.413 -13.585
   94   HH12  ARG  12          HH12      ARG  12  -1.388 -13.257 -14.105
   95   HH21  ARG  12          HH21      ARG  12   0.844 -10.967 -12.691
   96   HH22  ARG  12          HH22      ARG  12   0.688 -12.435 -13.597
   97    H    GLU  13           HN       GLU  13  -6.231  -6.263 -10.858
   98    HA   GLU  13           HA       GLU  13  -4.188  -4.429 -10.730
   99    HB2  GLU  13           HB2      GLU  13  -6.509  -3.896 -11.367
  100    HB3  GLU  13           HB1      GLU  13  -7.002  -4.062  -9.687
  101    HG2  GLU  13           HG2      GLU  13  -5.694  -2.163  -9.049
  102    HG3  GLU  13           HG1      GLU  13  -4.982  -2.057 -10.659
  103    H    ASN  14           HN       ASN  14  -6.078  -5.729  -8.024
  104    HA   ASN  14           HA       ASN  14  -4.876  -4.183  -5.977
  105    HB2  ASN  14           HB2      ASN  14  -7.023  -5.324  -5.680
  106    HB3  ASN  14           HB1      ASN  14  -6.244  -6.886  -5.892
  107   HD21  ASN  14          HD21      ASN  14  -7.772  -6.359  -3.700
  108   HD22  ASN  14          HD22      ASN  14  -6.771  -6.275  -2.294
  109    H    PHE  15           HN       PHE  15  -4.283  -7.452  -7.192
  110    HA   PHE  15           HA       PHE  15  -2.273  -8.226  -5.441
  111    HB2  PHE  15           HB2      PHE  15  -3.449  -9.711  -7.050
  112    HB3  PHE  15           HB1      PHE  15  -2.523  -8.983  -8.358
  113    HD1  PHE  15           HD2      PHE  15  -1.422 -10.051  -4.955
  114    HD2  PHE  15           HD1      PHE  15  -1.169 -10.671  -9.167
  115    HE1  PHE  15           HE2      PHE  15   0.350 -11.695  -4.602
  116    HE2  PHE  15           HE1      PHE  15   0.635 -12.316  -8.805
  117    HZ   PHE  15           HZ       PHE  15   1.390 -12.824  -6.513
  118    H    GLU  16           HN       GLU  16  -1.982  -6.547  -8.560
  119    HA   GLU  16           HA       GLU  16   0.845  -6.389  -8.633
  120    HB2  GLU  16           HB2      GLU  16  -1.246  -4.603  -9.880
  121    HB3  GLU  16           HB1      GLU  16   0.468  -4.575 -10.273
  122    HG2  GLU  16           HG2      GLU  16  -1.398  -6.903 -10.675
  123    HG3  GLU  16           HG1      GLU  16  -0.810  -5.814 -11.930
  124    H    ILE  17           HN       ILE  17  -1.538  -4.019  -7.386
  125    HA   ILE  17           HA       ILE  17   0.411  -2.077  -6.766
  126    HB   ILE  17           HB       ILE  17  -2.416  -2.496  -6.094
  127   HG12  ILE  17          HG12      ILE  17  -0.980   0.109  -6.484
  128   HG13  ILE  17          HG11      ILE  17  -1.250  -0.962  -7.853
  129   HG21  ILE  17          HG21      ILE  17  -2.457  -0.863  -4.287
  130   HG22  ILE  17          HG22      ILE  17  -0.695  -0.765  -4.322
  131   HG23  ILE  17          HG23      ILE  17  -1.487  -2.266  -3.832
  132   HD11  ILE  17          HD11      ILE  17  -3.627  -0.807  -7.557
  133   HD12  ILE  17          HD12      ILE  17  -2.938   0.821  -7.613
  134   HD13  ILE  17          HD13      ILE  17  -3.418   0.116  -6.067
  135    H    LEU  18           HN       LEU  18  -0.911  -4.793  -4.852
  136    HA   LEU  18           HA       LEU  18   0.535  -4.065  -2.482
  137    HB2  LEU  18           HB2      LEU  18  -1.439  -6.020  -3.289
  138    HB3  LEU  18           HB1      LEU  18  -0.155  -6.756  -2.358
  139    HG   LEU  18           HG       LEU  18  -0.556  -4.980  -0.602
  140   HD11  LEU  18          HD11      LEU  18  -2.808  -3.973  -0.635
  141   HD12  LEU  18          HD12      LEU  18  -2.995  -4.541  -2.296
  142   HD13  LEU  18          HD13      LEU  18  -1.741  -3.364  -1.902
  143   HD21  LEU  18          HD21      LEU  18  -2.834  -6.855  -1.205
  144   HD22  LEU  18          HD22      LEU  18  -2.458  -6.139   0.360
  145   HD23  LEU  18          HD23      LEU  18  -1.343  -7.295  -0.372
  146    H    MET  19           HN       MET  19   1.001  -6.297  -5.192
  147    HA   MET  19           HA       MET  19   3.184  -7.693  -4.098
  148    HB2  MET  19           HB2      MET  19   1.726  -8.012  -6.364
  149    HB3  MET  19           HB1      MET  19   3.152  -7.260  -7.051
  150    HG2  MET  19           HG2      MET  19   3.065  -9.813  -5.470
  151    HG3  MET  19           HG1      MET  19   3.264  -9.660  -7.208
  152    HE1  MET  19           HE1      MET  19   5.453 -11.344  -6.829
  153    HE2  MET  19           HE2      MET  19   4.993 -11.293  -5.126
  154    HE3  MET  19           HE3      MET  19   6.664 -10.976  -5.600
  155    H    LYS  20           HN       LYS  20   3.130  -4.934  -6.322
  156    HA   LYS  20           HA       LYS  20   5.878  -4.453  -6.483
  157    HB2  LYS  20           HB2      LYS  20   3.837  -3.343  -7.678
  158    HB3  LYS  20           HB1      LYS  20   3.882  -2.228  -6.320
  159    HG2  LYS  20           HG2      LYS  20   6.309  -2.780  -7.992
  160    HG3  LYS  20           HG1      LYS  20   5.117  -1.560  -8.442
  161    HD2  LYS  20           HD2      LYS  20   5.453  -0.531  -6.181
  162    HD3  LYS  20           HD1      LYS  20   6.790  -1.656  -5.938
  163    HE2  LYS  20           HE2      LYS  20   6.589   0.316  -8.208
  164    HE3  LYS  20           HE1      LYS  20   7.511   0.579  -6.729
  165    HZ1  LYS  20           HZ1      LYS  20   8.928  -0.211  -8.510
  166    HZ2  LYS  20           HZ2      LYS  20   7.974  -1.595  -8.701
  167    HZ3  LYS  20           HZ3      LYS  20   8.852  -1.364  -7.274
  168    H    LEU  21           HN       LEU  21   3.454  -3.577  -4.138
  169    HA   LEU  21           HA       LEU  21   5.109  -1.920  -2.551
  170    HB2  LEU  21           HB2      LEU  21   2.517  -2.125  -2.734
  171    HB3  LEU  21           HB1      LEU  21   2.687  -3.410  -1.564
  172    HG   LEU  21           HG       LEU  21   3.154  -0.478  -1.208
  173   HD11  LEU  21          HD11      LEU  21   1.685  -1.088   0.824
  174   HD12  LEU  21          HD12      LEU  21   1.345  -2.565  -0.079
  175   HD13  LEU  21          HD13      LEU  21   0.949  -0.996  -0.776
  176   HD21  LEU  21          HD21      LEU  21   3.922  -1.027   1.103
  177   HD22  LEU  21          HD22      LEU  21   5.075  -1.440  -0.164
  178   HD23  LEU  21          HD23      LEU  21   4.102  -2.703   0.587
  179    H    LYS  22           HN       LYS  22   4.303  -5.351  -2.378
  180    HA   LYS  22           HA       LYS  22   5.392  -5.917   0.119
  181    HB2  LYS  22           HB2      LYS  22   4.125  -7.598  -1.086
  182    HB3  LYS  22           HB1      LYS  22   5.315  -7.622  -2.380
  183    HG2  LYS  22           HG2      LYS  22   6.429  -8.199   0.260
  184    HG3  LYS  22           HG1      LYS  22   5.223  -9.364  -0.286
  185    HD2  LYS  22           HD2      LYS  22   7.367  -8.511  -2.174
  186    HD3  LYS  22           HD1      LYS  22   7.762  -9.663  -0.898
  187    HE2  LYS  22           HE2      LYS  22   7.100 -10.735  -3.037
  188    HE3  LYS  22           HE1      LYS  22   6.077 -11.189  -1.676
  189    HZ1  LYS  22           HZ1      LYS  22   4.429  -9.600  -2.421
  190    HZ2  LYS  22           HZ2      LYS  22   4.777 -10.705  -3.652
  191    HZ3  LYS  22           HZ3      LYS  22   5.414  -9.140  -3.717
  192    H    GLU  23           HN       GLU  23   6.867  -5.569  -3.040
  193    HA   GLU  23           HA       GLU  23   9.489  -6.338  -2.271
  194    HB2  GLU  23           HB2      GLU  23   8.557  -4.554  -4.532
  195    HB3  GLU  23           HB1      GLU  23  10.188  -5.187  -4.357
  196    HG2  GLU  23           HG2      GLU  23   9.402  -7.437  -4.646
  197    HG3  GLU  23           HG1      GLU  23   7.729  -6.891  -4.654
  198    H    SER  24           HN       SER  24   7.923  -3.128  -2.517
  199    HA   SER  24           HA       SER  24  10.189  -1.698  -1.789
  200    HB2  SER  24           HB2      SER  24   8.686   0.166  -1.261
  201    HB3  SER  24           HB1      SER  24   8.190  -0.633  -2.748
  202    HG   SER  24           HG       SER  24   7.048  -0.972  -0.174
  203    H    LEU  25           HN       LEU  25   7.575  -2.917   0.326
  204    HA   LEU  25           HA       LEU  25   8.648  -1.889   2.756
  205    HB2  LEU  25           HB2      LEU  25   6.637  -3.963   2.028
  206    HB3  LEU  25           HB1      LEU  25   7.262  -3.935   3.665
  207    HG   LEU  25           HG       LEU  25   6.010  -1.517   2.370
  208   HD11  LEU  25          HD11      LEU  25   4.429  -3.418   2.433
  209   HD12  LEU  25          HD12      LEU  25   3.953  -2.080   3.477
  210   HD13  LEU  25          HD13      LEU  25   4.679  -3.530   4.175
  211   HD21  LEU  25          HD21      LEU  25   5.838  -0.670   4.579
  212   HD22  LEU  25          HD22      LEU  25   7.494  -1.254   4.391
  213   HD23  LEU  25          HD23      LEU  25   6.312  -2.218   5.282
  214    H    GLU  26           HN       GLU  26   8.991  -5.044   1.177
  215    HA   GLU  26           HA       GLU  26  10.571  -6.181   3.245
  216    HB2  GLU  26           HB2      GLU  26  10.085  -6.925   0.378
  217    HB3  GLU  26           HB1      GLU  26  11.228  -7.815   1.376
  218    HG2  GLU  26           HG2      GLU  26   9.287  -8.044   3.038
  219    HG3  GLU  26           HG1      GLU  26   8.262  -7.564   1.687
  220    H    LEU  27           HN       LEU  27  11.380  -4.576   0.193
  221    HA   LEU  27           HA       LEU  27  14.204  -4.910   0.368
  222    HB2  LEU  27           HB2      LEU  27  12.401  -3.071  -1.164
  223    HB3  LEU  27           HB1      LEU  27  14.140  -2.855  -1.188
  224    HG   LEU  27           HG       LEU  27  12.793  -5.437  -1.977
  225   HD11  LEU  27          HD11      LEU  27  13.133  -4.774  -4.286
  226   HD12  LEU  27          HD12      LEU  27  13.762  -3.211  -3.762
  227   HD13  LEU  27          HD13      LEU  27  12.074  -3.629  -3.464
  228   HD21  LEU  27          HD21      LEU  27  15.123  -5.648  -1.312
  229   HD22  LEU  27          HD22      LEU  27  15.572  -4.362  -2.433
  230   HD23  LEU  27          HD23      LEU  27  14.945  -5.892  -3.050
  231    H    MET  28           HN       MET  28  12.032  -2.450   1.732
  232    HA   MET  28           HA       MET  28  13.981  -0.610   2.268
  233    HB2  MET  28           HB2      MET  28  11.511  -0.304   2.700
  234    HB3  MET  28           HB1      MET  28  11.710  -1.234   4.180
  235    HG2  MET  28           HG2      MET  28  13.543   0.545   4.698
  236    HG3  MET  28           HG1      MET  28  12.664   1.500   3.516
  237    HE1  MET  28           HE1      MET  28  10.660   2.778   3.910
  238    HE2  MET  28           HE2      MET  28   9.461   2.511   5.177
  239    HE3  MET  28           HE3      MET  28   9.663   1.326   3.889
  240    H    GLU  29           HN       GLU  29  13.868  -3.765   3.509
  241    HA   GLU  29           HA       GLU  29  15.334  -3.126   5.935
  242    HB2  GLU  29           HB2      GLU  29  14.929  -5.279   6.612
  243    HB3  GLU  29           HB1      GLU  29  13.531  -4.982   5.590
  244    HG2  GLU  29           HG2      GLU  29  14.704  -6.131   3.735
  245    HG3  GLU  29           HG1      GLU  29  16.015  -6.510   4.849
  246    H    LEU  30           HN       LEU  30  16.012  -4.093   2.667
  247    HA   LEU  30           HA       LEU  30  18.643  -5.100   3.378
  248    HB2  LEU  30           HB2      LEU  30  18.591  -6.237   1.461
  249    HB3  LEU  30           HB1      LEU  30  16.885  -5.850   1.460
  250    HG   LEU  30           HG       LEU  30  18.977  -4.235   0.024
  251   HD11  LEU  30          HD11      LEU  30  18.855  -6.470  -0.924
  252   HD12  LEU  30          HD12      LEU  30  18.113  -5.302  -2.017
  253   HD13  LEU  30          HD13      LEU  30  17.099  -6.348  -1.025
  254   HD21  LEU  30          HD21      LEU  30  16.959  -3.406  -1.215
  255   HD22  LEU  30          HD22      LEU  30  17.090  -2.879   0.462
  256   HD23  LEU  30          HD23      LEU  30  15.979  -4.178   0.028
  257    H    VAL  31           HN       VAL  31  17.435  -2.146   3.168
  258    HA   VAL  31           HA       VAL  31  19.717  -1.022   1.704
  259    HB   VAL  31           HB       VAL  31  17.650  -0.026   1.011
  260   HG11  VAL  31          HG11      VAL  31  16.286  -0.604   2.945
  261   HG12  VAL  31          HG12      VAL  31  16.140   1.111   2.561
  262   HG13  VAL  31          HG13      VAL  31  17.140   0.592   3.918
  263   HG21  VAL  31          HG21      VAL  31  19.497   1.620   2.662
  264   HG22  VAL  31          HG22      VAL  31  18.030   2.372   2.046
  265   HG23  VAL  31          HG23      VAL  31  19.191   1.660   0.926
  266    HA   PRO  32           HA       PRO  32  22.002  -0.614   5.491
  267    HB2  PRO  32           HB2      PRO  32  22.826   1.907   4.080
  268    HB3  PRO  32           HB1      PRO  32  23.824   0.746   4.966
  269    HG2  PRO  32           HG2      PRO  32  23.706   0.711   2.294
  270    HG3  PRO  32           HG1      PRO  32  23.818  -0.787   3.234
  271    HD2  PRO  32           HD2      PRO  32  21.527   0.323   1.732
  272    HD3  PRO  32           HD1      PRO  32  21.867  -1.358   2.195
  273    H    GLN  33           HN       GLN  33  21.285   0.180   7.371
  274    HA   GLN  33           HA       GLN  33  19.099   1.777   7.726
  275    HB2  GLN  33           HB2      GLN  33  20.048   0.416   9.505
  276    HB3  GLN  33           HB1      GLN  33  21.448   1.475   9.599
  277    HG2  GLN  33           HG2      GLN  33  20.040   3.307  10.338
  278    HG3  GLN  33           HG1      GLN  33  18.611   2.285  10.193
  279   HE21  GLN  33          HE21      GLN  33  21.484   2.960  12.023
  280   HE22  GLN  33          HE22      GLN  33  21.071   2.015  13.408
  281    HA   PRO  34           HA       PRO  34  22.159   5.621   8.419
  282    HB2  PRO  34           HB2      PRO  34  23.975   4.901   6.165
  283    HB3  PRO  34           HB1      PRO  34  24.335   5.744   7.676
  284    HG2  PRO  34           HG2      PRO  34  25.041   3.207   7.365
  285    HG3  PRO  34           HG1      PRO  34  24.387   3.775   8.913
  286    HD2  PRO  34           HD2      PRO  34  23.059   2.182   6.761
  287    HD3  PRO  34           HD1      PRO  34  22.905   2.045   8.525
  288    H    LEU  35           HN       LEU  35  21.375   4.066   5.353
  289    HA   LEU  35           HA       LEU  35  21.088   6.533   3.901
  290    HB2  LEU  35           HB2      LEU  35  20.818   3.641   3.338
  291    HB3  LEU  35           HB1      LEU  35  19.799   4.697   2.384
  292    HG   LEU  35           HG       LEU  35  22.684   5.369   2.567
  293   HD11  LEU  35          HD11      LEU  35  22.757   2.976   2.187
  294   HD12  LEU  35          HD12      LEU  35  23.187   3.836   0.708
  295   HD13  LEU  35          HD13      LEU  35  21.582   3.126   0.880
  296   HD21  LEU  35          HD21      LEU  35  22.292   6.066   0.250
  297   HD22  LEU  35          HD22      LEU  35  21.144   6.821   1.356
  298   HD23  LEU  35          HD23      LEU  35  20.636   5.463   0.350
  299    H    VAL  36           HN       VAL  36  18.999   4.343   5.649
  300    HA   VAL  36           HA       VAL  36  16.558   5.474   4.651
  301    HB   VAL  36           HB       VAL  36  17.116   3.737   7.063
  302   HG11  VAL  36          HG11      VAL  36  14.473   4.749   6.017
  303   HG12  VAL  36          HG12      VAL  36  15.191   5.083   7.593
  304   HG13  VAL  36          HG13      VAL  36  14.651   3.451   7.198
  305   HG21  VAL  36          HG21      VAL  36  15.782   3.156   4.418
  306   HG22  VAL  36          HG22      VAL  36  15.961   2.014   5.751
  307   HG23  VAL  36          HG23      VAL  36  17.389   2.623   4.915
  308    H    ASP  37           HN       ASP  37  18.581   6.005   7.497
  309    HA   ASP  37           HA       ASP  37  16.878   7.806   8.811
  310    HB2  ASP  37           HB2      ASP  37  19.900   7.629   8.787
  311    HB3  ASP  37           HB1      ASP  37  18.983   8.659   9.882
  312    H    SER  38           HN       SER  38  19.477   8.357   6.410
  313    HA   SER  38           HA       SER  38  19.288  11.136   6.348
  314    HB2  SER  38           HB2      SER  38  21.139   9.909   5.315
  315    HB3  SER  38           HB1      SER  38  20.042   9.254   4.099
  316    HG   SER  38           HG       SER  38  19.879  11.953   4.224
  317    H    TYR  39           HN       TYR  39  17.553   8.717   4.388
  318    HA   TYR  39           HA       TYR  39  16.181  10.531   2.742
  319    HB2  TYR  39           HB2      TYR  39  16.078   8.336   1.981
  320    HB3  TYR  39           HB1      TYR  39  15.701   7.692   3.576
  321    HD1  TYR  39           HD1      TYR  39  14.297   9.540   0.696
  322    HD2  TYR  39           HD2      TYR  39  13.452   7.430   4.290
  323    HE1  TYR  39           HE1      TYR  39  11.909   9.537   0.128
  324    HE2  TYR  39           HE2      TYR  39  11.070   7.420   3.737
  325    HH   TYR  39           HH       TYR  39   9.888   8.295   0.650
  326    H    ARG  40           HN       ARG  40  15.262   9.016   5.809
  327    HA   ARG  40           HA       ARG  40  12.680  10.025   6.021
  328    HB2  ARG  40           HB2      ARG  40  14.720   9.293   8.115
  329    HB3  ARG  40           HB1      ARG  40  13.087   9.800   8.532
  330    HG2  ARG  40           HG2      ARG  40  12.175   7.935   7.255
  331    HG3  ARG  40           HG1      ARG  40  13.809   7.432   6.818
  332    HD2  ARG  40           HD2      ARG  40  14.323   7.127   9.210
  333    HD3  ARG  40           HD1      ARG  40  12.660   7.560   9.603
  334    HE   ARG  40           HE       ARG  40  12.519   5.469   7.800
  335   HH11  ARG  40          HH11      ARG  40  13.806   6.015  10.992
  336   HH12  ARG  40          HH12      ARG  40  13.595   4.372  11.498
  337   HH21  ARG  40          HH21      ARG  40  12.240   3.304   8.457
  338   HH22  ARG  40          HH22      ARG  40  12.706   2.831  10.057
  339    H    GLN  41           HN       GLN  41  15.767  11.523   6.745
  340    HA   GLN  41           HA       GLN  41  14.722  13.857   8.009
  341    HB2  GLN  41           HB2      GLN  41  17.073  13.240   8.257
  342    HB3  GLN  41           HB1      GLN  41  17.324  13.409   6.525
  343    HG2  GLN  41           HG2      GLN  41  16.894  15.787   6.667
  344    HG3  GLN  41           HG1      GLN  41  16.553  15.642   8.390
  345   HE21  GLN  41          HE21      GLN  41  18.252  15.283   9.825
  346   HE22  GLN  41          HE22      GLN  41  19.900  15.554   9.381
  347    H    GLN  42           HN       GLN  42  15.782  13.164   4.691
  348    HA   GLN  42           HA       GLN  42  15.135  15.652   3.581
  349    HB2  GLN  42           HB2      GLN  42  16.518  14.077   2.374
  350    HB3  GLN  42           HB1      GLN  42  15.216  12.897   2.335
  351    HG2  GLN  42           HG2      GLN  42  13.927  14.314   0.867
  352    HG3  GLN  42           HG1      GLN  42  15.152  15.577   0.968
  353   HE21  GLN  42          HE21      GLN  42  14.109  14.142  -1.353
  354   HE22  GLN  42          HE22      GLN  42  15.477  13.413  -2.117
  355    H    GLN  43           HN       GLN  43  13.196  12.965   4.527
  356    HA   GLN  43           HA       GLN  43  10.866  13.718   3.015
  357    HB2  GLN  43           HB2      GLN  43  11.266  11.375   3.599
  358    HB3  GLN  43           HB1      GLN  43  11.209  11.776   5.309
  359    HG2  GLN  43           HG2      GLN  43   8.862  12.476   5.034
  360    HG3  GLN  43           HG1      GLN  43   8.937  11.971   3.346
  361   HE21  GLN  43          HE21      GLN  43   8.869  10.922   6.656
  362   HE22  GLN  43          HE22      GLN  43   8.539   9.257   6.335
  363    H    GLN  44           HN       GLN  44  12.018  14.049   6.338
  364    HA   GLN  44           HA       GLN  44   9.694  15.146   7.459
  365    HB2  GLN  44           HB2      GLN  44  12.609  15.427   8.173
  366    HB3  GLN  44           HB1      GLN  44  11.341  16.207   9.108
  367    HG2  GLN  44           HG2      GLN  44  11.543  13.247   8.611
  368    HG3  GLN  44           HG1      GLN  44  12.087  14.070  10.071
  369   HE21  GLN  44          HE21      GLN  44   9.337  13.048   8.205
  370   HE22  GLN  44          HE22      GLN  44   8.154  13.291   9.440
  371    H    LEU  45           HN       LEU  45  12.078  16.450   5.348
  372    HA   LEU  45           HA       LEU  45  11.880  19.180   5.832
  373    HB2  LEU  45           HB2      LEU  45  13.516  18.332   4.295
  374    HB3  LEU  45           HB1      LEU  45  12.273  17.662   3.256
  375    HG   LEU  45           HG       LEU  45  11.545  20.223   3.120
  376   HD11  LEU  45          HD11      LEU  45  13.534  21.653   3.006
  377   HD12  LEU  45          HD12      LEU  45  14.514  20.324   3.625
  378   HD13  LEU  45          HD13      LEU  45  13.252  21.033   4.633
  379   HD21  LEU  45          HD21      LEU  45  13.745  18.901   1.541
  380   HD22  LEU  45          HD22      LEU  45  12.908  20.375   1.054
  381   HD23  LEU  45          HD23      LEU  45  12.014  18.861   1.199
  382    H    LEU  46           HN       LEU  46   9.937  17.169   3.631
  383    HA   LEU  46           HA       LEU  46   7.779  19.150   3.839
  384    HB2  LEU  46           HB2      LEU  46   8.619  17.769   1.290
  385    HB3  LEU  46           HB1      LEU  46   7.280  18.888   1.466
  386    HG   LEU  46           HG       LEU  46  10.155  19.639   1.956
  387   HD11  LEU  46          HD11      LEU  46   9.924  19.023  -0.364
  388   HD12  LEU  46          HD12      LEU  46  10.026  20.779  -0.231
  389   HD13  LEU  46          HD13      LEU  46   8.467  20.005  -0.513
  390   HD21  LEU  46          HD21      LEU  46   7.651  21.281   1.612
  391   HD22  LEU  46          HD22      LEU  46   9.284  21.931   1.757
  392   HD23  LEU  46          HD23      LEU  46   8.561  21.055   3.106
  393    H    GLN  47           HN       GLN  47   6.719  17.795   5.310
  394    HA   GLN  47           HA       GLN  47   6.023  15.092   4.523
  395    HB2  GLN  47           HB2      GLN  47   6.464  16.146   6.940
  396    HB3  GLN  47           HB1      GLN  47   4.730  16.423   6.854
  397    HG2  GLN  47           HG2      GLN  47   5.974  13.732   6.374
  398    HG3  GLN  47           HG1      GLN  47   5.479  14.290   7.970
  399   HE21  GLN  47          HE21      GLN  47   4.414  13.265   4.828
  400   HE22  GLN  47          HE22      GLN  47   2.750  13.047   5.239
  401    H    ARG  48           HN       ARG  48   5.140  17.096   2.749
  402    HA   ARG  48           HA       ARG  48   2.312  16.507   2.739
  403    HB2  ARG  48           HB2      ARG  48   1.785  18.970   2.293
  404    HB3  ARG  48           HB1      ARG  48   2.112  18.507   3.956
  405    HG2  ARG  48           HG2      ARG  48   4.384  19.352   3.753
  406    HG3  ARG  48           HG1      ARG  48   4.071  19.801   2.076
  407    HD2  ARG  48           HD2      ARG  48   3.885  21.724   3.587
  408    HD3  ARG  48           HD1      ARG  48   2.355  21.363   2.788
  409    HE   ARG  48           HE       ARG  48   2.347  20.024   5.223
  410   HH11  ARG  48          HH11      ARG  48   2.437  23.312   4.068
  411   HH12  ARG  48          HH12      ARG  48   1.620  23.956   5.453
  412   HH21  ARG  48          HH21      ARG  48   1.270  20.864   7.048
  413   HH22  ARG  48          HH22      ARG  48   0.958  22.565   7.148
  414    H    ASP   1           HT1      ASP   1  -6.518 -15.840 -15.077
  415    HA   ASP   1           HA       ASP   1  -4.258 -15.514 -14.359
  416    HB2  ASP   1           HB2      ASP   1  -4.150 -13.477 -16.598
  417    HB3  ASP   1           HB1      ASP   1  -2.884 -13.762 -15.408
  418    H    GLU   2           HN       GLU   2  -6.116 -14.979 -12.886
  419    HA   GLU   2           HA       GLU   2  -5.764 -12.369 -11.832
  420    HB2  GLU   2           HB2      GLU   2  -7.962 -11.437 -12.201
  421    HB3  GLU   2           HB1      GLU   2  -7.262 -11.853 -13.756
  422    HG2  GLU   2           HG2      GLU   2  -8.585 -13.939 -13.755
  423    HG3  GLU   2           HG1      GLU   2  -9.345 -13.418 -12.252
  424    H    ASP   3           HN       ASP   3  -8.483 -12.335 -10.641
  425    HA   ASP   3           HA       ASP   3  -9.635 -13.152  -8.882
  426    HB2  ASP   3           HB2      ASP   3  -9.319 -15.358 -10.326
  427    HB3  ASP   3           HB1      ASP   3  -8.302 -15.813  -8.962
  428    H    THR   4           HN       THR   4  -8.730 -15.100  -6.918
  429    HA   THR   4           HA       THR   4  -7.123 -13.328  -5.383
  430    HB   THR   4           HB       THR   4  -7.295 -16.023  -4.323
  431    HG1  THR   4           HG1      THR   4  -9.533 -16.063  -4.136
  432   HG21  THR   4          HG21      THR   4  -8.240 -13.314  -3.393
  433   HG22  THR   4          HG22      THR   4  -6.729 -14.112  -2.948
  434   HG23  THR   4          HG23      THR   4  -8.271 -14.782  -2.412
  435    H    TYR   5           HN       TYR   5  -5.123 -13.466  -4.716
  436    HA   TYR   5           HA       TYR   5  -3.327 -15.357  -6.080
  437    HB2  TYR   5           HB2      TYR   5  -3.127 -12.400  -5.708
  438    HB3  TYR   5           HB1      TYR   5  -1.701 -13.396  -5.989
  439    HD1  TYR   5           HD2      TYR   5  -1.532 -14.720  -8.096
  440    HD2  TYR   5           HD1      TYR   5  -4.580 -11.822  -7.478
  441    HE1  TYR   5           HE2      TYR   5  -1.944 -14.651 -10.515
  442    HE2  TYR   5           HE1      TYR   5  -5.007 -11.738  -9.893
  443    HH   TYR   5           HH       TYR   5  -4.123 -12.324 -11.946
  444    H    TYR   6           HN       TYR   6  -1.205 -15.602  -4.813
  445    HA   TYR   6           HA       TYR   6  -1.628 -14.913  -1.991
  446    HB2  TYR   6           HB2      TYR   6   0.237 -17.077  -2.990
  447    HB3  TYR   6           HB1      TYR   6  -0.362 -16.842  -1.353
  448    HD1  TYR   6           HD2      TYR   6  -3.262 -16.375  -1.996
  449    HD2  TYR   6           HD1      TYR   6  -0.512 -19.284  -3.433
  450    HE1  TYR   6           HE2      TYR   6  -5.130 -17.899  -2.440
  451    HE2  TYR   6           HE1      TYR   6  -2.377 -20.824  -3.890
  452    HH   TYR   6           HH       TYR   6  -5.624 -19.836  -3.878
  453    H    LEU   7           HN       LEU   7  -0.335 -13.563  -1.051
  454    HA   LEU   7           HA       LEU   7   2.054 -12.599  -2.499
  455    HB2  LEU   7           HB2      LEU   7  -0.225 -11.307  -1.668
  456    HB3  LEU   7           HB1      LEU   7   0.874 -11.002  -0.352
  457    HG   LEU   7           HG       LEU   7   2.107  -9.529  -1.541
  458   HD11  LEU   7          HD11      LEU   7   1.820 -11.408  -3.723
  459   HD12  LEU   7          HD12      LEU   7   3.136 -10.306  -3.338
  460   HD13  LEU   7          HD13      LEU   7   1.736  -9.723  -4.239
  461   HD21  LEU   7          HD21      LEU   7  -0.215  -8.792  -1.484
  462   HD22  LEU   7          HD22      LEU   7  -0.468  -9.509  -3.076
  463   HD23  LEU   7          HD23      LEU   7   0.652  -8.158  -2.886
  464    H    GLN   8           HN       GLN   8   3.809 -13.624  -1.559
  465    HA   GLN   8           HA       GLN   8   3.836 -14.101   1.231
  466    HB2  GLN   8           HB2      GLN   8   5.076 -15.232  -0.867
  467    HB3  GLN   8           HB1      GLN   8   6.361 -14.187  -0.296
  468    HG2  GLN   8           HG2      GLN   8   5.820 -15.259   2.010
  469    HG3  GLN   8           HG1      GLN   8   5.108 -16.529   1.014
  470   HE21  GLN   8          HE21      GLN   8   6.583 -18.088   1.398
  471   HE22  GLN   8          HE22      GLN   8   8.238 -18.000   0.909
  472    H    VAL   9           HN       VAL   9   4.129 -12.620   2.694
  473    HA   VAL   9           HA       VAL   9   5.947 -10.428   2.053
  474    HB   VAL   9           HB       VAL   9   3.342 -10.379   3.553
  475   HG11  VAL   9          HG11      VAL   9   5.575  -8.384   3.773
  476   HG12  VAL   9          HG12      VAL   9   4.762  -9.261   5.070
  477   HG13  VAL   9          HG13      VAL   9   3.899  -8.011   4.175
  478   HG21  VAL   9          HG21      VAL   9   2.745  -8.649   2.043
  479   HG22  VAL   9          HG22      VAL   9   3.471  -9.944   1.091
  480   HG23  VAL   9          HG23      VAL   9   4.403  -8.495   1.466
  481    H    ARG  10           HN       ARG  10   7.641 -10.107   3.410
  482    HA   ARG  10           HA       ARG  10   7.745 -11.859   5.765
  483    HB2  ARG  10           HB2      ARG  10   9.546 -11.848   3.866
  484    HB3  ARG  10           HB1      ARG  10  10.126 -10.392   4.662
  485    HG2  ARG  10           HG2      ARG  10   9.715 -12.924   6.204
  486    HG3  ARG  10           HG1      ARG  10  11.188 -12.651   5.272
  487    HD2  ARG  10           HD2      ARG  10  11.526 -10.536   6.524
  488    HD3  ARG  10           HD1      ARG  10  10.119 -10.933   7.508
  489    HE   ARG  10           HE       ARG  10  12.055 -13.026   7.520
  490   HH11  ARG  10          HH11      ARG  10  11.273  -9.923   8.900
  491   HH12  ARG  10          HH12      ARG  10  12.168 -10.202  10.357
  492   HH21  ARG  10          HH21      ARG  10  13.234 -13.401   9.434
  493   HH22  ARG  10          HH22      ARG  10  13.283 -12.178  10.660
  494    H    GLY  11           HN       GLY  11   8.029 -11.128   7.758
  495    HA2  GLY  11           HA2      GLY  11   8.519  -9.542   9.434
  496    HA3  GLY  11           HA1      GLY  11   8.577  -8.288   8.201
  497    H    ARG  12           HN       ARG  12   6.944  -9.184  10.812
  498    HA   ARG  12           HA       ARG  12   4.252  -9.191  10.198
  499    HB2  ARG  12           HB2      ARG  12   5.520  -9.452  12.475
  500    HB3  ARG  12           HB1      ARG  12   5.208  -7.726  12.623
  501    HG2  ARG  12           HG2      ARG  12   3.448  -8.837  13.738
  502    HG3  ARG  12           HG1      ARG  12   2.785  -8.235  12.218
  503    HD2  ARG  12           HD2      ARG  12   3.324 -10.539  11.269
  504    HD3  ARG  12           HD1      ARG  12   3.544 -11.047  12.942
  505    HE   ARG  12           HE       ARG  12   1.013  -9.857  12.017
  506   HH11  ARG  12          HH11      ARG  12   2.789 -12.410  13.591
  507   HH12  ARG  12          HH12      ARG  12   1.367 -13.251  14.111
  508   HH21  ARG  12          HH21      ARG  12  -0.861 -10.958  12.697
  509   HH22  ARG  12          HH22      ARG  12  -0.707 -12.426  13.603
  510    H    GLU  13           HN       GLU  13   6.222  -6.266  10.862
  511    HA   GLU  13           HA       GLU  13   4.180  -4.429  10.732
  512    HB2  GLU  13           HB2      GLU  13   6.502  -3.898  11.370
  513    HB3  GLU  13           HB1      GLU  13   6.995  -4.065   9.691
  514    HG2  GLU  13           HG2      GLU  13   5.690  -2.166   9.051
  515    HG3  GLU  13           HG1      GLU  13   4.978  -2.057  10.661
  516    H    ASN  14           HN       ASN  14   6.069  -5.733   8.028
  517    HA   ASN  14           HA       ASN  14   4.870  -4.186   5.980
  518    HB2  ASN  14           HB2      ASN  14   7.016  -5.330   5.684
  519    HB3  ASN  14           HB1      ASN  14   6.234  -6.891   5.897
  520   HD21  ASN  14          HD21      ASN  14   7.763  -6.368   3.704
  521   HD22  ASN  14          HD22      ASN  14   6.763  -6.282   2.298
  522    H    PHE  15           HN       PHE  15   4.273  -7.455   7.196
  523    HA   PHE  15           HA       PHE  15   2.263  -8.226   5.446
  524    HB2  PHE  15           HB2      PHE  15   3.435  -9.713   7.056
  525    HB3  PHE  15           HB1      PHE  15   2.511  -8.983   8.363
  526    HD1  PHE  15           HD2      PHE  15   1.409 -10.051   4.961
  527    HD2  PHE  15           HD1      PHE  15   1.153 -10.668   9.173
  528    HE1  PHE  15           HE2      PHE  15  -0.365 -11.692   4.608
  529    HE2  PHE  15           HE1      PHE  15  -0.653 -12.310   8.810
  530    HZ   PHE  15           HZ       PHE  15  -1.408 -12.818   6.519
  531    H    GLU  16           HN       GLU  16   1.974  -6.544   8.564
  532    HA   GLU  16           HA       GLU  16  -0.854  -6.383   8.635
  533    HB2  GLU  16           HB2      GLU  16   1.239  -4.598   9.883
  534    HB3  GLU  16           HB1      GLU  16  -0.475  -4.569  10.275
  535    HG2  GLU  16           HG2      GLU  16   1.388  -6.899  10.678
  536    HG3  GLU  16           HG1      GLU  16   0.801  -5.809  11.933
  537    H    ILE  17           HN       ILE  17   1.533  -4.018   7.388
  538    HA   ILE  17           HA       ILE  17  -0.414  -2.073   6.767
  539    HB   ILE  17           HB       ILE  17   2.413  -2.497   6.096
  540   HG12  ILE  17          HG12      ILE  17   0.981   0.109   6.484
  541   HG13  ILE  17          HG11      ILE  17   1.249  -0.960   7.853
  542   HG21  ILE  17          HG21      ILE  17   2.456  -0.865   4.287
  543   HG22  ILE  17          HG22      ILE  17   0.694  -0.765   4.322
  544   HG23  ILE  17          HG23      ILE  17   1.485  -2.268   3.833
  545   HD11  ILE  17          HD11      ILE  17   3.626  -0.811   7.556
  546   HD12  ILE  17          HD12      ILE  17   2.941   0.818   7.612
  547   HD13  ILE  17          HD13      ILE  17   3.418   0.113   6.066
  548    H    LEU  18           HN       LEU  18   0.904  -4.791   4.855
  549    HA   LEU  18           HA       LEU  18  -0.539  -4.062   2.484
  550    HB2  LEU  18           HB2      LEU  18   1.431  -6.022   3.292
  551    HB3  LEU  18           HB1      LEU  18   0.146  -6.754   2.361
  552    HG   LEU  18           HG       LEU  18   0.550  -4.981   0.605
  553   HD11  LEU  18          HD11      LEU  18   2.803  -3.978   0.637
  554   HD12  LEU  18          HD12      LEU  18   2.989  -4.544   2.298
  555   HD13  LEU  18          HD13      LEU  18   1.737  -3.366   1.903
  556   HD21  LEU  18          HD21      LEU  18   2.826  -6.858   1.209
  557   HD22  LEU  18          HD22      LEU  18   2.449  -6.142  -0.357
  558   HD23  LEU  18          HD23      LEU  18   1.333  -7.296   0.377
  559    H    MET  19           HN       MET  19  -1.009  -6.293   5.194
  560    HA   MET  19           HA       MET  19  -3.194  -7.687   4.100
  561    HB2  MET  19           HB2      MET  19  -1.737  -8.006   6.367
  562    HB3  MET  19           HB1      MET  19  -3.163  -7.252   7.053
  563    HG2  MET  19           HG2      MET  19  -3.079  -9.806   5.475
  564    HG3  MET  19           HG1      MET  19  -3.277  -9.651   7.212
  565    HE1  MET  19           HE1      MET  19  -5.469 -11.333   6.833
  566    HE2  MET  19           HE2      MET  19  -5.008 -11.283   5.130
  567    HE3  MET  19           HE3      MET  19  -6.679 -10.964   5.604
  568    H    LYS  20           HN       LYS  20  -3.137  -4.927   6.323
  569    HA   LYS  20           HA       LYS  20  -5.884  -4.441   6.485
  570    HB2  LYS  20           HB2      LYS  20  -3.841  -3.333   7.678
  571    HB3  LYS  20           HB1      LYS  20  -3.885  -2.219   6.320
  572    HG2  LYS  20           HG2      LYS  20  -6.313  -2.767   7.992
  573    HG3  LYS  20           HG1      LYS  20  -5.120  -1.548   8.442
  574    HD2  LYS  20           HD2      LYS  20  -5.454  -0.520   6.180
  575    HD3  LYS  20           HD1      LYS  20  -6.792  -1.643   5.937
  576    HE2  LYS  20           HE2      LYS  20  -6.590   0.330   8.206
  577    HE3  LYS  20           HE1      LYS  20  -7.510   0.593   6.727
  578    HZ1  LYS  20           HZ1      LYS  20  -8.929  -0.195   8.507
  579    HZ2  LYS  20           HZ2      LYS  20  -7.977  -1.579   8.699
  580    HZ3  LYS  20           HZ3      LYS  20  -8.854  -1.348   7.271
  581    H    LEU  21           HN       LEU  21  -3.458  -3.571   4.139
  582    HA   LEU  21           HA       LEU  21  -5.111  -1.911   2.551
  583    HB2  LEU  21           HB2      LEU  21  -2.519  -2.121   2.735
  584    HB3  LEU  21           HB1      LEU  21  -2.690  -3.406   1.565
  585    HG   LEU  21           HG       LEU  21  -3.154  -0.472   1.208
  586   HD11  LEU  21          HD11      LEU  21  -1.685  -1.087  -0.824
  587   HD12  LEU  21          HD12      LEU  21  -1.347  -2.564   0.079
  588   HD13  LEU  21          HD13      LEU  21  -0.948  -0.995   0.774
  589   HD21  LEU  21          HD21      LEU  21  -3.922  -1.022  -1.104
  590   HD22  LEU  21          HD22      LEU  21  -5.076  -1.433   0.163
  591   HD23  LEU  21          HD23      LEU  21  -4.104  -2.698  -0.586
  592    H    LYS  22           HN       LYS  22  -4.310  -5.345   2.380
  593    HA   LYS  22           HA       LYS  22  -5.399  -5.910  -0.117
  594    HB2  LYS  22           HB2      LYS  22  -4.135  -7.592   1.088
  595    HB3  LYS  22           HB1      LYS  22  -5.325  -7.613   2.383
  596    HG2  LYS  22           HG2      LYS  22  -6.440  -8.189  -0.257
  597    HG3  LYS  22           HG1      LYS  22  -5.235  -9.356   0.289
  598    HD2  LYS  22           HD2      LYS  22  -7.378  -8.499   2.177
  599    HD3  LYS  22           HD1      LYS  22  -7.775  -9.652   0.901
  600    HE2  LYS  22           HE2      LYS  22  -7.115 -10.724   3.041
  601    HE3  LYS  22           HE1      LYS  22  -6.093 -11.179   1.680
  602    HZ1  LYS  22           HZ1      LYS  22  -4.443  -9.593   2.424
  603    HZ2  LYS  22           HZ2      LYS  22  -4.792 -10.697   3.656
  604    HZ3  LYS  22           HZ3      LYS  22  -5.426  -9.131   3.720
  605    H    GLU  23           HN       GLU  23  -6.874  -5.558   3.041
  606    HA   GLU  23           HA       GLU  23  -9.497  -6.323   2.272
  607    HB2  GLU  23           HB2      GLU  23  -8.563  -4.540   4.533
  608    HB3  GLU  23           HB1      GLU  23 -10.194  -5.170   4.357
  609    HG2  GLU  23           HG2      GLU  23  -9.414  -7.421   4.649
  610    HG3  GLU  23           HG1      GLU  23  -7.739  -6.880   4.655
  611    H    SER  24           HN       SER  24  -7.927  -3.116   2.517
  612    HA   SER  24           HA       SER  24 -10.191  -1.683   1.788
  613    HB2  SER  24           HB2      SER  24  -8.684   0.178   1.259
  614    HB3  SER  24           HB1      SER  24  -8.190  -0.621   2.746
  615    HG   SER  24           HG       SER  24  -7.048  -0.963   0.172
  616    H    LEU  25           HN       LEU  25  -7.578  -2.908  -0.326
  617    HA   LEU  25           HA       LEU  25  -8.649  -1.878  -2.757
  618    HB2  LEU  25           HB2      LEU  25  -6.641  -3.955  -2.028
  619    HB3  LEU  25           HB1      LEU  25  -7.265  -3.928  -3.665
  620    HG   LEU  25           HG       LEU  25  -6.010  -1.510  -2.372
  621   HD11  LEU  25          HD11      LEU  25  -4.433  -3.414  -2.434
  622   HD12  LEU  25          HD12      LEU  25  -3.955  -2.077  -3.478
  623   HD13  LEU  25          HD13      LEU  25  -4.683  -3.526  -4.175
  624   HD21  LEU  25          HD21      LEU  25  -5.837  -0.664  -4.581
  625   HD22  LEU  25          HD22      LEU  25  -7.494  -1.245  -4.392
  626   HD23  LEU  25          HD23      LEU  25  -6.314  -2.211  -5.283
  627    H    GLU  26           HN       GLU  26  -8.995  -5.033  -1.178
  628    HA   GLU  26           HA       GLU  26 -10.577  -6.169  -3.245
  629    HB2  GLU  26           HB2      GLU  26 -10.093  -6.911  -0.377
  630    HB3  GLU  26           HB1      GLU  26 -11.238  -7.800  -1.375
  631    HG2  GLU  26           HG2      GLU  26  -9.296  -8.034  -3.036
  632    HG3  GLU  26           HG1      GLU  26  -8.271  -7.554  -1.685
  633    H    LEU  27           HN       LEU  27 -11.384  -4.560  -0.193
  634    HA   LEU  27           HA       LEU  27 -14.209  -4.889  -0.369
  635    HB2  LEU  27           HB2      LEU  27 -12.404  -3.052   1.162
  636    HB3  LEU  27           HB1      LEU  27 -14.143  -2.834   1.186
  637    HG   LEU  27           HG       LEU  27 -12.800  -5.418   1.976
  638   HD11  LEU  27          HD11      LEU  27 -13.140  -4.754   4.285
  639   HD12  LEU  27          HD12      LEU  27 -13.766  -3.190   3.761
  640   HD13  LEU  27          HD13      LEU  27 -12.079  -3.611   3.463
  641   HD21  LEU  27          HD21      LEU  27 -15.130  -5.626   1.311
  642   HD22  LEU  27          HD22      LEU  27 -15.577  -4.338   2.432
  643   HD23  LEU  27          HD23      LEU  27 -14.952  -5.868   3.050
  644    H    MET  28           HN       MET  28 -12.033  -2.435  -1.735
  645    HA   MET  28           HA       MET  28 -13.979  -0.592  -2.272
  646    HB2  MET  28           HB2      MET  28 -11.509  -0.290  -2.703
  647    HB3  MET  28           HB1      MET  28 -11.710  -1.219  -4.183
  648    HG2  MET  28           HG2      MET  28 -13.540   0.561  -4.701
  649    HG3  MET  28           HG1      MET  28 -12.660   1.517  -3.519
  650    HE1  MET  28           HE1      MET  28 -10.656   2.791  -3.911
  651    HE2  MET  28           HE2      MET  28  -9.456   2.522  -5.177
  652    HE3  MET  28           HE3      MET  28  -9.661   1.338  -3.890
  653    H    GLU  29           HN       GLU  29 -13.871  -3.748  -3.511
  654    HA   GLU  29           HA       GLU  29 -15.335  -3.108  -5.937
  655    HB2  GLU  29           HB2      GLU  29 -14.933  -5.263  -6.614
  656    HB3  GLU  29           HB1      GLU  29 -13.536  -4.967  -5.591
  657    HG2  GLU  29           HG2      GLU  29 -14.710  -6.113  -3.736
  658    HG3  GLU  29           HG1      GLU  29 -16.022  -6.491  -4.848
  659    H    LEU  30           HN       LEU  30 -16.017  -4.071  -2.668
  660    HA   LEU  30           HA       LEU  30 -18.648  -5.076  -3.380
  661    HB2  LEU  30           HB2      LEU  30 -18.597  -6.212  -1.462
  662    HB3  LEU  30           HB1      LEU  30 -16.891  -5.826  -1.460
  663    HG   LEU  30           HG       LEU  30 -18.983  -4.209  -0.027
  664   HD11  LEU  30          HD11      LEU  30 -18.864  -6.443   0.923
  665   HD12  LEU  30          HD12      LEU  30 -18.121  -5.275   2.016
  666   HD13  LEU  30          HD13      LEU  30 -17.108  -6.323   1.024
  667   HD21  LEU  30          HD21      LEU  30 -16.965  -3.380   1.214
  668   HD22  LEU  30          HD22      LEU  30 -17.094  -2.854  -0.464
  669   HD23  LEU  30          HD23      LEU  30 -15.985  -4.154  -0.029
  670    H    VAL  31           HN       VAL  31 -17.435  -2.123  -3.169
  671    HA   VAL  31           HA       VAL  31 -19.717  -0.995  -1.708
  672    HB   VAL  31           HB       VAL  31 -17.649  -0.002  -1.016
  673   HG11  VAL  31          HG11      VAL  31 -16.285  -0.584  -2.948
  674   HG12  VAL  31          HG12      VAL  31 -16.137   1.131  -2.566
  675   HG13  VAL  31          HG13      VAL  31 -17.137   0.613  -3.923
  676   HG21  VAL  31          HG21      VAL  31 -19.494   1.646  -2.668
  677   HG22  VAL  31          HG22      VAL  31 -18.026   2.396  -2.051
  678   HG23  VAL  31          HG23      VAL  31 -19.188   1.685  -0.932
  679    HA   PRO  32           HA       PRO  32 -22.000  -0.586  -5.497
  680    HB2  PRO  32           HB2      PRO  32 -22.822   1.936  -4.086
  681    HB3  PRO  32           HB1      PRO  32 -23.820   0.776  -4.972
  682    HG2  PRO  32           HG2      PRO  32 -23.704   0.742  -2.299
  683    HG3  PRO  32           HG1      PRO  32 -23.817  -0.756  -3.240
  684    HD2  PRO  32           HD2      PRO  32 -21.524   0.353  -1.738
  685    HD3  PRO  32           HD1      PRO  32 -21.866  -1.328  -2.199
  686    H    GLN  33           HN       GLN  33 -21.282   0.206  -7.376
  687    HA   GLN  33           HA       GLN  33 -19.093   1.799  -7.732
  688    HB2  GLN  33           HB2      GLN  33 -20.044   0.438  -9.510
  689    HB3  GLN  33           HB1      GLN  33 -21.442   1.499  -9.604
  690    HG2  GLN  33           HG2      GLN  33 -20.033   3.329 -10.345
  691    HG3  GLN  33           HG1      GLN  33 -18.605   2.305 -10.199
  692   HE21  GLN  33          HE21      GLN  33 -21.476   2.985 -12.030
  693   HE22  GLN  33          HE22      GLN  33 -21.065   2.037 -13.414
  694    HA   PRO  34           HA       PRO  34 -22.148   5.646  -8.427
  695    HB2  PRO  34           HB2      PRO  34 -23.965   4.930  -6.173
  696    HB3  PRO  34           HB1      PRO  34 -24.324   5.773  -7.685
  697    HG2  PRO  34           HG2      PRO  34 -25.034   3.237  -7.372
  698    HG3  PRO  34           HG1      PRO  34 -24.379   3.803  -8.921
  699    HD2  PRO  34           HD2      PRO  34 -23.053   2.209  -6.769
  700    HD3  PRO  34           HD1      PRO  34 -22.899   2.072  -8.533
  701    H    LEU  35           HN       LEU  35 -21.366   4.093  -5.360
  702    HA   LEU  35           HA       LEU  35 -21.076   6.560  -3.910
  703    HB2  LEU  35           HB2      LEU  35 -20.810   3.668  -3.345
  704    HB3  LEU  35           HB1      LEU  35 -19.791   4.723  -2.390
  705    HG   LEU  35           HG       LEU  35 -22.675   5.398  -2.577
  706   HD11  LEU  35          HD11      LEU  35 -22.752   3.006  -2.193
  707   HD12  LEU  35          HD12      LEU  35 -23.180   3.868  -0.715
  708   HD13  LEU  35          HD13      LEU  35 -21.576   3.155  -0.887
  709   HD21  LEU  35          HD21      LEU  35 -22.284   6.097  -0.259
  710   HD22  LEU  35          HD22      LEU  35 -21.135   6.848  -1.366
  711   HD23  LEU  35          HD23      LEU  35 -20.629   5.491  -0.359
  712    H    VAL  36           HN       VAL  36 -18.992   4.365  -5.656
  713    HA   VAL  36           HA       VAL  36 -16.549   5.493  -4.659
  714    HB   VAL  36           HB       VAL  36 -17.108   3.756  -7.070
  715   HG11  VAL  36          HG11      VAL  36 -14.464   4.764  -6.023
  716   HG12  VAL  36          HG12      VAL  36 -15.180   5.099  -7.599
  717   HG13  VAL  36          HG13      VAL  36 -14.643   3.467  -7.204
  718   HG21  VAL  36          HG21      VAL  36 -15.774   3.175  -4.425
  719   HG22  VAL  36          HG22      VAL  36 -15.955   2.032  -5.756
  720   HG23  VAL  36          HG23      VAL  36 -17.383   2.645  -4.921
  721    H    ASP  37           HN       ASP  37 -18.570   6.027  -7.505
  722    HA   ASP  37           HA       ASP  37 -16.864   7.825  -8.820
  723    HB2  ASP  37           HB2      ASP  37 -19.887   7.652  -8.797
  724    HB3  ASP  37           HB1      ASP  37 -18.967   8.680  -9.892
  725    H    SER  38           HN       SER  38 -19.462   8.380  -6.420
  726    HA   SER  38           HA       SER  38 -19.270  11.159  -6.359
  727    HB2  SER  38           HB2      SER  38 -21.123   9.936  -5.327
  728    HB3  SER  38           HB1      SER  38 -20.028   9.280  -4.109
  729    HG   SER  38           HG       SER  38 -19.860  11.978  -4.234
  730    H    TYR  39           HN       TYR  39 -17.539   8.740  -4.397
  731    HA   TYR  39           HA       TYR  39 -16.164  10.552  -2.752
  732    HB2  TYR  39           HB2      TYR  39 -16.065   8.357  -1.990
  733    HB3  TYR  39           HB1      TYR  39 -15.688   7.712  -3.585
  734    HD1  TYR  39           HD1      TYR  39 -14.282   9.559  -0.705
  735    HD2  TYR  39           HD2      TYR  39 -13.439   7.446  -4.297
  736    HE1  TYR  39           HE1      TYR  39 -11.894   9.553  -0.137
  737    HE2  TYR  39           HE2      TYR  39 -11.057   7.433  -3.744
  738    HH   TYR  39           HH       TYR  39  -9.876   8.307  -0.658
  739    H    ARG  40           HN       ARG  40 -15.247   9.033  -5.818
  740    HA   ARG  40           HA       ARG  40 -12.663  10.038  -6.030
  741    HB2  ARG  40           HB2      ARG  40 -14.705   9.308  -8.123
  742    HB3  ARG  40           HB1      ARG  40 -13.072   9.813  -8.541
  743    HG2  ARG  40           HG2      ARG  40 -12.161   7.947  -7.263
  744    HG3  ARG  40           HG1      ARG  40 -13.796   7.447  -6.826
  745    HD2  ARG  40           HD2      ARG  40 -14.310   7.140  -9.217
  746    HD3  ARG  40           HD1      ARG  40 -12.646   7.572  -9.611
  747    HE   ARG  40           HE       ARG  40 -12.507   5.481  -7.806
  748   HH11  ARG  40          HH11      ARG  40 -13.793   6.028 -10.999
  749   HH12  ARG  40          HH12      ARG  40 -13.585   4.385 -11.504
  750   HH21  ARG  40          HH21      ARG  40 -12.233   3.315  -8.462
  751   HH22  ARG  40          HH22      ARG  40 -12.699   2.842 -10.062
  752    H    GLN  41           HN       GLN  41 -15.748  11.541  -6.756
  753    HA   GLN  41           HA       GLN  41 -14.701  13.873  -8.020
  754    HB2  GLN  41           HB2      GLN  41 -17.052  13.259  -8.269
  755    HB3  GLN  41           HB1      GLN  41 -17.304  13.428  -6.537
  756    HG2  GLN  41           HG2      GLN  41 -16.870  15.807  -6.680
  757    HG3  GLN  41           HG1      GLN  41 -16.529  15.660  -8.403
  758   HE21  GLN  41          HE21      GLN  41 -18.228  15.301  -9.838
  759   HE22  GLN  41          HE22      GLN  41 -19.875  15.576  -9.396
  760    H    GLN  42           HN       GLN  42 -15.761  13.183  -4.703
  761    HA   GLN  42           HA       GLN  42 -15.111  15.670  -3.594
  762    HB2  GLN  42           HB2      GLN  42 -16.497  14.098  -2.387
  763    HB3  GLN  42           HB1      GLN  42 -15.196  12.916  -2.346
  764    HG2  GLN  42           HG2      GLN  42 -13.905  14.332  -0.880
  765    HG3  GLN  42           HG1      GLN  42 -15.128  15.597  -0.981
  766   HE21  GLN  42          HE21      GLN  42 -14.088  14.161   1.341
  767   HE22  GLN  42          HE22      GLN  42 -15.458  13.437   2.106
  768    H    GLN  43           HN       GLN  43 -13.176  12.980  -4.537
  769    HA   GLN  43           HA       GLN  43 -10.845  13.730  -3.026
  770    HB2  GLN  43           HB2      GLN  43 -11.248  11.388  -3.610
  771    HB3  GLN  43           HB1      GLN  43 -11.189  11.789  -5.320
  772    HG2  GLN  43           HG2      GLN  43  -8.842  12.486  -5.044
  773    HG3  GLN  43           HG1      GLN  43  -8.918  11.982  -3.356
  774   HE21  GLN  43          HE21      GLN  43  -8.852  10.930  -6.665
  775   HE22  GLN  43          HE22      GLN  43  -8.524   9.265  -6.343
  776    H    GLN  44           HN       GLN  44 -11.997  14.064  -6.348
  777    HA   GLN  44           HA       GLN  44  -9.670  15.155  -7.469
  778    HB2  GLN  44           HB2      GLN  44 -12.585  15.439  -8.184
  779    HB3  GLN  44           HB1      GLN  44 -11.315  16.217  -9.119
  780    HG2  GLN  44           HG2      GLN  44 -11.521  13.257  -8.621
  781    HG3  GLN  44           HG1      GLN  44 -12.064  14.080 -10.081
  782   HE21  GLN  44          HE21      GLN  44  -9.316  13.055  -8.215
  783   HE22  GLN  44          HE22      GLN  44  -8.132  13.297  -9.450
  784    H    LEU  45           HN       LEU  45 -12.054  16.465  -5.361
  785    HA   LEU  45           HA       LEU  45 -11.850  19.193  -5.847
  786    HB2  LEU  45           HB2      LEU  45 -13.487  18.348  -4.310
  787    HB3  LEU  45           HB1      LEU  45 -12.246  17.676  -3.270
  788    HG   LEU  45           HG       LEU  45 -11.514  20.237  -3.135
  789   HD11  LEU  45          HD11      LEU  45 -13.501  21.669  -3.021
  790   HD12  LEU  45          HD12      LEU  45 -14.483  20.340  -3.640
  791   HD13  LEU  45          HD13      LEU  45 -13.221  21.049  -4.648
  792   HD21  LEU  45          HD21      LEU  45 -13.715  18.918  -1.555
  793   HD22  LEU  45          HD22      LEU  45 -12.877  20.392  -1.069
  794   HD23  LEU  45          HD23      LEU  45 -11.984  18.877  -1.213
  795    H    LEU  46           HN       LEU  46  -9.911  17.181  -3.646
  796    HA   LEU  46           HA       LEU  46  -7.751  19.159  -3.852
  797    HB2  LEU  46           HB2      LEU  46  -8.594  17.779  -1.302
  798    HB3  LEU  46           HB1      LEU  46  -7.254  18.896  -1.477
  799    HG   LEU  46           HG       LEU  46 -10.127  19.651  -1.969
  800   HD11  LEU  46          HD11      LEU  46  -9.897  19.036   0.351
  801   HD12  LEU  46          HD12      LEU  46  -9.996  20.792   0.217
  802   HD13  LEU  46          HD13      LEU  46  -8.438  20.016   0.500
  803   HD21  LEU  46          HD21      LEU  46  -7.620  21.288  -1.627
  804   HD22  LEU  46          HD22      LEU  46  -9.251  21.941  -1.772
  805   HD23  LEU  46          HD23      LEU  46  -8.530  21.062  -3.120
  806    H    GLN  47           HN       GLN  47  -6.691  17.802  -5.323
  807    HA   GLN  47           HA       GLN  47  -6.001  15.099  -4.533
  808    HB2  GLN  47           HB2      GLN  47  -6.438  16.151  -6.951
  809    HB3  GLN  47           HB1      GLN  47  -4.704  16.424  -6.864
  810    HG2  GLN  47           HG2      GLN  47  -5.952  13.737  -6.383
  811    HG3  GLN  47           HG1      GLN  47  -5.457  14.293  -7.980
  812   HE21  GLN  47          HE21      GLN  47  -4.394  13.268  -4.838
  813   HE22  GLN  47          HE22      GLN  47  -2.730  13.045  -5.248
  814    H    ARG  48           HN       ARG  48  -5.114  17.100  -2.759
  815    HA   ARG  48           HA       ARG  48  -2.288  16.509  -2.748
  816    HB2  ARG  48           HB2      ARG  48  -1.757  18.971  -2.305
  817    HB3  ARG  48           HB1      ARG  48  -2.085  18.506  -3.968
  818    HG2  ARG  48           HG2      ARG  48  -4.356  19.356  -3.766
  819    HG3  ARG  48           HG1      ARG  48  -4.042  19.805  -2.089
  820    HD2  ARG  48           HD2      ARG  48  -3.853  21.727  -3.602
  821    HD3  ARG  48           HD1      ARG  48  -2.324  21.364  -2.802
  822    HE   ARG  48           HE       ARG  48  -2.317  20.024  -5.236
  823   HH11  ARG  48          HH11      ARG  48  -2.401  23.313  -4.084
  824   HH12  ARG  48          HH12      ARG  48  -1.585  23.954  -5.470
  825   HH21  ARG  48          HH21      ARG  48  -1.239  20.862  -7.063
  826   HH22  ARG  48          HH22      ARG  48  -0.923  22.562  -7.162
  827    H    ASP   1           HT1      ASP   1   6.524  15.839 -15.074
  828    HA   ASP   1           HA       ASP   1   4.264  15.512 -14.358
  829    HB2  ASP   1           HB2      ASP   1   4.158  13.477 -16.598
  830    HB3  ASP   1           HB1      ASP   1   2.891  13.761 -15.409
  831    H    GLU   2           HN       GLU   2   6.123  14.978 -12.884
  832    HA   GLU   2           HA       GLU   2   5.770  12.368 -11.829
  833    HB2  GLU   2           HB2      GLU   2   7.967  11.435 -12.198
  834    HB3  GLU   2           HB1      GLU   2   7.267  11.852 -13.753
  835    HG2  GLU   2           HG2      GLU   2   8.591  13.937 -13.752
  836    HG3  GLU   2           HG1      GLU   2   9.351  13.416 -12.248
  837    H    ASP   3           HN       ASP   3   8.490  12.333 -10.638
  838    HA   ASP   3           HA       ASP   3   9.640  13.150  -8.878
  839    HB2  ASP   3           HB2      ASP   3   9.325  15.354 -10.323
  840    HB3  ASP   3           HB1      ASP   3   8.307  15.809  -8.960
  841    H    THR   4           HN       THR   4   8.736  15.096  -6.915
  842    HA   THR   4           HA       THR   4   7.126  13.326  -5.381
  843    HB   THR   4           HB       THR   4   7.299  16.020  -4.320
  844    HG1  THR   4           HG1      THR   4   9.536  16.062  -4.133
  845   HG21  THR   4          HG21      THR   4   8.243  13.310  -3.393
  846   HG22  THR   4          HG22      THR   4   6.733  14.109  -2.946
  847   HG23  THR   4          HG23      THR   4   8.275  14.777  -2.411
  848    H    TYR   5           HN       TYR   5   5.128  13.464  -4.714
  849    HA   TYR   5           HA       TYR   5   3.331  15.356  -6.078
  850    HB2  TYR   5           HB2      TYR   5   3.131  12.399  -5.707
  851    HB3  TYR   5           HB1      TYR   5   1.705  13.395  -5.987
  852    HD1  TYR   5           HD2      TYR   5   1.538  14.720  -8.095
  853    HD2  TYR   5           HD1      TYR   5   4.584  11.820  -7.476
  854    HE1  TYR   5           HE2      TYR   5   1.950  14.648 -10.514
  855    HE2  TYR   5           HE1      TYR   5   5.012  11.735  -9.891
  856    HH   TYR   5           HH       TYR   5   4.129  12.320 -11.944
  857    H    TYR   6           HN       TYR   6   1.210  15.600  -4.812
  858    HA   TYR   6           HA       TYR   6   1.630  14.912  -1.990
  859    HB2  TYR   6           HB2      TYR   6  -0.234  17.076  -2.989
  860    HB3  TYR   6           HB1      TYR   6   0.365  16.840  -1.353
  861    HD1  TYR   6           HD2      TYR   6   3.265  16.373  -1.997
  862    HD2  TYR   6           HD1      TYR   6   0.516  19.284  -3.432
  863    HE1  TYR   6           HE2      TYR   6   5.134  17.896  -2.439
  864    HE2  TYR   6           HE1      TYR   6   2.381  20.823  -3.888
  865    HH   TYR   6           HH       TYR   6   5.628  19.834  -3.875
  866    H    LEU   7           HN       LEU   7   0.338  13.562  -1.052
  867    HA   LEU   7           HA       LEU   7  -2.051  12.598  -2.500
  868    HB2  LEU   7           HB2      LEU   7   0.228  11.307  -1.668
  869    HB3  LEU   7           HB1      LEU   7  -0.872  11.001  -0.353
  870    HG   LEU   7           HG       LEU   7  -2.104   9.528  -1.541
  871   HD11  LEU   7          HD11      LEU   7  -1.817  11.406  -3.724
  872   HD12  LEU   7          HD12      LEU   7  -3.132  10.304  -3.339
  873   HD13  LEU   7          HD13      LEU   7  -1.732   9.721  -4.239
  874   HD21  LEU   7          HD21      LEU   7   0.218   8.790  -1.484
  875   HD22  LEU   7          HD22      LEU   7   0.472   9.506  -3.076
  876   HD23  LEU   7          HD23      LEU   7  -0.648   8.156  -2.886
  877    H    GLN   8           HN       GLN   8  -3.806  13.623  -1.560
  878    HA   GLN   8           HA       GLN   8  -3.833  14.100   1.230
  879    HB2  GLN   8           HB2      GLN   8  -5.073  15.231  -0.869
  880    HB3  GLN   8           HB1      GLN   8  -6.358  14.185  -0.298
  881    HG2  GLN   8           HG2      GLN   8  -5.818  15.259   2.008
  882    HG3  GLN   8           HG1      GLN   8  -5.105  16.528   1.011
  883   HE21  GLN   8          HE21      GLN   8  -6.580  18.089   1.396
  884   HE22  GLN   8          HE22      GLN   8  -8.236  18.001   0.907
  885    H    VAL   9           HN       VAL   9  -4.126  12.619   2.694
  886    HA   VAL   9           HA       VAL   9  -5.945  10.428   2.052
  887    HB   VAL   9           HB       VAL   9  -3.340  10.378   3.552
  888   HG11  VAL   9          HG11      VAL   9  -5.574   8.383   3.772
  889   HG12  VAL   9          HG12      VAL   9  -4.761   9.260   5.069
  890   HG13  VAL   9          HG13      VAL   9  -3.898   8.009   4.174
  891   HG21  VAL   9          HG21      VAL   9  -2.744   8.648   2.042
  892   HG22  VAL   9          HG22      VAL   9  -3.470   9.944   1.090
  893   HG23  VAL   9          HG23      VAL   9  -4.402   8.494   1.465
  894    H    ARG  10           HN       ARG  10  -7.640  10.107   3.408
  895    HA   ARG  10           HA       ARG  10  -7.744  11.860   5.764
  896    HB2  ARG  10           HB2      ARG  10  -9.545  11.849   3.864
  897    HB3  ARG  10           HB1      ARG  10 -10.124  10.393   4.659
  898    HG2  ARG  10           HG2      ARG  10  -9.715  12.924   6.202
  899    HG3  ARG  10           HG1      ARG  10 -11.187  12.652   5.270
  900    HD2  ARG  10           HD2      ARG  10 -11.525  10.536   6.521
  901    HD3  ARG  10           HD1      ARG  10 -10.119  10.932   7.506
  902    HE   ARG  10           HE       ARG  10 -12.054  13.026   7.517
  903   HH11  ARG  10          HH11      ARG  10 -11.273   9.923   8.897
  904   HH12  ARG  10          HH12      ARG  10 -12.168  10.202  10.354
  905   HH21  ARG  10          HH21      ARG  10 -13.235  13.401   9.431
  906   HH22  ARG  10          HH22      ARG  10 -13.284  12.178  10.656
  907    H    GLY  11           HN       GLY  11  -8.028  11.128   7.756
  908    HA2  GLY  11           HA2      GLY  11  -8.519   9.542   9.432
  909    HA3  GLY  11           HA1      GLY  11  -8.578   8.288   8.199
  910    H    ARG  12           HN       ARG  12  -6.945   9.183  10.809
  911    HA   ARG  12           HA       ARG  12  -4.252   9.190  10.196
  912    HB2  ARG  12           HB2      ARG  12  -5.522   9.450  12.473
  913    HB3  ARG  12           HB1      ARG  12  -5.210   7.725  12.620
  914    HG2  ARG  12           HG2      ARG  12  -3.450   8.836  13.737
  915    HG3  ARG  12           HG1      ARG  12  -2.787   8.234  12.216
  916    HD2  ARG  12           HD2      ARG  12  -3.326  10.538  11.267
  917    HD3  ARG  12           HD1      ARG  12  -3.546  11.046  12.941
  918    HE   ARG  12           HE       ARG  12  -1.014   9.855  12.017
  919   HH11  ARG  12          HH11      ARG  12  -2.791  12.409  13.591
  920   HH12  ARG  12          HH12      ARG  12  -1.369  13.249  14.113
  921   HH21  ARG  12          HH21      ARG  12   0.859  10.956  12.698
  922   HH22  ARG  12          HH22      ARG  12   0.705  12.425  13.603
  923    H    GLU  13           HN       GLU  13  -6.223   6.265  10.859
  924    HA   GLU  13           HA       GLU  13  -4.182   4.428  10.732
  925    HB2  GLU  13           HB2      GLU  13  -6.504   3.898  11.368
  926    HB3  GLU  13           HB1      GLU  13  -6.996   4.066   9.689
  927    HG2  GLU  13           HG2      GLU  13  -5.691   2.165   9.050
  928    HG3  GLU  13           HG1      GLU  13  -4.980   2.056  10.659
  929    H    ASN  14           HN       ASN  14  -6.069   5.732   8.027
  930    HA   ASN  14           HA       ASN  14  -4.870   4.186   5.978
  931    HB2  ASN  14           HB2      ASN  14  -7.015   5.330   5.681
  932    HB3  ASN  14           HB1      ASN  14  -6.235   6.891   5.895
  933   HD21  ASN  14          HD21      ASN  14  -7.762   6.367   3.702
  934   HD22  ASN  14          HD22      ASN  14  -6.762   6.281   2.296
  935    H    PHE  15           HN       PHE  15  -4.273   7.454   7.195
  936    HA   PHE  15           HA       PHE  15  -2.262   8.225   5.445
  937    HB2  PHE  15           HB2      PHE  15  -3.435   9.711   7.057
  938    HB3  PHE  15           HB1      PHE  15  -2.510   8.980   8.363
  939    HD1  PHE  15           HD2      PHE  15  -1.408  10.049   4.961
  940    HD2  PHE  15           HD1      PHE  15  -1.154  10.667   9.174
  941    HE1  PHE  15           HE2      PHE  15   0.367  11.691   4.609
  942    HE2  PHE  15           HE1      PHE  15   0.652  12.309   8.812
  943    HZ   PHE  15           HZ       PHE  15   1.409  12.817   6.521
  944    H    GLU  16           HN       GLU  16  -1.974   6.544   8.563
  945    HA   GLU  16           HA       GLU  16   0.853   6.382   8.635
  946    HB2  GLU  16           HB2      GLU  16  -1.241   4.598   9.882
  947    HB3  GLU  16           HB1      GLU  16   0.473   4.566  10.275
  948    HG2  GLU  16           HG2      GLU  16  -1.388   6.898  10.677
  949    HG3  GLU  16           HG1      GLU  16  -0.803   5.808  11.932
  950    H    ILE  17           HN       ILE  17  -1.534   4.016   7.387
  951    HA   ILE  17           HA       ILE  17   0.413   2.072   6.767
  952    HB   ILE  17           HB       ILE  17  -2.414   2.496   6.094
  953   HG12  ILE  17          HG12      ILE  17  -0.982  -0.110   6.485
  954   HG13  ILE  17          HG11      ILE  17  -1.251   0.961   7.853
  955   HG21  ILE  17          HG21      ILE  17  -2.456   0.864   4.286
  956   HG22  ILE  17          HG22      ILE  17  -0.694   0.763   4.322
  957   HG23  ILE  17          HG23      ILE  17  -1.484   2.266   3.832
  958   HD11  ILE  17          HD11      ILE  17  -3.627   0.809   7.556
  959   HD12  ILE  17          HD12      ILE  17  -2.941  -0.820   7.613
  960   HD13  ILE  17          HD13      ILE  17  -3.419  -0.114   6.066
  961    H    LEU  18           HN       LEU  18  -0.904   4.790   4.854
  962    HA   LEU  18           HA       LEU  18   0.541   4.060   2.484
  963    HB2  LEU  18           HB2      LEU  18  -1.430   6.019   3.292
  964    HB3  LEU  18           HB1      LEU  18  -0.144   6.753   2.361
  965    HG   LEU  18           HG       LEU  18  -0.549   4.979   0.605
  966   HD11  LEU  18          HD11      LEU  18  -2.802   3.976   0.638
  967   HD12  LEU  18          HD12      LEU  18  -2.989   4.544   2.298
  968   HD13  LEU  18          HD13      LEU  18  -1.737   3.365   1.905
  969   HD21  LEU  18          HD21      LEU  18  -2.824   6.857   1.209
  970   HD22  LEU  18          HD22      LEU  18  -2.448   6.141  -0.357
  971   HD23  LEU  18          HD23      LEU  18  -1.332   7.295   0.376
  972    H    MET  19           HN       MET  19   1.010   6.290   5.195
  973    HA   MET  19           HA       MET  19   3.194   7.685   4.101
  974    HB2  MET  19           HB2      MET  19   1.738   8.005   6.368
  975    HB3  MET  19           HB1      MET  19   3.162   7.250   7.054
  976    HG2  MET  19           HG2      MET  19   3.079   9.805   5.475
  977    HG3  MET  19           HG1      MET  19   3.278   9.649   7.213
  978    HE1  MET  19           HE1      MET  19   5.469  11.330   6.835
  979    HE2  MET  19           HE2      MET  19   5.009  11.282   5.132
  980    HE3  MET  19           HE3      MET  19   6.680  10.963   5.606
  981    H    LYS  20           HN       LYS  20   3.137   4.925   6.324
  982    HA   LYS  20           HA       LYS  20   5.884   4.439   6.486
  983    HB2  LYS  20           HB2      LYS  20   3.840   3.331   7.678
  984    HB3  LYS  20           HB1      LYS  20   3.885   2.217   6.320
  985    HG2  LYS  20           HG2      LYS  20   6.312   2.765   7.994
  986    HG3  LYS  20           HG1      LYS  20   5.118   1.547   8.443
  987    HD2  LYS  20           HD2      LYS  20   5.452   0.518   6.182
  988    HD3  LYS  20           HD1      LYS  20   6.792   1.640   5.939
  989    HE2  LYS  20           HE2      LYS  20   6.588  -0.332   8.209
  990    HE3  LYS  20           HE1      LYS  20   7.509  -0.595   6.729
  991    HZ1  LYS  20           HZ1      LYS  20   8.928   0.191   8.510
  992    HZ2  LYS  20           HZ2      LYS  20   7.976   1.577   8.701
  993    HZ3  LYS  20           HZ3      LYS  20   8.853   1.345   7.274
  994    H    LEU  21           HN       LEU  21   3.458   3.569   4.140
  995    HA   LEU  21           HA       LEU  21   5.111   1.909   2.552
  996    HB2  LEU  21           HB2      LEU  21   2.519   2.120   2.735
  997    HB3  LEU  21           HB1      LEU  21   2.692   3.404   1.565
  998    HG   LEU  21           HG       LEU  21   3.155   0.471   1.209
  999   HD11  LEU  21          HD11      LEU  21   1.686   1.085  -0.824
 1000   HD12  LEU  21          HD12      LEU  21   1.348   2.562   0.080
 1001   HD13  LEU  21          HD13      LEU  21   0.950   0.992   0.776
 1002   HD21  LEU  21          HD21      LEU  21   3.923   1.020  -1.103
 1003   HD22  LEU  21          HD22      LEU  21   5.077   1.432   0.164
 1004   HD23  LEU  21          HD23      LEU  21   4.106   2.696  -0.585
 1005    H    LYS  22           HN       LYS  22   4.311   5.343   2.382
 1006    HA   LYS  22           HA       LYS  22   5.400   5.909  -0.116
 1007    HB2  LYS  22           HB2      LYS  22   4.136   7.590   1.089
 1008    HB3  LYS  22           HB1      LYS  22   5.325   7.612   2.384
 1009    HG2  LYS  22           HG2      LYS  22   6.442   8.188  -0.255
 1010    HG3  LYS  22           HG1      LYS  22   5.237   9.355   0.291
 1011    HD2  LYS  22           HD2      LYS  22   7.380   8.497   2.178
 1012    HD3  LYS  22           HD1      LYS  22   7.775   9.650   0.903
 1013    HE2  LYS  22           HE2      LYS  22   7.116  10.720   3.044
 1014    HE3  LYS  22           HE1      LYS  22   6.095  11.177   1.683
 1015    HZ1  LYS  22           HZ1      LYS  22   4.444   9.590   2.426
 1016    HZ2  LYS  22           HZ2      LYS  22   4.792  10.696   3.657
 1017    HZ3  LYS  22           HZ3      LYS  22   5.427   9.129   3.723
 1018    H    GLU  23           HN       GLU  23   6.874   5.556   3.042
 1019    HA   GLU  23           HA       GLU  23   9.497   6.321   2.274
 1020    HB2  GLU  23           HB2      GLU  23   8.564   4.538   4.535
 1021    HB3  GLU  23           HB1      GLU  23  10.195   5.168   4.359
 1022    HG2  GLU  23           HG2      GLU  23   9.414   7.419   4.651
 1023    HG3  GLU  23           HG1      GLU  23   7.739   6.877   4.657
 1024    H    SER  24           HN       SER  24   7.927   3.113   2.519
 1025    HA   SER  24           HA       SER  24  10.191   1.680   1.790
 1026    HB2  SER  24           HB2      SER  24   8.684  -0.181   1.261
 1027    HB3  SER  24           HB1      SER  24   8.190   0.619   2.748
 1028    HG   SER  24           HG       SER  24   7.049   0.961   0.173
 1029    H    LEU  25           HN       LEU  25   7.579   2.905  -0.323
 1030    HA   LEU  25           HA       LEU  25   8.650   1.876  -2.755
 1031    HB2  LEU  25           HB2      LEU  25   6.644   3.953  -2.025
 1032    HB3  LEU  25           HB1      LEU  25   7.267   3.926  -3.662
 1033    HG   LEU  25           HG       LEU  25   6.012   1.508  -2.368
 1034   HD11  LEU  25          HD11      LEU  25   4.434   3.412  -2.431
 1035   HD12  LEU  25          HD12      LEU  25   3.957   2.075  -3.476
 1036   HD13  LEU  25          HD13      LEU  25   4.685   3.524  -4.173
 1037   HD21  LEU  25          HD21      LEU  25   5.840   0.661  -4.577
 1038   HD22  LEU  25          HD22      LEU  25   7.497   1.243  -4.388
 1039   HD23  LEU  25          HD23      LEU  25   6.316   2.208  -5.279
 1040    H    GLU  26           HN       GLU  26   8.998   5.030  -1.174
 1041    HA   GLU  26           HA       GLU  26  10.580   6.166  -3.242
 1042    HB2  GLU  26           HB2      GLU  26  10.096   6.909  -0.374
 1043    HB3  GLU  26           HB1      GLU  26  11.241   7.798  -1.371
 1044    HG2  GLU  26           HG2      GLU  26   9.300   8.031  -3.033
 1045    HG3  GLU  26           HG1      GLU  26   8.274   7.552  -1.683
 1046    H    LEU  27           HN       LEU  27  11.386   4.558  -0.190
 1047    HA   LEU  27           HA       LEU  27  14.211   4.886  -0.365
 1048    HB2  LEU  27           HB2      LEU  27  12.405   3.049   1.167
 1049    HB3  LEU  27           HB1      LEU  27  14.145   2.831   1.191
 1050    HG   LEU  27           HG       LEU  27  12.802   5.416   1.980
 1051   HD11  LEU  27          HD11      LEU  27  13.140   4.752   4.288
 1052   HD12  LEU  27          HD12      LEU  27  13.767   3.189   3.765
 1053   HD13  LEU  27          HD13      LEU  27  12.080   3.609   3.466
 1054   HD21  LEU  27          HD21      LEU  27  15.133   5.625   1.317
 1055   HD22  LEU  27          HD22      LEU  27  15.579   4.337   2.437
 1056   HD23  LEU  27          HD23      LEU  27  14.954   5.867   3.055
 1057    H    MET  28           HN       MET  28  12.035   2.431  -1.731
 1058    HA   MET  28           HA       MET  28  13.981   0.589  -2.267
 1059    HB2  MET  28           HB2      MET  28  11.511   0.287  -2.700
 1060    HB3  MET  28           HB1      MET  28  11.713   1.217  -4.179
 1061    HG2  MET  28           HG2      MET  28  13.542  -0.564  -4.698
 1062    HG3  MET  28           HG1      MET  28  12.662  -1.518  -3.516
 1063    HE1  MET  28           HE1      MET  28  10.656  -2.793  -3.909
 1064    HE2  MET  28           HE2      MET  28   9.458  -2.524  -5.176
 1065    HE3  MET  28           HE3      MET  28   9.661  -1.339  -3.889
 1066    H    GLU  29           HN       GLU  29  13.874   3.746  -3.506
 1067    HA   GLU  29           HA       GLU  29  15.339   3.105  -5.932
 1068    HB2  GLU  29           HB2      GLU  29  14.937   5.260  -6.609
 1069    HB3  GLU  29           HB1      GLU  29  13.540   4.964  -5.587
 1070    HG2  GLU  29           HG2      GLU  29  14.712   6.110  -3.731
 1071    HG3  GLU  29           HG1      GLU  29  16.025   6.488  -4.843
 1072    H    LEU  30           HN       LEU  30  16.018   4.071  -2.664
 1073    HA   LEU  30           HA       LEU  30  18.651   5.074  -3.374
 1074    HB2  LEU  30           HB2      LEU  30  18.600   6.209  -1.456
 1075    HB3  LEU  30           HB1      LEU  30  16.893   5.824  -1.456
 1076    HG   LEU  30           HG       LEU  30  18.984   4.205  -0.021
 1077   HD11  LEU  30          HD11      LEU  30  18.866   6.439   0.930
 1078   HD12  LEU  30          HD12      LEU  30  18.122   5.271   2.021
 1079   HD13  LEU  30          HD13      LEU  30  17.109   6.320   1.030
 1080   HD21  LEU  30          HD21      LEU  30  16.963   3.378   1.218
 1081   HD22  LEU  30          HD22      LEU  30  17.095   2.852  -0.460
 1082   HD23  LEU  30          HD23      LEU  30  15.985   4.153  -0.027
 1083    H    VAL  31           HN       VAL  31  17.438   2.121  -3.165
 1084    HA   VAL  31           HA       VAL  31  19.719   0.993  -1.703
 1085    HB   VAL  31           HB       VAL  31  17.650  -0.001  -1.012
 1086   HG11  VAL  31          HG11      VAL  31  16.287   0.581  -2.944
 1087   HG12  VAL  31          HG12      VAL  31  16.139  -1.134  -2.562
 1088   HG13  VAL  31          HG13      VAL  31  17.140  -0.616  -3.918
 1089   HG21  VAL  31          HG21      VAL  31  19.495  -1.650  -2.662
 1090   HG22  VAL  31          HG22      VAL  31  18.027  -2.399  -2.046
 1091   HG23  VAL  31          HG23      VAL  31  19.188  -1.690  -0.926
 1092    HA   PRO  32           HA       PRO  32  22.004   0.583  -5.490
 1093    HB2  PRO  32           HB2      PRO  32  22.822  -1.940  -4.079
 1094    HB3  PRO  32           HB1      PRO  32  23.823  -0.782  -4.964
 1095    HG2  PRO  32           HG2      PRO  32  23.706  -0.745  -2.293
 1096    HG3  PRO  32           HG1      PRO  32  23.819   0.752  -3.234
 1097    HD2  PRO  32           HD2      PRO  32  21.526  -0.356  -1.732
 1098    HD3  PRO  32           HD1      PRO  32  21.868   1.325  -2.193
 1099    H    GLN  33           HN       GLN  33  21.286  -0.208  -7.371
 1100    HA   GLN  33           HA       GLN  33  19.097  -1.801  -7.726
 1101    HB2  GLN  33           HB2      GLN  33  20.047  -0.441  -9.504
 1102    HB3  GLN  33           HB1      GLN  33  21.446  -1.501  -9.599
 1103    HG2  GLN  33           HG2      GLN  33  20.036  -3.331 -10.340
 1104    HG3  GLN  33           HG1      GLN  33  18.608  -2.307 -10.194
 1105   HE21  GLN  33          HE21      GLN  33  21.481  -2.985 -12.023
 1106   HE22  GLN  33          HE22      GLN  33  21.069  -2.039 -13.409
 1107    HA   PRO  34           HA       PRO  34  22.152  -5.650  -8.421
 1108    HB2  PRO  34           HB2      PRO  34  23.968  -4.935  -6.167
 1109    HB3  PRO  34           HB1      PRO  34  24.327  -5.777  -7.679
 1110    HG2  PRO  34           HG2      PRO  34  25.037  -3.241  -7.365
 1111    HG3  PRO  34           HG1      PRO  34  24.383  -3.807  -8.914
 1112    HD2  PRO  34           HD2      PRO  34  23.056  -2.213  -6.763
 1113    HD3  PRO  34           HD1      PRO  34  22.903  -2.076  -8.527
 1114    H    LEU  35           HN       LEU  35  21.368  -4.097  -5.355
 1115    HA   LEU  35           HA       LEU  35  21.079  -6.564  -3.904
 1116    HB2  LEU  35           HB2      LEU  35  20.813  -3.671  -3.339
 1117    HB3  LEU  35           HB1      LEU  35  19.792  -4.725  -2.386
 1118    HG   LEU  35           HG       LEU  35  22.676  -5.402  -2.569
 1119   HD11  LEU  35          HD11      LEU  35  22.753  -3.010  -2.186
 1120   HD12  LEU  35          HD12      LEU  35  23.181  -3.872  -0.708
 1121   HD13  LEU  35          HD13      LEU  35  21.577  -3.159  -0.880
 1122   HD21  LEU  35          HD21      LEU  35  22.283  -6.101  -0.252
 1123   HD22  LEU  35          HD22      LEU  35  21.135  -6.852  -1.360
 1124   HD23  LEU  35          HD23      LEU  35  20.628  -5.494  -0.353
 1125    H    VAL  36           HN       VAL  36  18.995  -4.369  -5.652
 1126    HA   VAL  36           HA       VAL  36  16.552  -5.496  -4.655
 1127    HB   VAL  36           HB       VAL  36  17.110  -3.759  -7.066
 1128   HG11  VAL  36          HG11      VAL  36  14.467  -4.768  -6.019
 1129   HG12  VAL  36          HG12      VAL  36  15.183  -5.103  -7.595
 1130   HG13  VAL  36          HG13      VAL  36  14.645  -3.471  -7.200
 1131   HG21  VAL  36          HG21      VAL  36  15.777  -3.177  -4.420
 1132   HG22  VAL  36          HG22      VAL  36  15.958  -2.035  -5.752
 1133   HG23  VAL  36          HG23      VAL  36  17.385  -2.647  -4.917
 1134    H    ASP  37           HN       ASP  37  18.573  -6.030  -7.500
 1135    HA   ASP  37           HA       ASP  37  16.868  -7.828  -8.815
 1136    HB2  ASP  37           HB2      ASP  37  19.890  -7.654  -8.791
 1137    HB3  ASP  37           HB1      ASP  37  18.971  -8.683  -9.886
 1138    H    SER  38           HN       SER  38  19.465  -8.383  -6.415
 1139    HA   SER  38           HA       SER  38  19.271 -11.163  -6.354
 1140    HB2  SER  38           HB2      SER  38  21.124  -9.940  -5.320
 1141    HB3  SER  38           HB1      SER  38  20.029  -9.284  -4.104
 1142    HG   SER  38           HG       SER  38  19.861 -11.983  -4.230
 1143    H    TYR  39           HN       TYR  39  17.540  -8.742  -4.393
 1144    HA   TYR  39           HA       TYR  39  16.165 -10.555  -2.747
 1145    HB2  TYR  39           HB2      TYR  39  16.066  -8.359  -1.985
 1146    HB3  TYR  39           HB1      TYR  39  15.689  -7.714  -3.581
 1147    HD1  TYR  39           HD1      TYR  39  14.282  -9.562  -0.701
 1148    HD2  TYR  39           HD2      TYR  39  13.441  -7.449  -4.294
 1149    HE1  TYR  39           HE1      TYR  39  11.894  -9.556  -0.134
 1150    HE2  TYR  39           HE2      TYR  39  11.059  -7.435  -3.741
 1151    HH   TYR  39           HH       TYR  39   9.875  -8.310  -0.655
 1152    H    ARG  40           HN       ARG  40  15.249  -9.037  -5.814
 1153    HA   ARG  40           HA       ARG  40  12.665 -10.041  -6.027
 1154    HB2  ARG  40           HB2      ARG  40  14.708  -9.311  -8.120
 1155    HB3  ARG  40           HB1      ARG  40  13.074  -9.816  -8.538
 1156    HG2  ARG  40           HG2      ARG  40  12.164  -7.950  -7.260
 1157    HG3  ARG  40           HG1      ARG  40  13.798  -7.450  -6.822
 1158    HD2  ARG  40           HD2      ARG  40  14.312  -7.144  -9.214
 1159    HD3  ARG  40           HD1      ARG  40  12.649  -7.574  -9.607
 1160    HE   ARG  40           HE       ARG  40  12.512  -5.484  -7.803
 1161   HH11  ARG  40          HH11      ARG  40  13.798  -6.030 -10.996
 1162   HH12  ARG  40          HH12      ARG  40  13.590  -4.386 -11.500
 1163   HH21  ARG  40          HH21      ARG  40  12.236  -3.318  -8.458
 1164   HH22  ARG  40          HH22      ARG  40  12.702  -2.845 -10.058
 1165    H    GLN  41           HN       GLN  41  15.750 -11.543  -6.751
 1166    HA   GLN  41           HA       GLN  41  14.703 -13.875  -8.016
 1167    HB2  GLN  41           HB2      GLN  41  17.054 -13.261  -8.264
 1168    HB3  GLN  41           HB1      GLN  41  17.305 -13.431  -6.532
 1169    HG2  GLN  41           HG2      GLN  41  16.871 -15.809  -6.675
 1170    HG3  GLN  41           HG1      GLN  41  16.530 -15.662  -8.398
 1171   HE21  GLN  41          HE21      GLN  41  18.230 -15.304  -9.833
 1172   HE22  GLN  41          HE22      GLN  41  19.877 -15.579  -9.390
 1173    H    GLN  42           HN       GLN  42  15.762 -13.186  -4.698
 1174    HA   GLN  42           HA       GLN  42  15.112 -15.673  -3.591
 1175    HB2  GLN  42           HB2      GLN  42  16.498 -14.102  -2.382
 1176    HB3  GLN  42           HB1      GLN  42  15.198 -12.919  -2.342
 1177    HG2  GLN  42           HG2      GLN  42  13.905 -14.334  -0.877
 1178    HG3  GLN  42           HG1      GLN  42  15.128 -15.600  -0.978
 1179   HE21  GLN  42          HE21      GLN  42  14.088 -14.166   1.344
 1180   HE22  GLN  42          HE22      GLN  42  15.457 -13.440   2.109
 1181    H    GLN  43           HN       GLN  43  13.177 -12.983  -4.534
 1182    HA   GLN  43           HA       GLN  43  10.846 -13.733  -3.023
 1183    HB2  GLN  43           HB2      GLN  43  11.249 -11.390  -3.606
 1184    HB3  GLN  43           HB1      GLN  43  11.191 -11.791  -5.317
 1185    HG2  GLN  43           HG2      GLN  43   8.843 -12.487  -5.042
 1186    HG3  GLN  43           HG1      GLN  43   8.919 -11.984  -3.354
 1187   HE21  GLN  43          HE21      GLN  43   8.853 -10.933  -6.662
 1188   HE22  GLN  43          HE22      GLN  43   8.526  -9.267  -6.340
 1189    H    GLN  44           HN       GLN  44  11.997 -14.065  -6.346
 1190    HA   GLN  44           HA       GLN  44   9.671 -15.157  -7.468
 1191    HB2  GLN  44           HB2      GLN  44  12.586 -15.442  -8.182
 1192    HB3  GLN  44           HB1      GLN  44  11.317 -16.219  -9.117
 1193    HG2  GLN  44           HG2      GLN  44  11.525 -13.259  -8.620
 1194    HG3  GLN  44           HG1      GLN  44  12.067 -14.084 -10.080
 1195   HE21  GLN  44          HE21      GLN  44   9.319 -13.058  -8.214
 1196   HE22  GLN  44          HE22      GLN  44   8.134 -13.299  -9.448
 1197    H    LEU  45           HN       LEU  45  12.055 -16.467  -5.358
 1198    HA   LEU  45           HA       LEU  45  11.852 -19.195  -5.843
 1199    HB2  LEU  45           HB2      LEU  45  13.488 -18.351  -4.305
 1200    HB3  LEU  45           HB1      LEU  45  12.246 -17.679  -3.266
 1201    HG   LEU  45           HG       LEU  45  11.514 -20.240  -3.132
 1202   HD11  LEU  45          HD11      LEU  45  13.500 -21.672  -3.018
 1203   HD12  LEU  45          HD12      LEU  45  14.482 -20.344  -3.636
 1204   HD13  LEU  45          HD13      LEU  45  13.221 -21.052  -4.645
 1205   HD21  LEU  45          HD21      LEU  45  13.715 -18.921  -1.552
 1206   HD22  LEU  45          HD22      LEU  45  12.877 -20.395  -1.066
 1207   HD23  LEU  45          HD23      LEU  45  11.984 -18.880  -1.210
 1208    H    LEU  46           HN       LEU  46   9.912 -17.184  -3.642
 1209    HA   LEU  46           HA       LEU  46   7.751 -19.161  -3.851
 1210    HB2  LEU  46           HB2      LEU  46   8.594 -17.781  -1.301
 1211    HB3  LEU  46           HB1      LEU  46   7.253 -18.898  -1.477
 1212    HG   LEU  46           HG       LEU  46  10.127 -19.653  -1.966
 1213   HD11  LEU  46          HD11      LEU  46   9.896 -19.039   0.354
 1214   HD12  LEU  46          HD12      LEU  46   9.995 -20.794   0.219
 1215   HD13  LEU  46          HD13      LEU  46   8.436 -20.019   0.501
 1216   HD21  LEU  46          HD21      LEU  46   7.619 -21.291  -1.625
 1217   HD22  LEU  46          HD22      LEU  46   9.251 -21.944  -1.770
 1218   HD23  LEU  46          HD23      LEU  46   8.530 -21.065  -3.118
 1219    H    GLN  47           HN       GLN  47   6.692 -17.804  -5.321
 1220    HA   GLN  47           HA       GLN  47   6.001 -15.101  -4.531
 1221    HB2  GLN  47           HB2      GLN  47   6.439 -16.153  -6.950
 1222    HB3  GLN  47           HB1      GLN  47   4.705 -16.426  -6.864
 1223    HG2  GLN  47           HG2      GLN  47   5.954 -13.739  -6.381
 1224    HG3  GLN  47           HG1      GLN  47   5.459 -14.295  -7.979
 1225   HE21  GLN  47          HE21      GLN  47   4.394 -13.269  -4.837
 1226   HE22  GLN  47          HE22      GLN  47   2.731 -13.046  -5.249
 1227    H    ARG  48           HN       ARG  48   5.115 -17.102  -2.759
 1228    HA   ARG  48           HA       ARG  48   2.288 -16.510  -2.748
 1229    HB2  ARG  48           HB2      ARG  48   1.756 -18.972  -2.305
 1230    HB3  ARG  48           HB1      ARG  48   2.085 -18.507  -3.967
 1231    HG2  ARG  48           HG2      ARG  48   4.356 -19.358  -3.765
 1232    HG3  ARG  48           HG1      ARG  48   4.041 -19.807  -2.089
 1233    HD2  ARG  48           HD2      ARG  48   3.853 -21.728  -3.602
 1234    HD3  ARG  48           HD1      ARG  48   2.324 -21.366  -2.802
 1235    HE   ARG  48           HE       ARG  48   2.317 -20.026  -5.235
 1236   HH11  ARG  48          HH11      ARG  48   2.401 -23.315  -4.084
 1237   HH12  ARG  48          HH12      ARG  48   1.585 -23.956  -5.470
 1238   HH21  ARG  48          HH21      ARG  48   1.241 -20.863  -7.063
 1239   HH22  ARG  48          HH22      ARG  48   0.926 -22.563  -7.163
 1240    H    ASP   1           HT1      ASP   1  -6.502  15.848  15.079
 1241    HA   ASP   1           HA       ASP   1  -4.242  15.517  14.363
 1242    HB2  ASP   1           HB2      ASP   1  -4.140  13.481  16.602
 1243    HB3  ASP   1           HB1      ASP   1  -2.872  13.763  15.414
 1244    H    GLU   2           HN       GLU   2  -6.101  14.987  12.889
 1245    HA   GLU   2           HA       GLU   2  -5.752  12.376  11.834
 1246    HB2  GLU   2           HB2      GLU   2  -7.952  11.448  12.201
 1247    HB3  GLU   2           HB1      GLU   2  -7.252  11.862  13.756
 1248    HG2  GLU   2           HG2      GLU   2  -8.571  13.950  13.757
 1249    HG3  GLU   2           HG1      GLU   2  -9.332  13.432  12.253
 1250    H    ASP   3           HN       ASP   3  -8.471  12.347  10.643
 1251    HA   ASP   3           HA       ASP   3  -9.619  13.165   8.883
 1252    HB2  ASP   3           HB2      ASP   3  -9.303  15.370  10.327
 1253    HB3  ASP   3           HB1      ASP   3  -8.284  15.824   8.964
 1254    H    THR   4           HN       THR   4  -8.713  15.110   6.919
 1255    HA   THR   4           HA       THR   4  -7.106  13.337   5.385
 1256    HB   THR   4           HB       THR   4  -7.272  16.032   4.325
 1257    HG1  THR   4           HG1      THR   4  -9.509  16.079   4.136
 1258   HG21  THR   4          HG21      THR   4  -8.223  13.324   3.398
 1259   HG22  THR   4          HG22      THR   4  -6.711  14.120   2.950
 1260   HG23  THR   4          HG23      THR   4  -8.252  14.791   2.415
 1261    H    TYR   5           HN       TYR   5  -5.106  13.472   4.719
 1262    HA   TYR   5           HA       TYR   5  -3.307  15.360   6.083
 1263    HB2  TYR   5           HB2      TYR   5  -3.113  12.403   5.712
 1264    HB3  TYR   5           HB1      TYR   5  -1.685  13.396   5.993
 1265    HD1  TYR   5           HD2      TYR   5  -1.515  14.721   8.101
 1266    HD2  TYR   5           HD1      TYR   5  -4.566  11.825   7.482
 1267    HE1  TYR   5           HE2      TYR   5  -1.928  14.651  10.520
 1268    HE2  TYR   5           HE1      TYR   5  -4.994  11.743   9.897
 1269    HH   TYR   5           HH       TYR   5  -4.112  12.327  11.950
 1270    H    TYR   6           HN       TYR   6  -1.185  15.602   4.818
 1271    HA   TYR   6           HA       TYR   6  -1.606  14.914   1.996
 1272    HB2  TYR   6           HB2      TYR   6   0.262  17.075   2.995
 1273    HB3  TYR   6           HB1      TYR   6  -0.338  16.840   1.359
 1274    HD1  TYR   6           HD2      TYR   6  -3.239  16.379   2.002
 1275    HD2  TYR   6           HD1      TYR   6  -0.484  19.283   3.439
 1276    HE1  TYR   6           HE2      TYR   6  -5.104  17.906   2.445
 1277    HE2  TYR   6           HE1      TYR   6  -2.346  20.826   3.895
 1278    HH   TYR   6           HH       TYR   6  -5.595  19.844   3.880
 1279    H    LEU   7           HN       LEU   7  -0.315  13.562   1.057
 1280    HA   LEU   7           HA       LEU   7   2.071  12.593   2.506
 1281    HB2  LEU   7           HB2      LEU   7  -0.209  11.307   1.672
 1282    HB3  LEU   7           HB1      LEU   7   0.891  11.000   0.358
 1283    HG   LEU   7           HG       LEU   7   2.119   9.524   1.547
 1284   HD11  LEU   7          HD11      LEU   7   1.835  11.402   3.730
 1285   HD12  LEU   7          HD12      LEU   7   3.149  10.298   3.345
 1286   HD13  LEU   7          HD13      LEU   7   1.747   9.717   4.244
 1287   HD21  LEU   7          HD21      LEU   7  -0.203   8.791   1.488
 1288   HD22  LEU   7          HD22      LEU   7  -0.457   9.508   3.081
 1289   HD23  LEU   7          HD23      LEU   7   0.661   8.155   2.890
 1290    H    GLN   8           HN       GLN   8   3.829  13.617   1.568
 1291    HA   GLN   8           HA       GLN   8   3.857  14.093  -1.223
 1292    HB2  GLN   8           HB2      GLN   8   5.099  15.221   0.877
 1293    HB3  GLN   8           HB1      GLN   8   6.383  14.175   0.304
 1294    HG2  GLN   8           HG2      GLN   8   5.842  15.249  -2.001
 1295    HG3  GLN   8           HG1      GLN   8   5.132  16.520  -1.003
 1296   HE21  GLN   8          HE21      GLN   8   6.611  18.077  -1.391
 1297   HE22  GLN   8          HE22      GLN   8   8.265  17.985  -0.901
 1298    H    VAL   9           HN       VAL   9   4.149  12.612  -2.687
 1299    HA   VAL   9           HA       VAL   9   5.963  10.417  -2.045
 1300    HB   VAL   9           HB       VAL   9   3.359  10.372  -3.546
 1301   HG11  VAL   9          HG11      VAL   9   5.589   8.373  -3.764
 1302   HG12  VAL   9          HG12      VAL   9   4.779   9.251  -5.062
 1303   HG13  VAL   9          HG13      VAL   9   3.912   8.003  -4.167
 1304   HG21  VAL   9          HG21      VAL   9   2.759   8.644  -2.037
 1305   HG22  VAL   9          HG22      VAL   9   3.487   9.937  -1.084
 1306   HG23  VAL   9          HG23      VAL   9   4.417   8.487  -1.459
 1307    H    ARG  10           HN       ARG  10   7.657  10.094  -3.401
 1308    HA   ARG  10           HA       ARG  10   7.764  11.847  -5.756
 1309    HB2  ARG  10           HB2      ARG  10   9.565  11.833  -3.855
 1310    HB3  ARG  10           HB1      ARG  10  10.142  10.376  -4.651
 1311    HG2  ARG  10           HG2      ARG  10   9.738  12.909  -6.193
 1312    HG3  ARG  10           HG1      ARG  10  11.210  12.633  -5.260
 1313    HD2  ARG  10           HD2      ARG  10  11.543  10.517  -6.512
 1314    HD3  ARG  10           HD1      ARG  10  10.138  10.917  -7.497
 1315    HE   ARG  10           HE       ARG  10  12.077  13.006  -7.508
 1316   HH11  ARG  10          HH11      ARG  10  11.292   9.904  -8.888
 1317   HH12  ARG  10          HH12      ARG  10  12.188  10.182 -10.344
 1318   HH21  ARG  10          HH21      ARG  10  13.261  13.378  -9.420
 1319   HH22  ARG  10          HH22      ARG  10  13.308  12.155 -10.646
 1320    H    GLY  11           HN       GLY  11   8.048  11.115  -7.749
 1321    HA2  GLY  11           HA2      GLY  11   8.538   9.528  -9.425
 1322    HA3  GLY  11           HA1      GLY  11   8.594   8.273  -8.192
 1323    H    ARG  12           HN       ARG  12   6.963   9.173 -10.803
 1324    HA   ARG  12           HA       ARG  12   4.271   9.185 -10.190
 1325    HB2  ARG  12           HB2      ARG  12   5.541   9.444 -12.467
 1326    HB3  ARG  12           HB1      ARG  12   5.226   7.719 -12.615
 1327    HG2  ARG  12           HG2      ARG  12   3.468   8.833 -13.731
 1328    HG3  ARG  12           HG1      ARG  12   2.804   8.232 -12.211
 1329    HD2  ARG  12           HD2      ARG  12   3.346  10.535 -11.261
 1330    HD3  ARG  12           HD1      ARG  12   3.567  11.043 -12.935
 1331    HE   ARG  12           HE       ARG  12   1.034   9.856 -12.012
 1332   HH11  ARG  12          HH11      ARG  12   2.815  12.407 -13.585
 1333   HH12  ARG  12          HH12      ARG  12   1.395  13.250 -14.106
 1334   HH21  ARG  12          HH21      ARG  12  -0.838  10.961 -12.693
 1335   HH22  ARG  12          HH22      ARG  12  -0.681  12.429 -13.598
 1336    H    GLU  13           HN       GLU  13   6.236   6.256 -10.854
 1337    HA   GLU  13           HA       GLU  13   4.191   4.422 -10.727
 1338    HB2  GLU  13           HB2      GLU  13   6.513   3.888 -11.363
 1339    HB3  GLU  13           HB1      GLU  13   7.005   4.054  -9.683
 1340    HG2  GLU  13           HG2      GLU  13   5.697   2.157  -9.044
 1341    HG3  GLU  13           HG1      GLU  13   4.985   2.049 -10.654
 1342    H    ASN  14           HN       ASN  14   6.080   5.723  -8.022
 1343    HA   ASN  14           HA       ASN  14   4.878   4.178  -5.973
 1344    HB2  ASN  14           HB2      ASN  14   7.025   5.319  -5.676
 1345    HB3  ASN  14           HB1      ASN  14   6.246   6.881  -5.888
 1346   HD21  ASN  14          HD21      ASN  14   7.773   6.355  -3.694
 1347   HD22  ASN  14          HD22      ASN  14   6.772   6.269  -2.289
 1348    H    PHE  15           HN       PHE  15   4.286   7.447  -7.190
 1349    HA   PHE  15           HA       PHE  15   2.277   8.221  -5.439
 1350    HB2  PHE  15           HB2      PHE  15   3.453   9.706  -7.049
 1351    HB3  PHE  15           HB1      PHE  15   2.527   8.978  -8.357
 1352    HD1  PHE  15           HD2      PHE  15   1.425  10.048  -4.954
 1353    HD2  PHE  15           HD1      PHE  15   1.175  10.666  -9.166
 1354    HE1  PHE  15           HE2      PHE  15  -0.347  11.693  -4.603
 1355    HE2  PHE  15           HE1      PHE  15  -0.629  12.311  -8.806
 1356    HZ   PHE  15           HZ       PHE  15  -1.386  12.820  -6.515
 1357    H    GLU  16           HN       GLU  16   1.986   6.540  -8.557
 1358    HA   GLU  16           HA       GLU  16  -0.842   6.384  -8.630
 1359    HB2  GLU  16           HB2      GLU  16   1.249   4.597  -9.877
 1360    HB3  GLU  16           HB1      GLU  16  -0.464   4.570 -10.271
 1361    HG2  GLU  16           HG2      GLU  16   1.402   6.897 -10.672
 1362    HG3  GLU  16           HG1      GLU  16   0.814   5.808 -11.927
 1363    H    ILE  17           HN       ILE  17   1.540   4.015  -7.382
 1364    HA   ILE  17           HA       ILE  17  -0.410   2.073  -6.762
 1365    HB   ILE  17           HB       ILE  17   2.417   2.492  -6.090
 1366   HG12  ILE  17          HG12      ILE  17   0.982  -0.112  -6.481
 1367   HG13  ILE  17          HG11      ILE  17   1.253   0.958  -7.849
 1368   HG21  ILE  17          HG21      ILE  17   2.456   0.859  -4.282
 1369   HG22  ILE  17          HG22      ILE  17   0.694   0.762  -4.318
 1370   HG23  ILE  17          HG23      ILE  17   1.487   2.263  -3.828
 1371   HD11  ILE  17          HD11      ILE  17   3.628   0.803  -7.552
 1372   HD12  ILE  17          HD12      ILE  17   2.940  -0.825  -7.609
 1373   HD13  ILE  17          HD13      ILE  17   3.419  -0.120  -6.062
 1374    H    LEU  18           HN       LEU  18   0.911   4.789  -4.851
 1375    HA   LEU  18           HA       LEU  18  -0.534   4.063  -2.480
 1376    HB2  LEU  18           HB2      LEU  18   1.441   6.018  -3.287
 1377    HB3  LEU  18           HB1      LEU  18   0.156   6.753  -2.357
 1378    HG   LEU  18           HG       LEU  18   0.556   4.979  -0.600
 1379   HD11  LEU  18          HD11      LEU  18   2.808   3.972  -0.632
 1380   HD12  LEU  18          HD12      LEU  18   2.996   4.539  -2.292
 1381   HD13  LEU  18          HD13      LEU  18   1.742   3.362  -1.899
 1382   HD21  LEU  18          HD21      LEU  18   2.835   6.853  -1.202
 1383   HD22  LEU  18          HD22      LEU  18   2.457   6.136   0.363
 1384   HD23  LEU  18          HD23      LEU  18   1.343   7.293  -0.370
 1385    H    MET  19           HN       MET  19  -0.999   6.293  -5.192
 1386    HA   MET  19           HA       MET  19  -3.182   7.692  -4.097
 1387    HB2  MET  19           HB2      MET  19  -1.724   8.008  -6.364
 1388    HB3  MET  19           HB1      MET  19  -3.151   7.258  -7.050
 1389    HG2  MET  19           HG2      MET  19  -3.062   9.811  -5.471
 1390    HG3  MET  19           HG1      MET  19  -3.261   9.657  -7.209
 1391    HE1  MET  19           HE1      MET  19  -5.449  11.343  -6.831
 1392    HE2  MET  19           HE2      MET  19  -4.989  11.292  -5.127
 1393    HE3  MET  19           HE3      MET  19  -6.661  10.976  -5.602
 1394    H    LYS  20           HN       LYS  20  -3.128   4.933  -6.321
 1395    HA   LYS  20           HA       LYS  20  -5.875   4.451  -6.484
 1396    HB2  LYS  20           HB2      LYS  20  -3.834   3.340  -7.676
 1397    HB3  LYS  20           HB1      LYS  20  -3.879   2.226  -6.317
 1398    HG2  LYS  20           HG2      LYS  20  -6.306   2.778  -7.991
 1399    HG3  LYS  20           HG1      LYS  20  -5.114   1.557  -8.440
 1400    HD2  LYS  20           HD2      LYS  20  -5.452   0.528  -6.179
 1401    HD3  LYS  20           HD1      LYS  20  -6.788   1.654  -5.937
 1402    HE2  LYS  20           HE2      LYS  20  -6.588  -0.318  -8.207
 1403    HE3  LYS  20           HE1      LYS  20  -7.510  -0.580  -6.728
 1404    HZ1  LYS  20           HZ1      LYS  20  -8.927   0.210  -8.509
 1405    HZ2  LYS  20           HZ2      LYS  20  -7.972   1.593  -8.700
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.851   1.364  -7.273
 1407    H    LEU  21           HN       LEU  21  -3.453   3.576  -4.137
 1408    HA   LEU  21           HA       LEU  21  -5.109   1.919  -2.549
 1409    HB2  LEU  21           HB2      LEU  21  -2.516   2.126  -2.732
 1410    HB3  LEU  21           HB1      LEU  21  -2.688   3.410  -1.561
 1411    HG   LEU  21           HG       LEU  21  -3.155   0.477  -1.207
 1412   HD11  LEU  21          HD11      LEU  21  -1.687   1.089   0.827
 1413   HD12  LEU  21          HD12      LEU  21  -1.345   2.565  -0.077
 1414   HD13  LEU  21          HD13      LEU  21  -0.950   0.994  -0.772
 1415   HD21  LEU  21          HD21      LEU  21  -3.923   1.027   1.105
 1416   HD22  LEU  21          HD22      LEU  21  -5.076   1.441  -0.162
 1417   HD23  LEU  21          HD23      LEU  21  -4.102   2.704   0.588
 1418    H    LYS  22           HN       LYS  22  -4.302   5.351  -2.378
 1419    HA   LYS  22           HA       LYS  22  -5.391   5.918   0.119
 1420    HB2  LYS  22           HB2      LYS  22  -4.124   7.598  -1.085
 1421    HB3  LYS  22           HB1      LYS  22  -5.312   7.622  -2.381
 1422    HG2  LYS  22           HG2      LYS  22  -6.429   8.199   0.258
 1423    HG3  LYS  22           HG1      LYS  22  -5.222   9.364  -0.286
 1424    HD2  LYS  22           HD2      LYS  22  -7.366   8.512  -2.175
 1425    HD3  LYS  22           HD1      LYS  22  -7.760   9.665  -0.899
 1426    HE2  LYS  22           HE2      LYS  22  -7.098  10.735  -3.039
 1427    HE3  LYS  22           HE1      LYS  22  -6.075  11.189  -1.678
 1428    HZ1  LYS  22           HZ1      LYS  22  -4.427   9.600  -2.422
 1429    HZ2  LYS  22           HZ2      LYS  22  -4.774  10.705  -3.653
 1430    HZ3  LYS  22           HZ3      LYS  22  -5.411   9.140  -3.718
 1431    H    GLU  23           HN       GLU  23  -6.866   5.570  -3.040
 1432    HA   GLU  23           HA       GLU  23  -9.488   6.339  -2.273
 1433    HB2  GLU  23           HB2      GLU  23  -8.557   4.554  -4.533
 1434    HB3  GLU  23           HB1      GLU  23 -10.187   5.188  -4.358
 1435    HG2  GLU  23           HG2      GLU  23  -9.400   7.437  -4.650
 1436    HG3  GLU  23           HG1      GLU  23  -7.727   6.892  -4.656
 1437    H    SER  24           HN       SER  24  -7.922   3.129  -2.518
 1438    HA   SER  24           HA       SER  24 -10.189   1.699  -1.790
 1439    HB2  SER  24           HB2      SER  24  -8.686  -0.164  -1.259
 1440    HB3  SER  24           HB1      SER  24  -8.189   0.634  -2.746
 1441    HG   SER  24           HG       SER  24  -7.049   0.972  -0.171
 1442    H    LEU  25           HN       LEU  25  -7.576   2.919   0.325
 1443    HA   LEU  25           HA       LEU  25  -8.649   1.891   2.756
 1444    HB2  LEU  25           HB2      LEU  25  -6.638   3.964   2.027
 1445    HB3  LEU  25           HB1      LEU  25  -7.262   3.938   3.664
 1446    HG   LEU  25           HG       LEU  25  -6.011   1.518   2.372
 1447   HD11  LEU  25          HD11      LEU  25  -4.431   3.420   2.435
 1448   HD12  LEU  25          HD12      LEU  25  -3.955   2.082   3.480
 1449   HD13  LEU  25          HD13      LEU  25  -4.682   3.532   4.176
 1450   HD21  LEU  25          HD21      LEU  25  -5.841   0.672   4.580
 1451   HD22  LEU  25          HD22      LEU  25  -7.497   1.256   4.391
 1452   HD23  LEU  25          HD23      LEU  25  -6.315   2.220   5.283
 1453    H    GLU  26           HN       GLU  26  -8.991   5.046   1.175
 1454    HA   GLU  26           HA       GLU  26 -10.572   6.185   3.242
 1455    HB2  GLU  26           HB2      GLU  26 -10.084   6.926   0.375
 1456    HB3  GLU  26           HB1      GLU  26 -11.228   7.818   1.371
 1457    HG2  GLU  26           HG2      GLU  26  -9.287   8.047   3.036
 1458    HG3  GLU  26           HG1      GLU  26  -8.262   7.566   1.685
 1459    H    LEU  27           HN       LEU  27 -11.379   4.579   0.190
 1460    HA   LEU  27           HA       LEU  27 -14.204   4.913   0.364
 1461    HB2  LEU  27           HB2      LEU  27 -12.400   3.073  -1.166
 1462    HB3  LEU  27           HB1      LEU  27 -14.140   2.856  -1.190
 1463    HG   LEU  27           HG       LEU  27 -12.793   5.439  -1.981
 1464   HD11  LEU  27          HD11      LEU  27 -13.131   4.774  -4.289
 1465   HD12  LEU  27          HD12      LEU  27 -13.761   3.212  -3.765
 1466   HD13  LEU  27          HD13      LEU  27 -12.074   3.630  -3.466
 1467   HD21  LEU  27          HD21      LEU  27 -15.123   5.651  -1.317
 1468   HD22  LEU  27          HD22      LEU  27 -15.572   4.365  -2.438
 1469   HD23  LEU  27          HD23      LEU  27 -14.943   5.894  -3.055
 1470    H    MET  28           HN       MET  28 -12.033   2.453   1.731
 1471    HA   MET  28           HA       MET  28 -13.983   0.614   2.267
 1472    HB2  MET  28           HB2      MET  28 -11.513   0.308   2.699
 1473    HB3  MET  28           HB1      MET  28 -11.712   1.238   4.179
 1474    HG2  MET  28           HG2      MET  28 -13.545  -0.540   4.697
 1475    HG3  MET  28           HG1      MET  28 -12.667  -1.497   3.516
 1476    HE1  MET  28           HE1      MET  28 -10.663  -2.775   3.909
 1477    HE2  MET  28           HE2      MET  28  -9.464  -2.507   5.176
 1478    HE3  MET  28           HE3      MET  28  -9.667  -1.322   3.889
 1479    H    GLU  29           HN       GLU  29 -13.870   3.770   3.506
 1480    HA   GLU  29           HA       GLU  29 -15.337   3.132   5.932
 1481    HB2  GLU  29           HB2      GLU  29 -14.932   5.286   6.610
 1482    HB3  GLU  29           HB1      GLU  29 -13.534   4.988   5.588
 1483    HG2  GLU  29           HG2      GLU  29 -14.705   6.136   3.732
 1484    HG3  GLU  29           HG1      GLU  29 -16.017   6.516   4.845
 1485    H    LEU  30           HN       LEU  30 -16.014   4.097   2.663
 1486    HA   LEU  30           HA       LEU  30 -18.645   5.106   3.373
 1487    HB2  LEU  30           HB2      LEU  30 -18.592   6.241   1.456
 1488    HB3  LEU  30           HB1      LEU  30 -16.886   5.855   1.456
 1489    HG   LEU  30           HG       LEU  30 -18.978   4.240   0.019
 1490   HD11  LEU  30          HD11      LEU  30 -18.853   6.475  -0.929
 1491   HD12  LEU  30          HD12      LEU  30 -18.112   5.306  -2.022
 1492   HD13  LEU  30          HD13      LEU  30 -17.097   6.351  -1.028
 1493   HD21  LEU  30          HD21      LEU  30 -16.959   3.408  -1.219
 1494   HD22  LEU  30          HD22      LEU  30 -17.092   2.882   0.458
 1495   HD23  LEU  30          HD23      LEU  30 -15.980   4.180   0.025
 1496    H    VAL  31           HN       VAL  31 -17.436   2.151   3.163
 1497    HA   VAL  31           HA       VAL  31 -19.719   1.028   1.701
 1498    HB   VAL  31           HB       VAL  31 -17.652   0.031   1.010
 1499   HG11  VAL  31          HG11      VAL  31 -16.288   0.609   2.943
 1500   HG12  VAL  31          HG12      VAL  31 -16.143  -1.106   2.561
 1501   HG13  VAL  31          HG13      VAL  31 -17.144  -0.586   3.917
 1502   HG21  VAL  31          HG21      VAL  31 -19.500  -1.615   2.660
 1503   HG22  VAL  31          HG22      VAL  31 -18.034  -2.367   2.044
 1504   HG23  VAL  31          HG23      VAL  31 -19.194  -1.654   0.924
 1505    HA   PRO  32           HA       PRO  32 -22.005   0.621   5.487
 1506    HB2  PRO  32           HB2      PRO  32 -22.829  -1.899   4.076
 1507    HB3  PRO  32           HB1      PRO  32 -23.827  -0.738   4.961
 1508    HG2  PRO  32           HG2      PRO  32 -23.708  -0.702   2.289
 1509    HG3  PRO  32           HG1      PRO  32 -23.820   0.795   3.230
 1510    HD2  PRO  32           HD2      PRO  32 -21.528  -0.315   1.729
 1511    HD3  PRO  32           HD1      PRO  32 -21.868   1.365   2.192
 1512    H    GLN  33           HN       GLN  33 -21.290  -0.172   7.368
 1513    HA   GLN  33           HA       GLN  33 -19.104  -1.768   7.725
 1514    HB2  GLN  33           HB2      GLN  33 -20.054  -0.407   9.502
 1515    HB3  GLN  33           HB1      GLN  33 -21.454  -1.466   9.596
 1516    HG2  GLN  33           HG2      GLN  33 -20.046  -3.298  10.336
 1517    HG3  GLN  33           HG1      GLN  33 -18.617  -2.275  10.191
 1518   HE21  GLN  33          HE21      GLN  33 -21.492  -2.949  12.020
 1519   HE22  GLN  33          HE22      GLN  33 -21.079  -2.003  13.405
 1520    HA   PRO  34           HA       PRO  34 -22.165  -5.611   8.417
 1521    HB2  PRO  34           HB2      PRO  34 -23.981  -4.892   6.163
 1522    HB3  PRO  34           HB1      PRO  34 -24.341  -5.734   7.674
 1523    HG2  PRO  34           HG2      PRO  34 -25.047  -3.197   7.361
 1524    HG3  PRO  34           HG1      PRO  34 -24.393  -3.764   8.911
 1525    HD2  PRO  34           HD2      PRO  34 -23.064  -2.172   6.759
 1526    HD3  PRO  34           HD1      PRO  34 -22.910  -2.036   8.523
 1527    H    LEU  35           HN       LEU  35 -21.379  -4.058   5.351
 1528    HA   LEU  35           HA       LEU  35 -21.093  -6.526   3.900
 1529    HB2  LEU  35           HB2      LEU  35 -20.821  -3.634   3.336
 1530    HB3  LEU  35           HB1      LEU  35 -19.803  -4.690   2.382
 1531    HG   LEU  35           HG       LEU  35 -22.688  -5.361   2.566
 1532   HD11  LEU  35          HD11      LEU  35 -22.761  -2.969   2.183
 1533   HD12  LEU  35          HD12      LEU  35 -23.190  -3.830   0.705
 1534   HD13  LEU  35          HD13      LEU  35 -21.585  -3.120   0.878
 1535   HD21  LEU  35          HD21      LEU  35 -22.297  -6.060   0.249
 1536   HD22  LEU  35          HD22      LEU  35 -21.150  -6.814   1.357
 1537   HD23  LEU  35          HD23      LEU  35 -20.641  -5.457   0.349
 1538    H    VAL  36           HN       VAL  36 -19.005  -4.335   5.649
 1539    HA   VAL  36           HA       VAL  36 -16.565  -5.468   4.653
 1540    HB   VAL  36           HB       VAL  36 -17.121  -3.729   7.063
 1541   HG11  VAL  36          HG11      VAL  36 -14.478  -4.742   6.017
 1542   HG12  VAL  36          HG12      VAL  36 -15.196  -5.076   7.594
 1543   HG13  VAL  36          HG13      VAL  36 -14.656  -3.444   7.198
 1544   HG21  VAL  36          HG21      VAL  36 -15.786  -3.150   4.418
 1545   HG22  VAL  36          HG22      VAL  36 -15.965  -2.007   5.750
 1546   HG23  VAL  36          HG23      VAL  36 -17.393  -2.617   4.914
 1547    H    ASP  37           HN       ASP  37 -18.588  -5.997   7.497
 1548    HA   ASP  37           HA       ASP  37 -16.886  -7.798   8.813
 1549    HB2  ASP  37           HB2      ASP  37 -19.908  -7.620   8.788
 1550    HB3  ASP  37           HB1      ASP  37 -18.992  -8.650   9.884
 1551    H    SER  38           HN       SER  38 -19.484  -8.349   6.411
 1552    HA   SER  38           HA       SER  38 -19.296 -11.128   6.350
 1553    HB2  SER  38           HB2      SER  38 -21.146  -9.902   5.315
 1554    HB3  SER  38           HB1      SER  38 -20.049  -9.248   4.100
 1555    HG   SER  38           HG       SER  38 -19.887 -11.947   4.224
 1556    H    TYR  39           HN       TYR  39 -17.559  -8.712   4.390
 1557    HA   TYR  39           HA       TYR  39 -16.186 -10.527   2.744
 1558    HB2  TYR  39           HB2      TYR  39 -16.083  -8.331   1.983
 1559    HB3  TYR  39           HB1      TYR  39 -15.706  -7.687   3.579
 1560    HD1  TYR  39           HD1      TYR  39 -14.301  -9.535   0.698
 1561    HD2  TYR  39           HD2      TYR  39 -13.456  -7.425   4.292
 1562    HE1  TYR  39           HE1      TYR  39 -11.913  -9.534   0.132
 1563    HE2  TYR  39           HE2      TYR  39 -11.074  -7.416   3.739
 1564    HH   TYR  39           HH       TYR  39  -9.893  -8.293   0.654
 1565    H    ARG  40           HN       ARG  40 -15.269  -9.010   5.811
 1566    HA   ARG  40           HA       ARG  40 -12.687 -10.019   6.025
 1567    HB2  ARG  40           HB2      ARG  40 -14.728  -9.286   8.118
 1568    HB3  ARG  40           HB1      ARG  40 -13.095  -9.793   8.535
 1569    HG2  ARG  40           HG2      ARG  40 -12.182  -7.928   7.258
 1570    HG3  ARG  40           HG1      ARG  40 -13.816  -7.426   6.820
 1571    HD2  ARG  40           HD2      ARG  40 -14.330  -7.119   9.212
 1572    HD3  ARG  40           HD1      ARG  40 -12.667  -7.553   9.606
 1573    HE   ARG  40           HE       ARG  40 -12.525  -5.463   7.802
 1574   HH11  ARG  40          HH11      ARG  40 -13.813  -6.007  10.994
 1575   HH12  ARG  40          HH12      ARG  40 -13.602  -4.364  11.499
 1576   HH21  ARG  40          HH21      ARG  40 -12.245  -3.297   8.458
 1577   HH22  ARG  40          HH22      ARG  40 -12.712  -2.823  10.057
 1578    H    GLN  41           HN       GLN  41 -15.775 -11.516   6.748
 1579    HA   GLN  41           HA       GLN  41 -14.732 -13.850   8.013
 1580    HB2  GLN  41           HB2      GLN  41 -17.083 -13.232   8.261
 1581    HB3  GLN  41           HB1      GLN  41 -17.333 -13.402   6.529
 1582    HG2  GLN  41           HG2      GLN  41 -16.903 -15.780   6.671
 1583    HG3  GLN  41           HG1      GLN  41 -16.563 -15.635   8.395
 1584   HE21  GLN  41          HE21      GLN  41 -18.262 -15.273   9.829
 1585   HE22  GLN  41          HE22      GLN  41 -19.910 -15.545   9.385
 1586    H    GLN  42           HN       GLN  42 -15.790 -13.158   4.695
 1587    HA   GLN  42           HA       GLN  42 -15.142 -15.647   3.586
 1588    HB2  GLN  42           HB2      GLN  42 -16.525 -14.071   2.379
 1589    HB3  GLN  42           HB1      GLN  42 -15.222 -12.893   2.339
 1590    HG2  GLN  42           HG2      GLN  42 -13.934 -14.310   0.872
 1591    HG3  GLN  42           HG1      GLN  42 -15.159 -15.573   0.974
 1592   HE21  GLN  42          HE21      GLN  42 -14.115 -14.138  -1.348
 1593   HE22  GLN  42          HE22      GLN  42 -15.482 -13.410  -2.112
 1594    H    GLN  43           HN       GLN  43 -13.203 -12.959   4.531
 1595    HA   GLN  43           HA       GLN  43 -10.873 -13.714   3.021
 1596    HB2  GLN  43           HB2      GLN  43 -11.272 -11.370   3.605
 1597    HB3  GLN  43           HB1      GLN  43 -11.215 -11.772   5.315
 1598    HG2  GLN  43           HG2      GLN  43  -8.869 -12.472   5.041
 1599    HG3  GLN  43           HG1      GLN  43  -8.943 -11.969   3.352
 1600   HE21  GLN  43          HE21      GLN  43  -8.877 -10.917   6.661
 1601   HE22  GLN  43          HE22      GLN  43  -8.545  -9.252   6.339
 1602    H    GLN  44           HN       GLN  44 -12.027 -14.044   6.342
 1603    HA   GLN  44           HA       GLN  44  -9.703 -15.140   7.465
 1604    HB2  GLN  44           HB2      GLN  44 -12.619 -15.420   8.179
 1605    HB3  GLN  44           HB1      GLN  44 -11.351 -16.200   9.114
 1606    HG2  GLN  44           HG2      GLN  44 -11.552 -13.240   8.617
 1607    HG3  GLN  44           HG1      GLN  44 -12.097 -14.063  10.077
 1608   HE21  GLN  44          HE21      GLN  44  -9.345 -13.043   8.212
 1609   HE22  GLN  44          HE22      GLN  44  -8.163 -13.286   9.447
 1610    H    LEU  45           HN       LEU  45 -12.087 -16.446   5.354
 1611    HA   LEU  45           HA       LEU  45 -11.889 -19.175   5.840
 1612    HB2  LEU  45           HB2      LEU  45 -13.524 -18.328   4.303
 1613    HB3  LEU  45           HB1      LEU  45 -12.282 -17.657   3.264
 1614    HG   LEU  45           HG       LEU  45 -11.554 -20.220   3.128
 1615   HD11  LEU  45          HD11      LEU  45 -13.544 -21.648   3.013
 1616   HD12  LEU  45          HD12      LEU  45 -14.523 -20.318   3.631
 1617   HD13  LEU  45          HD13      LEU  45 -13.263 -21.029   4.640
 1618   HD21  LEU  45          HD21      LEU  45 -13.752 -18.897   1.548
 1619   HD22  LEU  45          HD22      LEU  45 -12.916 -20.371   1.062
 1620   HD23  LEU  45          HD23      LEU  45 -12.021 -18.857   1.207
 1621    H    LEU  46           HN       LEU  46  -9.947 -17.166   3.638
 1622    HA   LEU  46           HA       LEU  46  -7.789 -19.146   3.849
 1623    HB2  LEU  46           HB2      LEU  46  -8.627 -17.767   1.298
 1624    HB3  LEU  46           HB1      LEU  46  -7.289 -18.886   1.475
 1625    HG   LEU  46           HG       LEU  46 -10.164 -19.635   1.964
 1626   HD11  LEU  46          HD11      LEU  46  -9.932 -19.021  -0.356
 1627   HD12  LEU  46          HD12      LEU  46 -10.035 -20.777  -0.222
 1628   HD13  LEU  46          HD13      LEU  46  -8.475 -20.004  -0.504
 1629   HD21  LEU  46          HD21      LEU  46  -7.659 -21.277   1.624
 1630   HD22  LEU  46          HD22      LEU  46  -9.293 -21.927   1.767
 1631   HD23  LEU  46          HD23      LEU  46  -8.571 -21.050   3.116
 1632    H    GLN  47           HN       GLN  47  -6.729 -17.791   5.320
 1633    HA   GLN  47           HA       GLN  47  -6.031 -15.089   4.530
 1634    HB2  GLN  47           HB2      GLN  47  -6.473 -16.142   6.948
 1635    HB3  GLN  47           HB1      GLN  47  -4.739 -16.419   6.863
 1636    HG2  GLN  47           HG2      GLN  47  -5.982 -13.729   6.381
 1637    HG3  GLN  47           HG1      GLN  47  -5.488 -14.286   7.978
 1638   HE21  GLN  47          HE21      GLN  47  -4.422 -13.263   4.837
 1639   HE22  GLN  47          HE22      GLN  47  -2.759 -13.043   5.248
 1640    H    ARG  48           HN       ARG  48  -5.147 -17.093   2.758
 1641    HA   ARG  48           HA       ARG  48  -2.319 -16.507   2.749
 1642    HB2  ARG  48           HB2      ARG  48  -1.793 -18.969   2.304
 1643    HB3  ARG  48           HB1      ARG  48  -2.121 -18.505   3.967
 1644    HG2  ARG  48           HG2      ARG  48  -4.393 -19.350   3.764
 1645    HG3  ARG  48           HG1      ARG  48  -4.079 -19.800   2.087
 1646    HD2  ARG  48           HD2      ARG  48  -3.895 -21.722   3.599
 1647    HD3  ARG  48           HD1      ARG  48  -2.364 -21.362   2.801
 1648    HE   ARG  48           HE       ARG  48  -2.357 -20.022   5.234
 1649   HH11  ARG  48          HH11      ARG  48  -2.448 -23.310   4.082
 1650   HH12  ARG  48          HH12      ARG  48  -1.632 -23.954   5.468
 1651   HH21  ARG  48          HH21      ARG  48  -1.282 -20.862   7.062
 1652   HH22  ARG  48          HH22      ARG  48  -0.970 -22.563   7.161
  Start of MODEL    3
    1    H    ASP   1           HT1      ASP   1  -6.049 -16.077 -16.126
    2    HA   ASP   1           HA       ASP   1  -5.724 -15.723 -13.773
    3    HB2  ASP   1           HB2      ASP   1  -3.463 -14.666 -15.487
    4    HB3  ASP   1           HB1      ASP   1  -3.296 -15.272 -13.842
    5    H    GLU   2           HN       GLU   2  -6.871 -14.216 -12.648
    6    HA   GLU   2           HA       GLU   2  -5.553 -11.789 -11.969
    7    HB2  GLU   2           HB2      GLU   2  -7.271 -10.214 -12.738
    8    HB3  GLU   2           HB1      GLU   2  -6.510 -11.040 -14.091
    9    HG2  GLU   2           HG2      GLU   2  -8.426 -12.542 -14.256
   10    HG3  GLU   2           HG1      GLU   2  -9.188 -11.719 -12.895
   11    H    ASP   3           HN       ASP   3  -7.231 -14.305 -11.109
   12    HA   ASP   3           HA       ASP   3  -9.256 -13.130  -9.435
   13    HB2  ASP   3           HB2      ASP   3  -8.141 -15.944  -9.426
   14    HB3  ASP   3           HB1      ASP   3  -9.612 -15.410  -8.618
   15    H    THR   4           HN       THR   4  -8.509 -15.112  -7.205
   16    HA   THR   4           HA       THR   4  -7.061 -13.212  -5.654
   17    HB   THR   4           HB       THR   4  -7.171 -15.930  -4.585
   18    HG1  THR   4           HG1      THR   4  -9.646 -14.674  -4.559
   19   HG21  THR   4          HG21      THR   4  -8.083 -14.743  -2.625
   20   HG22  THR   4          HG22      THR   4  -8.120 -13.252  -3.570
   21   HG23  THR   4          HG23      THR   4  -6.576 -14.020  -3.194
   22    H    TYR   5           HN       TYR   5  -5.062 -13.304  -4.839
   23    HA   TYR   5           HA       TYR   5  -3.150 -15.085  -6.202
   24    HB2  TYR   5           HB2      TYR   5  -3.077 -12.137  -5.737
   25    HB3  TYR   5           HB1      TYR   5  -1.617 -13.073  -6.039
   26    HD1  TYR   5           HD1      TYR   5  -1.516 -14.454  -8.181
   27    HD2  TYR   5           HD2      TYR   5  -4.410 -11.411  -7.514
   28    HE1  TYR   5           HE1      TYR   5  -1.906 -14.305 -10.602
   29    HE2  TYR   5           HE2      TYR   5  -4.808 -11.249  -9.933
   30    HH   TYR   5           HH       TYR   5  -3.662 -13.574 -12.139
   31    H    TYR   6           HN       TYR   6  -1.066 -15.289  -4.934
   32    HA   TYR   6           HA       TYR   6  -1.522 -14.730  -2.079
   33    HB2  TYR   6           HB2      TYR   6   0.411 -16.809  -3.120
   34    HB3  TYR   6           HB1      TYR   6  -0.212 -16.637  -1.487
   35    HD1  TYR   6           HD1      TYR   6  -3.120 -16.262  -2.170
   36    HD2  TYR   6           HD2      TYR   6  -0.238 -19.042  -3.598
   37    HE1  TYR   6           HE1      TYR   6  -4.920 -17.853  -2.656
   38    HE2  TYR   6           HE2      TYR   6  -2.031 -20.651  -4.098
   39    HH   TYR   6           HH       TYR   6  -5.317 -19.793  -4.123
   40    H    LEU   7           HN       LEU   7  -0.255 -13.427  -1.071
   41    HA   LEU   7           HA       LEU   7   2.137 -12.384  -2.466
   42    HB2  LEU   7           HB2      LEU   7  -0.175 -11.126  -1.665
   43    HB3  LEU   7           HB1      LEU   7   0.895 -10.824  -0.325
   44    HG   LEU   7           HG       LEU   7   2.098  -9.289  -1.455
   45   HD11  LEU   7          HD11      LEU   7   3.240 -10.032  -3.209
   46   HD12  LEU   7          HD12      LEU   7   1.874  -9.448  -4.168
   47   HD13  LEU   7          HD13      LEU   7   1.961 -11.146  -3.685
   48   HD21  LEU   7          HD21      LEU   7  -0.393  -9.333  -3.128
   49   HD22  LEU   7          HD22      LEU   7   0.658  -7.947  -2.831
   50   HD23  LEU   7          HD23      LEU   7  -0.267  -8.656  -1.504
   51    H    GLN   8           HN       GLN   8   3.948 -13.221  -1.469
   52    HA   GLN   8           HA       GLN   8   3.735 -13.894   1.326
   53    HB2  GLN   8           HB2      GLN   8   5.096 -15.069  -0.710
   54    HB3  GLN   8           HB1      GLN   8   6.371 -14.132   0.059
   55    HG2  GLN   8           HG2      GLN   8   5.442 -15.198   2.240
   56    HG3  GLN   8           HG1      GLN   8   4.768 -16.391   1.135
   57   HE21  GLN   8          HE21      GLN   8   7.134 -15.986  -0.687
   58   HE22  GLN   8          HE22      GLN   8   8.406 -16.883   0.057
   59    H    VAL   9           HN       VAL   9   4.165 -12.502   2.857
   60    HA   VAL   9           HA       VAL   9   6.005 -10.336   2.216
   61    HB   VAL   9           HB       VAL   9   3.327 -10.190   3.546
   62   HG11  VAL   9          HG11      VAL   9   3.934  -7.862   4.276
   63   HG12  VAL   9          HG12      VAL   9   5.620  -8.305   4.007
   64   HG13  VAL   9          HG13      VAL   9   4.662  -9.170   5.208
   65   HG21  VAL   9          HG21      VAL   9   4.681  -8.378   1.559
   66   HG22  VAL   9          HG22      VAL   9   2.990  -8.334   2.057
   67   HG23  VAL   9          HG23      VAL   9   3.603  -9.709   1.139
   68    H    ARG  10           HN       ARG  10   7.642 -10.023   3.574
   69    HA   ARG  10           HA       ARG  10   7.697 -11.721   5.969
   70    HB2  ARG  10           HB2      ARG  10   9.524 -11.742   4.110
   71    HB3  ARG  10           HB1      ARG  10  10.082 -10.254   4.860
   72    HG2  ARG  10           HG2      ARG  10   9.685 -12.717   6.505
   73    HG3  ARG  10           HG1      ARG  10  11.148 -12.504   5.543
   74    HD2  ARG  10           HD2      ARG  10  11.527 -10.338   6.683
   75    HD3  ARG  10           HD1      ARG  10  10.122 -10.659   7.698
   76    HE   ARG  10           HE       ARG  10  12.008 -12.788   7.812
   77   HH11  ARG  10          HH11      ARG  10  11.348  -9.582   9.008
   78   HH12  ARG  10          HH12      ARG  10  12.266  -9.796  10.461
   79   HH21  ARG  10          HH21      ARG  10  13.217 -13.079   9.721
   80   HH22  ARG  10          HH22      ARG  10  13.329 -11.784  10.866
   81    H    GLY  11           HN       GLY  11   7.927 -10.946   7.986
   82    HA2  GLY  11           HA2      GLY  11   8.391  -9.326   9.636
   83    HA3  GLY  11           HA1      GLY  11   8.479  -8.102   8.377
   84    H    ARG  12           HN       ARG  12   6.770  -8.951  10.975
   85    HA   ARG  12           HA       ARG  12   4.099  -8.956  10.300
   86    HB2  ARG  12           HB2      ARG  12   5.264  -9.222  12.595
   87    HB3  ARG  12           HB1      ARG  12   5.085  -7.477  12.717
   88    HG2  ARG  12           HG2      ARG  12   3.244  -8.456  13.839
   89    HG3  ARG  12           HG1      ARG  12   2.637  -7.790  12.322
   90    HD2  ARG  12           HD2      ARG  12   2.628  -9.975  11.310
   91    HD3  ARG  12           HD1      ARG  12   3.387 -10.678  12.738
   92    HE   ARG  12           HE       ARG  12   1.212  -9.780  13.859
   93   HH11  ARG  12          HH11      ARG  12   1.502 -11.225  10.701
   94   HH12  ARG  12          HH12      ARG  12  -0.105 -11.870  10.708
   95   HH21  ARG  12          HH21      ARG  12  -0.905 -10.623  13.874
   96   HH22  ARG  12          HH22      ARG  12  -1.473 -11.527  12.510
   97    H    GLU  13           HN       GLU  13   6.098  -6.133  10.970
   98    HA   GLU  13           HA       GLU  13   4.176  -4.157  10.785
   99    HB2  GLU  13           HB2      GLU  13   6.606  -3.857  11.412
  100    HB3  GLU  13           HB1      GLU  13   6.974  -3.857   9.693
  101    HG2  GLU  13           HG2      GLU  13   6.863  -1.608  10.313
  102    HG3  GLU  13           HG1      GLU  13   5.347  -1.946   9.480
  103    H    ASN  14           HN       ASN  14   6.033  -5.633   8.162
  104    HA   ASN  14           HA       ASN  14   4.982  -4.052   6.048
  105    HB2  ASN  14           HB2      ASN  14   7.096  -5.240   5.841
  106    HB3  ASN  14           HB1      ASN  14   6.288  -6.782   6.088
  107   HD21  ASN  14          HD21      ASN  14   7.891  -6.379   3.937
  108   HD22  ASN  14          HD22      ASN  14   6.943  -6.334   2.494
  109    H    PHE  15           HN       PHE  15   4.186  -7.273   7.325
  110    HA   PHE  15           HA       PHE  15   2.187  -7.863   5.456
  111    HB2  PHE  15           HB2      PHE  15   3.335  -9.539   6.867
  112    HB3  PHE  15           HB1      PHE  15   2.542  -8.879   8.290
  113    HD1  PHE  15           HD2      PHE  15   1.354  -9.891   4.894
  114    HD2  PHE  15           HD1      PHE  15   0.996 -10.324   9.115
  115    HE1  PHE  15           HE2      PHE  15  -0.497 -11.460   4.571
  116    HE2  PHE  15           HE1      PHE  15  -0.879 -11.894   8.790
  117    HZ   PHE  15           HZ       PHE  15  -1.624 -12.460   6.509
  118    H    GLU  16           HN       GLU  16   1.846  -6.608   8.790
  119    HA   GLU  16           HA       GLU  16  -0.910  -6.383   8.792
  120    HB2  GLU  16           HB2      GLU  16   1.157  -4.685  10.195
  121    HB3  GLU  16           HB1      GLU  16  -0.568  -4.567  10.514
  122    HG2  GLU  16           HG2      GLU  16   1.126  -7.028  10.889
  123    HG3  GLU  16           HG1      GLU  16   0.573  -5.947  12.168
  124    H    ILE  17           HN       ILE  17   1.449  -4.174   7.430
  125    HA   ILE  17           HA       ILE  17  -0.410  -2.012   7.010
  126    HB   ILE  17           HB       ILE  17   2.407  -2.501   6.382
  127   HG12  ILE  17          HG12      ILE  17   0.977   0.116   6.750
  128   HG13  ILE  17          HG11      ILE  17   1.272  -0.954   8.114
  129   HG21  ILE  17          HG21      ILE  17   2.510  -0.832   4.583
  130   HG22  ILE  17          HG22      ILE  17   0.747  -0.784   4.539
  131   HG23  ILE  17          HG23      ILE  17   1.601  -2.263   4.093
  132   HD11  ILE  17          HD11      ILE  17   3.628  -0.746   7.840
  133   HD12  ILE  17          HD12      ILE  17   2.928   0.877   7.815
  134   HD13  ILE  17          HD13      ILE  17   3.427   0.106   6.308
  135    H    LEU  18           HN       LEU  18   0.833  -4.719   5.090
  136    HA   LEU  18           HA       LEU  18  -0.544  -3.973   2.652
  137    HB2  LEU  18           HB2      LEU  18   1.634  -5.588   3.388
  138    HB3  LEU  18           HB1      LEU  18   0.403  -6.662   2.763
  139    HG   LEU  18           HG       LEU  18   0.268  -5.082   0.760
  140   HD11  LEU  18          HD11      LEU  18   2.930  -4.218   1.852
  141   HD12  LEU  18          HD12      LEU  18   1.473  -3.226   1.806
  142   HD13  LEU  18          HD13      LEU  18   2.232  -3.752   0.302
  143   HD21  LEU  18          HD21      LEU  18   2.066  -6.193  -0.380
  144   HD22  LEU  18          HD22      LEU  18   1.311  -7.333   0.735
  145   HD23  LEU  18          HD23      LEU  18   2.851  -6.579   1.152
  146    H    MET  19           HN       MET  19  -1.146  -5.998   5.447
  147    HA   MET  19           HA       MET  19  -3.198  -7.532   4.186
  148    HB2  MET  19           HB2      MET  19  -1.719  -8.055   6.354
  149    HB3  MET  19           HB1      MET  19  -3.044  -7.248   7.172
  150    HG2  MET  19           HG2      MET  19  -3.126  -9.781   5.574
  151    HG3  MET  19           HG1      MET  19  -3.442  -9.561   7.288
  152    HE1  MET  19           HE1      MET  19  -5.681 -11.155   6.654
  153    HE2  MET  19           HE2      MET  19  -5.130 -11.074   4.980
  154    HE3  MET  19           HE3      MET  19  -6.800 -10.668   5.380
  155    H    LYS  20           HN       LYS  20  -3.154  -4.739   6.418
  156    HA   LYS  20           HA       LYS  20  -5.999  -4.491   6.559
  157    HB2  LYS  20           HB2      LYS  20  -4.143  -3.404   8.031
  158    HB3  LYS  20           HB1      LYS  20  -4.031  -2.217   6.742
  159    HG2  LYS  20           HG2      LYS  20  -6.665  -2.835   8.014
  160    HG3  LYS  20           HG1      LYS  20  -5.527  -1.726   8.780
  161    HD2  LYS  20           HD2      LYS  20  -5.468  -0.495   6.554
  162    HD3  LYS  20           HD1      LYS  20  -6.870  -1.466   6.102
  163    HE2  LYS  20           HE2      LYS  20  -6.703   0.323   8.523
  164    HE3  LYS  20           HE1      LYS  20  -7.488   0.746   7.002
  165    HZ1  LYS  20           HZ1      LYS  20  -9.012  -1.107   7.322
  166    HZ2  LYS  20           HZ2      LYS  20  -9.089  -0.035   8.627
  167    HZ3  LYS  20           HZ3      LYS  20  -8.261  -1.501   8.786
  168    H    LEU  21           HN       LEU  21  -3.483  -3.717   4.362
  169    HA   LEU  21           HA       LEU  21  -4.983  -1.877   2.772
  170    HB2  LEU  21           HB2      LEU  21  -2.400  -2.247   3.072
  171    HB3  LEU  21           HB1      LEU  21  -2.613  -3.404   1.774
  172    HG   LEU  21           HG       LEU  21  -3.592  -1.542   0.413
  173   HD11  LEU  21          HD11      LEU  21  -4.113  -0.133   2.437
  174   HD12  LEU  21          HD12      LEU  21  -3.301   0.711   1.122
  175   HD13  LEU  21          HD13      LEU  21  -2.388   0.214   2.543
  176   HD21  LEU  21          HD21      LEU  21  -1.064  -2.389   0.729
  177   HD22  LEU  21          HD22      LEU  21  -0.869  -0.686   1.148
  178   HD23  LEU  21          HD23      LEU  21  -1.534  -1.140  -0.421
  179    H    LYS  22           HN       LYS  22  -4.154  -5.286   2.525
  180    HA   LYS  22           HA       LYS  22  -5.237  -5.851   0.020
  181    HB2  LYS  22           HB2      LYS  22  -4.049  -7.628   0.913
  182    HB3  LYS  22           HB1      LYS  22  -4.705  -7.395   2.523
  183    HG2  LYS  22           HG2      LYS  22  -6.814  -8.185   0.765
  184    HG3  LYS  22           HG1      LYS  22  -5.454  -9.296   0.593
  185    HD2  LYS  22           HD2      LYS  22  -5.444  -9.214   3.210
  186    HD3  LYS  22           HD1      LYS  22  -7.114  -8.686   2.999
  187    HE2  LYS  22           HE2      LYS  22  -5.973 -11.179   1.756
  188    HE3  LYS  22           HE1      LYS  22  -6.807 -11.155   3.308
  189    HZ1  LYS  22           HZ1      LYS  22  -8.246 -11.768   1.417
  190    HZ2  LYS  22           HZ2      LYS  22  -8.012 -10.228   0.761
  191    HZ3  LYS  22           HZ3      LYS  22  -8.794 -10.401   2.249
  192    H    GLU  23           HN       GLU  23  -6.602  -5.498   3.184
  193    HA   GLU  23           HA       GLU  23  -9.261  -6.279   2.631
  194    HB2  GLU  23           HB2      GLU  23  -8.258  -6.087   4.899
  195    HB3  GLU  23           HB1      GLU  23  -8.192  -4.346   4.698
  196    HG2  GLU  23           HG2      GLU  23 -10.592  -4.227   4.618
  197    HG3  GLU  23           HG1      GLU  23 -10.710  -5.978   4.706
  198    H    SER  24           HN       SER  24  -7.720  -3.025   2.638
  199    HA   SER  24           HA       SER  24 -10.010  -1.612   1.902
  200    HB2  SER  24           HB2      SER  24  -8.495   0.195   1.270
  201    HB3  SER  24           HB1      SER  24  -8.020  -0.531   2.800
  202    HG   SER  24           HG       SER  24  -6.379  -0.115   1.006
  203    H    LEU  25           HN       LEU  25  -7.463  -2.973  -0.227
  204    HA   LEU  25           HA       LEU  25  -8.572  -1.884  -2.648
  205    HB2  LEU  25           HB2      LEU  25  -6.531  -3.960  -1.975
  206    HB3  LEU  25           HB1      LEU  25  -7.199  -3.921  -3.592
  207    HG   LEU  25           HG       LEU  25  -5.919  -1.498  -2.344
  208   HD11  LEU  25          HD11      LEU  25  -4.341  -3.413  -2.369
  209   HD12  LEU  25          HD12      LEU  25  -3.858  -2.087  -3.426
  210   HD13  LEU  25          HD13      LEU  25  -4.585  -3.543  -4.111
  211   HD21  LEU  25          HD21      LEU  25  -7.408  -1.304  -4.384
  212   HD22  LEU  25          HD22      LEU  25  -6.192  -2.254  -5.244
  213   HD23  LEU  25          HD23      LEU  25  -5.764  -0.685  -4.559
  214    H    GLU  26           HN       GLU  26  -8.824  -5.014  -1.029
  215    HA   GLU  26           HA       GLU  26 -10.542  -6.062  -3.041
  216    HB2  GLU  26           HB2      GLU  26  -9.812  -7.002  -0.282
  217    HB3  GLU  26           HB1      GLU  26 -11.084  -7.809  -1.189
  218    HG2  GLU  26           HG2      GLU  26  -9.461  -8.184  -3.026
  219    HG3  GLU  26           HG1      GLU  26  -8.203  -7.503  -1.996
  220    H    LEU  27           HN       LEU  27 -11.143  -4.403   0.022
  221    HA   LEU  27           HA       LEU  27 -13.969  -4.879   0.014
  222    HB2  LEU  27           HB2      LEU  27 -12.130  -3.073   1.514
  223    HB3  LEU  27           HB1      LEU  27 -13.844  -2.717   1.512
  224    HG   LEU  27           HG       LEU  27 -12.647  -5.334   2.430
  225   HD11  LEU  27          HD11      LEU  27 -13.734  -3.037   4.053
  226   HD12  LEU  27          HD12      LEU  27 -12.030  -3.460   3.891
  227   HD13  LEU  27          HD13      LEU  27 -13.143  -4.577   4.679
  228   HD21  LEU  27          HD21      LEU  27 -15.443  -4.226   2.658
  229   HD22  LEU  27          HD22      LEU  27 -14.874  -5.754   3.333
  230   HD23  LEU  27          HD23      LEU  27 -14.933  -5.529   1.584
  231    H    MET  28           HN       MET  28 -11.932  -2.789  -1.773
  232    HA   MET  28           HA       MET  28 -13.897  -0.773  -2.141
  233    HB2  MET  28           HB2      MET  28 -11.429  -0.406  -2.544
  234    HB3  MET  28           HB1      MET  28 -11.582  -1.371  -4.007
  235    HG2  MET  28           HG2      MET  28 -13.497   0.366  -4.516
  236    HG3  MET  28           HG1      MET  28 -12.552   1.367  -3.426
  237    HE1  MET  28           HE1      MET  28 -10.491   2.364  -3.792
  238    HE2  MET  28           HE2      MET  28  -9.473   2.308  -5.235
  239    HE3  MET  28           HE3      MET  28  -9.462   0.964  -4.096
  240    H    GLU  29           HN       GLU  29 -13.768  -3.949  -3.253
  241    HA   GLU  29           HA       GLU  29 -15.103  -3.439  -5.786
  242    HB2  GLU  29           HB2      GLU  29 -14.730  -5.659  -6.271
  243    HB3  GLU  29           HB1      GLU  29 -13.334  -5.256  -5.280
  244    HG2  GLU  29           HG2      GLU  29 -14.551  -6.210  -3.319
  245    HG3  GLU  29           HG1      GLU  29 -15.799  -6.758  -4.435
  246    H    LEU  30           HN       LEU  30 -15.982  -4.047  -2.494
  247    HA   LEU  30           HA       LEU  30 -18.584  -5.105  -3.329
  248    HB2  LEU  30           HB2      LEU  30 -18.690  -6.263  -1.421
  249    HB3  LEU  30           HB1      LEU  30 -16.957  -6.030  -1.418
  250    HG   LEU  30           HG       LEU  30 -18.937  -4.362   0.120
  251   HD11  LEU  30          HD11      LEU  30 -17.012  -6.493   1.040
  252   HD12  LEU  30          HD12      LEU  30 -18.768  -6.641   0.978
  253   HD13  LEU  30          HD13      LEU  30 -18.018  -5.492   2.086
  254   HD21  LEU  30          HD21      LEU  30 -17.054  -3.010  -0.373
  255   HD22  LEU  30          HD22      LEU  30 -15.939  -4.327  -0.008
  256   HD23  LEU  30          HD23      LEU  30 -16.866  -3.573   1.287
  257    H    VAL  31           HN       VAL  31 -17.385  -2.237  -3.165
  258    HA   VAL  31           HA       VAL  31 -19.567  -1.017  -1.626
  259    HB   VAL  31           HB       VAL  31 -17.431  -0.089  -1.023
  260   HG11  VAL  31          HG11      VAL  31 -15.979   1.027  -2.652
  261   HG12  VAL  31          HG12      VAL  31 -17.046   0.502  -3.954
  262   HG13  VAL  31          HG13      VAL  31 -16.162  -0.691  -3.002
  263   HG21  VAL  31          HG21      VAL  31 -17.786   2.318  -1.984
  264   HG22  VAL  31          HG22      VAL  31 -18.967   1.613  -0.882
  265   HG23  VAL  31          HG23      VAL  31 -19.277   1.626  -2.618
  266    HA   PRO  32           HA       PRO  32 -21.957  -0.573  -5.371
  267    HB2  PRO  32           HB2      PRO  32 -22.639   1.982  -3.948
  268    HB3  PRO  32           HB1      PRO  32 -23.708   0.854  -4.791
  269    HG2  PRO  32           HG2      PRO  32 -23.499   0.845  -2.119
  270    HG3  PRO  32           HG1      PRO  32 -23.726  -0.651  -3.041
  271    HD2  PRO  32           HD2      PRO  32 -21.335   0.327  -1.614
  272    HD3  PRO  32           HD1      PRO  32 -21.767  -1.328  -2.088
  273    H    GLN  33           HN       GLN  33 -21.182   0.130  -7.247
  274    HA   GLN  33           HA       GLN  33 -18.963   1.663  -7.634
  275    HB2  GLN  33           HB2      GLN  33 -20.012   0.209  -9.332
  276    HB3  GLN  33           HB1      GLN  33 -21.270   1.415  -9.563
  277    HG2  GLN  33           HG2      GLN  33 -19.640   1.602 -11.314
  278    HG3  GLN  33           HG1      GLN  33 -19.561   3.029 -10.282
  279   HE21  GLN  33          HE21      GLN  33 -17.775   3.327  -8.943
  280   HE22  GLN  33          HE22      GLN  33 -16.298   2.461  -9.178
  281    HA   PRO  34           HA       PRO  34 -21.870   5.513  -8.593
  282    HB2  PRO  34           HB2      PRO  34 -23.801   5.029  -6.369
  283    HB3  PRO  34           HB1      PRO  34 -24.071   5.766  -7.952
  284    HG2  PRO  34           HG2      PRO  34 -24.875   3.277  -7.462
  285    HG3  PRO  34           HG1      PRO  34 -24.183   3.718  -9.035
  286    HD2  PRO  34           HD2      PRO  34 -22.944   2.216  -6.771
  287    HD3  PRO  34           HD1      PRO  34 -22.752   1.984  -8.520
  288    H    LEU  35           HN       LEU  35 -21.129   4.079  -5.487
  289    HA   LEU  35           HA       LEU  35 -20.844   6.583  -4.091
  290    HB2  LEU  35           HB2      LEU  35 -20.616   3.704  -3.437
  291    HB3  LEU  35           HB1      LEU  35 -19.629   4.791  -2.484
  292    HG   LEU  35           HG       LEU  35 -22.500   5.467  -2.791
  293   HD11  LEU  35          HD11      LEU  35 -21.521   3.331  -0.903
  294   HD12  LEU  35          HD12      LEU  35 -22.497   3.040  -2.342
  295   HD13  LEU  35          HD13      LEU  35 -23.158   3.978  -1.003
  296   HD21  LEU  35          HD21      LEU  35 -20.547   5.610  -0.496
  297   HD22  LEU  35          HD22      LEU  35 -22.196   6.240  -0.491
  298   HD23  LEU  35          HD23      LEU  35 -20.988   6.940  -1.568
  299    H    VAL  36           HN       VAL  36 -18.757   4.341  -5.786
  300    HA   VAL  36           HA       VAL  36 -16.321   5.391  -4.745
  301    HB   VAL  36           HB       VAL  36 -16.903   3.766  -7.226
  302   HG11  VAL  36          HG11      VAL  36 -14.444   3.432  -7.377
  303   HG12  VAL  36          HG12      VAL  36 -14.237   4.694  -6.163
  304   HG13  VAL  36          HG13      VAL  36 -14.953   5.083  -7.727
  305   HG21  VAL  36          HG21      VAL  36 -15.759   1.986  -5.968
  306   HG22  VAL  36          HG22      VAL  36 -17.194   2.578  -5.130
  307   HG23  VAL  36          HG23      VAL  36 -15.589   3.082  -4.596
  308    H    ASP  37           HN       ASP  37 -18.167   5.941  -7.718
  309    HA   ASP  37           HA       ASP  37 -16.496   7.848  -8.898
  310    HB2  ASP  37           HB2      ASP  37 -19.517   7.662  -9.009
  311    HB3  ASP  37           HB1      ASP  37 -18.507   8.583 -10.119
  312    H    SER  38           HN       SER  38 -19.215   8.250  -6.599
  313    HA   SER  38           HA       SER  38 -19.163  11.019  -6.523
  314    HB2  SER  38           HB2      SER  38 -20.992   9.741  -5.552
  315    HB3  SER  38           HB1      SER  38 -19.915   9.083  -4.320
  316    HG   SER  38           HG       SER  38 -20.510  10.758  -3.206
  317    H    TYR  39           HN       TYR  39 -17.407   8.664  -4.540
  318    HA   TYR  39           HA       TYR  39 -16.158  10.441  -2.777
  319    HB2  TYR  39           HB2      TYR  39 -16.010   8.220  -2.121
  320    HB3  TYR  39           HB1      TYR  39 -15.553   7.667  -3.730
  321    HD1  TYR  39           HD2      TYR  39 -14.316   9.421  -0.715
  322    HD2  TYR  39           HD1      TYR  39 -13.277   7.498  -4.364
  323    HE1  TYR  39           HE2      TYR  39 -11.951   9.462  -0.057
  324    HE2  TYR  39           HE1      TYR  39 -10.909   7.543  -3.723
  325    HH   TYR  39           HH       TYR  39  -9.426   8.819  -2.231
  326    H    ARG  40           HN       ARG  40 -15.061   9.088  -5.863
  327    HA   ARG  40           HA       ARG  40 -12.522  10.129  -5.949
  328    HB2  ARG  40           HB2      ARG  40 -14.500   9.500  -8.122
  329    HB3  ARG  40           HB1      ARG  40 -12.876  10.066  -8.490
  330    HG2  ARG  40           HG2      ARG  40 -11.932   8.155  -7.310
  331    HG3  ARG  40           HG1      ARG  40 -13.557   7.595  -6.911
  332    HD2  ARG  40           HD2      ARG  40 -14.060   7.361  -9.293
  333    HD3  ARG  40           HD1      ARG  40 -12.440   7.929  -9.693
  334    HE   ARG  40           HE       ARG  40 -12.163   5.734  -8.005
  335   HH11  ARG  40          HH11      ARG  40 -13.393   6.440 -11.189
  336   HH12  ARG  40          HH12      ARG  40 -13.039   4.865 -11.815
  337   HH21  ARG  40          HH21      ARG  40 -11.693   3.657  -8.824
  338   HH22  ARG  40          HH22      ARG  40 -12.073   3.284 -10.472
  339    H    GLN  41           HN       GLN  41 -15.555  11.587  -6.990
  340    HA   GLN  41           HA       GLN  41 -14.540  13.948  -8.092
  341    HB2  GLN  41           HB2      GLN  41 -17.160  13.524  -6.640
  342    HB3  GLN  41           HB1      GLN  41 -16.768  14.957  -7.578
  343    HG2  GLN  41           HG2      GLN  41 -16.435  13.448  -9.554
  344    HG3  GLN  41           HG1      GLN  41 -17.107  12.146  -8.575
  345   HE21  GLN  41          HE21      GLN  41 -19.290  12.174  -8.049
  346   HE22  GLN  41          HE22      GLN  41 -20.422  13.200  -8.854
  347    H    GLN  42           HN       GLN  42 -15.577  13.264  -4.761
  348    HA   GLN  42           HA       GLN  42 -14.978  15.791  -3.688
  349    HB2  GLN  42           HB2      GLN  42 -16.338  14.022  -2.564
  350    HB3  GLN  42           HB1      GLN  42 -14.854  13.132  -2.256
  351    HG2  GLN  42           HG2      GLN  42 -15.431  14.307  -0.274
  352    HG3  GLN  42           HG1      GLN  42 -14.020  15.094  -0.978
  353   HE21  GLN  42          HE21      GLN  42 -17.421  15.355  -0.319
  354   HE22  GLN  42          HE22      GLN  42 -17.558  17.050  -0.624
  355    H    GLN  43           HN       GLN  43 -12.991  13.051  -4.462
  356    HA   GLN  43           HA       GLN  43 -10.701  13.927  -2.965
  357    HB2  GLN  43           HB2      GLN  43 -10.847  11.594  -3.290
  358    HB3  GLN  43           HB1      GLN  43 -11.184  11.768  -5.006
  359    HG2  GLN  43           HG2      GLN  43  -8.578  12.773  -4.030
  360    HG3  GLN  43           HG1      GLN  43  -8.814  11.026  -4.070
  361   HE21  GLN  43          HE21      GLN  43  -9.131   9.999  -6.050
  362   HE22  GLN  43          HE22      GLN  43  -8.728  10.755  -7.550
  363    H    GLN  44           HN       GLN  44 -11.850  14.194  -6.270
  364    HA   GLN  44           HA       GLN  44  -9.454  15.220  -7.387
  365    HB2  GLN  44           HB2      GLN  44 -11.398  14.221  -8.667
  366    HB3  GLN  44           HB1      GLN  44 -12.263  15.724  -8.379
  367    HG2  GLN  44           HG2      GLN  44 -11.414  16.175 -10.430
  368    HG3  GLN  44           HG1      GLN  44 -10.086  16.772  -9.438
  369   HE21  GLN  44          HE21      GLN  44  -9.291  13.999  -8.733
  370   HE22  GLN  44          HE22      GLN  44  -8.470  13.395 -10.125
  371    H    LEU  45           HN       LEU  45 -11.973  16.563  -5.486
  372    HA   LEU  45           HA       LEU  45 -11.912  19.252  -6.171
  373    HB2  LEU  45           HB2      LEU  45 -13.564  18.524  -4.650
  374    HB3  LEU  45           HB1      LEU  45 -12.378  17.821  -3.569
  375    HG   LEU  45           HG       LEU  45 -11.665  20.458  -3.510
  376   HD11  LEU  45          HD11      LEU  45 -13.714  21.748  -3.210
  377   HD12  LEU  45          HD12      LEU  45 -14.671  20.347  -3.693
  378   HD13  LEU  45          HD13      LEU  45 -13.587  21.117  -4.852
  379   HD21  LEU  45          HD21      LEU  45 -12.754  20.492  -1.314
  380   HD22  LEU  45          HD22      LEU  45 -11.884  18.982  -1.591
  381   HD23  LEU  45          HD23      LEU  45 -13.642  19.027  -1.738
  382    H    LEU  46           HN       LEU  46  -9.824  17.443  -3.957
  383    HA   LEU  46           HA       LEU  46  -8.032  19.775  -3.837
  384    HB2  LEU  46           HB2      LEU  46  -8.450  17.542  -1.862
  385    HB3  LEU  46           HB1      LEU  46  -7.184  18.747  -1.721
  386    HG   LEU  46           HG       LEU  46 -10.125  19.402  -1.769
  387   HD11  LEU  46          HD11      LEU  46  -9.818  18.168   0.216
  388   HD12  LEU  46          HD12      LEU  46  -9.748  19.866   0.686
  389   HD13  LEU  46          HD13      LEU  46  -8.260  18.931   0.538
  390   HD21  LEU  46          HD21      LEU  46  -7.713  21.033  -1.002
  391   HD22  LEU  46          HD22      LEU  46  -9.392  21.568  -0.928
  392   HD23  LEU  46          HD23      LEU  46  -8.648  21.210  -2.487
  393    H    GLN  47           HN       GLN  47  -7.643  16.284  -3.225
  394    HA   GLN  47           HA       GLN  47  -6.031  14.808  -3.859
  395    HB2  GLN  47           HB2      GLN  47  -7.122  15.749  -6.138
  396    HB3  GLN  47           HB1      GLN  47  -5.455  16.252  -6.385
  397    HG2  GLN  47           HG2      GLN  47  -6.365  13.446  -5.799
  398    HG3  GLN  47           HG1      GLN  47  -5.927  14.074  -7.386
  399   HE21  GLN  47          HE21      GLN  47  -4.765  13.065  -4.276
  400   HE22  GLN  47          HE22      GLN  47  -3.092  12.982  -4.698
  401    H    ARG  48           HN       ARG  48  -5.201  16.968  -2.265
  402    HA   ARG  48           HA       ARG  48  -2.370  16.962  -2.892
  403    HB2  ARG  48           HB2      ARG  48  -2.275  19.473  -2.400
  404    HB3  ARG  48           HB1      ARG  48  -2.856  18.982  -3.984
  405    HG2  ARG  48           HG2      ARG  48  -5.164  19.285  -3.207
  406    HG3  ARG  48           HG1      ARG  48  -4.547  19.837  -1.650
  407    HD2  ARG  48           HD2      ARG  48  -4.002  21.133  -4.318
  408    HD3  ARG  48           HD1      ARG  48  -5.154  21.710  -3.115
  409    HE   ARG  48           HE       ARG  48  -2.685  21.508  -1.859
  410   HH11  ARG  48          HH11      ARG  48  -4.139  23.326  -4.451
  411   HH12  ARG  48          HH12      ARG  48  -3.125  24.711  -4.221
  412   HH21  ARG  48          HH21      ARG  48  -1.346  23.326  -1.548
  413   HH22  ARG  48          HH22      ARG  48  -1.537  24.711  -2.572
  414    H    ASP   1           HT1      ASP   1   6.042 -16.079  16.123
  415    HA   ASP   1           HA       ASP   1   5.718 -15.724  13.769
  416    HB2  ASP   1           HB2      ASP   1   3.456 -14.667  15.483
  417    HB3  ASP   1           HB1      ASP   1   3.290 -15.273  13.838
  418    H    GLU   2           HN       GLU   2   6.865 -14.219  12.644
  419    HA   GLU   2           HA       GLU   2   5.550 -11.791  11.966
  420    HB2  GLU   2           HB2      GLU   2   7.268 -10.217  12.735
  421    HB3  GLU   2           HB1      GLU   2   6.507 -11.043  14.088
  422    HG2  GLU   2           HG2      GLU   2   8.423 -12.545  14.254
  423    HG3  GLU   2           HG1      GLU   2   9.185 -11.723  12.893
  424    H    ASP   3           HN       ASP   3   7.228 -14.307  11.107
  425    HA   ASP   3           HA       ASP   3   9.253 -13.135   9.432
  426    HB2  ASP   3           HB2      ASP   3   8.136 -15.948   9.424
  427    HB3  ASP   3           HB1      ASP   3   9.607 -15.415   8.615
  428    H    THR   4           HN       THR   4   8.504 -15.116   7.202
  429    HA   THR   4           HA       THR   4   7.056 -13.215   5.652
  430    HB   THR   4           HB       THR   4   7.164 -15.932   4.581
  431    HG1  THR   4           HG1      THR   4   9.640 -14.678   4.557
  432   HG21  THR   4          HG21      THR   4   8.078 -14.744   2.622
  433   HG22  THR   4          HG22      THR   4   8.115 -13.253   3.568
  434   HG23  THR   4          HG23      THR   4   6.572 -14.021   3.191
  435    H    TYR   5           HN       TYR   5   5.058 -13.306   4.836
  436    HA   TYR   5           HA       TYR   5   3.143 -15.086   6.198
  437    HB2  TYR   5           HB2      TYR   5   3.074 -12.139   5.734
  438    HB3  TYR   5           HB1      TYR   5   1.612 -13.073   6.036
  439    HD1  TYR   5           HD1      TYR   5   1.511 -14.455   8.178
  440    HD2  TYR   5           HD2      TYR   5   4.405 -11.413   7.510
  441    HE1  TYR   5           HE1      TYR   5   1.902 -14.306  10.598
  442    HE2  TYR   5           HE2      TYR   5   4.804 -11.251   9.929
  443    HH   TYR   5           HH       TYR   5   3.657 -13.576  12.134
  444    H    TYR   6           HN       TYR   6   1.061 -15.290   4.931
  445    HA   TYR   6           HA       TYR   6   1.516 -14.731   2.076
  446    HB2  TYR   6           HB2      TYR   6  -0.418 -16.809   3.117
  447    HB3  TYR   6           HB1      TYR   6   0.206 -16.637   1.484
  448    HD1  TYR   6           HD1      TYR   6   3.113 -16.265   2.166
  449    HD2  TYR   6           HD2      TYR   6   0.231 -19.043   3.596
  450    HE1  TYR   6           HE1      TYR   6   4.913 -17.855   2.651
  451    HE2  TYR   6           HE2      TYR   6   2.026 -20.652   4.096
  452    HH   TYR   6           HH       TYR   6   5.309 -19.796   4.121
  453    H    LEU   7           HN       LEU   7   0.250 -13.427   1.068
  454    HA   LEU   7           HA       LEU   7  -2.141 -12.384   2.464
  455    HB2  LEU   7           HB2      LEU   7   0.171 -11.128   1.663
  456    HB3  LEU   7           HB1      LEU   7  -0.897 -10.826   0.322
  457    HG   LEU   7           HG       LEU   7  -2.101  -9.289   1.451
  458   HD11  LEU   7          HD11      LEU   7  -3.244 -10.031   3.205
  459   HD12  LEU   7          HD12      LEU   7  -1.877  -9.448   4.165
  460   HD13  LEU   7          HD13      LEU   7  -1.966 -11.146   3.682
  461   HD21  LEU   7          HD21      LEU   7   0.390  -9.334   3.124
  462   HD22  LEU   7          HD22      LEU   7  -0.660  -7.948   2.827
  463   HD23  LEU   7          HD23      LEU   7   0.264  -8.658   1.501
  464    H    GLN   8           HN       GLN   8  -3.953 -13.221   1.467
  465    HA   GLN   8           HA       GLN   8  -3.739 -13.894  -1.328
  466    HB2  GLN   8           HB2      GLN   8  -5.102 -15.069   0.706
  467    HB3  GLN   8           HB1      GLN   8  -6.376 -14.131  -0.062
  468    HG2  GLN   8           HG2      GLN   8  -5.448 -15.197  -2.244
  469    HG3  GLN   8           HG1      GLN   8  -4.774 -16.390  -1.139
  470   HE21  GLN   8          HE21      GLN   8  -7.139 -15.984   0.684
  471   HE22  GLN   8          HE22      GLN   8  -8.411 -16.880  -0.058
  472    H    VAL   9           HN       VAL   9  -4.170 -12.502  -2.860
  473    HA   VAL   9           HA       VAL   9  -6.009 -10.336  -2.219
  474    HB   VAL   9           HB       VAL   9  -3.331 -10.191  -3.549
  475   HG11  VAL   9          HG11      VAL   9  -3.937  -7.862  -4.279
  476   HG12  VAL   9          HG12      VAL   9  -5.623  -8.304  -4.010
  477   HG13  VAL   9          HG13      VAL   9  -4.665  -9.169  -5.211
  478   HG21  VAL   9          HG21      VAL   9  -4.684  -8.376  -1.562
  479   HG22  VAL   9          HG22      VAL   9  -2.993  -8.334  -2.061
  480   HG23  VAL   9          HG23      VAL   9  -3.607  -9.707  -1.142
  481    H    ARG  10           HN       ARG  10  -7.646 -10.021  -3.577
  482    HA   ARG  10           HA       ARG  10  -7.701 -11.718  -5.972
  483    HB2  ARG  10           HB2      ARG  10  -9.529 -11.738  -4.114
  484    HB3  ARG  10           HB1      ARG  10 -10.086 -10.251  -4.864
  485    HG2  ARG  10           HG2      ARG  10  -9.689 -12.714  -6.509
  486    HG3  ARG  10           HG1      ARG  10 -11.152 -12.500  -5.547
  487    HD2  ARG  10           HD2      ARG  10 -11.530 -10.334  -6.686
  488    HD3  ARG  10           HD1      ARG  10 -10.125 -10.656  -7.701
  489    HE   ARG  10           HE       ARG  10 -12.014 -12.784  -7.814
  490   HH11  ARG  10          HH11      ARG  10 -11.351  -9.579  -9.012
  491   HH12  ARG  10          HH12      ARG  10 -12.269  -9.794 -10.465
  492   HH21  ARG  10          HH21      ARG  10 -13.223 -13.075  -9.723
  493   HH22  ARG  10          HH22      ARG  10 -13.332 -11.781 -10.869
  494    H    GLY  11           HN       GLY  11  -7.932 -10.944  -7.989
  495    HA2  GLY  11           HA2      GLY  11  -8.395  -9.324  -9.639
  496    HA3  GLY  11           HA1      GLY  11  -8.482  -8.100  -8.380
  497    H    ARG  12           HN       ARG  12  -6.773  -8.949 -10.979
  498    HA   ARG  12           HA       ARG  12  -4.102  -8.957 -10.303
  499    HB2  ARG  12           HB2      ARG  12  -5.267  -9.221 -12.597
  500    HB3  ARG  12           HB1      ARG  12  -5.087  -7.476 -12.720
  501    HG2  ARG  12           HG2      ARG  12  -3.248  -8.457 -13.843
  502    HG3  ARG  12           HG1      ARG  12  -2.639  -7.791 -12.327
  503    HD2  ARG  12           HD2      ARG  12  -2.632  -9.976 -11.313
  504    HD3  ARG  12           HD1      ARG  12  -3.390 -10.679 -12.742
  505    HE   ARG  12           HE       ARG  12  -1.214  -9.780 -13.861
  506   HH11  ARG  12          HH11      ARG  12  -1.506 -11.224 -10.704
  507   HH12  ARG  12          HH12      ARG  12   0.100 -11.873 -10.711
  508   HH21  ARG  12          HH21      ARG  12   0.901 -10.627 -13.878
  509   HH22  ARG  12          HH22      ARG  12   1.468 -11.533 -12.515
  510    H    GLU  13           HN       GLU  13  -6.100  -6.132 -10.974
  511    HA   GLU  13           HA       GLU  13  -4.177  -4.157 -10.789
  512    HB2  GLU  13           HB2      GLU  13  -6.607  -3.856 -11.415
  513    HB3  GLU  13           HB1      GLU  13  -6.975  -3.857  -9.695
  514    HG2  GLU  13           HG2      GLU  13  -6.863  -1.607 -10.316
  515    HG3  GLU  13           HG1      GLU  13  -5.348  -1.946  -9.483
  516    H    ASN  14           HN       ASN  14  -6.034  -5.632  -8.166
  517    HA   ASN  14           HA       ASN  14  -4.983  -4.051  -6.052
  518    HB2  ASN  14           HB2      ASN  14  -7.098  -5.237  -5.842
  519    HB3  ASN  14           HB1      ASN  14  -6.291  -6.780  -6.091
  520   HD21  ASN  14          HD21      ASN  14  -7.894  -6.375  -3.941
  521   HD22  ASN  14          HD22      ASN  14  -6.947  -6.332  -2.496
  522    H    PHE  15           HN       PHE  15  -4.188  -7.271  -7.330
  523    HA   PHE  15           HA       PHE  15  -2.190  -7.862  -5.459
  524    HB2  PHE  15           HB2      PHE  15  -3.338  -9.538  -6.870
  525    HB3  PHE  15           HB1      PHE  15  -2.546  -8.878  -8.293
  526    HD1  PHE  15           HD2      PHE  15  -1.356  -9.890  -4.897
  527    HD2  PHE  15           HD1      PHE  15  -1.001 -10.325  -9.118
  528    HE1  PHE  15           HE2      PHE  15   0.494 -11.460  -4.575
  529    HE2  PHE  15           HE1      PHE  15   0.873 -11.896  -8.794
  530    HZ   PHE  15           HZ       PHE  15   1.619 -12.461  -6.514
  531    H    GLU  16           HN       GLU  16  -1.848  -6.610  -8.793
  532    HA   GLU  16           HA       GLU  16   0.907  -6.387  -8.796
  533    HB2  GLU  16           HB2      GLU  16  -1.159  -4.687 -10.198
  534    HB3  GLU  16           HB1      GLU  16   0.567  -4.571 -10.517
  535    HG2  GLU  16           HG2      GLU  16  -1.128  -7.030 -10.893
  536    HG3  GLU  16           HG1      GLU  16  -0.574  -5.949 -12.171
  537    H    ILE  17           HN       ILE  17  -1.450  -4.176  -7.433
  538    HA   ILE  17           HA       ILE  17   0.410  -2.014  -7.014
  539    HB   ILE  17           HB       ILE  17  -2.408  -2.502  -6.388
  540   HG12  ILE  17          HG12      ILE  17  -0.976   0.115  -6.753
  541   HG13  ILE  17          HG11      ILE  17  -1.271  -0.954  -8.117
  542   HG21  ILE  17          HG21      ILE  17  -2.511  -0.834  -4.588
  543   HG22  ILE  17          HG22      ILE  17  -0.748  -0.786  -4.543
  544   HG23  ILE  17          HG23      ILE  17  -1.603  -2.265  -4.097
  545   HD11  ILE  17          HD11      ILE  17  -3.628  -0.745  -7.843
  546   HD12  ILE  17          HD12      ILE  17  -2.927   0.876  -7.821
  547   HD13  ILE  17          HD13      ILE  17  -3.426   0.108  -6.313
  548    H    LEU  18           HN       LEU  18  -0.833  -4.720  -5.095
  549    HA   LEU  18           HA       LEU  18   0.543  -3.974  -2.656
  550    HB2  LEU  18           HB2      LEU  18  -1.635  -5.588  -3.391
  551    HB3  LEU  18           HB1      LEU  18  -0.406  -6.663  -2.767
  552    HG   LEU  18           HG       LEU  18  -0.268  -5.083  -0.763
  553   HD11  LEU  18          HD11      LEU  18  -2.930  -4.217  -1.856
  554   HD12  LEU  18          HD12      LEU  18  -1.473  -3.227  -1.810
  555   HD13  LEU  18          HD13      LEU  18  -2.231  -3.751  -0.306
  556   HD21  LEU  18          HD21      LEU  18  -2.067  -6.192   0.377
  557   HD22  LEU  18          HD22      LEU  18  -1.313  -7.334  -0.737
  558   HD23  LEU  18          HD23      LEU  18  -2.852  -6.579  -1.154
  559    H    MET  19           HN       MET  19   1.144  -6.000  -5.451
  560    HA   MET  19           HA       MET  19   3.196  -7.535  -4.190
  561    HB2  MET  19           HB2      MET  19   1.717  -8.057  -6.359
  562    HB3  MET  19           HB1      MET  19   3.043  -7.251  -7.176
  563    HG2  MET  19           HG2      MET  19   3.123  -9.783  -5.576
  564    HG3  MET  19           HG1      MET  19   3.437  -9.565  -7.291
  565    HE1  MET  19           HE1      MET  19   5.680 -11.161  -6.661
  566    HE2  MET  19           HE2      MET  19   5.126 -11.081  -4.988
  567    HE3  MET  19           HE3      MET  19   6.797 -10.674  -5.385
  568    H    LYS  20           HN       LYS  20   3.153  -4.742  -6.422
  569    HA   LYS  20           HA       LYS  20   5.997  -4.495  -6.562
  570    HB2  LYS  20           HB2      LYS  20   4.142  -3.406  -8.035
  571    HB3  LYS  20           HB1      LYS  20   4.031  -2.219  -6.746
  572    HG2  LYS  20           HG2      LYS  20   6.665  -2.839  -8.018
  573    HG3  LYS  20           HG1      LYS  20   5.528  -1.730  -8.785
  574    HD2  LYS  20           HD2      LYS  20   5.469  -0.500  -6.559
  575    HD3  LYS  20           HD1      LYS  20   6.871  -1.471  -6.107
  576    HE2  LYS  20           HE2      LYS  20   6.704   0.317  -8.528
  577    HE3  LYS  20           HE1      LYS  20   7.487   0.741  -7.007
  578    HZ1  LYS  20           HZ1      LYS  20   9.012  -1.111  -7.324
  579    HZ2  LYS  20           HZ2      LYS  20   9.089  -0.041  -8.631
  580    HZ3  LYS  20           HZ3      LYS  20   8.261  -1.507  -8.788
  581    H    LEU  21           HN       LEU  21   3.482  -3.719  -4.366
  582    HA   LEU  21           HA       LEU  21   4.983  -1.880  -2.776
  583    HB2  LEU  21           HB2      LEU  21   2.399  -2.249  -3.074
  584    HB3  LEU  21           HB1      LEU  21   2.613  -3.405  -1.776
  585    HG   LEU  21           HG       LEU  21   3.593  -1.543  -0.416
  586   HD11  LEU  21          HD11      LEU  21   4.114  -0.134  -2.441
  587   HD12  LEU  21          HD12      LEU  21   3.304   0.710  -1.125
  588   HD13  LEU  21          HD13      LEU  21   2.389   0.215  -2.546
  589   HD21  LEU  21          HD21      LEU  21   1.065  -2.389  -0.733
  590   HD22  LEU  21          HD22      LEU  21   0.870  -0.687  -1.153
  591   HD23  LEU  21          HD23      LEU  21   1.534  -1.139   0.417
  592    H    LYS  22           HN       LYS  22   4.153  -5.288  -2.531
  593    HA   LYS  22           HA       LYS  22   5.233  -5.854  -0.025
  594    HB2  LYS  22           HB2      LYS  22   4.046  -7.630  -0.917
  595    HB3  LYS  22           HB1      LYS  22   4.702  -7.398  -2.527
  596    HG2  LYS  22           HG2      LYS  22   6.812  -8.187  -0.771
  597    HG3  LYS  22           HG1      LYS  22   5.452  -9.298  -0.596
  598    HD2  LYS  22           HD2      LYS  22   5.441  -9.218  -3.214
  599    HD3  LYS  22           HD1      LYS  22   7.111  -8.690  -3.004
  600    HE2  LYS  22           HE2      LYS  22   5.970 -11.183  -1.759
  601    HE3  LYS  22           HE1      LYS  22   6.802 -11.160  -3.312
  602    HZ1  LYS  22           HZ1      LYS  22   8.241 -11.773  -1.419
  603    HZ2  LYS  22           HZ2      LYS  22   8.009 -10.231  -0.766
  604    HZ3  LYS  22           HZ3      LYS  22   8.791 -10.408  -2.253
  605    H    GLU  23           HN       GLU  23   6.600  -5.503  -3.188
  606    HA   GLU  23           HA       GLU  23   9.259  -6.285  -2.635
  607    HB2  GLU  23           HB2      GLU  23   8.255  -6.090  -4.902
  608    HB3  GLU  23           HB1      GLU  23   8.191  -4.350  -4.701
  609    HG2  GLU  23           HG2      GLU  23  10.591  -4.233  -4.621
  610    HG3  GLU  23           HG1      GLU  23  10.706  -5.984  -4.709
  611    H    SER  24           HN       SER  24   7.721  -3.030  -2.642
  612    HA   SER  24           HA       SER  24  10.011  -1.617  -1.905
  613    HB2  SER  24           HB2      SER  24   8.495   0.189  -1.271
  614    HB3  SER  24           HB1      SER  24   8.021  -0.535  -2.802
  615    HG   SER  24           HG       SER  24   6.378  -0.122  -1.009
  616    H    LEU  25           HN       LEU  25   7.463  -2.976   0.223
  617    HA   LEU  25           HA       LEU  25   8.572  -1.888   2.643
  618    HB2  LEU  25           HB2      LEU  25   6.531  -3.964   1.972
  619    HB3  LEU  25           HB1      LEU  25   7.199  -3.924   3.589
  620    HG   LEU  25           HG       LEU  25   5.918  -1.502   2.340
  621   HD11  LEU  25          HD11      LEU  25   4.341  -3.418   2.365
  622   HD12  LEU  25          HD12      LEU  25   3.858  -2.091   3.421
  623   HD13  LEU  25          HD13      LEU  25   4.584  -3.547   4.108
  624   HD21  LEU  25          HD21      LEU  25   7.409  -1.309   4.379
  625   HD22  LEU  25          HD22      LEU  25   6.191  -2.258   5.240
  626   HD23  LEU  25          HD23      LEU  25   5.766  -0.688   4.553
  627    H    GLU  26           HN       GLU  26   8.822  -5.018   1.026
  628    HA   GLU  26           HA       GLU  26  10.540  -6.066   3.038
  629    HB2  GLU  26           HB2      GLU  26   9.809  -7.007   0.279
  630    HB3  GLU  26           HB1      GLU  26  11.080  -7.815   1.187
  631    HG2  GLU  26           HG2      GLU  26   9.457  -8.187   3.023
  632    HG3  GLU  26           HG1      GLU  26   8.199  -7.507   1.992
  633    H    LEU  27           HN       LEU  27  11.143  -4.410  -0.026
  634    HA   LEU  27           HA       LEU  27  13.969  -4.886  -0.018
  635    HB2  LEU  27           HB2      LEU  27  12.128  -3.080  -1.517
  636    HB3  LEU  27           HB1      LEU  27  13.843  -2.723  -1.515
  637    HG   LEU  27           HG       LEU  27  12.645  -5.339  -2.436
  638   HD11  LEU  27          HD11      LEU  27  13.734  -3.042  -4.056
  639   HD12  LEU  27          HD12      LEU  27  12.029  -3.463  -3.894
  640   HD13  LEU  27          HD13      LEU  27  13.142  -4.580  -4.684
  641   HD21  LEU  27          HD21      LEU  27  15.442  -4.233  -2.663
  642   HD22  LEU  27          HD22      LEU  27  14.872  -5.761  -3.338
  643   HD23  LEU  27          HD23      LEU  27  14.932  -5.536  -1.590
  644    H    MET  28           HN       MET  28  11.932  -2.796   1.770
  645    HA   MET  28           HA       MET  28  13.897  -0.780   2.137
  646    HB2  MET  28           HB2      MET  28  11.431  -0.411   2.538
  647    HB3  MET  28           HB1      MET  28  11.582  -1.376   4.002
  648    HG2  MET  28           HG2      MET  28  13.499   0.361   4.509
  649    HG3  MET  28           HG1      MET  28  12.553   1.361   3.421
  650    HE1  MET  28           HE1      MET  28  10.493   2.359   3.790
  651    HE2  MET  28           HE2      MET  28   9.476   2.301   5.233
  652    HE3  MET  28           HE3      MET  28   9.465   0.960   4.092
  653    H    GLU  29           HN       GLU  29  13.767  -3.955   3.250
  654    HA   GLU  29           HA       GLU  29  15.103  -3.447   5.783
  655    HB2  GLU  29           HB2      GLU  29  14.730  -5.667   6.266
  656    HB3  GLU  29           HB1      GLU  29  13.334  -5.263   5.277
  657    HG2  GLU  29           HG2      GLU  29  14.549  -6.216   3.314
  658    HG3  GLU  29           HG1      GLU  29  15.797  -6.765   4.430
  659    H    LEU  30           HN       LEU  30  15.981  -4.054   2.490
  660    HA   LEU  30           HA       LEU  30  18.583  -5.113   3.326
  661    HB2  LEU  30           HB2      LEU  30  18.689  -6.271   1.418
  662    HB3  LEU  30           HB1      LEU  30  16.956  -6.038   1.415
  663    HG   LEU  30           HG       LEU  30  18.937  -4.370  -0.124
  664   HD11  LEU  30          HD11      LEU  30  17.010  -6.501  -1.043
  665   HD12  LEU  30          HD12      LEU  30  18.766  -6.650  -0.981
  666   HD13  LEU  30          HD13      LEU  30  18.017  -5.501  -2.090
  667   HD21  LEU  30          HD21      LEU  30  17.054  -3.018   0.370
  668   HD22  LEU  30          HD22      LEU  30  15.939  -4.335   0.006
  669   HD23  LEU  30          HD23      LEU  30  16.865  -3.582  -1.290
  670    H    VAL  31           HN       VAL  31  17.385  -2.245   3.161
  671    HA   VAL  31           HA       VAL  31  19.567  -1.026   1.621
  672    HB   VAL  31           HB       VAL  31  17.432  -0.097   1.019
  673   HG11  VAL  31          HG11      VAL  31  15.981   1.019   2.648
  674   HG12  VAL  31          HG12      VAL  31  17.048   0.495   3.950
  675   HG13  VAL  31          HG13      VAL  31  16.164  -0.699   3.000
  676   HG21  VAL  31          HG21      VAL  31  17.790   2.310   1.979
  677   HG22  VAL  31          HG22      VAL  31  18.970   1.603   0.878
  678   HG23  VAL  31          HG23      VAL  31  19.281   1.617   2.613
  679    HA   PRO  32           HA       PRO  32  21.955  -0.583   5.366
  680    HB2  PRO  32           HB2      PRO  32  22.641   1.971   3.945
  681    HB3  PRO  32           HB1      PRO  32  23.708   0.841   4.788
  682    HG2  PRO  32           HG2      PRO  32  23.500   0.835   2.114
  683    HG3  PRO  32           HG1      PRO  32  23.728  -0.661   3.036
  684    HD2  PRO  32           HD2      PRO  32  21.338   0.316   1.608
  685    HD3  PRO  32           HD1      PRO  32  21.769  -1.339   2.084
  686    H    GLN  33           HN       GLN  33  21.183   0.121   7.241
  687    HA   GLN  33           HA       GLN  33  18.965   1.655   7.629
  688    HB2  GLN  33           HB2      GLN  33  20.014   0.201   9.327
  689    HB3  GLN  33           HB1      GLN  33  21.272   1.406   9.557
  690    HG2  GLN  33           HG2      GLN  33  19.643   1.594  11.309
  691    HG3  GLN  33           HG1      GLN  33  19.563   3.021  10.277
  692   HE21  GLN  33          HE21      GLN  33  17.778   3.319   8.938
  693   HE22  GLN  33          HE22      GLN  33  16.302   2.454   9.173
  694    HA   PRO  34           HA       PRO  34  21.874   5.503   8.589
  695    HB2  PRO  34           HB2      PRO  34  23.803   5.017   6.364
  696    HB3  PRO  34           HB1      PRO  34  24.075   5.755   7.947
  697    HG2  PRO  34           HG2      PRO  34  24.877   3.265   7.458
  698    HG3  PRO  34           HG1      PRO  34  24.186   3.707   9.030
  699    HD2  PRO  34           HD2      PRO  34  22.946   2.205   6.766
  700    HD3  PRO  34           HD1      PRO  34  22.754   1.973   8.515
  701    H    LEU  35           HN       LEU  35  21.131   4.069   5.483
  702    HA   LEU  35           HA       LEU  35  20.847   6.573   4.086
  703    HB2  LEU  35           HB2      LEU  35  20.618   3.694   3.432
  704    HB3  LEU  35           HB1      LEU  35  19.632   4.781   2.479
  705    HG   LEU  35           HG       LEU  35  22.503   5.456   2.787
  706   HD11  LEU  35          HD11      LEU  35  21.522   3.322   0.898
  707   HD12  LEU  35          HD12      LEU  35  22.498   3.030   2.337
  708   HD13  LEU  35          HD13      LEU  35  23.160   3.968   0.998
  709   HD21  LEU  35          HD21      LEU  35  20.550   5.601   0.493
  710   HD22  LEU  35          HD22      LEU  35  22.199   6.229   0.487
  711   HD23  LEU  35          HD23      LEU  35  20.992   6.930   1.565
  712    H    VAL  36           HN       VAL  36  18.760   4.331   5.782
  713    HA   VAL  36           HA       VAL  36  16.325   5.382   4.741
  714    HB   VAL  36           HB       VAL  36  16.905   3.757   7.222
  715   HG11  VAL  36          HG11      VAL  36  14.446   3.425   7.372
  716   HG12  VAL  36          HG12      VAL  36  14.241   4.689   6.159
  717   HG13  VAL  36          HG13      VAL  36  14.958   5.076   7.723
  718   HG21  VAL  36          HG21      VAL  36  15.762   1.978   5.962
  719   HG22  VAL  36          HG22      VAL  36  17.196   2.571   5.126
  720   HG23  VAL  36          HG23      VAL  36  15.592   3.075   4.591
  721    H    ASP  37           HN       ASP  37  18.170   5.932   7.714
  722    HA   ASP  37           HA       ASP  37  16.500   7.841   8.893
  723    HB2  ASP  37           HB2      ASP  37  19.521   7.654   9.004
  724    HB3  ASP  37           HB1      ASP  37  18.511   8.576  10.113
  725    H    SER  38           HN       SER  38  19.220   8.241   6.593
  726    HA   SER  38           HA       SER  38  19.169  11.011   6.517
  727    HB2  SER  38           HB2      SER  38  20.997   9.732   5.547
  728    HB3  SER  38           HB1      SER  38  19.919   9.074   4.316
  729    HG   SER  38           HG       SER  38  20.516  10.747   3.201
  730    H    TYR  39           HN       TYR  39  17.411   8.656   4.535
  731    HA   TYR  39           HA       TYR  39  16.164  10.433   2.772
  732    HB2  TYR  39           HB2      TYR  39  16.015   8.212   2.116
  733    HB3  TYR  39           HB1      TYR  39  15.558   7.659   3.725
  734    HD1  TYR  39           HD2      TYR  39  14.321   9.414   0.711
  735    HD2  TYR  39           HD1      TYR  39  13.281   7.491   4.358
  736    HE1  TYR  39           HE2      TYR  39  11.957   9.457   0.052
  737    HE2  TYR  39           HE1      TYR  39  10.913   7.538   3.717
  738    HH   TYR  39           HH       TYR  39   9.432   8.813   2.227
  739    H    ARG  40           HN       ARG  40  15.066   9.081   5.859
  740    HA   ARG  40           HA       ARG  40  12.527  10.124   5.944
  741    HB2  ARG  40           HB2      ARG  40  14.505   9.493   8.118
  742    HB3  ARG  40           HB1      ARG  40  12.880  10.060   8.486
  743    HG2  ARG  40           HG2      ARG  40  11.937   8.150   7.305
  744    HG3  ARG  40           HG1      ARG  40  13.563   7.589   6.906
  745    HD2  ARG  40           HD2      ARG  40  14.065   7.355   9.288
  746    HD3  ARG  40           HD1      ARG  40  12.445   7.923   9.689
  747    HE   ARG  40           HE       ARG  40  12.167   5.728   8.001
  748   HH11  ARG  40          HH11      ARG  40  13.398   6.434  11.184
  749   HH12  ARG  40          HH12      ARG  40  13.043   4.859  11.811
  750   HH21  ARG  40          HH21      ARG  40  11.696   3.652   8.819
  751   HH22  ARG  40          HH22      ARG  40  12.075   3.278  10.467
  752    H    GLN  41           HN       GLN  41  15.561  11.580   6.983
  753    HA   GLN  41           HA       GLN  41  14.547  13.941   8.086
  754    HB2  GLN  41           HB2      GLN  41  17.167  13.515   6.634
  755    HB3  GLN  41           HB1      GLN  41  16.776  14.949   7.573
  756    HG2  GLN  41           HG2      GLN  41  16.443  13.439   9.549
  757    HG3  GLN  41           HG1      GLN  41  17.114  12.137   8.569
  758   HE21  GLN  41          HE21      GLN  41  19.296  12.164   8.043
  759   HE22  GLN  41          HE22      GLN  41  20.428  13.190   8.847
  760    H    GLN  42           HN       GLN  42  15.584  13.257   4.756
  761    HA   GLN  42           HA       GLN  42  14.986  15.784   3.682
  762    HB2  GLN  42           HB2      GLN  42  16.347  14.014   2.558
  763    HB3  GLN  42           HB1      GLN  42  14.861  13.125   2.250
  764    HG2  GLN  42           HG2      GLN  42  15.438  14.299   0.268
  765    HG3  GLN  42           HG1      GLN  42  14.027  15.087   0.972
  766   HE21  GLN  42          HE21      GLN  42  17.429  15.347   0.312
  767   HE22  GLN  42          HE22      GLN  42  17.566  17.042   0.616
  768    H    GLN  43           HN       GLN  43  12.997  13.045   4.455
  769    HA   GLN  43           HA       GLN  43  10.707  13.922   2.960
  770    HB2  GLN  43           HB2      GLN  43  10.852  11.589   3.284
  771    HB3  GLN  43           HB1      GLN  43  11.190  11.762   5.000
  772    HG2  GLN  43           HG2      GLN  43   8.584  12.768   4.025
  773    HG3  GLN  43           HG1      GLN  43   8.819  11.021   4.064
  774   HE21  GLN  43          HE21      GLN  43   9.140   9.995   6.046
  775   HE22  GLN  43          HE22      GLN  43   8.732  10.751   7.545
  776    H    GLN  44           HN       GLN  44  11.857  14.188   6.266
  777    HA   GLN  44           HA       GLN  44   9.463  15.216   7.383
  778    HB2  GLN  44           HB2      GLN  44  11.408  14.217   8.661
  779    HB3  GLN  44           HB1      GLN  44  12.273  15.719   8.373
  780    HG2  GLN  44           HG2      GLN  44  11.426  16.171  10.423
  781    HG3  GLN  44           HG1      GLN  44  10.097  16.768   9.432
  782   HE21  GLN  44          HE21      GLN  44   9.297  13.993   8.731
  783   HE22  GLN  44          HE22      GLN  44   8.481  13.393  10.128
  784    H    LEU  45           HN       LEU  45  11.980  16.557   5.480
  785    HA   LEU  45           HA       LEU  45  11.921  19.246   6.165
  786    HB2  LEU  45           HB2      LEU  45  13.573  18.517   4.644
  787    HB3  LEU  45           HB1      LEU  45  12.387  17.815   3.562
  788    HG   LEU  45           HG       LEU  45  11.675  20.452   3.504
  789   HD11  LEU  45          HD11      LEU  45  13.724  21.741   3.204
  790   HD12  LEU  45          HD12      LEU  45  14.680  20.340   3.688
  791   HD13  LEU  45          HD13      LEU  45  13.597  21.111   4.847
  792   HD21  LEU  45          HD21      LEU  45  12.763  20.485   1.308
  793   HD22  LEU  45          HD22      LEU  45  11.892  18.975   1.586
  794   HD23  LEU  45          HD23      LEU  45  13.651  19.021   1.732
  795    H    LEU  46           HN       LEU  46   9.831  17.437   3.951
  796    HA   LEU  46           HA       LEU  46   8.042  19.771   3.831
  797    HB2  LEU  46           HB2      LEU  46   8.460  17.538   1.858
  798    HB3  LEU  46           HB1      LEU  46   7.193  18.742   1.716
  799    HG   LEU  46           HG       LEU  46  10.134  19.398   1.763
  800   HD11  LEU  46          HD11      LEU  46   9.827  18.163  -0.222
  801   HD12  LEU  46          HD12      LEU  46   9.757  19.861  -0.692
  802   HD13  LEU  46          HD13      LEU  46   8.269  18.926  -0.544
  803   HD21  LEU  46          HD21      LEU  46   7.721  21.028   0.996
  804   HD22  LEU  46          HD22      LEU  46   9.400  21.563   0.923
  805   HD23  LEU  46          HD23      LEU  46   8.656  21.205   2.481
  806    H    GLN  47           HN       GLN  47   7.650  16.281   3.217
  807    HA   GLN  47           HA       GLN  47   6.038  14.804   3.853
  808    HB2  GLN  47           HB2      GLN  47   7.131  15.744   6.130
  809    HB3  GLN  47           HB1      GLN  47   5.465  16.249   6.378
  810    HG2  GLN  47           HG2      GLN  47   6.372  13.442   5.793
  811    HG3  GLN  47           HG1      GLN  47   5.935  14.071   7.380
  812   HE21  GLN  47          HE21      GLN  47   4.772  13.062   4.270
  813   HE22  GLN  47          HE22      GLN  47   3.099  12.980   4.692
  814    H    ARG  48           HN       ARG  48   5.209  16.965   2.260
  815    HA   ARG  48           HA       ARG  48   2.379  16.960   2.887
  816    HB2  ARG  48           HB2      ARG  48   2.285  19.471   2.393
  817    HB3  ARG  48           HB1      ARG  48   2.865  18.979   3.978
  818    HG2  ARG  48           HG2      ARG  48   5.174  19.283   3.203
  819    HG3  ARG  48           HG1      ARG  48   4.558  19.835   1.645
  820    HD2  ARG  48           HD2      ARG  48   4.012  21.131   4.312
  821    HD3  ARG  48           HD1      ARG  48   5.164  21.709   3.109
  822    HE   ARG  48           HE       ARG  48   2.694  21.506   1.855
  823   HH11  ARG  48          HH11      ARG  48   4.151  23.326   4.445
  824   HH12  ARG  48          HH12      ARG  48   3.137  24.711   4.214
  825   HH21  ARG  48          HH21      ARG  48   1.356  23.325   1.543
  826   HH22  ARG  48          HH22      ARG  48   1.549  24.711   2.563
  827    H    ASP   1           HT1      ASP   1  -6.045  16.081  16.124
  828    HA   ASP   1           HA       ASP   1  -5.721  15.726  13.770
  829    HB2  ASP   1           HB2      ASP   1  -3.460  14.669  15.485
  830    HB3  ASP   1           HB1      ASP   1  -3.293  15.274  13.840
  831    H    GLU   2           HN       GLU   2  -6.869  14.219  12.646
  832    HA   GLU   2           HA       GLU   2  -5.551  11.792  11.967
  833    HB2  GLU   2           HB2      GLU   2  -7.269  10.217  12.736
  834    HB3  GLU   2           HB1      GLU   2  -6.509  11.044  14.089
  835    HG2  GLU   2           HG2      GLU   2  -8.425  12.545  14.254
  836    HG3  GLU   2           HG1      GLU   2  -9.186  11.723  12.894
  837    H    ASP   3           HN       ASP   3  -7.229  14.308  11.108
  838    HA   ASP   3           HA       ASP   3  -9.254  13.134   9.434
  839    HB2  ASP   3           HB2      ASP   3  -8.137  15.948   9.424
  840    HB3  ASP   3           HB1      ASP   3  -9.607  15.415   8.614
  841    H    THR   4           HN       THR   4  -8.506  15.115   7.202
  842    HA   THR   4           HA       THR   4  -7.059  13.215   5.652
  843    HB   THR   4           HB       THR   4  -7.167  15.933   4.583
  844    HG1  THR   4           HG1      THR   4  -9.643  14.677   4.560
  845   HG21  THR   4          HG21      THR   4  -8.079  14.745   2.623
  846   HG22  THR   4          HG22      THR   4  -8.118  13.254   3.569
  847   HG23  THR   4          HG23      THR   4  -6.573  14.021   3.193
  848    H    TYR   5           HN       TYR   5  -5.060  13.306   4.837
  849    HA   TYR   5           HA       TYR   5  -3.146  15.086   6.199
  850    HB2  TYR   5           HB2      TYR   5  -3.075  12.138   5.735
  851    HB3  TYR   5           HB1      TYR   5  -1.613  13.073   6.038
  852    HD1  TYR   5           HD1      TYR   5  -1.513  14.455   8.179
  853    HD2  TYR   5           HD2      TYR   5  -4.407  11.412   7.512
  854    HE1  TYR   5           HE1      TYR   5  -1.904  14.307  10.600
  855    HE2  TYR   5           HE2      TYR   5  -4.806  11.251   9.932
  856    HH   TYR   5           HH       TYR   5  -3.659  13.578  12.136
  857    H    TYR   6           HN       TYR   6  -1.062  15.290   4.934
  858    HA   TYR   6           HA       TYR   6  -1.518  14.730   2.079
  859    HB2  TYR   6           HB2      TYR   6   0.417  16.809   3.118
  860    HB3  TYR   6           HB1      TYR   6  -0.207  16.636   1.485
  861    HD1  TYR   6           HD1      TYR   6  -3.115  16.263   2.168
  862    HD2  TYR   6           HD2      TYR   6  -0.232  19.041   3.596
  863    HE1  TYR   6           HE1      TYR   6  -4.914  17.855   2.654
  864    HE2  TYR   6           HE2      TYR   6  -2.025  20.651   4.095
  865    HH   TYR   6           HH       TYR   6  -5.310  19.796   4.120
  866    H    LEU   7           HN       LEU   7  -0.252  13.426   1.071
  867    HA   LEU   7           HA       LEU   7   2.140  12.384   2.467
  868    HB2  LEU   7           HB2      LEU   7  -0.172  11.126   1.666
  869    HB3  LEU   7           HB1      LEU   7   0.897  10.824   0.325
  870    HG   LEU   7           HG       LEU   7   2.101   9.289   1.455
  871   HD11  LEU   7          HD11      LEU   7   3.243  10.031   3.211
  872   HD12  LEU   7          HD12      LEU   7   1.875   9.448   4.169
  873   HD13  LEU   7          HD13      LEU   7   1.964  11.146   3.686
  874   HD21  LEU   7          HD21      LEU   7  -0.392   9.332   3.126
  875   HD22  LEU   7          HD22      LEU   7   0.661   7.946   2.830
  876   HD23  LEU   7          HD23      LEU   7  -0.263   8.655   1.502
  877    H    GLN   8           HN       GLN   8   3.952  13.221   1.469
  878    HA   GLN   8           HA       GLN   8   3.740  13.891  -1.326
  879    HB2  GLN   8           HB2      GLN   8   5.103  15.066   0.709
  880    HB3  GLN   8           HB1      GLN   8   6.377  14.129  -0.061
  881    HG2  GLN   8           HG2      GLN   8   5.447  15.195  -2.241
  882    HG3  GLN   8           HG1      GLN   8   4.773  16.388  -1.135
  883   HE21  GLN   8          HE21      GLN   8   7.138  15.983   0.686
  884   HE22  GLN   8          HE22      GLN   8   8.410  16.879  -0.057
  885    H    VAL   9           HN       VAL   9   4.170  12.500  -2.857
  886    HA   VAL   9           HA       VAL   9   6.009  10.333  -2.216
  887    HB   VAL   9           HB       VAL   9   3.330  10.189  -3.545
  888   HG11  VAL   9          HG11      VAL   9   3.935   7.860  -4.276
  889   HG12  VAL   9          HG12      VAL   9   5.622   8.302  -4.007
  890   HG13  VAL   9          HG13      VAL   9   4.664   9.168  -5.208
  891   HG21  VAL   9          HG21      VAL   9   4.683   8.376  -1.558
  892   HG22  VAL   9          HG22      VAL   9   2.992   8.330  -2.057
  893   HG23  VAL   9          HG23      VAL   9   3.605   9.706  -1.139
  894    H    ARG  10           HN       ARG  10   7.645  10.019  -3.574
  895    HA   ARG  10           HA       ARG  10   7.700  11.716  -5.969
  896    HB2  ARG  10           HB2      ARG  10   9.528  11.736  -4.110
  897    HB3  ARG  10           HB1      ARG  10  10.085  10.248  -4.861
  898    HG2  ARG  10           HG2      ARG  10   9.688  12.711  -6.507
  899    HG3  ARG  10           HG1      ARG  10  11.151  12.498  -5.544
  900    HD2  ARG  10           HD2      ARG  10  11.529  10.331  -6.682
  901    HD3  ARG  10           HD1      ARG  10  10.125  10.653  -7.697
  902    HE   ARG  10           HE       ARG  10  12.013  12.781  -7.811
  903   HH11  ARG  10          HH11      ARG  10  11.350   9.576  -9.006
  904   HH12  ARG  10          HH12      ARG  10  12.268   9.789 -10.460
  905   HH21  ARG  10          HH21      ARG  10  13.224  13.071  -9.721
  906   HH22  ARG  10          HH22      ARG  10  13.333  11.776 -10.866
  907    H    GLY  11           HN       GLY  11   7.932  10.942  -7.985
  908    HA2  GLY  11           HA2      GLY  11   8.394   9.320  -9.636
  909    HA3  GLY  11           HA1      GLY  11   8.480   8.096  -8.376
  910    H    ARG  12           HN       ARG  12   6.773   8.947 -10.975
  911    HA   ARG  12           HA       ARG  12   4.101   8.953 -10.300
  912    HB2  ARG  12           HB2      ARG  12   5.267   9.218 -12.594
  913    HB3  ARG  12           HB1      ARG  12   5.087   7.473 -12.716
  914    HG2  ARG  12           HG2      ARG  12   3.247   8.454 -13.839
  915    HG3  ARG  12           HG1      ARG  12   2.638   7.788 -12.323
  916    HD2  ARG  12           HD2      ARG  12   2.632   9.972 -11.309
  917    HD3  ARG  12           HD1      ARG  12   3.391  10.676 -12.737
  918    HE   ARG  12           HE       ARG  12   1.215   9.778 -13.859
  919   HH11  ARG  12          HH11      ARG  12   1.504  11.222 -10.701
  920   HH12  ARG  12          HH12      ARG  12  -0.102  11.869 -10.709
  921   HH21  ARG  12          HH21      ARG  12  -0.900  10.625 -13.876
  922   HH22  ARG  12          HH22      ARG  12  -1.469  11.529 -12.512
  923    H    GLU  13           HN       GLU  13   6.100   6.129 -10.970
  924    HA   GLU  13           HA       GLU  13   4.177   4.154 -10.786
  925    HB2  GLU  13           HB2      GLU  13   6.607   3.853 -11.412
  926    HB3  GLU  13           HB1      GLU  13   6.975   3.853  -9.692
  927    HG2  GLU  13           HG2      GLU  13   6.862   1.603 -10.312
  928    HG3  GLU  13           HG1      GLU  13   5.346   1.942  -9.479
  929    H    ASN  14           HN       ASN  14   6.034   5.630  -8.162
  930    HA   ASN  14           HA       ASN  14   4.982   4.049  -6.047
  931    HB2  ASN  14           HB2      ASN  14   7.097   5.237  -5.839
  932    HB3  ASN  14           HB1      ASN  14   6.289   6.779  -6.087
  933   HD21  ASN  14          HD21      ASN  14   7.892   6.375  -3.938
  934   HD22  ASN  14          HD22      ASN  14   6.945   6.331  -2.493
  935    H    PHE  15           HN       PHE  15   4.187   7.269  -7.327
  936    HA   PHE  15           HA       PHE  15   2.189   7.859  -5.456
  937    HB2  PHE  15           HB2      PHE  15   3.338   9.535  -6.866
  938    HB3  PHE  15           HB1      PHE  15   2.546   8.875  -8.290
  939    HD1  PHE  15           HD2      PHE  15   1.356   9.889  -4.894
  940    HD2  PHE  15           HD1      PHE  15   1.000  10.322  -9.116
  941    HE1  PHE  15           HE2      PHE  15  -0.494  11.459  -4.572
  942    HE2  PHE  15           HE1      PHE  15  -0.874  11.893  -8.792
  943    HZ   PHE  15           HZ       PHE  15  -1.619  12.459  -6.511
  944    H    GLU  16           HN       GLU  16   1.847   6.607  -8.791
  945    HA   GLU  16           HA       GLU  16  -0.908   6.383  -8.793
  946    HB2  GLU  16           HB2      GLU  16   1.158   4.684 -10.196
  947    HB3  GLU  16           HB1      GLU  16  -0.567   4.567 -10.515
  948    HG2  GLU  16           HG2      GLU  16   1.127   7.027 -10.890
  949    HG3  GLU  16           HG1      GLU  16   0.574   5.946 -12.168
  950    H    ILE  17           HN       ILE  17   1.449   4.173  -7.430
  951    HA   ILE  17           HA       ILE  17  -0.412   2.012  -7.010
  952    HB   ILE  17           HB       ILE  17   2.406   2.499  -6.383
  953   HG12  ILE  17          HG12      ILE  17   0.975  -0.118  -6.749
  954   HG13  ILE  17          HG11      ILE  17   1.270   0.951  -8.113
  955   HG21  ILE  17          HG21      ILE  17   2.509   0.831  -4.584
  956   HG22  ILE  17          HG22      ILE  17   0.746   0.783  -4.539
  957   HG23  ILE  17          HG23      ILE  17   1.601   2.262  -4.093
  958   HD11  ILE  17          HD11      ILE  17   3.627   0.742  -7.840
  959   HD12  ILE  17          HD12      ILE  17   2.926  -0.880  -7.816
  960   HD13  ILE  17          HD13      ILE  17   3.425  -0.110  -6.308
  961    H    LEU  18           HN       LEU  18   0.831   4.718  -5.092
  962    HA   LEU  18           HA       LEU  18  -0.544   3.972  -2.653
  963    HB2  LEU  18           HB2      LEU  18   1.634   5.586  -3.388
  964    HB3  LEU  18           HB1      LEU  18   0.404   6.660  -2.764
  965    HG   LEU  18           HG       LEU  18   0.268   5.081  -0.760
  966   HD11  LEU  18          HD11      LEU  18   2.930   4.216  -1.854
  967   HD12  LEU  18          HD12      LEU  18   1.472   3.225  -1.806
  968   HD13  LEU  18          HD13      LEU  18   2.232   3.751  -0.303
  969   HD21  LEU  18          HD21      LEU  18   2.067   6.191   0.379
  970   HD22  LEU  18          HD22      LEU  18   1.312   7.332  -0.736
  971   HD23  LEU  18          HD23      LEU  18   2.851   6.578  -1.153
  972    H    MET  19           HN       MET  19  -1.145   5.997  -5.447
  973    HA   MET  19           HA       MET  19  -3.197   7.533  -4.187
  974    HB2  MET  19           HB2      MET  19  -1.717   8.054  -6.356
  975    HB3  MET  19           HB1      MET  19  -3.043   7.247  -7.173
  976    HG2  MET  19           HG2      MET  19  -3.125   9.781  -5.574
  977    HG3  MET  19           HG1      MET  19  -3.438   9.561  -7.290
  978    HE1  MET  19           HE1      MET  19  -5.680  11.158  -6.660
  979    HE2  MET  19           HE2      MET  19  -5.128  11.077  -4.986
  980    HE3  MET  19           HE3      MET  19  -6.798  10.671  -5.386
  981    H    LYS  20           HN       LYS  20  -3.154   4.740  -6.420
  982    HA   LYS  20           HA       LYS  20  -5.998   4.493  -6.560
  983    HB2  LYS  20           HB2      LYS  20  -4.145   3.404  -8.034
  984    HB3  LYS  20           HB1      LYS  20  -4.032   2.218  -6.744
  985    HG2  LYS  20           HG2      LYS  20  -6.667   2.835  -8.016
  986    HG3  LYS  20           HG1      LYS  20  -5.528   1.726  -8.781
  987    HD2  LYS  20           HD2      LYS  20  -5.469   0.496  -6.556
  988    HD3  LYS  20           HD1      LYS  20  -6.870   1.468  -6.103
  989    HE2  LYS  20           HE2      LYS  20  -6.705  -0.320  -8.525
  990    HE3  LYS  20           HE1      LYS  20  -7.489  -0.745  -7.004
  991    HZ1  LYS  20           HZ1      LYS  20  -9.013   1.109  -7.321
  992    HZ2  LYS  20           HZ2      LYS  20  -9.091   0.037  -8.627
  993    HZ3  LYS  20           HZ3      LYS  20  -8.262   1.503  -8.786
  994    H    LEU  21           HN       LEU  21  -3.483   3.717  -4.363
  995    HA   LEU  21           HA       LEU  21  -4.984   1.878  -2.773
  996    HB2  LEU  21           HB2      LEU  21  -2.400   2.248  -3.071
  997    HB3  LEU  21           HB1      LEU  21  -2.615   3.403  -1.773
  998    HG   LEU  21           HG       LEU  21  -3.594   1.540  -0.414
  999   HD11  LEU  21          HD11      LEU  21  -4.114   0.133  -2.439
 1000   HD12  LEU  21          HD12      LEU  21  -3.304  -0.712  -1.123
 1001   HD13  LEU  21          HD13      LEU  21  -2.389  -0.215  -2.544
 1002   HD21  LEU  21          HD21      LEU  21  -1.066   2.388  -0.729
 1003   HD22  LEU  21          HD22      LEU  21  -0.870   0.685  -1.149
 1004   HD23  LEU  21          HD23      LEU  21  -1.535   1.138   0.420
 1005    H    LYS  22           HN       LYS  22  -4.155   5.288  -2.528
 1006    HA   LYS  22           HA       LYS  22  -5.236   5.853  -0.022
 1007    HB2  LYS  22           HB2      LYS  22  -4.049   7.629  -0.915
 1008    HB3  LYS  22           HB1      LYS  22  -4.705   7.396  -2.525
 1009    HG2  LYS  22           HG2      LYS  22  -6.813   8.186  -0.768
 1010    HG3  LYS  22           HG1      LYS  22  -5.453   9.297  -0.595
 1011    HD2  LYS  22           HD2      LYS  22  -5.443   9.215  -3.212
 1012    HD3  LYS  22           HD1      LYS  22  -7.113   8.689  -3.000
 1013    HE2  LYS  22           HE2      LYS  22  -5.970  11.181  -1.757
 1014    HE3  LYS  22           HE1      LYS  22  -6.802  11.158  -3.310
 1015    HZ1  LYS  22           HZ1      LYS  22  -8.242  11.772  -1.418
 1016    HZ2  LYS  22           HZ2      LYS  22  -8.009  10.230  -0.764
 1017    HZ3  LYS  22           HZ3      LYS  22  -8.791  10.405  -2.252
 1018    H    GLU  23           HN       GLU  23  -6.602   5.502  -3.185
 1019    HA   GLU  23           HA       GLU  23  -9.261   6.283  -2.633
 1020    HB2  GLU  23           HB2      GLU  23  -8.257   6.089  -4.900
 1021    HB3  GLU  23           HB1      GLU  23  -8.192   4.348  -4.698
 1022    HG2  GLU  23           HG2      GLU  23 -10.592   4.230  -4.618
 1023    HG3  GLU  23           HG1      GLU  23 -10.708   5.981  -4.707
 1024    H    SER  24           HN       SER  24  -7.723   3.028  -2.640
 1025    HA   SER  24           HA       SER  24 -10.011   1.615  -1.903
 1026    HB2  SER  24           HB2      SER  24  -8.497  -0.192  -1.270
 1027    HB3  SER  24           HB1      SER  24  -8.020   0.534  -2.799
 1028    HG   SER  24           HG       SER  24  -6.380   0.119  -1.006
 1029    H    LEU  25           HN       LEU  25  -7.464   2.974   0.226
 1030    HA   LEU  25           HA       LEU  25  -8.574   1.885   2.646
 1031    HB2  LEU  25           HB2      LEU  25  -6.533   3.962   1.974
 1032    HB3  LEU  25           HB1      LEU  25  -7.202   3.923   3.591
 1033    HG   LEU  25           HG       LEU  25  -5.920   1.500   2.344
 1034   HD11  LEU  25          HD11      LEU  25  -4.342   3.416   2.367
 1035   HD12  LEU  25          HD12      LEU  25  -3.859   2.091   3.424
 1036   HD13  LEU  25          HD13      LEU  25  -4.586   3.546   4.110
 1037   HD21  LEU  25          HD21      LEU  25  -7.410   1.307   4.384
 1038   HD22  LEU  25          HD22      LEU  25  -6.193   2.258   5.244
 1039   HD23  LEU  25          HD23      LEU  25  -5.766   0.688   4.559
 1040    H    GLU  26           HN       GLU  26  -8.824   5.016   1.030
 1041    HA   GLU  26           HA       GLU  26 -10.543   6.065   3.041
 1042    HB2  GLU  26           HB2      GLU  26  -9.808   7.003   0.282
 1043    HB3  GLU  26           HB1      GLU  26 -11.081   7.813   1.187
 1044    HG2  GLU  26           HG2      GLU  26  -9.457   8.187   3.025
 1045    HG3  GLU  26           HG1      GLU  26  -8.200   7.505   1.995
 1046    H    LEU  27           HN       LEU  27 -11.144   4.408  -0.024
 1047    HA   LEU  27           HA       LEU  27 -13.970   4.885  -0.017
 1048    HB2  LEU  27           HB2      LEU  27 -12.130   3.078  -1.514
 1049    HB3  LEU  27           HB1      LEU  27 -13.845   2.722  -1.512
 1050    HG   LEU  27           HG       LEU  27 -12.647   5.337  -2.433
 1051   HD11  LEU  27          HD11      LEU  27 -13.735   3.040  -4.053
 1052   HD12  LEU  27          HD12      LEU  27 -12.030   3.461  -3.890
 1053   HD13  LEU  27          HD13      LEU  27 -13.142   4.579  -4.681
 1054   HD21  LEU  27          HD21      LEU  27 -15.444   4.232  -2.661
 1055   HD22  LEU  27          HD22      LEU  27 -14.873   5.758  -3.336
 1056   HD23  LEU  27          HD23      LEU  27 -14.933   5.536  -1.588
 1057    H    MET  28           HN       MET  28 -11.933   2.796   1.771
 1058    HA   MET  28           HA       MET  28 -13.898   0.780   2.140
 1059    HB2  MET  28           HB2      MET  28 -11.433   0.410   2.541
 1060    HB3  MET  28           HB1      MET  28 -11.582   1.375   4.004
 1061    HG2  MET  28           HG2      MET  28 -13.500  -0.361   4.513
 1062    HG3  MET  28           HG1      MET  28 -12.555  -1.362   3.424
 1063    HE1  MET  28           HE1      MET  28 -10.494  -2.357   3.790
 1064    HE2  MET  28           HE2      MET  28  -9.478  -2.303   5.234
 1065    HE3  MET  28           HE3      MET  28  -9.466  -0.958   4.095
 1066    H    GLU  29           HN       GLU  29 -13.770   3.955   3.252
 1067    HA   GLU  29           HA       GLU  29 -15.106   3.445   5.785
 1068    HB2  GLU  29           HB2      GLU  29 -14.731   5.665   6.268
 1069    HB3  GLU  29           HB1      GLU  29 -13.336   5.260   5.278
 1070    HG2  GLU  29           HG2      GLU  29 -14.551   6.214   3.317
 1071    HG3  GLU  29           HG1      GLU  29 -15.799   6.764   4.432
 1072    H    LEU  30           HN       LEU  30 -15.983   4.054   2.493
 1073    HA   LEU  30           HA       LEU  30 -18.585   5.113   3.328
 1074    HB2  LEU  30           HB2      LEU  30 -18.690   6.270   1.419
 1075    HB3  LEU  30           HB1      LEU  30 -16.957   6.037   1.417
 1076    HG   LEU  30           HG       LEU  30 -18.938   4.370  -0.124
 1077   HD11  LEU  30          HD11      LEU  30 -17.009   6.499  -1.041
 1078   HD12  LEU  30          HD12      LEU  30 -18.764   6.650  -0.980
 1079   HD13  LEU  30          HD13      LEU  30 -18.016   5.500  -2.089
 1080   HD21  LEU  30          HD21      LEU  30 -17.056   3.017   0.372
 1081   HD22  LEU  30          HD22      LEU  30 -15.939   4.333   0.008
 1082   HD23  LEU  30          HD23      LEU  30 -16.865   3.580  -1.288
 1083    H    VAL  31           HN       VAL  31 -17.386   2.244   3.162
 1084    HA   VAL  31           HA       VAL  31 -19.568   1.025   1.622
 1085    HB   VAL  31           HB       VAL  31 -17.433   0.095   1.022
 1086   HG11  VAL  31          HG11      VAL  31 -15.983  -1.021   2.652
 1087   HG12  VAL  31          HG12      VAL  31 -17.049  -0.494   3.953
 1088   HG13  VAL  31          HG13      VAL  31 -16.164   0.697   3.001
 1089   HG21  VAL  31          HG21      VAL  31 -17.791  -2.311   1.981
 1090   HG22  VAL  31          HG22      VAL  31 -18.971  -1.605   0.880
 1091   HG23  VAL  31          HG23      VAL  31 -19.282  -1.619   2.615
 1092    HA   PRO  32           HA       PRO  32 -21.958   0.583   5.368
 1093    HB2  PRO  32           HB2      PRO  32 -22.643  -1.972   3.947
 1094    HB3  PRO  32           HB1      PRO  32 -23.710  -0.842   4.790
 1095    HG2  PRO  32           HG2      PRO  32 -23.502  -0.835   2.116
 1096    HG3  PRO  32           HG1      PRO  32 -23.730   0.661   3.038
 1097    HD2  PRO  32           HD2      PRO  32 -21.340  -0.315   1.610
 1098    HD3  PRO  32           HD1      PRO  32 -21.771   1.340   2.087
 1099    H    GLN  33           HN       GLN  33 -21.186  -0.121   7.243
 1100    HA   GLN  33           HA       GLN  33 -18.967  -1.655   7.632
 1101    HB2  GLN  33           HB2      GLN  33 -20.016  -0.201   9.330
 1102    HB3  GLN  33           HB1      GLN  33 -21.274  -1.406   9.560
 1103    HG2  GLN  33           HG2      GLN  33 -19.645  -1.594  11.312
 1104    HG3  GLN  33           HG1      GLN  33 -19.566  -3.021  10.279
 1105   HE21  GLN  33          HE21      GLN  33 -17.780  -3.319   8.942
 1106   HE22  GLN  33          HE22      GLN  33 -16.304  -2.453   9.176
 1107    HA   PRO  34           HA       PRO  34 -21.876  -5.503   8.592
 1108    HB2  PRO  34           HB2      PRO  34 -23.805  -5.017   6.367
 1109    HB3  PRO  34           HB1      PRO  34 -24.078  -5.755   7.950
 1110    HG2  PRO  34           HG2      PRO  34 -24.879  -3.265   7.459
 1111    HG3  PRO  34           HG1      PRO  34 -24.189  -3.706   9.033
 1112    HD2  PRO  34           HD2      PRO  34 -22.948  -2.206   6.768
 1113    HD3  PRO  34           HD1      PRO  34 -22.756  -1.973   8.518
 1114    H    LEU  35           HN       LEU  35 -21.134  -4.070   5.486
 1115    HA   LEU  35           HA       LEU  35 -20.850  -6.575   4.089
 1116    HB2  LEU  35           HB2      LEU  35 -20.620  -3.695   3.435
 1117    HB3  LEU  35           HB1      LEU  35 -19.633  -4.782   2.482
 1118    HG   LEU  35           HG       LEU  35 -22.505  -5.458   2.789
 1119   HD11  LEU  35          HD11      LEU  35 -21.523  -3.323   0.900
 1120   HD12  LEU  35          HD12      LEU  35 -22.500  -3.032   2.339
 1121   HD13  LEU  35          HD13      LEU  35 -23.161  -3.969   0.999
 1122   HD21  LEU  35          HD21      LEU  35 -20.550  -5.601   0.495
 1123   HD22  LEU  35          HD22      LEU  35 -22.199  -6.231   0.489
 1124   HD23  LEU  35          HD23      LEU  35 -20.992  -6.931   1.568
 1125    H    VAL  36           HN       VAL  36 -18.762  -4.332   5.784
 1126    HA   VAL  36           HA       VAL  36 -16.326  -5.383   4.743
 1127    HB   VAL  36           HB       VAL  36 -16.907  -3.757   7.224
 1128   HG11  VAL  36          HG11      VAL  36 -14.449  -3.425   7.376
 1129   HG12  VAL  36          HG12      VAL  36 -14.242  -4.688   6.163
 1130   HG13  VAL  36          HG13      VAL  36 -14.960  -5.076   7.726
 1131   HG21  VAL  36          HG21      VAL  36 -15.762  -1.979   5.965
 1132   HG22  VAL  36          HG22      VAL  36 -17.197  -2.570   5.128
 1133   HG23  VAL  36          HG23      VAL  36 -15.594  -3.076   4.594
 1134    H    ASP  37           HN       ASP  37 -18.172  -5.932   7.717
 1135    HA   ASP  37           HA       ASP  37 -16.503  -7.841   8.897
 1136    HB2  ASP  37           HB2      ASP  37 -19.523  -7.652   9.008
 1137    HB3  ASP  37           HB1      ASP  37 -18.514  -8.574  10.118
 1138    H    SER  38           HN       SER  38 -19.222  -8.241   6.597
 1139    HA   SER  38           HA       SER  38 -19.172 -11.011   6.522
 1140    HB2  SER  38           HB2      SER  38 -20.999  -9.731   5.550
 1141    HB3  SER  38           HB1      SER  38 -19.920  -9.074   4.319
 1142    HG   SER  38           HG       SER  38 -20.518 -10.748   3.205
 1143    H    TYR  39           HN       TYR  39 -17.414  -8.656   4.539
 1144    HA   TYR  39           HA       TYR  39 -16.166 -10.433   2.777
 1145    HB2  TYR  39           HB2      TYR  39 -16.017  -8.212   2.121
 1146    HB3  TYR  39           HB1      TYR  39 -15.559  -7.660   3.730
 1147    HD1  TYR  39           HD2      TYR  39 -14.325  -9.414   0.715
 1148    HD2  TYR  39           HD1      TYR  39 -13.282  -7.491   4.362
 1149    HE1  TYR  39           HE2      TYR  39 -11.960  -9.459   0.056
 1150    HE2  TYR  39           HE1      TYR  39 -10.915  -7.540   3.721
 1151    HH   TYR  39           HH       TYR  39  -9.433  -8.816   2.229
 1152    H    ARG  40           HN       ARG  40 -15.069  -9.081   5.863
 1153    HA   ARG  40           HA       ARG  40 -12.530 -10.124   5.947
 1154    HB2  ARG  40           HB2      ARG  40 -14.507  -9.493   8.122
 1155    HB3  ARG  40           HB1      ARG  40 -12.882 -10.060   8.489
 1156    HG2  ARG  40           HG2      ARG  40 -11.939  -8.149   7.308
 1157    HG3  ARG  40           HG1      ARG  40 -13.565  -7.589   6.910
 1158    HD2  ARG  40           HD2      ARG  40 -14.068  -7.354   9.291
 1159    HD3  ARG  40           HD1      ARG  40 -12.448  -7.923   9.692
 1160    HE   ARG  40           HE       ARG  40 -12.169  -5.728   8.005
 1161   HH11  ARG  40          HH11      ARG  40 -13.401  -6.433  11.187
 1162   HH12  ARG  40          HH12      ARG  40 -13.048  -4.857  11.813
 1163   HH21  ARG  40          HH21      ARG  40 -11.700  -3.650   8.822
 1164   HH22  ARG  40          HH22      ARG  40 -12.080  -3.277  10.470
 1165    H    GLN  41           HN       GLN  41 -15.563 -11.580   6.989
 1166    HA   GLN  41           HA       GLN  41 -14.551 -13.941   8.092
 1167    HB2  GLN  41           HB2      GLN  41 -17.169 -13.515   6.639
 1168    HB3  GLN  41           HB1      GLN  41 -16.778 -14.948   7.578
 1169    HG2  GLN  41           HG2      GLN  41 -16.445 -13.438   9.554
 1170    HG3  GLN  41           HG1      GLN  41 -17.118 -12.136   8.573
 1171   HE21  GLN  41          HE21      GLN  41 -19.299 -12.165   8.048
 1172   HE22  GLN  41          HE22      GLN  41 -20.431 -13.192   8.852
 1173    H    GLN  42           HN       GLN  42 -15.584 -13.256   4.761
 1174    HA   GLN  42           HA       GLN  42 -14.988 -15.785   3.688
 1175    HB2  GLN  42           HB2      GLN  42 -16.348 -14.015   2.564
 1176    HB3  GLN  42           HB1      GLN  42 -14.863 -13.125   2.256
 1177    HG2  GLN  42           HG2      GLN  42 -15.441 -14.299   0.273
 1178    HG3  GLN  42           HG1      GLN  42 -14.029 -15.087   0.978
 1179   HE21  GLN  42          HE21      GLN  42 -17.430 -15.348   0.317
 1180   HE22  GLN  42          HE22      GLN  42 -17.567 -17.043   0.622
 1181    H    GLN  43           HN       GLN  43 -13.000 -13.046   4.460
 1182    HA   GLN  43           HA       GLN  43 -10.708 -13.923   2.965
 1183    HB2  GLN  43           HB2      GLN  43 -10.855 -11.589   3.290
 1184    HB3  GLN  43           HB1      GLN  43 -11.193 -11.763   5.005
 1185    HG2  GLN  43           HG2      GLN  43  -8.586 -12.768   4.030
 1186    HG3  GLN  43           HG1      GLN  43  -8.822 -11.021   4.070
 1187   HE21  GLN  43          HE21      GLN  43  -9.139  -9.994   6.050
 1188   HE22  GLN  43          HE22      GLN  43  -8.733 -10.751   7.549
 1189    H    GLN  44           HN       GLN  44 -11.859 -14.188   6.271
 1190    HA   GLN  44           HA       GLN  44  -9.465 -15.215   7.389
 1191    HB2  GLN  44           HB2      GLN  44 -11.411 -14.216   8.667
 1192    HB3  GLN  44           HB1      GLN  44 -12.275 -15.719   8.379
 1193    HG2  GLN  44           HG2      GLN  44 -11.428 -16.170  10.429
 1194    HG3  GLN  44           HG1      GLN  44 -10.099 -16.767   9.439
 1195   HE21  GLN  44          HE21      GLN  44  -9.299 -13.994   8.737
 1196   HE22  GLN  44          HE22      GLN  44  -8.483 -13.393  10.133
 1197    H    LEU  45           HN       LEU  45 -11.983 -16.558   5.486
 1198    HA   LEU  45           HA       LEU  45 -11.923 -19.247   6.171
 1199    HB2  LEU  45           HB2      LEU  45 -13.575 -18.518   4.650
 1200    HB3  LEU  45           HB1      LEU  45 -12.389 -17.816   3.569
 1201    HG   LEU  45           HG       LEU  45 -11.677 -20.453   3.510
 1202   HD11  LEU  45          HD11      LEU  45 -13.726 -21.742   3.211
 1203   HD12  LEU  45          HD12      LEU  45 -14.683 -20.341   3.693
 1204   HD13  LEU  45          HD13      LEU  45 -13.600 -21.111   4.853
 1205   HD21  LEU  45          HD21      LEU  45 -12.766 -20.485   1.314
 1206   HD22  LEU  45          HD22      LEU  45 -11.896 -18.975   1.591
 1207   HD23  LEU  45          HD23      LEU  45 -13.654 -19.022   1.739
 1208    H    LEU  46           HN       LEU  46  -9.834 -17.438   3.957
 1209    HA   LEU  46           HA       LEU  46  -8.044 -19.772   3.837
 1210    HB2  LEU  46           HB2      LEU  46  -8.461 -17.538   1.864
 1211    HB3  LEU  46           HB1      LEU  46  -7.195 -18.743   1.722
 1212    HG   LEU  46           HG       LEU  46 -10.136 -19.397   1.769
 1213   HD11  LEU  46          HD11      LEU  46  -9.828 -18.164  -0.216
 1214   HD12  LEU  46          HD12      LEU  46  -9.760 -19.861  -0.686
 1215   HD13  LEU  46          HD13      LEU  46  -8.271 -18.928  -0.538
 1216   HD21  LEU  46          HD21      LEU  46  -7.725 -21.030   1.003
 1217   HD22  LEU  46          HD22      LEU  46  -9.404 -21.564   0.929
 1218   HD23  LEU  46          HD23      LEU  46  -8.660 -21.206   2.488
 1219    H    GLN  47           HN       GLN  47  -7.653 -16.280   3.225
 1220    HA   GLN  47           HA       GLN  47  -6.040 -14.805   3.860
 1221    HB2  GLN  47           HB2      GLN  47  -7.133 -15.743   6.138
 1222    HB3  GLN  47           HB1      GLN  47  -5.467 -16.250   6.385
 1223    HG2  GLN  47           HG2      GLN  47  -6.374 -13.443   5.800
 1224    HG3  GLN  47           HG1      GLN  47  -5.936 -14.072   7.387
 1225   HE21  GLN  47          HE21      GLN  47  -4.774 -13.064   4.276
 1226   HE22  GLN  47          HE22      GLN  47  -3.101 -12.980   4.698
 1227    H    ARG  48           HN       ARG  48  -5.211 -16.966   2.266
 1228    HA   ARG  48           HA       ARG  48  -2.380 -16.961   2.893
 1229    HB2  ARG  48           HB2      ARG  48  -2.287 -19.473   2.401
 1230    HB3  ARG  48           HB1      ARG  48  -2.866 -18.980   3.985
 1231    HG2  ARG  48           HG2      ARG  48  -5.175 -19.282   3.211
 1232    HG3  ARG  48           HG1      ARG  48  -4.561 -19.834   1.652
 1233    HD2  ARG  48           HD2      ARG  48  -4.016 -21.132   4.320
 1234    HD3  ARG  48           HD1      ARG  48  -5.167 -21.708   3.115
 1235    HE   ARG  48           HE       ARG  48  -2.695 -21.506   1.862
 1236   HH11  ARG  48          HH11      ARG  48  -4.152 -23.325   4.453
 1237   HH12  ARG  48          HH12      ARG  48  -3.139 -24.711   4.221
 1238   HH21  ARG  48          HH21      ARG  48  -1.358 -23.327   1.550
 1239   HH22  ARG  48          HH22      ARG  48  -1.551 -24.712   2.573
 1240    H    ASP   1           HT1      ASP   1   6.050  16.081 -16.119
 1241    HA   ASP   1           HA       ASP   1   5.727  15.726 -13.766
 1242    HB2  ASP   1           HB2      ASP   1   3.466  14.668 -15.480
 1243    HB3  ASP   1           HB1      ASP   1   3.299  15.274 -13.835
 1244    H    GLU   2           HN       GLU   2   6.874  14.218 -12.641
 1245    HA   GLU   2           HA       GLU   2   5.556  11.792 -11.963
 1246    HB2  GLU   2           HB2      GLU   2   7.274  10.217 -12.730
 1247    HB3  GLU   2           HB1      GLU   2   6.514  11.042 -14.084
 1248    HG2  GLU   2           HG2      GLU   2   8.430  12.544 -14.248
 1249    HG3  GLU   2           HG1      GLU   2   9.192  11.721 -12.888
 1250    H    ASP   3           HN       ASP   3   7.234  14.307 -11.103
 1251    HA   ASP   3           HA       ASP   3   9.259  13.133  -9.429
 1252    HB2  ASP   3           HB2      ASP   3   8.142  15.946  -9.419
 1253    HB3  ASP   3           HB1      ASP   3   9.612  15.413  -8.610
 1254    H    THR   4           HN       THR   4   8.510  15.114  -7.198
 1255    HA   THR   4           HA       THR   4   7.063  13.213  -5.648
 1256    HB   THR   4           HB       THR   4   7.171  15.929  -4.577
 1257    HG1  THR   4           HG1      THR   4   9.647  14.675  -4.555
 1258   HG21  THR   4          HG21      THR   4   8.085  14.741  -2.619
 1259   HG22  THR   4          HG22      THR   4   8.122  13.251  -3.566
 1260   HG23  THR   4          HG23      THR   4   6.579  14.018  -3.189
 1261    H    TYR   5           HN       TYR   5   5.064  13.305  -4.833
 1262    HA   TYR   5           HA       TYR   5   3.151  15.086  -6.194
 1263    HB2  TYR   5           HB2      TYR   5   3.079  12.138  -5.732
 1264    HB3  TYR   5           HB1      TYR   5   1.618  13.073  -6.034
 1265    HD1  TYR   5           HD1      TYR   5   1.518  14.456  -8.175
 1266    HD2  TYR   5           HD2      TYR   5   4.410  11.411  -7.508
 1267    HE1  TYR   5           HE1      TYR   5   1.908  14.307 -10.596
 1268    HE2  TYR   5           HE2      TYR   5   4.809  11.250  -9.928
 1269    HH   TYR   5           HH       TYR   5   3.664  13.577 -12.131
 1270    H    TYR   6           HN       TYR   6   1.067  15.290  -4.928
 1271    HA   TYR   6           HA       TYR   6   1.523  14.731  -2.073
 1272    HB2  TYR   6           HB2      TYR   6  -0.410  16.810  -3.113
 1273    HB3  TYR   6           HB1      TYR   6   0.213  16.638  -1.481
 1274    HD1  TYR   6           HD1      TYR   6   3.121  16.264  -2.163
 1275    HD2  TYR   6           HD2      TYR   6   0.239  19.044  -3.592
 1276    HE1  TYR   6           HE1      TYR   6   4.921  17.855  -2.648
 1277    HE2  TYR   6           HE2      TYR   6   2.034  20.652  -4.091
 1278    HH   TYR   6           HH       TYR   6   5.318  19.795  -4.116
 1279    H    LEU   7           HN       LEU   7   0.254  13.427  -1.065
 1280    HA   LEU   7           HA       LEU   7  -2.137  12.385  -2.463
 1281    HB2  LEU   7           HB2      LEU   7   0.175  11.127  -1.661
 1282    HB3  LEU   7           HB1      LEU   7  -0.894  10.825  -0.321
 1283    HG   LEU   7           HG       LEU   7  -2.097   9.290  -1.450
 1284   HD11  LEU   7          HD11      LEU   7  -3.239  10.030  -3.207
 1285   HD12  LEU   7          HD12      LEU   7  -1.870   9.450  -4.165
 1286   HD13  LEU   7          HD13      LEU   7  -1.961  11.147  -3.680
 1287   HD21  LEU   7          HD21      LEU   7   0.395   9.334  -3.122
 1288   HD22  LEU   7          HD22      LEU   7  -0.656   7.948  -2.827
 1289   HD23  LEU   7          HD23      LEU   7   0.268   8.656  -1.499
 1290    H    GLN   8           HN       GLN   8  -3.949  13.223  -1.466
 1291    HA   GLN   8           HA       GLN   8  -3.735  13.894   1.330
 1292    HB2  GLN   8           HB2      GLN   8  -5.098  15.070  -0.705
 1293    HB3  GLN   8           HB1      GLN   8  -6.372  14.132   0.065
 1294    HG2  GLN   8           HG2      GLN   8  -5.444  15.197   2.245
 1295    HG3  GLN   8           HG1      GLN   8  -4.767  16.390   1.140
 1296   HE21  GLN   8          HE21      GLN   8  -7.134  15.985  -0.682
 1297   HE22  GLN   8          HE22      GLN   8  -8.404  16.885   0.061
 1298    H    VAL   9           HN       VAL   9  -4.166  12.502   2.862
 1299    HA   VAL   9           HA       VAL   9  -6.005  10.336   2.220
 1300    HB   VAL   9           HB       VAL   9  -3.326  10.190   3.550
 1301   HG11  VAL   9          HG11      VAL   9  -3.933   7.862   4.280
 1302   HG12  VAL   9          HG12      VAL   9  -5.619   8.304   4.011
 1303   HG13  VAL   9          HG13      VAL   9  -4.661   9.169   5.212
 1304   HG21  VAL   9          HG21      VAL   9  -4.680   8.376   1.563
 1305   HG22  VAL   9          HG22      VAL   9  -2.988   8.334   2.061
 1306   HG23  VAL   9          HG23      VAL   9  -3.603   9.708   1.143
 1307    H    ARG  10           HN       ARG  10  -7.642  10.023   3.578
 1308    HA   ARG  10           HA       ARG  10  -7.697  11.721   5.973
 1309    HB2  ARG  10           HB2      ARG  10  -9.524  11.741   4.115
 1310    HB3  ARG  10           HB1      ARG  10 -10.082  10.253   4.865
 1311    HG2  ARG  10           HG2      ARG  10  -9.686  12.716   6.510
 1312    HG3  ARG  10           HG1      ARG  10 -11.149  12.502   5.548
 1313    HD2  ARG  10           HD2      ARG  10 -11.527  10.337   6.688
 1314    HD3  ARG  10           HD1      ARG  10 -10.122  10.658   7.703
 1315    HE   ARG  10           HE       ARG  10 -12.010  12.787   7.817
 1316   HH11  ARG  10          HH11      ARG  10 -11.349   9.581   9.013
 1317   HH12  ARG  10          HH12      ARG  10 -12.266   9.796  10.466
 1318   HH21  ARG  10          HH21      ARG  10 -13.218  13.077   9.726
 1319   HH22  ARG  10          HH22      ARG  10 -13.329  11.783  10.871
 1320    H    GLY  11           HN       GLY  11  -7.927  10.946   7.990
 1321    HA2  GLY  11           HA2      GLY  11  -8.390   9.326   9.641
 1322    HA3  GLY  11           HA1      GLY  11  -8.479   8.102   8.382
 1323    H    ARG  12           HN       ARG  12  -6.771   8.949  10.980
 1324    HA   ARG  12           HA       ARG  12  -4.100   8.956  10.304
 1325    HB2  ARG  12           HB2      ARG  12  -5.265   9.220  12.599
 1326    HB3  ARG  12           HB1      ARG  12  -5.085   7.475  12.720
 1327    HG2  ARG  12           HG2      ARG  12  -3.246   8.455  13.843
 1328    HG3  ARG  12           HG1      ARG  12  -2.637   7.789  12.328
 1329    HD2  ARG  12           HD2      ARG  12  -2.629   9.974  11.315
 1330    HD3  ARG  12           HD1      ARG  12  -3.387  10.677  12.743
 1331    HE   ARG  12           HE       ARG  12  -1.213   9.777  13.864
 1332   HH11  ARG  12          HH11      ARG  12  -1.502  11.222  10.706
 1333   HH12  ARG  12          HH12      ARG  12   0.104  11.870  10.714
 1334   HH21  ARG  12          HH21      ARG  12   0.904  10.625  13.880
 1335   HH22  ARG  12          HH22      ARG  12   1.471  11.529  12.516
 1336    H    GLU  13           HN       GLU  13  -6.099   6.132  10.974
 1337    HA   GLU  13           HA       GLU  13  -4.176   4.155  10.789
 1338    HB2  GLU  13           HB2      GLU  13  -6.606   3.856  11.416
 1339    HB3  GLU  13           HB1      GLU  13  -6.975   3.856   9.696
 1340    HG2  GLU  13           HG2      GLU  13  -6.864   1.607  10.315
 1341    HG3  GLU  13           HG1      GLU  13  -5.347   1.945   9.483
 1342    H    ASN  14           HN       ASN  14  -6.032   5.632   8.166
 1343    HA   ASN  14           HA       ASN  14  -4.981   4.051   6.052
 1344    HB2  ASN  14           HB2      ASN  14  -7.096   5.238   5.843
 1345    HB3  ASN  14           HB1      ASN  14  -6.289   6.780   6.092
 1346   HD21  ASN  14          HD21      ASN  14  -7.892   6.379   3.941
 1347   HD22  ASN  14          HD22      ASN  14  -6.944   6.336   2.497
 1348    H    PHE  15           HN       PHE  15  -4.185   7.272   7.331
 1349    HA   PHE  15           HA       PHE  15  -2.187   7.862   5.460
 1350    HB2  PHE  15           HB2      PHE  15  -3.335   9.538   6.870
 1351    HB3  PHE  15           HB1      PHE  15  -2.544   8.877   8.294
 1352    HD1  PHE  15           HD2      PHE  15  -1.353   9.890   4.899
 1353    HD2  PHE  15           HD1      PHE  15  -0.998  10.323   9.120
 1354    HE1  PHE  15           HE2      PHE  15   0.497  11.459   4.577
 1355    HE2  PHE  15           HE1      PHE  15   0.876  11.893   8.796
 1356    HZ   PHE  15           HZ       PHE  15   1.622  12.459   6.516
 1357    H    GLU  16           HN       GLU  16  -1.847   6.608   8.795
 1358    HA   GLU  16           HA       GLU  16   0.909   6.383   8.798
 1359    HB2  GLU  16           HB2      GLU  16  -1.157   4.683  10.199
 1360    HB3  GLU  16           HB1      GLU  16   0.568   4.568  10.518
 1361    HG2  GLU  16           HG2      GLU  16  -1.126   7.027  10.893
 1362    HG3  GLU  16           HG1      GLU  16  -0.574   5.946  12.172
 1363    H    ILE  17           HN       ILE  17  -1.448   4.174   7.434
 1364    HA   ILE  17           HA       ILE  17   0.411   2.013   7.013
 1365    HB   ILE  17           HB       ILE  17  -2.407   2.500   6.388
 1366   HG12  ILE  17          HG12      ILE  17  -0.975  -0.116   6.753
 1367   HG13  ILE  17          HG11      ILE  17  -1.271   0.952   8.117
 1368   HG21  ILE  17          HG21      ILE  17  -2.510   0.832   4.588
 1369   HG22  ILE  17          HG22      ILE  17  -0.747   0.784   4.543
 1370   HG23  ILE  17          HG23      ILE  17  -1.602   2.263   4.097
 1371   HD11  ILE  17          HD11      ILE  17  -3.628   0.743   7.842
 1372   HD12  ILE  17          HD12      ILE  17  -2.927  -0.879   7.818
 1373   HD13  ILE  17          HD13      ILE  17  -3.425  -0.108   6.311
 1374    H    LEU  18           HN       LEU  18  -0.832   4.719   5.095
 1375    HA   LEU  18           HA       LEU  18   0.545   3.973   2.656
 1376    HB2  LEU  18           HB2      LEU  18  -1.633   5.588   3.392
 1377    HB3  LEU  18           HB1      LEU  18  -0.403   6.662   2.768
 1378    HG   LEU  18           HG       LEU  18  -0.266   5.083   0.765
 1379   HD11  LEU  18          HD11      LEU  18  -2.929   4.217   1.857
 1380   HD12  LEU  18          HD12      LEU  18  -1.472   3.226   1.809
 1381   HD13  LEU  18          HD13      LEU  18  -2.231   3.752   0.307
 1382   HD21  LEU  18          HD21      LEU  18  -2.065   6.193  -0.376
 1383   HD22  LEU  18          HD22      LEU  18  -1.311   7.333   0.740
 1384   HD23  LEU  18          HD23      LEU  18  -2.850   6.579   1.155
 1385    H    MET  19           HN       MET  19   1.147   5.999   5.451
 1386    HA   MET  19           HA       MET  19   3.200   7.533   4.191
 1387    HB2  MET  19           HB2      MET  19   1.719   8.055   6.360
 1388    HB3  MET  19           HB1      MET  19   3.045   7.247   7.177
 1389    HG2  MET  19           HG2      MET  19   3.128   9.780   5.580
 1390    HG3  MET  19           HG1      MET  19   3.442   9.560   7.295
 1391    HE1  MET  19           HE1      MET  19   5.681  11.156   6.661
 1392    HE2  MET  19           HE2      MET  19   5.131  11.073   4.986
 1393    HE3  MET  19           HE3      MET  19   6.801  10.668   5.388
 1394    H    LYS  20           HN       LYS  20   3.154   4.739   6.422
 1395    HA   LYS  20           HA       LYS  20   5.999   4.490   6.563
 1396    HB2  LYS  20           HB2      LYS  20   4.144   3.403   8.037
 1397    HB3  LYS  20           HB1      LYS  20   4.031   2.216   6.748
 1398    HG2  LYS  20           HG2      LYS  20   6.666   2.834   8.020
 1399    HG3  LYS  20           HG1      LYS  20   5.528   1.726   8.787
 1400    HD2  LYS  20           HD2      LYS  20   5.468   0.496   6.560
 1401    HD3  LYS  20           HD1      LYS  20   6.870   1.467   6.109
 1402    HE2  LYS  20           HE2      LYS  20   6.703  -0.323   8.528
 1403    HE3  LYS  20           HE1      LYS  20   7.487  -0.746   7.007
 1404    HZ1  LYS  20           HZ1      LYS  20   9.012   1.106   7.325
 1405    HZ2  LYS  20           HZ2      LYS  20   9.089   0.034   8.631
 1406    HZ3  LYS  20           HZ3      LYS  20   8.262   1.500   8.790
 1407    H    LEU  21           HN       LEU  21   3.483   3.716   4.366
 1408    HA   LEU  21           HA       LEU  21   4.983   1.877   2.776
 1409    HB2  LEU  21           HB2      LEU  21   2.400   2.247   3.074
 1410    HB3  LEU  21           HB1      LEU  21   2.614   3.403   1.777
 1411    HG   LEU  21           HG       LEU  21   3.593   1.540   0.416
 1412   HD11  LEU  21          HD11      LEU  21   4.114   0.133   2.441
 1413   HD12  LEU  21          HD12      LEU  21   3.303  -0.712   1.126
 1414   HD13  LEU  21          HD13      LEU  21   2.389  -0.215   2.547
 1415   HD21  LEU  21          HD21      LEU  21   1.065   2.387   0.733
 1416   HD22  LEU  21          HD22      LEU  21   0.870   0.685   1.153
 1417   HD23  LEU  21          HD23      LEU  21   1.535   1.137  -0.416
 1418    H    LYS  22           HN       LYS  22   4.155   5.287   2.531
 1419    HA   LYS  22           HA       LYS  22   5.237   5.851   0.027
 1420    HB2  LYS  22           HB2      LYS  22   4.050   7.628   0.919
 1421    HB3  LYS  22           HB1      LYS  22   4.706   7.396   2.530
 1422    HG2  LYS  22           HG2      LYS  22   6.816   8.184   0.772
 1423    HG3  LYS  22           HG1      LYS  22   5.456   9.296   0.598
 1424    HD2  LYS  22           HD2      LYS  22   5.445   9.214   3.215
 1425    HD3  LYS  22           HD1      LYS  22   7.115   8.686   3.005
 1426    HE2  LYS  22           HE2      LYS  22   5.974  11.179   1.761
 1427    HE3  LYS  22           HE1      LYS  22   6.806  11.155   3.315
 1428    HZ1  LYS  22           HZ1      LYS  22   8.245  11.770   1.422
 1429    HZ2  LYS  22           HZ2      LYS  22   8.013  10.229   0.768
 1430    HZ3  LYS  22           HZ3      LYS  22   8.795  10.404   2.256
 1431    H    GLU  23           HN       GLU  23   6.602   5.499   3.191
 1432    HA   GLU  23           HA       GLU  23   9.261   6.280   2.638
 1433    HB2  GLU  23           HB2      GLU  23   8.259   6.087   4.905
 1434    HB3  GLU  23           HB1      GLU  23   8.192   4.347   4.704
 1435    HG2  GLU  23           HG2      GLU  23  10.592   4.226   4.623
 1436    HG3  GLU  23           HG1      GLU  23  10.710   5.978   4.712
 1437    H    SER  24           HN       SER  24   7.722   3.026   2.643
 1438    HA   SER  24           HA       SER  24  10.011   1.612   1.906
 1439    HB2  SER  24           HB2      SER  24   8.495  -0.193   1.272
 1440    HB3  SER  24           HB1      SER  24   8.020   0.532   2.803
 1441    HG   SER  24           HG       SER  24   6.379   0.119   1.010
 1442    H    LEU  25           HN       LEU  25   7.465   2.973  -0.222
 1443    HA   LEU  25           HA       LEU  25   8.573   1.884  -2.642
 1444    HB2  LEU  25           HB2      LEU  25   6.533   3.961  -1.969
 1445    HB3  LEU  25           HB1      LEU  25   7.202   3.922  -3.587
 1446    HG   LEU  25           HG       LEU  25   5.920   1.500  -2.339
 1447   HD11  LEU  25          HD11      LEU  25   4.342   3.415  -2.364
 1448   HD12  LEU  25          HD12      LEU  25   3.860   2.089  -3.421
 1449   HD13  LEU  25          HD13      LEU  25   4.587   3.545  -4.107
 1450   HD21  LEU  25          HD21      LEU  25   7.411   1.306  -4.379
 1451   HD22  LEU  25          HD22      LEU  25   6.193   2.256  -5.239
 1452   HD23  LEU  25          HD23      LEU  25   5.767   0.686  -4.553
 1453    H    GLU  26           HN       GLU  26   8.825   5.014  -1.024
 1454    HA   GLU  26           HA       GLU  26  10.544   6.062  -3.036
 1455    HB2  GLU  26           HB2      GLU  26   9.811   7.002  -0.277
 1456    HB3  GLU  26           HB1      GLU  26  11.084   7.810  -1.183
 1457    HG2  GLU  26           HG2      GLU  26   9.462   8.186  -3.021
 1458    HG3  GLU  26           HG1      GLU  26   8.204   7.504  -1.992
 1459    H    LEU  27           HN       LEU  27  11.144   4.404   0.026
 1460    HA   LEU  27           HA       LEU  27  13.971   4.880   0.021
 1461    HB2  LEU  27           HB2      LEU  27  12.130   3.075   1.519
 1462    HB3  LEU  27           HB1      LEU  27  13.844   2.717   1.517
 1463    HG   LEU  27           HG       LEU  27  12.649   5.334   2.437
 1464   HD11  LEU  27          HD11      LEU  27  13.735   3.036   4.057
 1465   HD12  LEU  27          HD12      LEU  27  12.031   3.457   3.895
 1466   HD13  LEU  27          HD13      LEU  27  13.144   4.574   4.685
 1467   HD21  LEU  27          HD21      LEU  27  15.444   4.225   2.665
 1468   HD22  LEU  27          HD22      LEU  27  14.874   5.753   3.340
 1469   HD23  LEU  27          HD23      LEU  27  14.935   5.529   1.592
 1470    H    MET  28           HN       MET  28  11.934   2.791  -1.769
 1471    HA   MET  28           HA       MET  28  13.899   0.775  -2.136
 1472    HB2  MET  28           HB2      MET  28  11.433   0.406  -2.537
 1473    HB3  MET  28           HB1      MET  28  11.583   1.372  -4.000
 1474    HG2  MET  28           HG2      MET  28  13.501  -0.366  -4.509
 1475    HG3  MET  28           HG1      MET  28  12.553  -1.367  -3.421
 1476    HE1  MET  28           HE1      MET  28  10.494  -2.361  -3.790
 1477    HE2  MET  28           HE2      MET  28   9.476  -2.303  -5.233
 1478    HE3  MET  28           HE3      MET  28   9.466  -0.962  -4.092
 1479    H    GLU  29           HN       GLU  29  13.770   3.950  -3.247
 1480    HA   GLU  29           HA       GLU  29  15.105   3.442  -5.780
 1481    HB2  GLU  29           HB2      GLU  29  14.733   5.662  -6.264
 1482    HB3  GLU  29           HB1      GLU  29  13.337   5.259  -5.274
 1483    HG2  GLU  29           HG2      GLU  29  14.553   6.212  -3.312
 1484    HG3  GLU  29           HG1      GLU  29  15.801   6.760  -4.427
 1485    H    LEU  30           HN       LEU  30  15.983   4.048  -2.488
 1486    HA   LEU  30           HA       LEU  30  18.585   5.106  -3.323
 1487    HB2  LEU  30           HB2      LEU  30  18.692   6.264  -1.414
 1488    HB3  LEU  30           HB1      LEU  30  16.959   6.032  -1.412
 1489    HG   LEU  30           HG       LEU  30  18.939   4.364   0.127
 1490   HD11  LEU  30          HD11      LEU  30  17.012   6.494   1.046
 1491   HD12  LEU  30          HD12      LEU  30  18.768   6.642   0.985
 1492   HD13  LEU  30          HD13      LEU  30  18.018   5.494   2.093
 1493   HD21  LEU  30          HD21      LEU  30  17.056   3.012  -0.367
 1494   HD22  LEU  30          HD22      LEU  30  15.941   4.329  -0.003
 1495   HD23  LEU  30          HD23      LEU  30  16.867   3.575   1.293
 1496    H    VAL  31           HN       VAL  31  17.387   2.238  -3.159
 1497    HA   VAL  31           HA       VAL  31  19.568   1.018  -1.619
 1498    HB   VAL  31           HB       VAL  31  17.432   0.091  -1.017
 1499   HG11  VAL  31          HG11      VAL  31  15.981  -1.025  -2.647
 1500   HG12  VAL  31          HG12      VAL  31  17.048  -0.499  -3.949
 1501   HG13  VAL  31          HG13      VAL  31  16.164   0.693  -2.997
 1502   HG21  VAL  31          HG21      VAL  31  17.789  -2.316  -1.978
 1503   HG22  VAL  31          HG22      VAL  31  18.968  -1.611  -0.876
 1504   HG23  VAL  31          HG23      VAL  31  19.280  -1.624  -2.611
 1505    HA   PRO  32           HA       PRO  32  21.958   0.577  -5.364
 1506    HB2  PRO  32           HB2      PRO  32  22.641  -1.979  -3.943
 1507    HB3  PRO  32           HB1      PRO  32  23.709  -0.850  -4.785
 1508    HG2  PRO  32           HG2      PRO  32  23.500  -0.844  -2.112
 1509    HG3  PRO  32           HG1      PRO  32  23.729   0.653  -3.033
 1510    HD2  PRO  32           HD2      PRO  32  21.338  -0.323  -1.605
 1511    HD3  PRO  32           HD1      PRO  32  21.770   1.332  -2.082
 1512    H    GLN  33           HN       GLN  33  21.185  -0.127  -7.240
 1513    HA   GLN  33           HA       GLN  33  18.966  -1.661  -7.628
 1514    HB2  GLN  33           HB2      GLN  33  20.014  -0.207  -9.325
 1515    HB3  GLN  33           HB1      GLN  33  21.273  -1.411  -9.556
 1516    HG2  GLN  33           HG2      GLN  33  19.644  -1.600 -11.308
 1517    HG3  GLN  33           HG1      GLN  33  19.564  -3.027 -10.275
 1518   HE21  GLN  33          HE21      GLN  33  17.778  -3.324  -8.937
 1519   HE22  GLN  33          HE22      GLN  33  16.301  -2.459  -9.173
 1520    HA   PRO  34           HA       PRO  34  21.874  -5.510  -8.588
 1521    HB2  PRO  34           HB2      PRO  34  23.802  -5.024  -6.363
 1522    HB3  PRO  34           HB1      PRO  34  24.075  -5.762  -7.945
 1523    HG2  PRO  34           HG2      PRO  34  24.877  -3.273  -7.455
 1524    HG3  PRO  34           HG1      PRO  34  24.186  -3.714  -9.028
 1525    HD2  PRO  34           HD2      PRO  34  22.946  -2.213  -6.764
 1526    HD3  PRO  34           HD1      PRO  34  22.755  -1.980  -8.513
 1527    H    LEU  35           HN       LEU  35  21.132  -4.076  -5.481
 1528    HA   LEU  35           HA       LEU  35  20.847  -6.581  -4.085
 1529    HB2  LEU  35           HB2      LEU  35  20.619  -3.702  -3.431
 1530    HB3  LEU  35           HB1      LEU  35  19.631  -4.788  -2.479
 1531    HG   LEU  35           HG       LEU  35  22.502  -5.465  -2.785
 1532   HD11  LEU  35          HD11      LEU  35  21.521  -3.329  -0.896
 1533   HD12  LEU  35          HD12      LEU  35  22.498  -3.039  -2.336
 1534   HD13  LEU  35          HD13      LEU  35  23.159  -3.976  -0.996
 1535   HD21  LEU  35          HD21      LEU  35  20.549  -5.609  -0.490
 1536   HD22  LEU  35          HD22      LEU  35  22.197  -6.239  -0.485
 1537   HD23  LEU  35          HD23      LEU  35  20.990  -6.938  -1.563
 1538    H    VAL  36           HN       VAL  36  18.759  -4.338  -5.780
 1539    HA   VAL  36           HA       VAL  36  16.323  -5.388  -4.740
 1540    HB   VAL  36           HB       VAL  36  16.905  -3.763  -7.220
 1541   HG11  VAL  36          HG11      VAL  36  14.447  -3.429  -7.372
 1542   HG12  VAL  36          HG12      VAL  36  14.240  -4.692  -6.159
 1543   HG13  VAL  36          HG13      VAL  36  14.957  -5.080  -7.723
 1544   HG21  VAL  36          HG21      VAL  36  15.761  -1.983  -5.961
 1545   HG22  VAL  36          HG22      VAL  36  17.196  -2.576  -5.124
 1546   HG23  VAL  36          HG23      VAL  36  15.592  -3.081  -4.591
 1547    H    ASP  37           HN       ASP  37  18.169  -5.938  -7.713
 1548    HA   ASP  37           HA       ASP  37  16.499  -7.846  -8.893
 1549    HB2  ASP  37           HB2      ASP  37  19.520  -7.658  -9.004
 1550    HB3  ASP  37           HB1      ASP  37  18.510  -8.580 -10.114
 1551    H    SER  38           HN       SER  38  19.218  -8.247  -6.594
 1552    HA   SER  38           HA       SER  38  19.166 -11.016  -6.517
 1553    HB2  SER  38           HB2      SER  38  20.995  -9.739  -5.547
 1554    HB3  SER  38           HB1      SER  38  19.918  -9.081  -4.315
 1555    HG   SER  38           HG       SER  38  20.511 -10.756  -3.201
 1556    H    TYR  39           HN       TYR  39  17.409  -8.661  -4.535
 1557    HA   TYR  39           HA       TYR  39  16.161 -10.439  -2.772
 1558    HB2  TYR  39           HB2      TYR  39  16.013  -8.217  -2.117
 1559    HB3  TYR  39           HB1      TYR  39  15.556  -7.665  -3.726
 1560    HD1  TYR  39           HD2      TYR  39  14.318  -9.420  -0.711
 1561    HD2  TYR  39           HD1      TYR  39  13.279  -7.496  -4.359
 1562    HE1  TYR  39           HE2      TYR  39  11.953  -9.461  -0.053
 1563    HE2  TYR  39           HE1      TYR  39  10.912  -7.541  -3.719
 1564    HH   TYR  39           HH       TYR  39   9.428  -8.817  -2.228
 1565    H    ARG  40           HN       ARG  40  15.064  -9.085  -5.859
 1566    HA   ARG  40           HA       ARG  40  12.525 -10.127  -5.944
 1567    HB2  ARG  40           HB2      ARG  40  14.502  -9.498  -8.119
 1568    HB3  ARG  40           HB1      ARG  40  12.877 -10.063  -8.486
 1569    HG2  ARG  40           HG2      ARG  40  11.935  -8.152  -7.305
 1570    HG3  ARG  40           HG1      ARG  40  13.561  -7.592  -6.907
 1571    HD2  ARG  40           HD2      ARG  40  14.063  -7.357  -9.288
 1572    HD3  ARG  40           HD1      ARG  40  12.444  -7.927  -9.689
 1573    HE   ARG  40           HE       ARG  40  12.162  -5.733  -8.002
 1574   HH11  ARG  40          HH11      ARG  40  13.396  -6.438 -11.184
 1575   HH12  ARG  40          HH12      ARG  40  13.043  -4.862 -11.810
 1576   HH21  ARG  40          HH21      ARG  40  11.695  -3.654  -8.819
 1577   HH22  ARG  40          HH22      ARG  40  12.079  -3.280 -10.466
 1578    H    GLN  41           HN       GLN  41  15.559 -11.584  -6.984
 1579    HA   GLN  41           HA       GLN  41  14.545 -13.945  -8.088
 1580    HB2  GLN  41           HB2      GLN  41  17.164 -13.520  -6.635
 1581    HB3  GLN  41           HB1      GLN  41  16.772 -14.954  -7.574
 1582    HG2  GLN  41           HG2      GLN  41  16.439 -13.443  -9.549
 1583    HG3  GLN  41           HG1      GLN  41  17.112 -12.142  -8.569
 1584   HE21  GLN  41          HE21      GLN  41  19.294 -12.172  -8.042
 1585   HE22  GLN  41          HE22      GLN  41  20.425 -13.199  -8.847
 1586    H    GLN  42           HN       GLN  42  15.578 -13.261  -4.757
 1587    HA   GLN  42           HA       GLN  42  14.980 -15.789  -3.684
 1588    HB2  GLN  42           HB2      GLN  42  16.341 -14.020  -2.559
 1589    HB3  GLN  42           HB1      GLN  42  14.856 -13.130  -2.251
 1590    HG2  GLN  42           HG2      GLN  42  15.433 -14.305  -0.269
 1591    HG3  GLN  42           HG1      GLN  42  14.022 -15.092  -0.975
 1592   HE21  GLN  42          HE21      GLN  42  17.423 -15.353  -0.314
 1593   HE22  GLN  42          HE22      GLN  42  17.560 -17.048  -0.618
 1594    H    GLN  43           HN       GLN  43  12.993 -13.050  -4.457
 1595    HA   GLN  43           HA       GLN  43  10.702 -13.926  -2.962
 1596    HB2  GLN  43           HB2      GLN  43  10.851 -11.592  -3.287
 1597    HB3  GLN  43           HB1      GLN  43  11.187 -11.767  -5.003
 1598    HG2  GLN  43           HG2      GLN  43   8.580 -12.769  -4.026
 1599    HG3  GLN  43           HG1      GLN  43   8.818 -11.023  -4.067
 1600   HE21  GLN  43          HE21      GLN  43   9.137  -9.997  -6.048
 1601   HE22  GLN  43          HE22      GLN  43   8.729 -10.753  -7.547
 1602    H    GLN  44           HN       GLN  44  11.853 -14.191  -6.267
 1603    HA   GLN  44           HA       GLN  44   9.459 -15.217  -7.385
 1604    HB2  GLN  44           HB2      GLN  44  11.404 -14.218  -8.664
 1605    HB3  GLN  44           HB1      GLN  44  12.268 -15.722  -8.376
 1606    HG2  GLN  44           HG2      GLN  44  11.420 -16.171 -10.426
 1607    HG3  GLN  44           HG1      GLN  44  10.091 -16.769  -9.435
 1608   HE21  GLN  44          HE21      GLN  44   9.293 -13.995  -8.731
 1609   HE22  GLN  44          HE22      GLN  44   8.475 -13.392 -10.124
 1610    H    LEU  45           HN       LEU  45  11.976 -16.561  -5.484
 1611    HA   LEU  45           HA       LEU  45  11.915 -19.251  -6.167
 1612    HB2  LEU  45           HB2      LEU  45  13.567 -18.521  -4.646
 1613    HB3  LEU  45           HB1      LEU  45  12.380 -17.819  -3.566
 1614    HG   LEU  45           HG       LEU  45  11.667 -20.456  -3.507
 1615   HD11  LEU  45          HD11      LEU  45  13.717 -21.746  -3.207
 1616   HD12  LEU  45          HD12      LEU  45  14.673 -20.345  -3.691
 1617   HD13  LEU  45          HD13      LEU  45  13.589 -21.116  -4.849
 1618   HD21  LEU  45          HD21      LEU  45  12.755 -20.490  -1.312
 1619   HD22  LEU  45          HD22      LEU  45  11.886 -18.979  -1.589
 1620   HD23  LEU  45          HD23      LEU  45  13.644 -19.026  -1.735
 1621    H    LEU  46           HN       LEU  46   9.826 -17.441  -3.955
 1622    HA   LEU  46           HA       LEU  46   8.037 -19.774  -3.834
 1623    HB2  LEU  46           HB2      LEU  46   8.454 -17.540  -1.862
 1624    HB3  LEU  46           HB1      LEU  46   7.187 -18.745  -1.720
 1625    HG   LEU  46           HG       LEU  46  10.128 -19.401  -1.767
 1626   HD11  LEU  46          HD11      LEU  46   9.821 -18.167   0.219
 1627   HD12  LEU  46          HD12      LEU  46   9.751 -19.865   0.688
 1628   HD13  LEU  46          HD13      LEU  46   8.263 -18.931   0.541
 1629   HD21  LEU  46          HD21      LEU  46   7.715 -21.031  -1.000
 1630   HD22  LEU  46          HD22      LEU  46   9.393 -21.566  -0.926
 1631   HD23  LEU  46          HD23      LEU  46   8.650 -21.207  -2.485
 1632    H    GLN  47           HN       GLN  47   7.646 -16.283  -3.221
 1633    HA   GLN  47           HA       GLN  47   6.034 -14.807  -3.857
 1634    HB2  GLN  47           HB2      GLN  47   7.125 -15.747  -6.135
 1635    HB3  GLN  47           HB1      GLN  47   5.459 -16.251  -6.382
 1636    HG2  GLN  47           HG2      GLN  47   6.368 -13.445  -5.796
 1637    HG3  GLN  47           HG1      GLN  47   5.930 -14.072  -7.383
 1638   HE21  GLN  47          HE21      GLN  47   4.768 -13.064  -4.273
 1639   HE22  GLN  47          HE22      GLN  47   3.095 -12.982  -4.694
 1640    H    ARG  48           HN       ARG  48   5.204 -16.967  -2.262
 1641    HA   ARG  48           HA       ARG  48   2.373 -16.962  -2.890
 1642    HB2  ARG  48           HB2      ARG  48   2.278 -19.473  -2.399
 1643    HB3  ARG  48           HB1      ARG  48   2.858 -18.980  -3.983
 1644    HG2  ARG  48           HG2      ARG  48   5.166 -19.284  -3.207
 1645    HG3  ARG  48           HG1      ARG  48   4.550 -19.835  -1.649
 1646    HD2  ARG  48           HD2      ARG  48   4.008 -21.133  -4.317
 1647    HD3  ARG  48           HD1      ARG  48   5.157 -21.710  -3.111
 1648    HE   ARG  48           HE       ARG  48   2.685 -21.506  -1.861
 1649   HH11  ARG  48          HH11      ARG  48   4.142 -23.325  -4.451
 1650   HH12  ARG  48          HH12      ARG  48   3.129 -24.711  -4.220
 1651   HH21  ARG  48          HH21      ARG  48   1.349 -23.326  -1.547
 1652   HH22  ARG  48          HH22      ARG  48   1.542 -24.712  -2.569
  Start of MODEL    4
    1    H    ASP   1           HT1      ASP   1   7.675 -14.711  15.717
    2    HA   ASP   1           HA       ASP   1   6.434 -15.875  14.030
    3    HB2  ASP   1           HB2      ASP   1   4.607 -16.621  15.539
    4    HB3  ASP   1           HB1      ASP   1   3.997 -14.970  15.582
    5    H    GLU   2           HN       GLU   2   7.415 -14.291  12.827
    6    HA   GLU   2           HA       GLU   2   5.749 -12.124  11.965
    7    HB2  GLU   2           HB2      GLU   2   7.335 -10.316  12.521
    8    HB3  GLU   2           HB1      GLU   2   6.661 -11.072  13.957
    9    HG2  GLU   2           HG2      GLU   2   8.701 -12.351  14.266
   10    HG3  GLU   2           HG1      GLU   2   9.378 -11.649  12.797
   11    H    ASP   3           HN       ASP   3   7.398 -14.500  11.046
   12    HA   ASP   3           HA       ASP   3   9.402 -13.339   9.334
   13    HB2  ASP   3           HB2      ASP   3   8.256 -16.139   9.345
   14    HB3  ASP   3           HB1      ASP   3   9.702 -15.617   8.487
   15    H    THR   4           HN       THR   4   8.597 -15.280   7.104
   16    HA   THR   4           HA       THR   4   7.095 -13.362   5.624
   17    HB   THR   4           HB       THR   4   7.250 -16.058   4.490
   18    HG1  THR   4           HG1      THR   4   9.667 -14.628   4.558
   19   HG21  THR   4          HG21      THR   4   8.047 -13.312   3.522
   20   HG22  THR   4          HG22      THR   4   6.546 -14.161   3.148
   21   HG23  THR   4          HG23      THR   4   8.082 -14.779   2.541
   22    H    TYR   5           HN       TYR   5   5.093 -13.454   4.847
   23    HA   TYR   5           HA       TYR   5   3.225 -15.311   6.162
   24    HB2  TYR   5           HB2      TYR   5   3.068 -12.350   5.781
   25    HB3  TYR   5           HB1      TYR   5   1.648 -13.339   6.111
   26    HD1  TYR   5           HD2      TYR   5   1.641 -14.747   8.228
   27    HD2  TYR   5           HD1      TYR   5   4.463 -11.644   7.527
   28    HE1  TYR   5           HE2      TYR   5   2.111 -14.640  10.637
   29    HE2  TYR   5           HE1      TYR   5   4.940 -11.525   9.935
   30    HH   TYR   5           HH       TYR   5   3.974 -13.907  12.115
   31    H    TYR   6           HN       TYR   6   1.121 -15.501   4.865
   32    HA   TYR   6           HA       TYR   6   1.581 -14.810   2.049
   33    HB2  TYR   6           HB2      TYR   6  -0.353 -16.933   3.002
   34    HB3  TYR   6           HB1      TYR   6   0.303 -16.712   1.385
   35    HD1  TYR   6           HD2      TYR   6   3.190 -16.354   2.079
   36    HD2  TYR   6           HD1      TYR   6   0.311 -19.142   3.498
   37    HE1  TYR   6           HE2      TYR   6   4.993 -17.941   2.570
   38    HE2  TYR   6           HE1      TYR   6   2.107 -20.745   4.002
   39    HH   TYR   6           HH       TYR   6   4.414 -21.211   3.295
   40    H    LEU   7           HN       LEU   7   0.306 -13.459   1.078
   41    HA   LEU   7           HA       LEU   7  -2.100 -12.479   2.489
   42    HB2  LEU   7           HB2      LEU   7   0.201 -11.204   1.654
   43    HB3  LEU   7           HB1      LEU   7  -0.907 -10.886   0.349
   44    HG   LEU   7           HG       LEU   7  -2.091  -9.387   1.541
   45   HD11  LEU   7          HD11      LEU   7  -3.184 -10.195   3.292
   46   HD12  LEU   7          HD12      LEU   7  -1.811  -9.620   4.238
   47   HD13  LEU   7          HD13      LEU   7  -1.880 -11.301   3.710
   48   HD21  LEU   7          HD21      LEU   7   0.297  -8.765   1.554
   49   HD22  LEU   7          HD22      LEU   7   0.412  -9.415   3.190
   50   HD23  LEU   7          HD23      LEU   7  -0.638  -8.036   2.861
   51    H    GLN   8           HN       GLN   8  -3.846 -13.539   1.517
   52    HA   GLN   8           HA       GLN   8  -3.787 -14.008  -1.279
   53    HB2  GLN   8           HB2      GLN   8  -5.126 -15.126   0.808
   54    HB3  GLN   8           HB1      GLN   8  -6.394 -14.178   0.043
   55    HG2  GLN   8           HG2      GLN   8  -5.503 -15.307  -2.131
   56    HG3  GLN   8           HG1      GLN   8  -4.871 -16.501  -1.002
   57   HE21  GLN   8          HE21      GLN   8  -7.234 -15.931   0.807
   58   HE22  GLN   8          HE22      GLN   8  -8.537 -16.806   0.089
   59    H    VAL   9           HN       VAL   9  -4.142 -12.580  -2.776
   60    HA   VAL   9           HA       VAL   9  -5.984 -10.408  -2.151
   61    HB   VAL   9           HB       VAL   9  -3.385 -10.310  -3.666
   62   HG11  VAL   9          HG11      VAL   9  -3.903  -7.957  -4.214
   63   HG12  VAL   9          HG12      VAL   9  -5.556  -8.229  -3.661
   64   HG13  VAL   9          HG13      VAL   9  -4.930  -9.121  -5.049
   65   HG21  VAL   9          HG21      VAL   9  -2.759  -8.645  -2.078
   66   HG22  VAL   9          HG22      VAL   9  -3.410 -10.027  -1.195
   67   HG23  VAL   9          HG23      VAL   9  -4.395  -8.582  -1.424
   68    H    ARG  10           HN       ARG  10  -7.654 -10.093  -3.541
   69    HA   ARG  10           HA       ARG  10  -7.706 -11.853  -5.891
   70    HB2  ARG  10           HB2      ARG  10  -9.540 -11.876  -4.047
   71    HB3  ARG  10           HB1      ARG  10 -10.103 -10.394  -4.805
   72    HG2  ARG  10           HG2      ARG  10  -9.663 -12.829  -6.470
   73    HG3  ARG  10           HG1      ARG  10 -11.121 -12.685  -5.488
   74    HD2  ARG  10           HD2      ARG  10 -11.651 -10.565  -6.590
   75    HD3  ARG  10           HD1      ARG  10 -10.189 -10.704  -7.566
   76    HE   ARG  10           HE       ARG  10 -11.617 -13.016  -8.015
   77   HH11  ARG  10          HH11      ARG  10 -12.146  -9.595  -8.425
   78   HH12  ARG  10          HH12      ARG  10 -13.205  -9.792  -9.782
   79   HH21  ARG  10          HH21      ARG  10 -13.007 -13.282  -9.800
   80   HH22  ARG  10          HH22      ARG  10 -13.694 -11.888 -10.564
   81    H    GLY  11           HN       GLY  11  -7.998 -11.116  -7.910
   82    HA2  GLY  11           HA2      GLY  11  -8.475  -9.502  -9.574
   83    HA3  GLY  11           HA1      GLY  11  -8.514  -8.262  -8.328
   84    H    ARG  12           HN       ARG  12  -6.878  -9.184 -10.946
   85    HA   ARG  12           HA       ARG  12  -4.186  -9.202 -10.318
   86    HB2  ARG  12           HB2      ARG  12  -5.402  -9.500 -12.596
   87    HB3  ARG  12           HB1      ARG  12  -5.181  -7.763 -12.754
   88    HG2  ARG  12           HG2      ARG  12  -3.374  -8.783 -13.875
   89    HG3  ARG  12           HG1      ARG  12  -2.730  -8.147 -12.360
   90    HD2  ARG  12           HD2      ARG  12  -2.964 -10.402 -11.366
   91    HD3  ARG  12           HD1      ARG  12  -3.488 -11.008 -12.936
   92    HE   ARG  12           HE       ARG  12  -0.839  -9.773 -12.567
   93   HH11  ARG  12          HH11      ARG  12  -2.860 -12.402 -13.640
   94   HH12  ARG  12          HH12      ARG  12  -1.557 -13.271 -14.379
   95   HH21  ARG  12          HH21      ARG  12   0.881 -10.912 -13.536
   96   HH22  ARG  12          HH22      ARG  12   0.568 -12.424 -14.321
   97    H    GLU  13           HN       GLU  13  -6.146  -6.275 -11.005
   98    HA   GLU  13           HA       GLU  13  -4.103  -4.440 -10.873
   99    HB2  GLU  13           HB2      GLU  13  -6.392  -3.881 -11.547
  100    HB3  GLU  13           HB1      GLU  13  -6.939  -4.086  -9.889
  101    HG2  GLU  13           HG2      GLU  13  -5.624  -2.204  -9.171
  102    HG3  GLU  13           HG1      GLU  13  -4.919  -2.042 -10.779
  103    H    ASN  14           HN       ASN  14  -6.030  -5.698  -8.167
  104    HA   ASN  14           HA       ASN  14  -4.812  -4.122  -6.146
  105    HB2  ASN  14           HB2      ASN  14  -6.182  -6.805  -5.882
  106    HB3  ASN  14           HB1      ASN  14  -5.902  -5.637  -4.593
  107   HD21  ASN  14          HD21      ASN  14  -8.405  -6.756  -5.503
  108   HD22  ASN  14          HD22      ASN  14  -9.386  -5.428  -6.009
  109    H    PHE  15           HN       PHE  15  -4.235  -7.417  -7.323
  110    HA   PHE  15           HA       PHE  15  -2.274  -8.183  -5.507
  111    HB2  PHE  15           HB2      PHE  15  -3.409  -9.682  -7.127
  112    HB3  PHE  15           HB1      PHE  15  -2.461  -8.960  -8.422
  113    HD1  PHE  15           HD2      PHE  15  -1.383  -9.966  -4.993
  114    HD2  PHE  15           HD1      PHE  15  -1.120 -10.678  -9.190
  115    HE1  PHE  15           HE2      PHE  15   0.393 -11.596  -4.598
  116    HE2  PHE  15           HE1      PHE  15   0.686 -12.311  -8.787
  117    HZ   PHE  15           HZ       PHE  15   1.440 -12.766  -6.482
  118    H    GLU  16           HN       GLU  16  -1.906  -6.541  -8.642
  119    HA   GLU  16           HA       GLU  16   0.927  -6.396  -8.650
  120    HB2  GLU  16           HB2      GLU  16  -1.131  -4.623  -9.972
  121    HB3  GLU  16           HB1      GLU  16   0.593  -4.588 -10.314
  122    HG2  GLU  16           HG2      GLU  16   0.472  -6.924 -11.065
  123    HG3  GLU  16           HG1      GLU  16  -1.265  -6.911 -10.771
  124    H    ILE  17           HN       ILE  17  -1.483  -4.023  -7.491
  125    HA   ILE  17           HA       ILE  17   0.440  -2.064  -6.836
  126    HB   ILE  17           HB       ILE  17  -2.399  -2.504  -6.204
  127   HG12  ILE  17          HG12      ILE  17  -0.981   0.109  -6.613
  128   HG13  ILE  17          HG11      ILE  17  -1.249  -0.976  -7.970
  129   HG21  ILE  17          HG21      ILE  17  -0.693  -0.777  -4.414
  130   HG22  ILE  17          HG22      ILE  17  -1.549  -2.245  -3.934
  131   HG23  ILE  17          HG23      ILE  17  -2.458  -0.814  -4.426
  132   HD11  ILE  17          HD11      ILE  17  -3.622  -0.817  -7.689
  133   HD12  ILE  17          HD12      ILE  17  -2.944   0.814  -7.728
  134   HD13  ILE  17          HD13      ILE  17  -3.427   0.095  -6.191
  135    H    LEU  18           HN       LEU  18  -0.914  -4.771  -4.948
  136    HA   LEU  18           HA       LEU  18   0.446  -4.037  -2.534
  137    HB2  LEU  18           HB2      LEU  18  -1.118  -6.417  -3.474
  138    HB3  LEU  18           HB1      LEU  18  -0.234  -6.454  -1.961
  139    HG   LEU  18           HG       LEU  18  -2.074  -4.164  -2.349
  140   HD11  LEU  18          HD11      LEU  18  -4.050  -5.353  -1.943
  141   HD12  LEU  18          HD12      LEU  18  -3.180  -6.834  -1.554
  142   HD13  LEU  18          HD13      LEU  18  -3.243  -6.263  -3.221
  143   HD21  LEU  18          HD21      LEU  18  -0.848  -4.327  -0.304
  144   HD22  LEU  18          HD22      LEU  18  -1.345  -6.003  -0.078
  145   HD23  LEU  18          HD23      LEU  18  -2.534  -4.707   0.043
  146    H    MET  19           HN       MET  19   0.995  -6.293  -5.205
  147    HA   MET  19           HA       MET  19   3.153  -7.668  -4.062
  148    HB2  MET  19           HB2      MET  19   1.775  -8.013  -6.355
  149    HB3  MET  19           HB1      MET  19   3.180  -7.199  -7.016
  150    HG2  MET  19           HG2      MET  19   3.109  -9.799  -5.518
  151    HG3  MET  19           HG1      MET  19   3.473  -9.546  -7.219
  152    HE1  MET  19           HE1      MET  19   6.768 -10.810  -5.406
  153    HE2  MET  19           HE2      MET  19   5.638 -11.162  -6.712
  154    HE3  MET  19           HE3      MET  19   5.090 -11.210  -5.035
  155    H    LYS  20           HN       LYS  20   3.163  -4.878  -6.245
  156    HA   LYS  20           HA       LYS  20   5.924  -4.393  -6.288
  157    HB2  LYS  20           HB2      LYS  20   3.902  -3.271  -7.541
  158    HB3  LYS  20           HB1      LYS  20   3.941  -2.154  -6.185
  159    HG2  LYS  20           HG2      LYS  20   6.411  -2.752  -7.767
  160    HG3  LYS  20           HG1      LYS  20   5.238  -1.551  -8.311
  161    HD2  LYS  20           HD2      LYS  20   5.471  -0.473  -6.041
  162    HD3  LYS  20           HD1      LYS  20   6.836  -1.557  -5.759
  163    HE2  LYS  20           HE2      LYS  20   6.620   0.358  -8.076
  164    HE3  LYS  20           HE1      LYS  20   7.491   0.694  -6.582
  165    HZ1  LYS  20           HZ1      LYS  20   8.086  -1.511  -8.481
  166    HZ2  LYS  20           HZ2      LYS  20   8.916  -1.213  -7.039
  167    HZ3  LYS  20           HZ3      LYS  20   8.985  -0.089  -8.300
  168    H    LEU  21           HN       LEU  21   3.410  -3.602  -3.979
  169    HA   LEU  21           HA       LEU  21   5.051  -1.976  -2.334
  170    HB2  LEU  21           HB2      LEU  21   2.445  -2.193  -2.508
  171    HB3  LEU  21           HB1      LEU  21   2.645  -3.469  -1.329
  172    HG   LEU  21           HG       LEU  21   3.055  -0.528  -1.015
  173   HD11  LEU  21          HD11      LEU  21   1.594  -0.797   0.854
  174   HD12  LEU  21          HD12      LEU  21   1.674  -2.552   0.726
  175   HD13  LEU  21          HD13      LEU  21   0.876  -1.613  -0.535
  176   HD21  LEU  21          HD21      LEU  21   4.168  -2.643   0.821
  177   HD22  LEU  21          HD22      LEU  21   4.076  -0.916   1.176
  178   HD23  LEU  21          HD23      LEU  21   5.102  -1.494  -0.137
  179    H    LYS  22           HN       LYS  22   4.187  -5.414  -2.181
  180    HA   LYS  22           HA       LYS  22   5.366  -6.055   0.250
  181    HB2  LYS  22           HB2      LYS  22   4.085  -7.721  -0.953
  182    HB3  LYS  22           HB1      LYS  22   5.187  -7.648  -2.321
  183    HG2  LYS  22           HG2      LYS  22   6.731  -8.298  -0.051
  184    HG3  LYS  22           HG1      LYS  22   5.293  -9.317  -0.018
  185    HD2  LYS  22           HD2      LYS  22   6.939  -8.986  -2.507
  186    HD3  LYS  22           HD1      LYS  22   7.339 -10.191  -1.281
  187    HE2  LYS  22           HE2      LYS  22   4.845 -10.880  -1.527
  188    HE3  LYS  22           HE1      LYS  22   4.943 -10.020  -3.063
  189    HZ1  LYS  22           HZ1      LYS  22   6.806 -11.447  -3.683
  190    HZ2  LYS  22           HZ2      LYS  22   5.417 -12.356  -3.361
  191    HZ3  LYS  22           HZ3      LYS  22   6.666 -12.288  -2.222
  192    H    GLU  23           HN       GLU  23   6.644  -5.611  -2.938
  193    HA   GLU  23           HA       GLU  23   9.346  -6.317  -2.479
  194    HB2  GLU  23           HB2      GLU  23   8.082  -5.961  -4.696
  195    HB3  GLU  23           HB1      GLU  23   8.336  -4.245  -4.432
  196    HG2  GLU  23           HG2      GLU  23  10.816  -4.827  -4.288
  197    HG3  GLU  23           HG1      GLU  23  10.349  -6.379  -4.980
  198    H    SER  24           HN       SER  24   7.654  -3.176  -2.342
  199    HA   SER  24           HA       SER  24   9.920  -1.713  -1.673
  200    HB2  SER  24           HB2      SER  24   7.212  -0.888  -0.660
  201    HB3  SER  24           HB1      SER  24   8.492   0.113  -1.344
  202    HG   SER  24           HG       SER  24   6.454  -0.617  -2.631
  203    H    LEU  25           HN       LEU  25   7.418  -3.032   0.497
  204    HA   LEU  25           HA       LEU  25   8.495  -2.053   2.920
  205    HB2  LEU  25           HB2      LEU  25   6.610  -4.261   2.200
  206    HB3  LEU  25           HB1      LEU  25   7.172  -4.078   3.850
  207    HG   LEU  25           HG       LEU  25   5.807  -1.864   2.326
  208   HD11  LEU  25          HD11      LEU  25   4.189  -3.581   2.459
  209   HD12  LEU  25          HD12      LEU  25   3.836  -2.464   3.776
  210   HD13  LEU  25          HD13      LEU  25   4.653  -3.990   4.110
  211   HD21  LEU  25          HD21      LEU  25   5.530  -0.838   4.468
  212   HD22  LEU  25          HD22      LEU  25   7.235  -1.252   4.272
  213   HD23  LEU  25          HD23      LEU  25   6.195  -2.254   5.288
  214    H    GLU  26           HN       GLU  26   8.964  -5.165   1.279
  215    HA   GLU  26           HA       GLU  26  10.564  -6.275   3.342
  216    HB2  GLU  26           HB2      GLU  26  10.138  -6.982   0.457
  217    HB3  GLU  26           HB1      GLU  26  11.307  -7.846   1.447
  218    HG2  GLU  26           HG2      GLU  26   9.364  -8.203   3.079
  219    HG3  GLU  26           HG1      GLU  26   8.331  -7.726   1.732
  220    H    LEU  27           HN       LEU  27  11.342  -4.582   0.339
  221    HA   LEU  27           HA       LEU  27  14.154  -4.867   0.384
  222    HB2  LEU  27           HB2      LEU  27  12.268  -2.921  -0.871
  223    HB3  LEU  27           HB1      LEU  27  13.995  -2.634  -0.926
  224    HG   LEU  27           HG       LEU  27  12.599  -5.073  -2.036
  225   HD11  LEU  27          HD11      LEU  27  12.843  -4.154  -4.165
  226   HD12  LEU  27          HD12      LEU  27  13.971  -2.920  -3.603
  227   HD13  LEU  27          HD13      LEU  27  12.264  -2.811  -3.179
  228   HD21  LEU  27          HD21      LEU  27  14.760  -5.612  -3.031
  229   HD22  LEU  27          HD22      LEU  27  14.893  -5.536  -1.274
  230   HD23  LEU  27          HD23      LEU  27  15.482  -4.197  -2.262
  231    H    MET  28           HN       MET  28  12.097  -2.451   2.030
  232    HA   MET  28           HA       MET  28  14.127  -0.688   2.547
  233    HB2  MET  28           HB2      MET  28  11.977  -1.353   4.577
  234    HB3  MET  28           HB1      MET  28  12.880   0.150   4.473
  235    HG2  MET  28           HG2      MET  28  11.751   0.829   2.554
  236    HG3  MET  28           HG1      MET  28  11.138  -0.790   2.238
  237    HE1  MET  28           HE1      MET  28   9.278   2.469   4.715
  238    HE2  MET  28           HE2      MET  28  10.448   2.553   3.393
  239    HE3  MET  28           HE3      MET  28  10.979   2.112   5.018
  240    H    GLU  29           HN       GLU  29  14.062  -3.897   3.705
  241    HA   GLU  29           HA       GLU  29  15.632  -3.282   6.067
  242    HB2  GLU  29           HB2      GLU  29  15.367  -5.522   6.668
  243    HB3  GLU  29           HB1      GLU  29  13.847  -5.121   5.880
  244    HG2  GLU  29           HG2      GLU  29  14.765  -6.123   3.783
  245    HG3  GLU  29           HG1      GLU  29  16.151  -6.669   4.723
  246    H    LEU  30           HN       LEU  30  16.140  -4.160   2.756
  247    HA   LEU  30           HA       LEU  30  18.804  -5.183   3.303
  248    HB2  LEU  30           HB2      LEU  30  18.665  -6.269   1.348
  249    HB3  LEU  30           HB1      LEU  30  16.956  -5.918   1.469
  250    HG   LEU  30           HG       LEU  30  18.959  -4.321  -0.113
  251   HD11  LEU  30          HD11      LEU  30  16.813  -6.242  -0.995
  252   HD12  LEU  30          HD12      LEU  30  18.553  -6.519  -1.073
  253   HD13  LEU  30          HD13      LEU  30  17.815  -5.260  -2.064
  254   HD21  LEU  30          HD21      LEU  30  15.971  -4.068   0.106
  255   HD22  LEU  30          HD22      LEU  30  16.969  -3.230  -1.078
  256   HD23  LEU  30          HD23      LEU  30  17.170  -2.890   0.640
  257    H    VAL  31           HN       VAL  31  17.488  -2.247   3.096
  258    HA   VAL  31           HA       VAL  31  19.795  -1.057   1.728
  259    HB   VAL  31           HB       VAL  31  17.760  -0.118   0.910
  260   HG11  VAL  31          HG11      VAL  31  16.995   0.355   3.786
  261   HG12  VAL  31          HG12      VAL  31  16.252  -0.793   2.673
  262   HG13  VAL  31          HG13      VAL  31  16.097   0.940   2.386
  263   HG21  VAL  31          HG21      VAL  31  19.180   1.660   0.961
  264   HG22  VAL  31          HG22      VAL  31  19.413   1.569   2.705
  265   HG23  VAL  31          HG23      VAL  31  17.937   2.271   2.052
  266    HA   PRO  32           HA       PRO  32  21.842  -0.603   5.651
  267    HB2  PRO  32           HB2      PRO  32  22.653   1.968   4.326
  268    HB3  PRO  32           HB1      PRO  32  23.641   0.832   5.253
  269    HG2  PRO  32           HG2      PRO  32  23.682   0.835   2.578
  270    HG3  PRO  32           HG1      PRO  32  23.798  -0.671   3.503
  271    HD2  PRO  32           HD2      PRO  32  21.557   0.369   1.881
  272    HD3  PRO  32           HD1      PRO  32  21.935  -1.303   2.345
  273    H    GLN  33           HN       GLN  33  20.923   0.099   7.482
  274    HA   GLN  33           HA       GLN  33  18.680   1.671   7.662
  275    HB2  GLN  33           HB2      GLN  33  19.523   0.161   9.436
  276    HB3  GLN  33           HB1      GLN  33  20.765   1.342   9.821
  277    HG2  GLN  33           HG2      GLN  33  18.958   1.525  11.389
  278    HG3  GLN  33           HG1      GLN  33  19.017   2.972  10.384
  279   HE21  GLN  33          HE21      GLN  33  17.260   0.077  11.148
  280   HE22  GLN  33          HE22      GLN  33  15.804   0.496  10.318
  281    HA   PRO  34           HA       PRO  34  21.577   5.469   8.897
  282    HB2  PRO  34           HB2      PRO  34  23.809   4.860   7.033
  283    HB3  PRO  34           HB1      PRO  34  23.852   5.574   8.648
  284    HG2  PRO  34           HG2      PRO  34  24.625   3.059   8.261
  285    HG3  PRO  34           HG1      PRO  34  23.704   3.515   9.707
  286    HD2  PRO  34           HD2      PRO  34  22.777   2.118   7.230
  287    HD3  PRO  34           HD1      PRO  34  22.333   1.827   8.923
  288    H    LEU  35           HN       LEU  35  21.409   3.977   5.711
  289    HA   LEU  35           HA       LEU  35  21.411   6.474   4.291
  290    HB2  LEU  35           HB2      LEU  35  22.285   4.337   3.353
  291    HB3  LEU  35           HB1      LEU  35  20.653   3.703   3.355
  292    HG   LEU  35           HG       LEU  35  19.977   5.334   1.698
  293   HD11  LEU  35          HD11      LEU  35  21.555   6.851   0.658
  294   HD12  LEU  35          HD12      LEU  35  22.819   6.318   1.768
  295   HD13  LEU  35          HD13      LEU  35  21.413   7.188   2.383
  296   HD21  LEU  35          HD21      LEU  35  22.519   3.904   0.962
  297   HD22  LEU  35          HD22      LEU  35  21.348   4.556  -0.183
  298   HD23  LEU  35          HD23      LEU  35  20.886   3.242   0.899
  299    H    VAL  36           HN       VAL  36  19.053   4.271   5.614
  300    HA   VAL  36           HA       VAL  36  16.774   5.439   4.282
  301    HB   VAL  36           HB       VAL  36  16.956   3.653   6.726
  302   HG11  VAL  36          HG11      VAL  36  14.510   3.361   6.459
  303   HG12  VAL  36          HG12      VAL  36  14.519   4.650   5.254
  304   HG13  VAL  36          HG13      VAL  36  14.965   5.000   6.924
  305   HG21  VAL  36          HG21      VAL  36  16.052   3.076   3.905
  306   HG22  VAL  36          HG22      VAL  36  16.087   1.925   5.242
  307   HG23  VAL  36          HG23      VAL  36  17.594   2.590   4.613
  308    H    ASP  37           HN       ASP  37  18.404   5.884   7.384
  309    HA   ASP  37           HA       ASP  37  16.555   7.649   8.532
  310    HB2  ASP  37           HB2      ASP  37  19.572   7.597   8.819
  311    HB3  ASP  37           HB1      ASP  37  18.473   8.483   9.871
  312    H    SER  38           HN       SER  38  19.329   8.219   6.354
  313    HA   SER  38           HA       SER  38  19.175  10.994   6.280
  314    HB2  SER  38           HB2      SER  38  21.046   9.713   5.321
  315    HB3  SER  38           HB1      SER  38  19.984   9.116   4.046
  316    HG   SER  38           HG       SER  38  20.406  10.877   3.005
  317    H    TYR  39           HN       TYR  39  17.509   8.586   4.259
  318    HA   TYR  39           HA       TYR  39  16.198  10.400   2.573
  319    HB2  TYR  39           HB2      TYR  39  16.086   8.221   1.797
  320    HB3  TYR  39           HB1      TYR  39  15.703   7.564   3.386
  321    HD1  TYR  39           HD1      TYR  39  14.290   9.505   0.555
  322    HD2  TYR  39           HD2      TYR  39  13.477   7.201   4.036
  323    HE1  TYR  39           HE1      TYR  39  11.904   9.490  -0.019
  324    HE2  TYR  39           HE2      TYR  39  11.092   7.181   3.471
  325    HH   TYR  39           HH       TYR  39   9.491   8.427   2.167
  326    H    ARG  40           HN       ARG  40  15.194   8.913   5.622
  327    HA   ARG  40           HA       ARG  40  12.614   9.932   5.781
  328    HB2  ARG  40           HB2      ARG  40  14.599   9.248   7.948
  329    HB3  ARG  40           HB1      ARG  40  12.923   9.672   8.275
  330    HG2  ARG  40           HG2      ARG  40  12.181   7.764   6.942
  331    HG3  ARG  40           HG1      ARG  40  13.863   7.340   6.618
  332    HD2  ARG  40           HD2      ARG  40  14.241   7.039   9.020
  333    HD3  ARG  40           HD1      ARG  40  12.556   7.451   9.334
  334    HE   ARG  40           HE       ARG  40  12.652   5.311   7.519
  335   HH11  ARG  40          HH11      ARG  40  13.320   6.017  10.866
  336   HH12  ARG  40          HH12      ARG  40  12.998   4.402  11.403
  337   HH21  ARG  40          HH21      ARG  40  12.227   3.183   8.220
  338   HH22  ARG  40          HH22      ARG  40  12.380   2.792   9.900
  339    H    GLN  41           HN       GLN  41  15.691  11.428   6.565
  340    HA   GLN  41           HA       GLN  41  14.668  13.739   7.871
  341    HB2  GLN  41           HB2      GLN  41  17.233  13.319   6.327
  342    HB3  GLN  41           HB1      GLN  41  16.865  14.761   7.264
  343    HG2  GLN  41           HG2      GLN  41  16.563  13.187   9.245
  344    HG3  GLN  41           HG1      GLN  41  17.352  11.973   8.240
  345   HE21  GLN  41          HE21      GLN  41  19.528  12.212   7.722
  346   HE22  GLN  41          HE22      GLN  41  20.560  13.311   8.564
  347    H    GLN  42           HN       GLN  42  15.621  13.182   4.481
  348    HA   GLN  42           HA       GLN  42  14.904  15.741   3.560
  349    HB2  GLN  42           HB2      GLN  42  16.303  14.170   2.270
  350    HB3  GLN  42           HB1      GLN  42  14.905  13.130   2.031
  351    HG2  GLN  42           HG2      GLN  42  13.790  14.929   0.795
  352    HG3  GLN  42           HG1      GLN  42  15.212  15.948   1.016
  353   HE21  GLN  42          HE21      GLN  42  13.947  14.984  -1.436
  354   HE22  GLN  42          HE22      GLN  42  15.175  14.128  -2.299
  355    H    GLN  43           HN       GLN  43  13.039  12.954   4.340
  356    HA   GLN  43           HA       GLN  43  10.663  13.774   2.921
  357    HB2  GLN  43           HB2      GLN  43  11.104  11.408   3.224
  358    HB3  GLN  43           HB1      GLN  43  11.183  11.608   4.967
  359    HG2  GLN  43           HG2      GLN  43   8.759  12.391   4.807
  360    HG3  GLN  43           HG1      GLN  43   8.788  11.719   3.177
  361   HE21  GLN  43          HE21      GLN  43   8.941   9.505   2.897
  362   HE22  GLN  43          HE22      GLN  43   8.669   8.386   4.185
  363    H    GLN  44           HN       GLN  44  11.880  13.849   6.223
  364    HA   GLN  44           HA       GLN  44   9.501  14.772   7.446
  365    HB2  GLN  44           HB2      GLN  44  11.519  13.741   8.600
  366    HB3  GLN  44           HB1      GLN  44  12.309  15.302   8.421
  367    HG2  GLN  44           HG2      GLN  44  11.372  15.103  10.628
  368    HG3  GLN  44           HG1      GLN  44  10.507  16.345   9.723
  369   HE21  GLN  44          HE21      GLN  44   8.391  15.933   9.030
  370   HE22  GLN  44          HE22      GLN  44   7.434  14.674   9.726
  371    H    LEU  45           HN       LEU  45  11.923  16.267   5.551
  372    HA   LEU  45           HA       LEU  45  11.876  18.907   6.403
  373    HB2  LEU  45           HB2      LEU  45  13.480  18.535   4.811
  374    HB3  LEU  45           HB1      LEU  45  12.443  17.499   3.852
  375    HG   LEU  45           HG       LEU  45  11.185  19.712   3.289
  376   HD11  LEU  45          HD11      LEU  45  13.891  20.767   4.091
  377   HD12  LEU  45          HD12      LEU  45  12.363  21.108   4.904
  378   HD13  LEU  45          HD13      LEU  45  12.630  21.673   3.254
  379   HD21  LEU  45          HD21      LEU  45  12.324  18.390   1.637
  380   HD22  LEU  45          HD22      LEU  45  13.890  19.005   2.170
  381   HD23  LEU  45          HD23      LEU  45  12.733  20.089   1.398
  382    H    LEU  46           HN       LEU  46   9.813  17.329   3.968
  383    HA   LEU  46           HA       LEU  46   7.997  19.631   4.108
  384    HB2  LEU  46           HB2      LEU  46   8.926  17.945   1.955
  385    HB3  LEU  46           HB1      LEU  46   7.174  17.964   2.023
  386    HG   LEU  46           HG       LEU  46   8.059  19.659   0.484
  387   HD11  LEU  46          HD11      LEU  46   6.773  21.545   1.308
  388   HD12  LEU  46          HD12      LEU  46   6.769  20.854   2.930
  389   HD13  LEU  46          HD13      LEU  46   5.923  20.032   1.620
  390   HD21  LEU  46          HD21      LEU  46   9.287  20.898   2.943
  391   HD22  LEU  46          HD22      LEU  46   9.277  21.586   1.319
  392   HD23  LEU  46          HD23      LEU  46  10.174  20.103   1.642
  393    H    GLN  47           HN       GLN  47   7.614  16.146   3.437
  394    HA   GLN  47           HA       GLN  47   6.050  14.637   4.103
  395    HB2  GLN  47           HB2      GLN  47   7.137  15.605   6.359
  396    HB3  GLN  47           HB1      GLN  47   5.473  16.111   6.616
  397    HG2  GLN  47           HG2      GLN  47   6.300  13.291   5.991
  398    HG3  GLN  47           HG1      GLN  47   6.056  13.917   7.621
  399   HE21  GLN  47          HE21      GLN  47   4.524  13.025   4.628
  400   HE22  GLN  47          HE22      GLN  47   2.908  12.976   5.236
  401    H    ARG  48           HN       ARG  48   5.131  16.741   2.484
  402    HA   ARG  48           HA       ARG  48   2.306  16.676   3.164
  403    HB2  ARG  48           HB2      ARG  48   3.835  19.251   2.771
  404    HB3  ARG  48           HB1      ARG  48   2.083  19.140   2.669
  405    HG2  ARG  48           HG2      ARG  48   1.978  18.396   4.974
  406    HG3  ARG  48           HG1      ARG  48   3.737  18.451   5.083
  407    HD2  ARG  48           HD2      ARG  48   2.738  20.437   6.082
  408    HD3  ARG  48           HD1      ARG  48   3.692  20.856   4.660
  409    HE   ARG  48           HE       ARG  48   1.050  20.491   3.844
  410   HH11  ARG  48          HH11      ARG  48   2.911  22.660   5.838
  411   HH12  ARG  48          HH12      ARG  48   1.867  24.014   5.562
  412   HH21  ARG  48          HH21      ARG  48  -0.329  22.268   3.477
  413   HH22  ARG  48          HH22      ARG  48   0.026  23.791   4.220
  414    H    ASP   1           HT1      ASP   1  -7.682 -14.707 -15.718
  415    HA   ASP   1           HA       ASP   1  -6.443 -15.871 -14.028
  416    HB2  ASP   1           HB2      ASP   1  -4.616 -16.619 -15.538
  417    HB3  ASP   1           HB1      ASP   1  -4.004 -14.969 -15.579
  418    H    GLU   2           HN       GLU   2  -7.423 -14.287 -12.826
  419    HA   GLU   2           HA       GLU   2  -5.756 -12.121 -11.964
  420    HB2  GLU   2           HB2      GLU   2  -7.339 -10.311 -12.521
  421    HB3  GLU   2           HB1      GLU   2  -6.665 -11.069 -13.957
  422    HG2  GLU   2           HG2      GLU   2  -8.707 -12.346 -14.267
  423    HG3  GLU   2           HG1      GLU   2  -9.383 -11.643 -12.798
  424    H    ASP   3           HN       ASP   3  -7.406 -14.496 -11.045
  425    HA   ASP   3           HA       ASP   3  -9.411 -13.333  -9.333
  426    HB2  ASP   3           HB2      ASP   3  -8.266 -16.134  -9.344
  427    HB3  ASP   3           HB1      ASP   3  -9.712 -15.611  -8.487
  428    H    THR   4           HN       THR   4  -8.607 -15.275  -7.103
  429    HA   THR   4           HA       THR   4  -7.104 -13.357  -5.623
  430    HB   THR   4           HB       THR   4  -7.263 -16.054  -4.490
  431    HG1  THR   4           HG1      THR   4  -9.677 -14.619  -4.557
  432   HG21  THR   4          HG21      THR   4  -8.057 -13.308  -3.521
  433   HG22  THR   4          HG22      THR   4  -6.556 -14.157  -3.147
  434   HG23  THR   4          HG23      THR   4  -8.093 -14.774  -2.540
  435    H    TYR   5           HN       TYR   5  -5.102 -13.451  -4.845
  436    HA   TYR   5           HA       TYR   5  -3.236 -15.310  -6.160
  437    HB2  TYR   5           HB2      TYR   5  -3.076 -12.349  -5.780
  438    HB3  TYR   5           HB1      TYR   5  -1.657 -13.339  -6.109
  439    HD1  TYR   5           HD2      TYR   5  -1.650 -14.747  -8.225
  440    HD2  TYR   5           HD1      TYR   5  -4.469 -11.642  -7.525
  441    HE1  TYR   5           HE2      TYR   5  -2.120 -14.641 -10.634
  442    HE2  TYR   5           HE1      TYR   5  -4.946 -11.523  -9.933
  443    HH   TYR   5           HH       TYR   5  -3.980 -13.907 -12.113
  444    H    TYR   6           HN       TYR   6  -1.132 -15.501  -4.863
  445    HA   TYR   6           HA       TYR   6  -1.591 -14.808  -2.048
  446    HB2  TYR   6           HB2      TYR   6   0.342 -16.932  -2.997
  447    HB3  TYR   6           HB1      TYR   6  -0.316 -16.710  -1.381
  448    HD1  TYR   6           HD2      TYR   6  -3.202 -16.351  -2.076
  449    HD2  TYR   6           HD1      TYR   6  -0.326 -19.143  -3.493
  450    HE1  TYR   6           HE2      TYR   6  -5.007 -17.936  -2.569
  451    HE2  TYR   6           HE1      TYR   6  -2.124 -20.744  -3.999
  452    HH   TYR   6           HH       TYR   6  -4.432 -21.208  -3.292
  453    H    LEU   7           HN       LEU   7  -0.316 -13.460  -1.075
  454    HA   LEU   7           HA       LEU   7   2.091 -12.481  -2.486
  455    HB2  LEU   7           HB2      LEU   7  -0.209 -11.204  -1.652
  456    HB3  LEU   7           HB1      LEU   7   0.899 -10.887  -0.347
  457    HG   LEU   7           HG       LEU   7   2.084  -9.389  -1.540
  458   HD11  LEU   7          HD11      LEU   7   3.176 -10.199  -3.290
  459   HD12  LEU   7          HD12      LEU   7   1.804  -9.622  -4.236
  460   HD13  LEU   7          HD13      LEU   7   1.872 -11.304  -3.708
  461   HD21  LEU   7          HD21      LEU   7  -0.303  -8.765  -1.553
  462   HD22  LEU   7          HD22      LEU   7  -0.419  -9.415  -3.189
  463   HD23  LEU   7          HD23      LEU   7   0.633  -8.037  -2.861
  464    H    GLN   8           HN       GLN   8   3.836 -13.541  -1.514
  465    HA   GLN   8           HA       GLN   8   3.776 -14.010   1.283
  466    HB2  GLN   8           HB2      GLN   8   5.115 -15.129  -0.805
  467    HB3  GLN   8           HB1      GLN   8   6.384 -14.183  -0.039
  468    HG2  GLN   8           HG2      GLN   8   5.491 -15.311   2.135
  469    HG3  GLN   8           HG1      GLN   8   4.857 -16.504   1.005
  470   HE21  GLN   8          HE21      GLN   8   7.222 -15.936  -0.803
  471   HE22  GLN   8          HE22      GLN   8   8.523 -16.813  -0.085
  472    H    VAL   9           HN       VAL   9   4.133 -12.582   2.779
  473    HA   VAL   9           HA       VAL   9   5.977 -10.413   2.154
  474    HB   VAL   9           HB       VAL   9   3.377 -10.313   3.669
  475   HG11  VAL   9          HG11      VAL   9   3.897  -7.961   4.218
  476   HG12  VAL   9          HG12      VAL   9   5.550  -8.233   3.666
  477   HG13  VAL   9          HG13      VAL   9   4.923  -9.126   5.053
  478   HG21  VAL   9          HG21      VAL   9   2.753  -8.647   2.081
  479   HG22  VAL   9          HG22      VAL   9   3.402 -10.029   1.197
  480   HG23  VAL   9          HG23      VAL   9   4.389  -8.584   1.427
  481    H    ARG  10           HN       ARG  10   7.646 -10.099   3.544
  482    HA   ARG  10           HA       ARG  10   7.695 -11.858   5.894
  483    HB2  ARG  10           HB2      ARG  10   9.530 -11.884   4.052
  484    HB3  ARG  10           HB1      ARG  10  10.095 -10.402   4.810
  485    HG2  ARG  10           HG2      ARG  10   9.652 -12.836   6.476
  486    HG3  ARG  10           HG1      ARG  10  11.110 -12.693   5.494
  487    HD2  ARG  10           HD2      ARG  10  11.642 -10.574   6.594
  488    HD3  ARG  10           HD1      ARG  10  10.180 -10.710   7.569
  489    HE   ARG  10           HE       ARG  10  11.604 -13.024   8.021
  490   HH11  ARG  10          HH11      ARG  10  12.136  -9.604   8.430
  491   HH12  ARG  10          HH12      ARG  10  13.195  -9.801   9.786
  492   HH21  ARG  10          HH21      ARG  10  12.995 -13.291   9.806
  493   HH22  ARG  10          HH22      ARG  10  13.685 -11.897  10.568
  494    H    GLY  11           HN       GLY  11   7.988 -11.121   7.913
  495    HA2  GLY  11           HA2      GLY  11   8.466  -9.509   9.578
  496    HA3  GLY  11           HA1      GLY  11   8.508  -8.269   8.332
  497    H    ARG  12           HN       ARG  12   6.869  -9.188  10.949
  498    HA   ARG  12           HA       ARG  12   4.177  -9.204  10.321
  499    HB2  ARG  12           HB2      ARG  12   5.393  -9.502  12.600
  500    HB3  ARG  12           HB1      ARG  12   5.172  -7.764  12.757
  501    HG2  ARG  12           HG2      ARG  12   3.364  -8.785  13.877
  502    HG3  ARG  12           HG1      ARG  12   2.721  -8.148  12.362
  503    HD2  ARG  12           HD2      ARG  12   2.954 -10.402  11.367
  504    HD3  ARG  12           HD1      ARG  12   3.478 -11.009  12.938
  505    HE   ARG  12           HE       ARG  12   0.829  -9.772  12.568
  506   HH11  ARG  12          HH11      ARG  12   2.848 -12.403  13.642
  507   HH12  ARG  12          HH12      ARG  12   1.544 -13.270  14.382
  508   HH21  ARG  12          HH21      ARG  12  -0.892 -10.908  13.539
  509   HH22  ARG  12          HH22      ARG  12  -0.581 -12.420  14.324
  510    H    GLU  13           HN       GLU  13   6.139  -6.279  11.008
  511    HA   GLU  13           HA       GLU  13   4.097  -4.443  10.874
  512    HB2  GLU  13           HB2      GLU  13   6.386  -3.885  11.550
  513    HB3  GLU  13           HB1      GLU  13   6.934  -4.091   9.892
  514    HG2  GLU  13           HG2      GLU  13   5.622  -2.207   9.173
  515    HG3  GLU  13           HG1      GLU  13   4.915  -2.044  10.780
  516    H    ASN  14           HN       ASN  14   6.024  -5.701   8.169
  517    HA   ASN  14           HA       ASN  14   4.809  -4.125   6.148
  518    HB2  ASN  14           HB2      ASN  14   6.176  -6.810   5.884
  519    HB3  ASN  14           HB1      ASN  14   5.898  -5.642   4.596
  520   HD21  ASN  14          HD21      ASN  14   8.400  -6.762   5.506
  521   HD22  ASN  14          HD22      ASN  14   9.381  -5.435   6.013
  522    H    PHE  15           HN       PHE  15   4.229  -7.419   7.325
  523    HA   PHE  15           HA       PHE  15   2.268  -8.184   5.510
  524    HB2  PHE  15           HB2      PHE  15   3.402  -9.684   7.132
  525    HB3  PHE  15           HB1      PHE  15   2.453  -8.961   8.425
  526    HD1  PHE  15           HD2      PHE  15   1.375  -9.965   4.996
  527    HD2  PHE  15           HD1      PHE  15   1.111 -10.679   9.193
  528    HE1  PHE  15           HE2      PHE  15  -0.402 -11.594   4.601
  529    HE2  PHE  15           HE1      PHE  15  -0.696 -12.310   8.789
  530    HZ   PHE  15           HZ       PHE  15  -1.450 -12.763   6.484
  531    H    GLU  16           HN       GLU  16   1.900  -6.542   8.644
  532    HA   GLU  16           HA       GLU  16  -0.934  -6.395   8.652
  533    HB2  GLU  16           HB2      GLU  16   1.127  -4.624   9.974
  534    HB3  GLU  16           HB1      GLU  16  -0.598  -4.587  10.315
  535    HG2  GLU  16           HG2      GLU  16  -0.480  -6.922  11.067
  536    HG3  GLU  16           HG1      GLU  16   1.259  -6.911  10.773
  537    H    ILE  17           HN       ILE  17   1.478  -4.023   7.493
  538    HA   ILE  17           HA       ILE  17  -0.443  -2.063   6.837
  539    HB   ILE  17           HB       ILE  17   2.396  -2.505   6.205
  540   HG12  ILE  17          HG12      ILE  17   0.981   0.110   6.614
  541   HG13  ILE  17          HG11      ILE  17   1.247  -0.975   7.971
  542   HG21  ILE  17          HG21      ILE  17   0.692  -0.776   4.415
  543   HG22  ILE  17          HG22      ILE  17   1.545  -2.245   3.935
  544   HG23  ILE  17          HG23      ILE  17   2.456  -0.815   4.427
  545   HD11  ILE  17          HD11      ILE  17   3.620  -0.819   7.690
  546   HD12  ILE  17          HD12      ILE  17   2.944   0.813   7.729
  547   HD13  ILE  17          HD13      ILE  17   3.426   0.092   6.192
  548    H    LEU  18           HN       LEU  18   0.909  -4.772   4.950
  549    HA   LEU  18           HA       LEU  18  -0.449  -4.037   2.535
  550    HB2  LEU  18           HB2      LEU  18   1.114  -6.416   3.477
  551    HB3  LEU  18           HB1      LEU  18   0.230  -6.455   1.964
  552    HG   LEU  18           HG       LEU  18   2.072  -4.166   2.351
  553   HD11  LEU  18          HD11      LEU  18   4.045  -5.358   1.944
  554   HD12  LEU  18          HD12      LEU  18   3.173  -6.837   1.555
  555   HD13  LEU  18          HD13      LEU  18   3.238  -6.266   3.222
  556   HD21  LEU  18          HD21      LEU  18   0.844  -4.327   0.306
  557   HD22  LEU  18          HD22      LEU  18   1.341  -6.004   0.079
  558   HD23  LEU  18          HD23      LEU  18   2.531  -4.708  -0.041
  559    H    MET  19           HN       MET  19  -1.000  -6.291   5.207
  560    HA   MET  19           HA       MET  19  -3.158  -7.665   4.064
  561    HB2  MET  19           HB2      MET  19  -1.780  -8.010   6.356
  562    HB3  MET  19           HB1      MET  19  -3.185  -7.196   7.017
  563    HG2  MET  19           HG2      MET  19  -3.117  -9.797   5.521
  564    HG3  MET  19           HG1      MET  19  -3.481  -9.541   7.221
  565    HE1  MET  19           HE1      MET  19  -6.777 -10.802   5.406
  566    HE2  MET  19           HE2      MET  19  -5.648 -11.155   6.713
  567    HE3  MET  19           HE3      MET  19  -5.099 -11.204   5.035
  568    H    LYS  20           HN       LYS  20  -3.167  -4.873   6.245
  569    HA   LYS  20           HA       LYS  20  -5.927  -4.386   6.286
  570    HB2  LYS  20           HB2      LYS  20  -3.905  -3.265   7.541
  571    HB3  LYS  20           HB1      LYS  20  -3.943  -2.148   6.185
  572    HG2  LYS  20           HG2      LYS  20  -6.414  -2.744   7.766
  573    HG3  LYS  20           HG1      LYS  20  -5.241  -1.544   8.310
  574    HD2  LYS  20           HD2      LYS  20  -5.472  -0.467   6.040
  575    HD3  LYS  20           HD1      LYS  20  -6.837  -1.549   5.757
  576    HE2  LYS  20           HE2      LYS  20  -6.620   0.366   8.073
  577    HE3  LYS  20           HE1      LYS  20  -7.491   0.702   6.579
  578    HZ1  LYS  20           HZ1      LYS  20  -8.088  -1.502   8.479
  579    HZ2  LYS  20           HZ2      LYS  20  -8.918  -1.203   7.036
  580    HZ3  LYS  20           HZ3      LYS  20  -8.986  -0.079   8.298
  581    H    LEU  21           HN       LEU  21  -3.412  -3.598   3.978
  582    HA   LEU  21           HA       LEU  21  -5.051  -1.971   2.333
  583    HB2  LEU  21           HB2      LEU  21  -2.446  -2.190   2.508
  584    HB3  LEU  21           HB1      LEU  21  -2.646  -3.466   1.329
  585    HG   LEU  21           HG       LEU  21  -3.053  -0.525   1.014
  586   HD11  LEU  21          HD11      LEU  21  -1.592  -0.795  -0.854
  587   HD12  LEU  21          HD12      LEU  21  -1.673  -2.550  -0.727
  588   HD13  LEU  21          HD13      LEU  21  -0.875  -1.612   0.534
  589   HD21  LEU  21          HD21      LEU  21  -4.169  -2.639  -0.822
  590   HD22  LEU  21          HD22      LEU  21  -4.075  -0.913  -1.177
  591   HD23  LEU  21          HD23      LEU  21  -5.102  -1.489   0.136
  592    H    LYS  22           HN       LYS  22  -4.190  -5.410   2.180
  593    HA   LYS  22           HA       LYS  22  -5.370  -6.051  -0.250
  594    HB2  LYS  22           HB2      LYS  22  -4.090  -7.716   0.953
  595    HB3  LYS  22           HB1      LYS  22  -5.192  -7.642   2.322
  596    HG2  LYS  22           HG2      LYS  22  -6.735  -8.291   0.050
  597    HG3  LYS  22           HG1      LYS  22  -5.298  -9.312   0.020
  598    HD2  LYS  22           HD2      LYS  22  -6.946  -8.979   2.507
  599    HD3  LYS  22           HD1      LYS  22  -7.346 -10.182   1.281
  600    HE2  LYS  22           HE2      LYS  22  -4.854 -10.876   1.527
  601    HE3  LYS  22           HE1      LYS  22  -4.952 -10.016   3.063
  602    HZ1  LYS  22           HZ1      LYS  22  -6.815 -11.440   3.684
  603    HZ2  LYS  22           HZ2      LYS  22  -5.428 -12.351   3.361
  604    HZ3  LYS  22           HZ3      LYS  22  -6.678 -12.282   2.223
  605    H    GLU  23           HN       GLU  23  -6.649  -5.606   2.938
  606    HA   GLU  23           HA       GLU  23  -9.351  -6.309   2.478
  607    HB2  GLU  23           HB2      GLU  23  -8.088  -5.954   4.695
  608    HB3  GLU  23           HB1      GLU  23  -8.339  -4.238   4.432
  609    HG2  GLU  23           HG2      GLU  23 -10.820  -4.817   4.286
  610    HG3  GLU  23           HG1      GLU  23 -10.355  -6.370   4.977
  611    H    SER  24           HN       SER  24  -7.656  -3.170   2.341
  612    HA   SER  24           HA       SER  24  -9.920  -1.705   1.671
  613    HB2  SER  24           HB2      SER  24  -7.211  -0.883   0.659
  614    HB3  SER  24           HB1      SER  24  -8.489   0.121   1.342
  615    HG   SER  24           HG       SER  24  -6.453  -0.611   2.630
  616    H    LEU  25           HN       LEU  25  -7.419  -3.027  -0.498
  617    HA   LEU  25           HA       LEU  25  -8.494  -2.046  -2.922
  618    HB2  LEU  25           HB2      LEU  25  -6.612  -4.256  -2.202
  619    HB3  LEU  25           HB1      LEU  25  -7.174  -4.072  -3.851
  620    HG   LEU  25           HG       LEU  25  -5.807  -1.860  -2.328
  621   HD11  LEU  25          HD11      LEU  25  -4.191  -3.578  -2.459
  622   HD12  LEU  25          HD12      LEU  25  -3.835  -2.461  -3.777
  623   HD13  LEU  25          HD13      LEU  25  -4.654  -3.987  -4.110
  624   HD21  LEU  25          HD21      LEU  25  -5.528  -0.834  -4.471
  625   HD22  LEU  25          HD22      LEU  25  -7.234  -1.247  -4.273
  626   HD23  LEU  25          HD23      LEU  25  -6.196  -2.250  -5.289
  627    H    GLU  26           HN       GLU  26  -8.967  -5.157  -1.280
  628    HA   GLU  26           HA       GLU  26 -10.567  -6.267  -3.344
  629    HB2  GLU  26           HB2      GLU  26 -10.142  -6.974  -0.459
  630    HB3  GLU  26           HB1      GLU  26 -11.312  -7.837  -1.447
  631    HG2  GLU  26           HG2      GLU  26  -9.370  -8.196  -3.080
  632    HG3  GLU  26           HG1      GLU  26  -8.336  -7.720  -1.734
  633    H    LEU  27           HN       LEU  27 -11.345  -4.573  -0.341
  634    HA   LEU  27           HA       LEU  27 -14.157  -4.854  -0.385
  635    HB2  LEU  27           HB2      LEU  27 -12.269  -2.911   0.869
  636    HB3  LEU  27           HB1      LEU  27 -13.996  -2.621   0.924
  637    HG   LEU  27           HG       LEU  27 -12.605  -5.062   2.034
  638   HD11  LEU  27          HD11      LEU  27 -12.845  -4.142   4.162
  639   HD12  LEU  27          HD12      LEU  27 -13.973  -2.908   3.601
  640   HD13  LEU  27          HD13      LEU  27 -12.266  -2.800   3.176
  641   HD21  LEU  27          HD21      LEU  27 -14.766  -5.597   3.029
  642   HD22  LEU  27          HD22      LEU  27 -14.899  -5.522   1.273
  643   HD23  LEU  27          HD23      LEU  27 -15.485  -4.181   2.259
  644    H    MET  28           HN       MET  28 -12.097  -2.441  -2.032
  645    HA   MET  28           HA       MET  28 -14.126  -0.676  -2.550
  646    HB2  MET  28           HB2      MET  28 -11.976  -1.342  -4.580
  647    HB3  MET  28           HB1      MET  28 -12.879   0.161  -4.476
  648    HG2  MET  28           HG2      MET  28 -11.750   0.840  -2.558
  649    HG3  MET  28           HG1      MET  28 -11.137  -0.779  -2.240
  650    HE1  MET  28           HE1      MET  28  -9.273   2.478  -4.716
  651    HE2  MET  28           HE2      MET  28 -10.442   2.562  -3.394
  652    HE3  MET  28           HE3      MET  28 -10.974   2.124  -5.019
  653    H    GLU  29           HN       GLU  29 -14.062  -3.886  -3.708
  654    HA   GLU  29           HA       GLU  29 -15.632  -3.269  -6.071
  655    HB2  GLU  29           HB2      GLU  29 -15.369  -5.510  -6.671
  656    HB3  GLU  29           HB1      GLU  29 -13.848  -5.111  -5.884
  657    HG2  GLU  29           HG2      GLU  29 -14.768  -6.110  -3.786
  658    HG3  GLU  29           HG1      GLU  29 -16.154  -6.655  -4.726
  659    H    LEU  30           HN       LEU  30 -16.141  -4.146  -2.759
  660    HA   LEU  30           HA       LEU  30 -18.807  -5.168  -3.307
  661    HB2  LEU  30           HB2      LEU  30 -18.669  -6.253  -1.352
  662    HB3  LEU  30           HB1      LEU  30 -16.960  -5.904  -1.473
  663    HG   LEU  30           HG       LEU  30 -18.961  -4.304   0.109
  664   HD11  LEU  30          HD11      LEU  30 -16.817  -6.227   0.993
  665   HD12  LEU  30          HD12      LEU  30 -18.558  -6.502   1.071
  666   HD13  LEU  30          HD13      LEU  30 -17.818  -5.244   2.061
  667   HD21  LEU  30          HD21      LEU  30 -15.974  -4.054  -0.108
  668   HD22  LEU  30          HD22      LEU  30 -16.972  -3.214   1.074
  669   HD23  LEU  30          HD23      LEU  30 -17.170  -2.876  -0.644
  670    H    VAL  31           HN       VAL  31 -17.487  -2.233  -3.100
  671    HA   VAL  31           HA       VAL  31 -19.794  -1.041  -1.734
  672    HB   VAL  31           HB       VAL  31 -17.759  -0.103  -0.915
  673   HG11  VAL  31          HG11      VAL  31 -16.991   0.369  -3.790
  674   HG12  VAL  31          HG12      VAL  31 -16.250  -0.779  -2.676
  675   HG13  VAL  31          HG13      VAL  31 -16.094   0.953  -2.388
  676   HG21  VAL  31          HG21      VAL  31 -19.177   1.676  -0.966
  677   HG22  VAL  31          HG22      VAL  31 -19.411   1.586  -2.710
  678   HG23  VAL  31          HG23      VAL  31 -17.934   2.287  -2.056
  679    HA   PRO  32           HA       PRO  32 -21.840  -0.585  -5.656
  680    HB2  PRO  32           HB2      PRO  32 -22.650   1.987  -4.332
  681    HB3  PRO  32           HB1      PRO  32 -23.638   0.851  -5.259
  682    HG2  PRO  32           HG2      PRO  32 -23.679   0.855  -2.583
  683    HG3  PRO  32           HG1      PRO  32 -23.797  -0.652  -3.509
  684    HD2  PRO  32           HD2      PRO  32 -21.555   0.387  -1.886
  685    HD3  PRO  32           HD1      PRO  32 -21.934  -1.284  -2.349
  686    H    GLN  33           HN       GLN  33 -20.921   0.115  -7.486
  687    HA   GLN  33           HA       GLN  33 -18.675   1.685  -7.667
  688    HB2  GLN  33           HB2      GLN  33 -19.519   0.175  -9.443
  689    HB3  GLN  33           HB1      GLN  33 -20.760   1.357  -9.827
  690    HG2  GLN  33           HG2      GLN  33 -18.952   1.540 -11.395
  691    HG3  GLN  33           HG1      GLN  33 -19.010   2.987 -10.389
  692   HE21  GLN  33          HE21      GLN  33 -17.256   0.091 -11.154
  693   HE22  GLN  33          HE22      GLN  33 -15.800   0.507 -10.324
  694    HA   PRO  34           HA       PRO  34 -21.569   5.486  -8.903
  695    HB2  PRO  34           HB2      PRO  34 -23.801   4.879  -7.039
  696    HB3  PRO  34           HB1      PRO  34 -23.843   5.594  -8.655
  697    HG2  PRO  34           HG2      PRO  34 -24.618   3.078  -8.267
  698    HG3  PRO  34           HG1      PRO  34 -23.697   3.534  -9.713
  699    HD2  PRO  34           HD2      PRO  34 -22.771   2.136  -7.237
  700    HD3  PRO  34           HD1      PRO  34 -22.326   1.845  -8.930
  701    H    LEU  35           HN       LEU  35 -21.402   3.995  -5.717
  702    HA   LEU  35           HA       LEU  35 -21.402   6.493  -4.297
  703    HB2  LEU  35           HB2      LEU  35 -22.279   4.358  -3.360
  704    HB3  LEU  35           HB1      LEU  35 -20.649   3.720  -3.361
  705    HG   LEU  35           HG       LEU  35 -19.971   5.352  -1.704
  706   HD11  LEU  35          HD11      LEU  35 -21.549   6.870  -0.665
  707   HD12  LEU  35          HD12      LEU  35 -22.811   6.338  -1.776
  708   HD13  LEU  35          HD13      LEU  35 -21.404   7.206  -2.390
  709   HD21  LEU  35          HD21      LEU  35 -22.515   3.923  -0.970
  710   HD22  LEU  35          HD22      LEU  35 -21.343   4.573   0.176
  711   HD23  LEU  35          HD23      LEU  35 -20.883   3.259  -0.906
  712    H    VAL  36           HN       VAL  36 -19.045   4.287  -5.620
  713    HA   VAL  36           HA       VAL  36 -16.766   5.453  -4.287
  714    HB   VAL  36           HB       VAL  36 -16.950   3.667  -6.731
  715   HG11  VAL  36          HG11      VAL  36 -14.504   3.372  -6.464
  716   HG12  VAL  36          HG12      VAL  36 -14.511   4.660  -5.260
  717   HG13  VAL  36          HG13      VAL  36 -14.957   5.012  -6.930
  718   HG21  VAL  36          HG21      VAL  36 -16.047   3.088  -3.911
  719   HG22  VAL  36          HG22      VAL  36 -16.080   1.939  -5.249
  720   HG23  VAL  36          HG23      VAL  36 -17.588   2.603  -4.620
  721    H    ASP  37           HN       ASP  37 -18.395   5.899  -7.389
  722    HA   ASP  37           HA       ASP  37 -16.545   7.661  -8.537
  723    HB2  ASP  37           HB2      ASP  37 -19.562   7.611  -8.825
  724    HB3  ASP  37           HB1      ASP  37 -18.462   8.498  -9.876
  725    H    SER  38           HN       SER  38 -19.319   8.235  -6.360
  726    HA   SER  38           HA       SER  38 -19.162  11.009  -6.287
  727    HB2  SER  38           HB2      SER  38 -21.033   9.730  -5.329
  728    HB3  SER  38           HB1      SER  38 -19.973   9.132  -4.054
  729    HG   SER  38           HG       SER  38 -20.394  10.893  -3.013
  730    H    TYR  39           HN       TYR  39 -17.499   8.601  -4.265
  731    HA   TYR  39           HA       TYR  39 -16.187  10.414  -2.579
  732    HB2  TYR  39           HB2      TYR  39 -16.078   8.235  -1.802
  733    HB3  TYR  39           HB1      TYR  39 -15.694   7.578  -3.391
  734    HD1  TYR  39           HD1      TYR  39 -14.281   9.517  -0.560
  735    HD2  TYR  39           HD2      TYR  39 -13.469   7.213  -4.040
  736    HE1  TYR  39           HE1      TYR  39 -11.895   9.500   0.015
  737    HE2  TYR  39           HE2      TYR  39 -11.084   7.191  -3.474
  738    HH   TYR  39           HH       TYR  39  -9.482   8.432  -2.170
  739    H    ARG  40           HN       ARG  40 -15.184   8.927  -5.627
  740    HA   ARG  40           HA       ARG  40 -12.603   9.943  -5.785
  741    HB2  ARG  40           HB2      ARG  40 -14.588   9.259  -7.953
  742    HB3  ARG  40           HB1      ARG  40 -12.911   9.682  -8.279
  743    HG2  ARG  40           HG2      ARG  40 -12.171   7.773  -6.947
  744    HG3  ARG  40           HG1      ARG  40 -13.853   7.351  -6.623
  745    HD2  ARG  40           HD2      ARG  40 -14.231   7.050  -9.025
  746    HD3  ARG  40           HD1      ARG  40 -12.545   7.458  -9.338
  747    HE   ARG  40           HE       ARG  40 -12.647   5.319  -7.523
  748   HH11  ARG  40          HH11      ARG  40 -13.312   6.027 -10.870
  749   HH12  ARG  40          HH12      ARG  40 -12.990   4.412 -11.409
  750   HH21  ARG  40          HH21      ARG  40 -12.221   3.190  -8.224
  751   HH22  ARG  40          HH22      ARG  40 -12.372   2.800  -9.905
  752    H    GLN  41           HN       GLN  41 -15.678  11.441  -6.573
  753    HA   GLN  41           HA       GLN  41 -14.653  13.750  -7.877
  754    HB2  GLN  41           HB2      GLN  41 -17.217  13.331  -6.334
  755    HB3  GLN  41           HB1      GLN  41 -16.849  14.773  -7.270
  756    HG2  GLN  41           HG2      GLN  41 -16.546  13.199  -9.251
  757    HG3  GLN  41           HG1      GLN  41 -17.337  11.985  -8.247
  758   HE21  GLN  41          HE21      GLN  41 -19.514  12.228  -7.728
  759   HE22  GLN  41          HE22      GLN  41 -20.544  13.328  -8.571
  760    H    GLN  42           HN       GLN  42 -15.604  13.192  -4.487
  761    HA   GLN  42           HA       GLN  42 -14.887  15.752  -3.567
  762    HB2  GLN  42           HB2      GLN  42 -16.289  14.183  -2.277
  763    HB3  GLN  42           HB1      GLN  42 -14.892  13.142  -2.036
  764    HG2  GLN  42           HG2      GLN  42 -13.776  14.942  -0.802
  765    HG3  GLN  42           HG1      GLN  42 -15.198  15.960  -1.023
  766   HE21  GLN  42          HE21      GLN  42 -13.934  14.997   1.429
  767   HE22  GLN  42          HE22      GLN  42 -15.161  14.141   2.293
  768    H    GLN  43           HN       GLN  43 -13.025  12.962  -4.344
  769    HA   GLN  43           HA       GLN  43 -10.648  13.783  -2.927
  770    HB2  GLN  43           HB2      GLN  43 -11.091  11.418  -3.228
  771    HB3  GLN  43           HB1      GLN  43 -11.171  11.616  -4.971
  772    HG2  GLN  43           HG2      GLN  43  -8.745  12.397  -4.812
  773    HG3  GLN  43           HG1      GLN  43  -8.775  11.725  -3.181
  774   HE21  GLN  43          HE21      GLN  43  -8.930   9.512  -2.900
  775   HE22  GLN  43          HE22      GLN  43  -8.660   8.392  -4.188
  776    H    GLN  44           HN       GLN  44 -11.865  13.858  -6.230
  777    HA   GLN  44           HA       GLN  44  -9.485  14.779  -7.451
  778    HB2  GLN  44           HB2      GLN  44 -11.504  13.749  -8.605
  779    HB3  GLN  44           HB1      GLN  44 -12.291  15.312  -8.427
  780    HG2  GLN  44           HG2      GLN  44 -11.355  15.110 -10.633
  781    HG3  GLN  44           HG1      GLN  44 -10.489  16.352  -9.729
  782   HE21  GLN  44          HE21      GLN  44  -8.373  15.938  -9.034
  783   HE22  GLN  44          HE22      GLN  44  -7.417  14.677  -9.729
  784    H    LEU  45           HN       LEU  45 -11.909  16.277  -5.559
  785    HA   LEU  45           HA       LEU  45 -11.857  18.917  -6.409
  786    HB2  LEU  45           HB2      LEU  45 -13.461  18.547  -4.818
  787    HB3  LEU  45           HB1      LEU  45 -12.426  17.510  -3.858
  788    HG   LEU  45           HG       LEU  45 -11.166  19.722  -3.295
  789   HD11  LEU  45          HD11      LEU  45 -13.871  20.778  -4.098
  790   HD12  LEU  45          HD12      LEU  45 -12.343  21.118  -4.911
  791   HD13  LEU  45          HD13      LEU  45 -12.609  21.684  -3.262
  792   HD21  LEU  45          HD21      LEU  45 -12.306  18.400  -1.644
  793   HD22  LEU  45          HD22      LEU  45 -13.872  19.017  -2.176
  794   HD23  LEU  45          HD23      LEU  45 -12.714  20.100  -1.404
  795    H    LEU  46           HN       LEU  46  -9.795  17.336  -3.974
  796    HA   LEU  46           HA       LEU  46  -7.978  19.636  -4.112
  797    HB2  LEU  46           HB2      LEU  46  -8.908  17.951  -1.959
  798    HB3  LEU  46           HB1      LEU  46  -7.156  17.969  -2.029
  799    HG   LEU  46           HG       LEU  46  -8.040  19.665  -0.489
  800   HD11  LEU  46          HD11      LEU  46  -6.754  21.551  -1.313
  801   HD12  LEU  46          HD12      LEU  46  -6.749  20.859  -2.936
  802   HD13  LEU  46          HD13      LEU  46  -5.903  20.037  -1.624
  803   HD21  LEU  46          HD21      LEU  46  -9.266  20.905  -2.948
  804   HD22  LEU  46          HD22      LEU  46  -9.255  21.594  -1.325
  805   HD23  LEU  46          HD23      LEU  46 -10.154  20.111  -1.648
  806    H    GLN  47           HN       GLN  47  -7.598  16.151  -3.442
  807    HA   GLN  47           HA       GLN  47  -6.034  14.640  -4.108
  808    HB2  GLN  47           HB2      GLN  47  -7.120  15.610  -6.363
  809    HB3  GLN  47           HB1      GLN  47  -5.456  16.114  -6.620
  810    HG2  GLN  47           HG2      GLN  47  -6.285  13.296  -5.994
  811    HG3  GLN  47           HG1      GLN  47  -6.041  13.920  -7.625
  812   HE21  GLN  47          HE21      GLN  47  -4.509  13.027  -4.632
  813   HE22  GLN  47          HE22      GLN  47  -2.893  12.977  -5.240
  814    H    ARG  48           HN       ARG  48  -5.115  16.747  -2.489
  815    HA   ARG  48           HA       ARG  48  -2.290  16.677  -3.167
  816    HB2  ARG  48           HB2      ARG  48  -3.815  19.253  -2.775
  817    HB3  ARG  48           HB1      ARG  48  -2.064  19.139  -2.673
  818    HG2  ARG  48           HG2      ARG  48  -1.959  18.396  -4.979
  819    HG3  ARG  48           HG1      ARG  48  -3.719  18.452  -5.088
  820    HD2  ARG  48           HD2      ARG  48  -2.716  20.438  -6.086
  821    HD3  ARG  48           HD1      ARG  48  -3.672  20.857  -4.665
  822    HE   ARG  48           HE       ARG  48  -1.030  20.492  -3.847
  823   HH11  ARG  48          HH11      ARG  48  -2.889  22.662  -5.842
  824   HH12  ARG  48          HH12      ARG  48  -1.844  24.015  -5.568
  825   HH21  ARG  48          HH21      ARG  48   0.351  22.268  -3.481
  826   HH22  ARG  48          HH22      ARG  48  -0.002  23.791  -4.227
  827    H    ASP   1           HT1      ASP   1   7.683  14.704 -15.716
  828    HA   ASP   1           HA       ASP   1   6.444  15.868 -14.027
  829    HB2  ASP   1           HB2      ASP   1   4.617  16.617 -15.536
  830    HB3  ASP   1           HB1      ASP   1   4.005  14.966 -15.579
  831    H    GLU   2           HN       GLU   2   7.423  14.285 -12.826
  832    HA   GLU   2           HA       GLU   2   5.757  12.119 -11.964
  833    HB2  GLU   2           HB2      GLU   2   7.340  10.310 -12.520
  834    HB3  GLU   2           HB1      GLU   2   6.666  11.067 -13.956
  835    HG2  GLU   2           HG2      GLU   2   8.709  12.344 -14.265
  836    HG3  GLU   2           HG1      GLU   2   9.385  11.640 -12.797
  837    H    ASP   3           HN       ASP   3   7.407  14.495 -11.045
  838    HA   ASP   3           HA       ASP   3   9.411  13.332  -9.333
  839    HB2  ASP   3           HB2      ASP   3   8.267  16.133  -9.343
  840    HB3  ASP   3           HB1      ASP   3   9.713  15.610  -8.486
  841    H    THR   4           HN       THR   4   8.607  15.273  -7.103
  842    HA   THR   4           HA       THR   4   7.105  13.355  -5.622
  843    HB   THR   4           HB       THR   4   7.263  16.051  -4.490
  844    HG1  THR   4           HG1      THR   4   9.679  14.619  -4.556
  845   HG21  THR   4          HG21      THR   4   8.059  13.306  -3.521
  846   HG22  THR   4          HG22      THR   4   6.557  14.155  -3.148
  847   HG23  THR   4          HG23      THR   4   8.093  14.772  -2.540
  848    H    TYR   5           HN       TYR   5   5.103  13.449  -4.844
  849    HA   TYR   5           HA       TYR   5   3.237  15.308  -6.159
  850    HB2  TYR   5           HB2      TYR   5   3.077  12.346  -5.779
  851    HB3  TYR   5           HB1      TYR   5   1.658  13.336  -6.108
  852    HD1  TYR   5           HD2      TYR   5   1.651  14.746  -8.224
  853    HD2  TYR   5           HD1      TYR   5   4.470  11.640  -7.523
  854    HE1  TYR   5           HE2      TYR   5   2.121  14.638 -10.634
  855    HE2  TYR   5           HE1      TYR   5   4.947  11.520  -9.932
  856    HH   TYR   5           HH       TYR   5   3.981  13.903 -12.112
  857    H    TYR   6           HN       TYR   6   1.133  15.500  -4.862
  858    HA   TYR   6           HA       TYR   6   1.592  14.808  -2.046
  859    HB2  TYR   6           HB2      TYR   6  -0.341  16.932  -2.996
  860    HB3  TYR   6           HB1      TYR   6   0.316  16.710  -1.380
  861    HD1  TYR   6           HD2      TYR   6   3.203  16.351  -2.075
  862    HD2  TYR   6           HD1      TYR   6   0.326  19.142  -3.493
  863    HE1  TYR   6           HE2      TYR   6   5.007  17.936  -2.568
  864    HE2  TYR   6           HE1      TYR   6   2.124  20.743  -3.999
  865    HH   TYR   6           HH       TYR   6   4.431  21.207  -3.291
  866    H    LEU   7           HN       LEU   7   0.318  13.457  -1.075
  867    HA   LEU   7           HA       LEU   7  -2.090  12.479  -2.486
  868    HB2  LEU   7           HB2      LEU   7   0.210  11.202  -1.651
  869    HB3  LEU   7           HB1      LEU   7  -0.898  10.885  -0.345
  870    HG   LEU   7           HG       LEU   7  -2.083   9.386  -1.538
  871   HD11  LEU   7          HD11      LEU   7  -3.175  10.195  -3.289
  872   HD12  LEU   7          HD12      LEU   7  -1.802   9.620  -4.235
  873   HD13  LEU   7          HD13      LEU   7  -1.871  11.301  -3.707
  874   HD21  LEU   7          HD21      LEU   7   0.305   8.762  -1.551
  875   HD22  LEU   7          HD22      LEU   7   0.420   9.414  -3.187
  876   HD23  LEU   7          HD23      LEU   7  -0.631   8.035  -2.859
  877    H    GLN   8           HN       GLN   8  -3.835  13.540  -1.513
  878    HA   GLN   8           HA       GLN   8  -3.775  14.009   1.283
  879    HB2  GLN   8           HB2      GLN   8  -5.113  15.128  -0.803
  880    HB3  GLN   8           HB1      GLN   8  -6.383  14.182  -0.039
  881    HG2  GLN   8           HG2      GLN   8  -5.490  15.308   2.136
  882    HG3  GLN   8           HG1      GLN   8  -4.855  16.502   1.007
  883   HE21  GLN   8          HE21      GLN   8  -7.219  15.936  -0.802
  884   HE22  GLN   8          HE22      GLN   8  -8.521  16.813  -0.085
  885    H    VAL   9           HN       VAL   9  -4.131  12.581   2.780
  886    HA   VAL   9           HA       VAL   9  -5.975  10.411   2.155
  887    HB   VAL   9           HB       VAL   9  -3.376  10.311   3.672
  888   HG11  VAL   9          HG11      VAL   9  -3.897   7.959   4.218
  889   HG12  VAL   9          HG12      VAL   9  -5.549   8.232   3.665
  890   HG13  VAL   9          HG13      VAL   9  -4.923   9.123   5.053
  891   HG21  VAL   9          HG21      VAL   9  -2.750   8.647   2.084
  892   HG22  VAL   9          HG22      VAL   9  -3.400  10.028   1.200
  893   HG23  VAL   9          HG23      VAL   9  -4.385   8.583   1.429
  894    H    ARG  10           HN       ARG  10  -7.644  10.097   3.546
  895    HA   ARG  10           HA       ARG  10  -7.694  11.857   5.895
  896    HB2  ARG  10           HB2      ARG  10  -9.529  11.883   4.053
  897    HB3  ARG  10           HB1      ARG  10 -10.093  10.400   4.811
  898    HG2  ARG  10           HG2      ARG  10  -9.651  12.835   6.477
  899    HG3  ARG  10           HG1      ARG  10 -11.109  12.692   5.495
  900    HD2  ARG  10           HD2      ARG  10 -11.640  10.572   6.596
  901    HD3  ARG  10           HD1      ARG  10 -10.177  10.710   7.571
  902    HE   ARG  10           HE       ARG  10 -11.603  13.022   8.023
  903   HH11  ARG  10          HH11      ARG  10 -12.135   9.602   8.431
  904   HH12  ARG  10          HH12      ARG  10 -13.194   9.799   9.788
  905   HH21  ARG  10          HH21      ARG  10 -12.994  13.289   9.808
  906   HH22  ARG  10          HH22      ARG  10 -13.681  11.895  10.570
  907    H    GLY  11           HN       GLY  11  -7.987  11.121   7.915
  908    HA2  GLY  11           HA2      GLY  11  -8.465   9.509   9.580
  909    HA3  GLY  11           HA1      GLY  11  -8.507   8.268   8.335
  910    H    ARG  12           HN       ARG  12  -6.867   9.187  10.952
  911    HA   ARG  12           HA       ARG  12  -4.176   9.203  10.323
  912    HB2  ARG  12           HB2      ARG  12  -5.391   9.501  12.602
  913    HB3  ARG  12           HB1      ARG  12  -5.170   7.763  12.759
  914    HG2  ARG  12           HG2      ARG  12  -3.362   8.784  13.879
  915    HG3  ARG  12           HG1      ARG  12  -2.719   8.148  12.364
  916    HD2  ARG  12           HD2      ARG  12  -2.954  10.402  11.370
  917    HD3  ARG  12           HD1      ARG  12  -3.477  11.008  12.941
  918    HE   ARG  12           HE       ARG  12  -0.828   9.773  12.570
  919   HH11  ARG  12          HH11      ARG  12  -2.847  12.403  13.643
  920   HH12  ARG  12          HH12      ARG  12  -1.544  13.270  14.383
  921   HH21  ARG  12          HH21      ARG  12   0.893  10.909  13.540
  922   HH22  ARG  12          HH22      ARG  12   0.582  12.422  14.324
  923    H    GLU  13           HN       GLU  13  -6.138   6.278  11.009
  924    HA   GLU  13           HA       GLU  13  -4.095   4.442  10.876
  925    HB2  GLU  13           HB2      GLU  13  -6.383   3.885  11.552
  926    HB3  GLU  13           HB1      GLU  13  -6.932   4.091   9.894
  927    HG2  GLU  13           HG2      GLU  13  -5.618   2.207   9.176
  928    HG3  GLU  13           HG1      GLU  13  -4.913   2.044  10.783
  929    H    ASN  14           HN       ASN  14  -6.022   5.701   8.171
  930    HA   ASN  14           HA       ASN  14  -4.807   4.124   6.150
  931    HB2  ASN  14           HB2      ASN  14  -6.174   6.809   5.887
  932    HB3  ASN  14           HB1      ASN  14  -5.896   5.641   4.598
  933   HD21  ASN  14          HD21      ASN  14  -8.396   6.761   5.508
  934   HD22  ASN  14          HD22      ASN  14  -9.379   5.433   6.014
  935    H    PHE  15           HN       PHE  15  -4.226   7.418   7.328
  936    HA   PHE  15           HA       PHE  15  -2.265   8.183   5.512
  937    HB2  PHE  15           HB2      PHE  15  -3.398   9.683   7.133
  938    HB3  PHE  15           HB1      PHE  15  -2.450   8.961   8.427
  939    HD1  PHE  15           HD2      PHE  15  -1.373   9.964   4.997
  940    HD2  PHE  15           HD1      PHE  15  -1.109  10.679   9.193
  941    HE1  PHE  15           HE2      PHE  15   0.404  11.594   4.601
  942    HE2  PHE  15           HE1      PHE  15   0.698  12.310   8.789
  943    HZ   PHE  15           HZ       PHE  15   1.452  12.763   6.484
  944    H    GLU  16           HN       GLU  16  -1.898   6.542   8.646
  945    HA   GLU  16           HA       GLU  16   0.935   6.394   8.654
  946    HB2  GLU  16           HB2      GLU  16  -1.125   4.623   9.977
  947    HB3  GLU  16           HB1      GLU  16   0.600   4.587  10.318
  948    HG2  GLU  16           HG2      GLU  16   0.481   6.923  11.069
  949    HG3  GLU  16           HG1      GLU  16  -1.257   6.910  10.776
  950    H    ILE  17           HN       ILE  17  -1.477   4.022   7.494
  951    HA   ILE  17           HA       ILE  17   0.444   2.062   6.839
  952    HB   ILE  17           HB       ILE  17  -2.395   2.504   6.207
  953   HG12  ILE  17          HG12      ILE  17  -0.978  -0.110   6.617
  954   HG13  ILE  17          HG11      ILE  17  -1.246   0.975   7.973
  955   HG21  ILE  17          HG21      ILE  17  -0.688   0.775   4.418
  956   HG22  ILE  17          HG22      ILE  17  -1.542   2.244   3.937
  957   HG23  ILE  17          HG23      ILE  17  -2.453   0.814   4.428
  958   HD11  ILE  17          HD11      ILE  17  -3.619   0.816   7.693
  959   HD12  ILE  17          HD12      ILE  17  -2.940  -0.815   7.731
  960   HD13  ILE  17          HD13      ILE  17  -3.424  -0.094   6.194
  961    H    LEU  18           HN       LEU  18  -0.907   4.770   4.952
  962    HA   LEU  18           HA       LEU  18   0.451   4.035   2.537
  963    HB2  LEU  18           HB2      LEU  18  -1.112   6.416   3.478
  964    HB3  LEU  18           HB1      LEU  18  -0.228   6.453   1.965
  965    HG   LEU  18           HG       LEU  18  -2.071   4.164   2.354
  966   HD11  LEU  18          HD11      LEU  18  -4.044   5.357   1.947
  967   HD12  LEU  18          HD12      LEU  18  -3.171   6.836   1.558
  968   HD13  LEU  18          HD13      LEU  18  -3.236   6.265   3.225
  969   HD21  LEU  18          HD21      LEU  18  -0.843   4.326   0.308
  970   HD22  LEU  18          HD22      LEU  18  -1.339   6.002   0.082
  971   HD23  LEU  18          HD23      LEU  18  -2.529   4.706  -0.039
  972    H    MET  19           HN       MET  19   1.002   6.290   5.209
  973    HA   MET  19           HA       MET  19   3.160   7.664   4.065
  974    HB2  MET  19           HB2      MET  19   1.784   8.009   6.358
  975    HB3  MET  19           HB1      MET  19   3.189   7.195   7.018
  976    HG2  MET  19           HG2      MET  19   3.120   9.796   5.521
  977    HG3  MET  19           HG1      MET  19   3.483   9.542   7.222
  978    HE1  MET  19           HE1      MET  19   6.778  10.804   5.408
  979    HE2  MET  19           HE2      MET  19   5.649  11.157   6.714
  980    HE3  MET  19           HE3      MET  19   5.100  11.204   5.037
  981    H    LYS  20           HN       LYS  20   3.169   4.874   6.246
  982    HA   LYS  20           HA       LYS  20   5.930   4.388   6.288
  983    HB2  LYS  20           HB2      LYS  20   3.907   3.267   7.543
  984    HB3  LYS  20           HB1      LYS  20   3.946   2.149   6.188
  985    HG2  LYS  20           HG2      LYS  20   6.416   2.746   7.770
  986    HG3  LYS  20           HG1      LYS  20   5.243   1.546   8.313
  987    HD2  LYS  20           HD2      LYS  20   5.475   0.469   6.043
  988    HD3  LYS  20           HD1      LYS  20   6.840   1.551   5.761
  989    HE2  LYS  20           HE2      LYS  20   6.624  -0.365   8.076
  990    HE3  LYS  20           HE1      LYS  20   7.495  -0.700   6.582
  991    HZ1  LYS  20           HZ1      LYS  20   8.090   1.504   8.482
  992    HZ2  LYS  20           HZ2      LYS  20   8.921   1.205   7.040
  993    HZ3  LYS  20           HZ3      LYS  20   8.988   0.081   8.302
  994    H    LEU  21           HN       LEU  21   3.414   3.597   3.981
  995    HA   LEU  21           HA       LEU  21   5.054   1.970   2.335
  996    HB2  LEU  21           HB2      LEU  21   2.448   2.190   2.509
  997    HB3  LEU  21           HB1      LEU  21   2.649   3.465   1.330
  998    HG   LEU  21           HG       LEU  21   3.056   0.524   1.017
  999   HD11  LEU  21          HD11      LEU  21   1.594   0.796  -0.852
 1000   HD12  LEU  21          HD12      LEU  21   1.676   2.550  -0.723
 1001   HD13  LEU  21          HD13      LEU  21   0.878   1.612   0.537
 1002   HD21  LEU  21          HD21      LEU  21   4.169   2.638  -0.820
 1003   HD22  LEU  21          HD22      LEU  21   4.077   0.911  -1.174
 1004   HD23  LEU  21          HD23      LEU  21   5.103   1.489   0.139
 1005    H    LYS  22           HN       LYS  22   4.192   5.409   2.183
 1006    HA   LYS  22           HA       LYS  22   5.372   6.050  -0.247
 1007    HB2  LYS  22           HB2      LYS  22   4.092   7.715   0.957
 1008    HB3  LYS  22           HB1      LYS  22   5.196   7.642   2.324
 1009    HG2  LYS  22           HG2      LYS  22   6.738   8.291   0.052
 1010    HG3  LYS  22           HG1      LYS  22   5.300   9.311   0.021
 1011    HD2  LYS  22           HD2      LYS  22   6.946   8.978   2.509
 1012    HD3  LYS  22           HD1      LYS  22   7.348  10.182   1.284
 1013    HE2  LYS  22           HE2      LYS  22   4.855  10.875   1.529
 1014    HE3  LYS  22           HE1      LYS  22   4.952  10.015   3.065
 1015    HZ1  LYS  22           HZ1      LYS  22   6.817  11.439   3.685
 1016    HZ2  LYS  22           HZ2      LYS  22   5.429  12.351   3.363
 1017    HZ3  LYS  22           HZ3      LYS  22   6.678  12.281   2.224
 1018    H    GLU  23           HN       GLU  23   6.652   5.606   2.939
 1019    HA   GLU  23           HA       GLU  23   9.353   6.310   2.480
 1020    HB2  GLU  23           HB2      GLU  23   8.089   5.953   4.696
 1021    HB3  GLU  23           HB1      GLU  23   8.342   4.238   4.432
 1022    HG2  GLU  23           HG2      GLU  23  10.822   4.818   4.289
 1023    HG3  GLU  23           HG1      GLU  23  10.356   6.371   4.979
 1024    H    SER  24           HN       SER  24   7.659   3.170   2.343
 1025    HA   SER  24           HA       SER  24   9.922   1.705   1.673
 1026    HB2  SER  24           HB2      SER  24   7.214   0.884   0.660
 1027    HB3  SER  24           HB1      SER  24   8.491  -0.120   1.344
 1028    HG   SER  24           HG       SER  24   6.455   0.612   2.631
 1029    H    LEU  25           HN       LEU  25   7.421   3.027  -0.496
 1030    HA   LEU  25           HA       LEU  25   8.497   2.046  -2.919
 1031    HB2  LEU  25           HB2      LEU  25   6.613   4.254  -2.198
 1032    HB3  LEU  25           HB1      LEU  25   7.175   4.073  -3.848
 1033    HG   LEU  25           HG       LEU  25   5.809   1.858  -2.326
 1034   HD11  LEU  25          HD11      LEU  25   4.194   3.577  -2.457
 1035   HD12  LEU  25          HD12      LEU  25   3.838   2.460  -3.775
 1036   HD13  LEU  25          HD13      LEU  25   4.657   3.986  -4.108
 1037   HD21  LEU  25          HD21      LEU  25   5.529   0.834  -4.469
 1038   HD22  LEU  25          HD22      LEU  25   7.235   1.247  -4.273
 1039   HD23  LEU  25          HD23      LEU  25   6.196   2.250  -5.288
 1040    H    GLU  26           HN       GLU  26   8.969   5.157  -1.278
 1041    HA   GLU  26           HA       GLU  26  10.569   6.266  -3.343
 1042    HB2  GLU  26           HB2      GLU  26  10.144   6.972  -0.458
 1043    HB3  GLU  26           HB1      GLU  26  11.315   7.836  -1.446
 1044    HG2  GLU  26           HG2      GLU  26   9.372   8.195  -3.079
 1045    HG3  GLU  26           HG1      GLU  26   8.338   7.719  -1.732
 1046    H    LEU  27           HN       LEU  27  11.347   4.573  -0.340
 1047    HA   LEU  27           HA       LEU  27  14.159   4.855  -0.384
 1048    HB2  LEU  27           HB2      LEU  27  12.271   2.913   0.871
 1049    HB3  LEU  27           HB1      LEU  27  13.997   2.623   0.926
 1050    HG   LEU  27           HG       LEU  27  12.605   5.063   2.036
 1051   HD11  LEU  27          HD11      LEU  27  12.849   4.142   4.165
 1052   HD12  LEU  27          HD12      LEU  27  13.976   2.908   3.601
 1053   HD13  LEU  27          HD13      LEU  27  12.268   2.802   3.178
 1054   HD21  LEU  27          HD21      LEU  27  14.766   5.600   3.030
 1055   HD22  LEU  27          HD22      LEU  27  14.898   5.524   1.274
 1056   HD23  LEU  27          HD23      LEU  27  15.486   4.185   2.261
 1057    H    MET  28           HN       MET  28  12.100   2.441  -2.029
 1058    HA   MET  28           HA       MET  28  14.129   0.676  -2.549
 1059    HB2  MET  28           HB2      MET  28  11.979   1.343  -4.576
 1060    HB3  MET  28           HB1      MET  28  12.880  -0.160  -4.474
 1061    HG2  MET  28           HG2      MET  28  11.753  -0.839  -2.554
 1062    HG3  MET  28           HG1      MET  28  11.140   0.780  -2.238
 1063    HE1  MET  28           HE1      MET  28   9.275  -2.477  -4.713
 1064    HE2  MET  28           HE2      MET  28  10.444  -2.563  -3.391
 1065    HE3  MET  28           HE3      MET  28  10.977  -2.125  -5.016
 1066    H    GLU  29           HN       GLU  29  14.065   3.886  -3.705
 1067    HA   GLU  29           HA       GLU  29  15.634   3.270  -6.068
 1068    HB2  GLU  29           HB2      GLU  29  15.373   5.510  -6.668
 1069    HB3  GLU  29           HB1      GLU  29  13.852   5.111  -5.882
 1070    HG2  GLU  29           HG2      GLU  29  14.771   6.111  -3.783
 1071    HG3  GLU  29           HG1      GLU  29  16.156   6.657  -4.724
 1072    H    LEU  30           HN       LEU  30  16.142   4.146  -2.758
 1073    HA   LEU  30           HA       LEU  30  18.808   5.168  -3.305
 1074    HB2  LEU  30           HB2      LEU  30  18.670   6.254  -1.350
 1075    HB3  LEU  30           HB1      LEU  30  16.961   5.905  -1.471
 1076    HG   LEU  30           HG       LEU  30  18.963   4.306   0.110
 1077   HD11  LEU  30          HD11      LEU  30  16.819   6.229   0.993
 1078   HD12  LEU  30          HD12      LEU  30  18.559   6.504   1.072
 1079   HD13  LEU  30          HD13      LEU  30  17.819   5.246   2.062
 1080   HD21  LEU  30          HD21      LEU  30  15.976   4.055  -0.107
 1081   HD22  LEU  30          HD22      LEU  30  16.973   3.215   1.075
 1082   HD23  LEU  30          HD23      LEU  30  17.173   2.877  -0.643
 1083    H    VAL  31           HN       VAL  31  17.489   2.233  -3.097
 1084    HA   VAL  31           HA       VAL  31  19.796   1.042  -1.731
 1085    HB   VAL  31           HB       VAL  31  17.761   0.104  -0.912
 1086   HG11  VAL  31          HG11      VAL  31  16.993  -0.369  -3.787
 1087   HG12  VAL  31          HG12      VAL  31  16.252   0.780  -2.674
 1088   HG13  VAL  31          HG13      VAL  31  16.096  -0.953  -2.386
 1089   HG21  VAL  31          HG21      VAL  31  19.180  -1.674  -0.964
 1090   HG22  VAL  31          HG22      VAL  31  19.413  -1.584  -2.709
 1091   HG23  VAL  31          HG23      VAL  31  17.937  -2.286  -2.054
 1092    HA   PRO  32           HA       PRO  32  21.842   0.587  -5.654
 1093    HB2  PRO  32           HB2      PRO  32  22.655  -1.985  -4.330
 1094    HB3  PRO  32           HB1      PRO  32  23.641  -0.847  -5.257
 1095    HG2  PRO  32           HG2      PRO  32  23.681  -0.854  -2.581
 1096    HG3  PRO  32           HG1      PRO  32  23.800   0.653  -3.505
 1097    HD2  PRO  32           HD2      PRO  32  21.558  -0.386  -1.884
 1098    HD3  PRO  32           HD1      PRO  32  21.937   1.286  -2.346
 1099    H    GLN  33           HN       GLN  33  20.923  -0.114  -7.484
 1100    HA   GLN  33           HA       GLN  33  18.678  -1.685  -7.663
 1101    HB2  GLN  33           HB2      GLN  33  19.521  -0.176  -9.439
 1102    HB3  GLN  33           HB1      GLN  33  20.762  -1.357  -9.824
 1103    HG2  GLN  33           HG2      GLN  33  18.954  -1.541 -11.392
 1104    HG3  GLN  33           HG1      GLN  33  19.013  -2.987 -10.386
 1105   HE21  GLN  33          HE21      GLN  33  17.257  -0.090 -11.151
 1106   HE22  GLN  33          HE22      GLN  33  15.801  -0.508 -10.320
 1107    HA   PRO  34           HA       PRO  34  21.571  -5.485  -8.899
 1108    HB2  PRO  34           HB2      PRO  34  23.804  -4.878  -7.036
 1109    HB3  PRO  34           HB1      PRO  34  23.846  -5.593  -8.651
 1110    HG2  PRO  34           HG2      PRO  34  24.621  -3.078  -8.265
 1111    HG3  PRO  34           HG1      PRO  34  23.699  -3.535  -9.711
 1112    HD2  PRO  34           HD2      PRO  34  22.774  -2.136  -7.233
 1113    HD3  PRO  34           HD1      PRO  34  22.329  -1.844  -8.926
 1114    H    LEU  35           HN       LEU  35  21.406  -3.994  -5.713
 1115    HA   LEU  35           HA       LEU  35  21.406  -6.491  -4.294
 1116    HB2  LEU  35           HB2      LEU  35  22.283  -4.356  -3.356
 1117    HB3  LEU  35           HB1      LEU  35  20.652  -3.719  -3.357
 1118    HG   LEU  35           HG       LEU  35  19.974  -5.350  -1.701
 1119   HD11  LEU  35          HD11      LEU  35  21.550  -6.869  -0.660
 1120   HD12  LEU  35          HD12      LEU  35  22.814  -6.338  -1.771
 1121   HD13  LEU  35          HD13      LEU  35  21.407  -7.206  -2.386
 1122   HD21  LEU  35          HD21      LEU  35  22.518  -3.923  -0.967
 1123   HD22  LEU  35          HD22      LEU  35  21.346  -4.573   0.180
 1124   HD23  LEU  35          HD23      LEU  35  20.885  -3.259  -0.902
 1125    H    VAL  36           HN       VAL  36  19.050  -4.286  -5.618
 1126    HA   VAL  36           HA       VAL  36  16.770  -5.454  -4.285
 1127    HB   VAL  36           HB       VAL  36  16.951  -3.666  -6.728
 1128   HG11  VAL  36          HG11      VAL  36  14.506  -3.372  -6.460
 1129   HG12  VAL  36          HG12      VAL  36  14.514  -4.660  -5.255
 1130   HG13  VAL  36          HG13      VAL  36  14.959  -5.012  -6.925
 1131   HG21  VAL  36          HG21      VAL  36  16.050  -3.089  -3.907
 1132   HG22  VAL  36          HG22      VAL  36  16.084  -1.939  -5.244
 1133   HG23  VAL  36          HG23      VAL  36  17.591  -2.604  -4.615
 1134    H    ASP  37           HN       ASP  37  18.399  -5.898  -7.386
 1135    HA   ASP  37           HA       ASP  37  16.548  -7.661  -8.534
 1136    HB2  ASP  37           HB2      ASP  37  19.565  -7.612  -8.822
 1137    HB3  ASP  37           HB1      ASP  37  18.465  -8.498  -9.873
 1138    H    SER  38           HN       SER  38  19.323  -8.234  -6.356
 1139    HA   SER  38           HA       SER  38  19.166 -11.009  -6.283
 1140    HB2  SER  38           HB2      SER  38  21.037  -9.728  -5.324
 1141    HB3  SER  38           HB1      SER  38  19.976  -9.132  -4.049
 1142    HG   SER  38           HG       SER  38  20.399 -10.893  -3.009
 1143    H    TYR  39           HN       TYR  39  17.503  -8.600  -4.261
 1144    HA   TYR  39           HA       TYR  39  16.191 -10.412  -2.575
 1145    HB2  TYR  39           HB2      TYR  39  16.081  -8.233  -1.799
 1146    HB3  TYR  39           HB1      TYR  39  15.698  -7.577  -3.388
 1147    HD1  TYR  39           HD1      TYR  39  14.284  -9.515  -0.556
 1148    HD2  TYR  39           HD2      TYR  39  13.471  -7.211  -4.037
 1149    HE1  TYR  39           HE1      TYR  39  11.898  -9.499   0.019
 1150    HE2  TYR  39           HE2      TYR  39  11.086  -7.190  -3.471
 1151    HH   TYR  39           HH       TYR  39   9.485  -8.434  -2.167
 1152    H    ARG  40           HN       ARG  40  15.188  -8.926  -5.624
 1153    HA   ARG  40           HA       ARG  40  12.607  -9.943  -5.782
 1154    HB2  ARG  40           HB2      ARG  40  14.591  -9.259  -7.949
 1155    HB3  ARG  40           HB1      ARG  40  12.915  -9.682  -8.275
 1156    HG2  ARG  40           HG2      ARG  40  12.174  -7.774  -6.942
 1157    HG3  ARG  40           HG1      ARG  40  13.857  -7.351  -6.618
 1158    HD2  ARG  40           HD2      ARG  40  14.234  -7.049  -9.021
 1159    HD3  ARG  40           HD1      ARG  40  12.548  -7.458  -9.334
 1160    HE   ARG  40           HE       ARG  40  12.650  -5.319  -7.519
 1161   HH11  ARG  40          HH11      ARG  40  13.316  -6.028 -10.866
 1162   HH12  ARG  40          HH12      ARG  40  12.995  -4.413 -11.405
 1163   HH21  ARG  40          HH21      ARG  40  12.226  -3.191  -8.221
 1164   HH22  ARG  40          HH22      ARG  40  12.377  -2.801  -9.902
 1165    H    GLN  41           HN       GLN  41  15.682 -11.441  -6.568
 1166    HA   GLN  41           HA       GLN  41  14.657 -13.751  -7.873
 1167    HB2  GLN  41           HB2      GLN  41  17.222 -13.333  -6.330
 1168    HB3  GLN  41           HB1      GLN  41  16.854 -14.774  -7.267
 1169    HG2  GLN  41           HG2      GLN  41  16.551 -13.198  -9.247
 1170    HG3  GLN  41           HG1      GLN  41  17.342 -11.986  -8.242
 1171   HE21  GLN  41          HE21      GLN  41  19.519 -12.228  -7.725
 1172   HE22  GLN  41          HE22      GLN  41  20.549 -13.328  -8.569
 1173    H    GLN  42           HN       GLN  42  15.607 -13.192  -4.484
 1174    HA   GLN  42           HA       GLN  42  14.892 -15.752  -3.562
 1175    HB2  GLN  42           HB2      GLN  42  16.293 -14.184  -2.273
 1176    HB3  GLN  42           HB1      GLN  42  14.897 -13.141  -2.033
 1177    HG2  GLN  42           HG2      GLN  42  13.780 -14.939  -0.796
 1178    HG3  GLN  42           HG1      GLN  42  15.201 -15.959  -1.018
 1179   HE21  GLN  42          HE21      GLN  42  13.940 -14.995   1.434
 1180   HE22  GLN  42          HE22      GLN  42  15.167 -14.138   2.297
 1181    H    GLN  43           HN       GLN  43  13.030 -12.963  -4.341
 1182    HA   GLN  43           HA       GLN  43  10.653 -13.782  -2.922
 1183    HB2  GLN  43           HB2      GLN  43  11.097 -11.417  -3.226
 1184    HB3  GLN  43           HB1      GLN  43  11.174 -11.618  -4.969
 1185    HG2  GLN  43           HG2      GLN  43   8.750 -12.398  -4.809
 1186    HG3  GLN  43           HG1      GLN  43   8.779 -11.727  -3.177
 1187   HE21  GLN  43          HE21      GLN  43   8.935  -9.513  -2.896
 1188   HE22  GLN  43          HE22      GLN  43   8.664  -8.394  -4.184
 1189    H    GLN  44           HN       GLN  44  11.870 -13.860  -6.224
 1190    HA   GLN  44           HA       GLN  44   9.489 -14.780  -7.446
 1191    HB2  GLN  44           HB2      GLN  44  11.507 -13.750  -8.600
 1192    HB3  GLN  44           HB1      GLN  44  12.296 -15.311  -8.421
 1193    HG2  GLN  44           HG2      GLN  44  11.360 -15.112 -10.628
 1194    HG3  GLN  44           HG1      GLN  44  10.494 -16.353  -9.722
 1195   HE21  GLN  44          HE21      GLN  44   8.378 -15.940  -9.030
 1196   HE22  GLN  44          HE22      GLN  44   7.422 -14.680  -9.725
 1197    H    LEU  45           HN       LEU  45  11.912 -16.277  -5.553
 1198    HA   LEU  45           HA       LEU  45  11.861 -18.918  -6.403
 1199    HB2  LEU  45           HB2      LEU  45  13.465 -18.547  -4.813
 1200    HB3  LEU  45           HB1      LEU  45  12.430 -17.510  -3.853
 1201    HG   LEU  45           HG       LEU  45  11.171 -19.723  -3.289
 1202   HD11  LEU  45          HD11      LEU  45  13.876 -20.778  -4.092
 1203   HD12  LEU  45          HD12      LEU  45  12.348 -21.118  -4.905
 1204   HD13  LEU  45          HD13      LEU  45  12.614 -21.684  -3.256
 1205   HD21  LEU  45          HD21      LEU  45  12.312 -18.399  -1.639
 1206   HD22  LEU  45          HD22      LEU  45  13.877 -19.016  -2.172
 1207   HD23  LEU  45          HD23      LEU  45  12.719 -20.099  -1.399
 1208    H    LEU  46           HN       LEU  46   9.800 -17.336  -3.969
 1209    HA   LEU  46           HA       LEU  46   7.983 -19.637  -4.107
 1210    HB2  LEU  46           HB2      LEU  46   8.912 -17.952  -1.954
 1211    HB3  LEU  46           HB1      LEU  46   7.161 -17.971  -2.023
 1212    HG   LEU  46           HG       LEU  46   8.045 -19.665  -0.483
 1213   HD11  LEU  46          HD11      LEU  46   6.759 -21.551  -1.308
 1214   HD12  LEU  46          HD12      LEU  46   6.754 -20.860  -2.930
 1215   HD13  LEU  46          HD13      LEU  46   5.908 -20.038  -1.619
 1216   HD21  LEU  46          HD21      LEU  46   9.271 -20.905  -2.944
 1217   HD22  LEU  46          HD22      LEU  46   9.261 -21.594  -1.320
 1218   HD23  LEU  46          HD23      LEU  46  10.159 -20.111  -1.643
 1219    H    GLN  47           HN       GLN  47   7.603 -16.152  -3.438
 1220    HA   GLN  47           HA       GLN  47   6.040 -14.641  -4.104
 1221    HB2  GLN  47           HB2      GLN  47   7.124 -15.612  -6.359
 1222    HB3  GLN  47           HB1      GLN  47   5.460 -16.116  -6.614
 1223    HG2  GLN  47           HG2      GLN  47   6.290 -13.297  -5.990
 1224    HG3  GLN  47           HG1      GLN  47   6.046 -13.922  -7.620
 1225   HE21  GLN  47          HE21      GLN  47   4.514 -13.029  -4.627
 1226   HE22  GLN  47          HE22      GLN  47   2.897 -12.979  -5.235
 1227    H    ARG  48           HN       ARG  48   5.120 -16.749  -2.485
 1228    HA   ARG  48           HA       ARG  48   2.296 -16.678  -3.162
 1229    HB2  ARG  48           HB2      ARG  48   3.820 -19.254  -2.771
 1230    HB3  ARG  48           HB1      ARG  48   2.069 -19.141  -2.669
 1231    HG2  ARG  48           HG2      ARG  48   1.964 -18.398  -4.974
 1232    HG3  ARG  48           HG1      ARG  48   3.724 -18.454  -5.083
 1233    HD2  ARG  48           HD2      ARG  48   2.724 -20.440  -6.081
 1234    HD3  ARG  48           HD1      ARG  48   3.677 -20.859  -4.657
 1235    HE   ARG  48           HE       ARG  48   1.033 -20.492  -3.845
 1236   HH11  ARG  48          HH11      ARG  48   2.894 -22.664  -5.839
 1237   HH12  ARG  48          HH12      ARG  48   1.850 -24.018  -5.561
 1238   HH21  ARG  48          HH21      ARG  48  -0.345 -22.269  -3.474
 1239   HH22  ARG  48          HH22      ARG  48   0.008 -23.793  -4.219
 1240    H    ASP   1           HT1      ASP   1  -7.673  14.713  15.719
 1241    HA   ASP   1           HA       ASP   1  -6.432  15.875  14.029
 1242    HB2  ASP   1           HB2      ASP   1  -4.605  16.621  15.539
 1243    HB3  ASP   1           HB1      ASP   1  -3.995  14.970  15.582
 1244    H    GLU   2           HN       GLU   2  -7.414  14.292  12.828
 1245    HA   GLU   2           HA       GLU   2  -5.748  12.125  11.965
 1246    HB2  GLU   2           HB2      GLU   2  -7.335  10.317  12.520
 1247    HB3  GLU   2           HB1      GLU   2  -6.660  11.072  13.957
 1248    HG2  GLU   2           HG2      GLU   2  -8.701  12.352  14.267
 1249    HG3  GLU   2           HG1      GLU   2  -9.377  11.650  12.798
 1250    H    ASP   3           HN       ASP   3  -7.395  14.501  11.046
 1251    HA   ASP   3           HA       ASP   3  -9.400  13.340   9.333
 1252    HB2  ASP   3           HB2      ASP   3  -8.254  16.141   9.344
 1253    HB3  ASP   3           HB1      ASP   3  -9.701  15.619   8.487
 1254    H    THR   4           HN       THR   4  -8.595  15.282   7.104
 1255    HA   THR   4           HA       THR   4  -7.094  13.363   5.624
 1256    HB   THR   4           HB       THR   4  -7.249  16.059   4.491
 1257    HG1  THR   4           HG1      THR   4  -9.665  14.629   4.556
 1258   HG21  THR   4          HG21      THR   4  -8.046  13.314   3.523
 1259   HG22  THR   4          HG22      THR   4  -6.544  14.162   3.150
 1260   HG23  THR   4          HG23      THR   4  -8.079  14.780   2.541
 1261    H    TYR   5           HN       TYR   5  -5.091  13.454   4.847
 1262    HA   TYR   5           HA       TYR   5  -3.223  15.311   6.162
 1263    HB2  TYR   5           HB2      TYR   5  -3.067  12.349   5.782
 1264    HB3  TYR   5           HB1      TYR   5  -1.647  13.337   6.111
 1265    HD1  TYR   5           HD2      TYR   5  -1.638  14.746   8.228
 1266    HD2  TYR   5           HD1      TYR   5  -4.461  11.643   7.526
 1267    HE1  TYR   5           HE2      TYR   5  -2.109  14.640  10.637
 1268    HE2  TYR   5           HE1      TYR   5  -4.938  11.524   9.935
 1269    HH   TYR   5           HH       TYR   5  -3.973  13.907  12.114
 1270    H    TYR   6           HN       TYR   6  -1.119  15.501   4.866
 1271    HA   TYR   6           HA       TYR   6  -1.578  14.808   2.051
 1272    HB2  TYR   6           HB2      TYR   6   0.357  16.931   3.001
 1273    HB3  TYR   6           HB1      TYR   6  -0.301  16.710   1.384
 1274    HD1  TYR   6           HD2      TYR   6  -3.187  16.353   2.079
 1275    HD2  TYR   6           HD1      TYR   6  -0.308  19.141   3.499
 1276    HE1  TYR   6           HE2      TYR   6  -4.990  17.941   2.569
 1277    HE2  TYR   6           HE1      TYR   6  -2.105  20.744   4.002
 1278    HH   TYR   6           HH       TYR   6  -4.410  21.212   3.295
 1279    H    LEU   7           HN       LEU   7  -0.305  13.457   1.079
 1280    HA   LEU   7           HA       LEU   7   2.101  12.476   2.489
 1281    HB2  LEU   7           HB2      LEU   7  -0.200  11.202   1.654
 1282    HB3  LEU   7           HB1      LEU   7   0.908  10.884   0.349
 1283    HG   LEU   7           HG       LEU   7   2.091   9.383   1.542
 1284   HD11  LEU   7          HD11      LEU   7   3.184  10.194   3.292
 1285   HD12  LEU   7          HD12      LEU   7   1.812   9.617   4.238
 1286   HD13  LEU   7          HD13      LEU   7   1.880  11.299   3.710
 1287   HD21  LEU   7          HD21      LEU   7  -0.297   8.762   1.555
 1288   HD22  LEU   7          HD22      LEU   7  -0.412   9.413   3.191
 1289   HD23  LEU   7          HD23      LEU   7   0.638   8.033   2.863
 1290    H    GLN   8           HN       GLN   8   3.848  13.535   1.517
 1291    HA   GLN   8           HA       GLN   8   3.789  14.004  -1.280
 1292    HB2  GLN   8           HB2      GLN   8   5.129  15.121   0.808
 1293    HB3  GLN   8           HB1      GLN   8   6.397  14.173   0.042
 1294    HG2  GLN   8           HG2      GLN   8   5.505  15.303  -2.131
 1295    HG3  GLN   8           HG1      GLN   8   4.872  16.497  -1.001
 1296   HE21  GLN   8          HE21      GLN   8   7.237  15.925   0.807
 1297   HE22  GLN   8          HE22      GLN   8   8.539  16.801   0.089
 1298    H    VAL   9           HN       VAL   9   4.144  12.575  -2.776
 1299    HA   VAL   9           HA       VAL   9   5.986  10.404  -2.150
 1300    HB   VAL   9           HB       VAL   9   3.387  10.306  -3.667
 1301   HG11  VAL   9          HG11      VAL   9   3.905   7.954  -4.214
 1302   HG12  VAL   9          HG12      VAL   9   5.558   8.225  -3.661
 1303   HG13  VAL   9          HG13      VAL   9   4.933   9.117  -5.049
 1304   HG21  VAL   9          HG21      VAL   9   2.759   8.642  -2.079
 1305   HG22  VAL   9          HG22      VAL   9   3.410  10.023  -1.195
 1306   HG23  VAL   9          HG23      VAL   9   4.394   8.577  -1.424
 1307    H    ARG  10           HN       ARG  10   7.654  10.088  -3.541
 1308    HA   ARG  10           HA       ARG  10   7.706  11.847  -5.891
 1309    HB2  ARG  10           HB2      ARG  10   9.540  11.872  -4.047
 1310    HB3  ARG  10           HB1      ARG  10  10.104  10.389  -4.804
 1311    HG2  ARG  10           HG2      ARG  10   9.664  12.823  -6.471
 1312    HG3  ARG  10           HG1      ARG  10  11.122  12.679  -5.489
 1313    HD2  ARG  10           HD2      ARG  10  11.650  10.558  -6.589
 1314    HD3  ARG  10           HD1      ARG  10  10.189  10.698  -7.564
 1315    HE   ARG  10           HE       ARG  10  11.617  13.009  -8.015
 1316   HH11  ARG  10          HH11      ARG  10  12.146   9.588  -8.424
 1317   HH12  ARG  10          HH12      ARG  10  13.205   9.784  -9.780
 1318   HH21  ARG  10          HH21      ARG  10  13.009  13.275  -9.799
 1319   HH22  ARG  10          HH22      ARG  10  13.695  11.880 -10.562
 1320    H    GLY  11           HN       GLY  11   8.000  11.111  -7.910
 1321    HA2  GLY  11           HA2      GLY  11   8.475   9.500  -9.575
 1322    HA3  GLY  11           HA1      GLY  11   8.516   8.258  -8.331
 1323    H    ARG  12           HN       ARG  12   6.879   9.179 -10.947
 1324    HA   ARG  12           HA       ARG  12   4.187   9.197 -10.318
 1325    HB2  ARG  12           HB2      ARG  12   5.402   9.494 -12.597
 1326    HB3  ARG  12           HB1      ARG  12   5.180   7.756 -12.753
 1327    HG2  ARG  12           HG2      ARG  12   3.373   8.777 -13.874
 1328    HG3  ARG  12           HG1      ARG  12   2.730   8.143 -12.357
 1329    HD2  ARG  12           HD2      ARG  12   2.966  10.398 -11.366
 1330    HD3  ARG  12           HD1      ARG  12   3.491  11.002 -12.936
 1331    HE   ARG  12           HE       ARG  12   0.841   9.771 -12.567
 1332   HH11  ARG  12          HH11      ARG  12   2.863  12.400 -13.639
 1333   HH12  ARG  12          HH12      ARG  12   1.560  13.269 -14.378
 1334   HH21  ARG  12          HH21      ARG  12  -0.878  10.908 -13.537
 1335   HH22  ARG  12          HH22      ARG  12  -0.566  12.421 -14.320
 1336    H    GLU  13           HN       GLU  13   6.146   6.270 -11.005
 1337    HA   GLU  13           HA       GLU  13   4.101   4.436 -10.873
 1338    HB2  GLU  13           HB2      GLU  13   6.390   3.877 -11.546
 1339    HB3  GLU  13           HB1      GLU  13   6.937   4.082  -9.888
 1340    HG2  GLU  13           HG2      GLU  13   5.622   2.200  -9.170
 1341    HG3  GLU  13           HG1      GLU  13   4.916   2.038 -10.777
 1342    H    ASN  14           HN       ASN  14   6.028   5.694  -8.167
 1343    HA   ASN  14           HA       ASN  14   4.811   4.119  -6.146
 1344    HB2  ASN  14           HB2      ASN  14   6.181   6.801  -5.881
 1345    HB3  ASN  14           HB1      ASN  14   5.901   5.632  -4.594
 1346   HD21  ASN  14          HD21      ASN  14   8.405   6.750  -5.502
 1347   HD22  ASN  14          HD22      ASN  14   9.384   5.421  -6.008
 1348    H    PHE  15           HN       PHE  15   4.235   7.414  -7.322
 1349    HA   PHE  15           HA       PHE  15   2.274   8.180  -5.506
 1350    HB2  PHE  15           HB2      PHE  15   3.410   9.678  -7.127
 1351    HB3  PHE  15           HB1      PHE  15   2.461   8.957  -8.422
 1352    HD1  PHE  15           HD2      PHE  15   1.384   9.963  -4.992
 1353    HD2  PHE  15           HD1      PHE  15   1.121  10.675  -9.190
 1354    HE1  PHE  15           HE2      PHE  15  -0.391  11.593  -4.598
 1355    HE2  PHE  15           HE1      PHE  15  -0.685  12.309  -8.786
 1356    HZ   PHE  15           HZ       PHE  15  -1.438  12.763  -6.481
 1357    H    GLU  16           HN       GLU  16   1.905   6.540  -8.642
 1358    HA   GLU  16           HA       GLU  16  -0.928   6.394  -8.650
 1359    HB2  GLU  16           HB2      GLU  16   1.130   4.621  -9.971
 1360    HB3  GLU  16           HB1      GLU  16  -0.594   4.586 -10.313
 1361    HG2  GLU  16           HG2      GLU  16  -0.473   6.921 -11.066
 1362    HG3  GLU  16           HG1      GLU  16   1.265   6.908 -10.772
 1363    H    ILE  17           HN       ILE  17   1.481   4.020  -7.491
 1364    HA   ILE  17           HA       ILE  17  -0.442   2.062  -6.836
 1365    HB   ILE  17           HB       ILE  17   2.397   2.501  -6.204
 1366   HG12  ILE  17          HG12      ILE  17   0.978  -0.112  -6.611
 1367   HG13  ILE  17          HG11      ILE  17   1.246   0.971  -7.969
 1368   HG21  ILE  17          HG21      ILE  17   0.690   0.775  -4.415
 1369   HG22  ILE  17          HG22      ILE  17   1.545   2.242  -3.933
 1370   HG23  ILE  17          HG23      ILE  17   2.454   0.812  -4.425
 1371   HD11  ILE  17          HD11      ILE  17   3.620   0.814  -7.687
 1372   HD12  ILE  17          HD12      ILE  17   2.941  -0.818  -7.726
 1373   HD13  ILE  17          HD13      ILE  17   3.424  -0.097  -6.189
 1374    H    LEU  18           HN       LEU  18   0.912   4.769  -4.948
 1375    HA   LEU  18           HA       LEU  18  -0.448   4.035  -2.533
 1376    HB2  LEU  18           HB2      LEU  18   1.118   6.414  -3.474
 1377    HB3  LEU  18           HB1      LEU  18   0.234   6.453  -1.961
 1378    HG   LEU  18           HG       LEU  18   2.073   4.162  -2.348
 1379   HD11  LEU  18          HD11      LEU  18   4.049   5.350  -1.941
 1380   HD12  LEU  18          HD12      LEU  18   3.179   6.831  -1.553
 1381   HD13  LEU  18          HD13      LEU  18   3.243   6.259  -3.220
 1382   HD21  LEU  18          HD21      LEU  18   0.846   4.325  -0.303
 1383   HD22  LEU  18          HD22      LEU  18   1.344   6.001  -0.077
 1384   HD23  LEU  18          HD23      LEU  18   2.533   4.704   0.044
 1385    H    MET  19           HN       MET  19  -0.995   6.289  -5.205
 1386    HA   MET  19           HA       MET  19  -3.153   7.667  -4.062
 1387    HB2  MET  19           HB2      MET  19  -1.773   8.010  -6.353
 1388    HB3  MET  19           HB1      MET  19  -3.178   7.197  -7.016
 1389    HG2  MET  19           HG2      MET  19  -3.108   9.797  -5.518
 1390    HG3  MET  19           HG1      MET  19  -3.470   9.545  -7.219
 1391    HE1  MET  19           HE1      MET  19  -6.765  10.811  -5.407
 1392    HE2  MET  19           HE2      MET  19  -5.636  11.161  -6.714
 1393    HE3  MET  19           HE3      MET  19  -5.087  11.209  -5.037
 1394    H    LYS  20           HN       LYS  20  -3.163   4.876  -6.244
 1395    HA   LYS  20           HA       LYS  20  -5.924   4.392  -6.287
 1396    HB2  LYS  20           HB2      LYS  20  -3.904   3.269  -7.541
 1397    HB3  LYS  20           HB1      LYS  20  -3.943   2.152  -6.186
 1398    HG2  LYS  20           HG2      LYS  20  -6.413   2.752  -7.768
 1399    HG3  LYS  20           HG1      LYS  20  -5.241   1.549  -8.311
 1400    HD2  LYS  20           HD2      LYS  20  -5.474   0.473  -6.040
 1401    HD3  LYS  20           HD1      LYS  20  -6.839   1.557  -5.759
 1402    HE2  LYS  20           HE2      LYS  20  -6.624  -0.360  -8.074
 1403    HE3  LYS  20           HE1      LYS  20  -7.496  -0.693  -6.580
 1404    HZ1  LYS  20           HZ1      LYS  20  -8.087   1.511  -8.481
 1405    HZ2  LYS  20           HZ2      LYS  20  -8.918   1.214  -7.039
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.987   0.090  -8.300
 1407    H    LEU  21           HN       LEU  21  -3.411   3.600  -3.979
 1408    HA   LEU  21           HA       LEU  21  -5.052   1.975  -2.332
 1409    HB2  LEU  21           HB2      LEU  21  -2.446   2.193  -2.506
 1410    HB3  LEU  21           HB1      LEU  21  -2.647   3.469  -1.328
 1411    HG   LEU  21           HG       LEU  21  -3.055   0.527  -1.015
 1412   HD11  LEU  21          HD11      LEU  21  -1.596   0.796   0.854
 1413   HD12  LEU  21          HD12      LEU  21  -1.674   2.551   0.727
 1414   HD13  LEU  21          HD13      LEU  21  -0.877   1.612  -0.534
 1415   HD21  LEU  21          HD21      LEU  21  -4.170   2.641   0.822
 1416   HD22  LEU  21          HD22      LEU  21  -4.078   0.914   1.176
 1417   HD23  LEU  21          HD23      LEU  21  -5.104   1.492  -0.137
 1418    H    LYS  22           HN       LYS  22  -4.187   5.413  -2.179
 1419    HA   LYS  22           HA       LYS  22  -5.367   6.055   0.250
 1420    HB2  LYS  22           HB2      LYS  22  -4.085   7.720  -0.953
 1421    HB3  LYS  22           HB1      LYS  22  -5.187   7.647  -2.321
 1422    HG2  LYS  22           HG2      LYS  22  -6.731   8.298  -0.050
 1423    HG3  LYS  22           HG1      LYS  22  -5.293   9.317  -0.019
 1424    HD2  LYS  22           HD2      LYS  22  -6.938   8.985  -2.507
 1425    HD3  LYS  22           HD1      LYS  22  -7.339  10.190  -1.282
 1426    HE2  LYS  22           HE2      LYS  22  -4.845  10.880  -1.526
 1427    HE3  LYS  22           HE1      LYS  22  -4.943  10.020  -3.062
 1428    HZ1  LYS  22           HZ1      LYS  22  -6.805  11.447  -3.684
 1429    HZ2  LYS  22           HZ2      LYS  22  -5.416  12.356  -3.360
 1430    HZ3  LYS  22           HZ3      LYS  22  -6.666  12.288  -2.222
 1431    H    GLU  23           HN       GLU  23  -6.646   5.610  -2.937
 1432    HA   GLU  23           HA       GLU  23  -9.347   6.319  -2.479
 1433    HB2  GLU  23           HB2      GLU  23  -8.082   5.960  -4.695
 1434    HB3  GLU  23           HB1      GLU  23  -8.338   4.245  -4.431
 1435    HG2  GLU  23           HG2      GLU  23 -10.817   4.830  -4.289
 1436    HG3  GLU  23           HG1      GLU  23 -10.348   6.381  -4.981
 1437    H    SER  24           HN       SER  24  -7.657   3.177  -2.342
 1438    HA   SER  24           HA       SER  24  -9.922   1.714  -1.673
 1439    HB2  SER  24           HB2      SER  24  -7.214   0.890  -0.659
 1440    HB3  SER  24           HB1      SER  24  -8.492  -0.112  -1.343
 1441    HG   SER  24           HG       SER  24  -6.456   0.618  -2.630
 1442    H    LEU  25           HN       LEU  25  -7.421   3.033   0.497
 1443    HA   LEU  25           HA       LEU  25  -8.497   2.054   2.920
 1444    HB2  LEU  25           HB2      LEU  25  -6.611   4.262   2.201
 1445    HB3  LEU  25           HB1      LEU  25  -7.174   4.079   3.850
 1446    HG   LEU  25           HG       LEU  25  -5.810   1.864   2.328
 1447   HD11  LEU  25          HD11      LEU  25  -4.192   3.581   2.460
 1448   HD12  LEU  25          HD12      LEU  25  -3.838   2.464   3.777
 1449   HD13  LEU  25          HD13      LEU  25  -4.655   3.991   4.110
 1450   HD21  LEU  25          HD21      LEU  25  -5.533   0.839   4.470
 1451   HD22  LEU  25          HD22      LEU  25  -7.238   1.254   4.273
 1452   HD23  LEU  25          HD23      LEU  25  -6.199   2.256   5.289
 1453    H    GLU  26           HN       GLU  26  -8.965   5.166   1.280
 1454    HA   GLU  26           HA       GLU  26 -10.564   6.277   3.343
 1455    HB2  GLU  26           HB2      GLU  26 -10.138   6.984   0.458
 1456    HB3  GLU  26           HB1      GLU  26 -11.308   7.848   1.447
 1457    HG2  GLU  26           HG2      GLU  26  -9.365   8.205   3.080
 1458    HG3  GLU  26           HG1      GLU  26  -8.332   7.727   1.733
 1459    H    LEU  27           HN       LEU  27 -11.343   4.584   0.340
 1460    HA   LEU  27           HA       LEU  27 -14.154   4.868   0.383
 1461    HB2  LEU  27           HB2      LEU  27 -12.267   2.924  -0.870
 1462    HB3  LEU  27           HB1      LEU  27 -13.994   2.635  -0.926
 1463    HG   LEU  27           HG       LEU  27 -12.601   5.075  -2.035
 1464   HD11  LEU  27          HD11      LEU  27 -12.844   4.156  -4.165
 1465   HD12  LEU  27          HD12      LEU  27 -13.972   2.923  -3.603
 1466   HD13  LEU  27          HD13      LEU  27 -12.265   2.814  -3.179
 1467   HD21  LEU  27          HD21      LEU  27 -14.762   5.613  -3.030
 1468   HD22  LEU  27          HD22      LEU  27 -14.894   5.537  -1.273
 1469   HD23  LEU  27          HD23      LEU  27 -15.482   4.198  -2.260
 1470    H    MET  28           HN       MET  28 -12.099   2.452   2.030
 1471    HA   MET  28           HA       MET  28 -14.130   0.690   2.548
 1472    HB2  MET  28           HB2      MET  28 -11.980   1.354   4.577
 1473    HB3  MET  28           HB1      MET  28 -12.884  -0.148   4.473
 1474    HG2  MET  28           HG2      MET  28 -11.756  -0.828   2.555
 1475    HG3  MET  28           HG1      MET  28 -11.142   0.791   2.237
 1476    HE1  MET  28           HE1      MET  28  -9.280  -2.468   4.714
 1477    HE2  MET  28           HE2      MET  28 -10.449  -2.552   3.391
 1478    HE3  MET  28           HE3      MET  28 -10.981  -2.112   5.016
 1479    H    GLU  29           HN       GLU  29 -14.063   3.900   3.706
 1480    HA   GLU  29           HA       GLU  29 -15.634   3.286   6.068
 1481    HB2  GLU  29           HB2      GLU  29 -15.369   5.527   6.668
 1482    HB3  GLU  29           HB1      GLU  29 -13.849   5.126   5.881
 1483    HG2  GLU  29           HG2      GLU  29 -14.766   6.126   3.783
 1484    HG3  GLU  29           HG1      GLU  29 -16.152   6.673   4.722
 1485    H    LEU  30           HN       LEU  30 -16.141   4.162   2.757
 1486    HA   LEU  30           HA       LEU  30 -18.806   5.187   3.304
 1487    HB2  LEU  30           HB2      LEU  30 -18.665   6.273   1.348
 1488    HB3  LEU  30           HB1      LEU  30 -16.957   5.922   1.470
 1489    HG   LEU  30           HG       LEU  30 -18.959   4.324  -0.112
 1490   HD11  LEU  30          HD11      LEU  30 -16.813   6.246  -0.993
 1491   HD12  LEU  30          HD12      LEU  30 -18.553   6.522  -1.073
 1492   HD13  LEU  30          HD13      LEU  30 -17.814   5.264  -2.063
 1493   HD21  LEU  30          HD21      LEU  30 -15.973   4.071   0.106
 1494   HD22  LEU  30          HD22      LEU  30 -16.970   3.232  -1.077
 1495   HD23  LEU  30          HD23      LEU  30 -17.171   2.893   0.641
 1496    H    VAL  31           HN       VAL  31 -17.491   2.251   3.097
 1497    HA   VAL  31           HA       VAL  31 -19.798   1.062   1.728
 1498    HB   VAL  31           HB       VAL  31 -17.763   0.122   0.911
 1499   HG11  VAL  31          HG11      VAL  31 -16.998  -0.352   3.786
 1500   HG12  VAL  31          HG12      VAL  31 -16.255   0.797   2.673
 1501   HG13  VAL  31          HG13      VAL  31 -16.101  -0.936   2.385
 1502   HG21  VAL  31          HG21      VAL  31 -19.185  -1.655   0.963
 1503   HG22  VAL  31          HG22      VAL  31 -19.418  -1.563   2.707
 1504   HG23  VAL  31          HG23      VAL  31 -17.942  -2.267   2.053
 1505    HA   PRO  32           HA       PRO  32 -21.844   0.608   5.651
 1506    HB2  PRO  32           HB2      PRO  32 -22.657  -1.963   4.326
 1507    HB3  PRO  32           HB1      PRO  32 -23.644  -0.826   5.254
 1508    HG2  PRO  32           HG2      PRO  32 -23.685  -0.829   2.579
 1509    HG3  PRO  32           HG1      PRO  32 -23.801   0.678   3.505
 1510    HD2  PRO  32           HD2      PRO  32 -21.561  -0.364   1.881
 1511    HD3  PRO  32           HD1      PRO  32 -21.938   1.309   2.345
 1512    H    GLN  33           HN       GLN  33 -20.928  -0.093   7.481
 1513    HA   GLN  33           HA       GLN  33 -18.684  -1.665   7.662
 1514    HB2  GLN  33           HB2      GLN  33 -19.527  -0.156   9.438
 1515    HB3  GLN  33           HB1      GLN  33 -20.770  -1.336   9.821
 1516    HG2  GLN  33           HG2      GLN  33 -18.961  -1.521  11.390
 1517    HG3  GLN  33           HG1      GLN  33 -19.021  -2.968  10.383
 1518   HE21  GLN  33          HE21      GLN  33 -17.263  -0.073  11.150
 1519   HE22  GLN  33          HE22      GLN  33 -15.808  -0.491  10.318
 1520    HA   PRO  34           HA       PRO  34 -21.581  -5.463   8.897
 1521    HB2  PRO  34           HB2      PRO  34 -23.812  -4.853   7.033
 1522    HB3  PRO  34           HB1      PRO  34 -23.857  -5.568   8.648
 1523    HG2  PRO  34           HG2      PRO  34 -24.629  -3.053   8.261
 1524    HG3  PRO  34           HG1      PRO  34 -23.709  -3.509   9.707
 1525    HD2  PRO  34           HD2      PRO  34 -22.780  -2.112   7.231
 1526    HD3  PRO  34           HD1      PRO  34 -22.336  -1.821   8.924
 1527    H    LEU  35           HN       LEU  35 -21.413  -3.971   5.711
 1528    HA   LEU  35           HA       LEU  35 -21.416  -6.469   4.292
 1529    HB2  LEU  35           HB2      LEU  35 -22.290  -4.333   3.354
 1530    HB3  LEU  35           HB1      LEU  35 -20.658  -3.698   3.355
 1531    HG   LEU  35           HG       LEU  35 -19.981  -5.329   1.699
 1532   HD11  LEU  35          HD11      LEU  35 -21.559  -6.845   0.658
 1533   HD12  LEU  35          HD12      LEU  35 -22.823  -6.312   1.767
 1534   HD13  LEU  35          HD13      LEU  35 -21.418  -7.182   2.383
 1535   HD21  LEU  35          HD21      LEU  35 -22.523  -3.898   0.964
 1536   HD22  LEU  35          HD22      LEU  35 -21.352  -4.550  -0.182
 1537   HD23  LEU  35          HD23      LEU  35 -20.890  -3.236   0.900
 1538    H    VAL  36           HN       VAL  36 -19.057  -4.266   5.615
 1539    HA   VAL  36           HA       VAL  36 -16.779  -5.436   4.283
 1540    HB   VAL  36           HB       VAL  36 -16.959  -3.649   6.727
 1541   HG11  VAL  36          HG11      VAL  36 -14.514  -3.358   6.460
 1542   HG12  VAL  36          HG12      VAL  36 -14.522  -4.646   5.256
 1543   HG13  VAL  36          HG13      VAL  36 -14.968  -4.997   6.925
 1544   HG21  VAL  36          HG21      VAL  36 -16.056  -3.072   3.906
 1545   HG22  VAL  36          HG22      VAL  36 -16.089  -1.922   5.243
 1546   HG23  VAL  36          HG23      VAL  36 -17.597  -2.586   4.614
 1547    H    ASP  37           HN       ASP  37 -18.409  -5.879   7.384
 1548    HA   ASP  37           HA       ASP  37 -16.561  -7.644   8.532
 1549    HB2  ASP  37           HB2      ASP  37 -19.579  -7.593   8.821
 1550    HB3  ASP  37           HB1      ASP  37 -18.478  -8.479   9.872
 1551    H    SER  38           HN       SER  38 -19.335  -8.214   6.354
 1552    HA   SER  38           HA       SER  38 -19.182 -10.989   6.281
 1553    HB2  SER  38           HB2      SER  38 -21.051  -9.707   5.322
 1554    HB3  SER  38           HB1      SER  38 -19.989  -9.111   4.046
 1555    HG   SER  38           HG       SER  38 -20.413 -10.872   3.006
 1556    H    TYR  39           HN       TYR  39 -17.516  -8.582   4.259
 1557    HA   TYR  39           HA       TYR  39 -16.204 -10.397   2.575
 1558    HB2  TYR  39           HB2      TYR  39 -16.093  -8.218   1.798
 1559    HB3  TYR  39           HB1      TYR  39 -15.710  -7.561   3.387
 1560    HD1  TYR  39           HD1      TYR  39 -14.296  -9.501   0.556
 1561    HD2  TYR  39           HD2      TYR  39 -13.483  -7.198   4.036
 1562    HE1  TYR  39           HE1      TYR  39 -11.910  -9.487  -0.019
 1563    HE2  TYR  39           HE2      TYR  39 -11.098  -7.179   3.472
 1564    HH   TYR  39           HH       TYR  39  -9.497  -8.425   2.168
 1565    H    ARG  40           HN       ARG  40 -15.202  -8.910   5.623
 1566    HA   ARG  40           HA       ARG  40 -12.622  -9.929   5.782
 1567    HB2  ARG  40           HB2      ARG  40 -14.607  -9.244   7.949
 1568    HB3  ARG  40           HB1      ARG  40 -12.931  -9.669   8.276
 1569    HG2  ARG  40           HG2      ARG  40 -12.187  -7.762   6.944
 1570    HG3  ARG  40           HG1      ARG  40 -13.868  -7.337   6.619
 1571    HD2  ARG  40           HD2      ARG  40 -14.247  -7.034   9.021
 1572    HD3  ARG  40           HD1      ARG  40 -12.562  -7.447   9.335
 1573    HE   ARG  40           HE       ARG  40 -12.657  -5.307   7.520
 1574   HH11  ARG  40          HH11      ARG  40 -13.326  -6.014  10.867
 1575   HH12  ARG  40          HH12      ARG  40 -13.004  -4.400  11.405
 1576   HH21  ARG  40          HH21      ARG  40 -12.232  -3.178   8.222
 1577   HH22  ARG  40          HH22      ARG  40 -12.384  -2.788   9.902
 1578    H    GLN  41           HN       GLN  41 -15.699 -11.426   6.567
 1579    HA   GLN  41           HA       GLN  41 -14.676 -13.736   7.873
 1580    HB2  GLN  41           HB2      GLN  41 -17.241 -13.316   6.329
 1581    HB3  GLN  41           HB1      GLN  41 -16.874 -14.757   7.266
 1582    HG2  GLN  41           HG2      GLN  41 -16.570 -13.182   9.247
 1583    HG3  GLN  41           HG1      GLN  41 -17.359 -11.968   8.242
 1584   HE21  GLN  41          HE21      GLN  41 -19.537 -12.207   7.725
 1585   HE22  GLN  41          HE22      GLN  41 -20.568 -13.307   8.567
 1586    H    GLN  42           HN       GLN  42 -15.627 -13.177   4.483
 1587    HA   GLN  42           HA       GLN  42 -14.912 -15.737   3.562
 1588    HB2  GLN  42           HB2      GLN  42 -16.311 -14.168   2.272
 1589    HB3  GLN  42           HB1      GLN  42 -14.915 -13.126   2.032
 1590    HG2  GLN  42           HG2      GLN  42 -13.800 -14.926   0.797
 1591    HG3  GLN  42           HG1      GLN  42 -15.222 -15.944   1.017
 1592   HE21  GLN  42          HE21      GLN  42 -13.957 -14.983  -1.434
 1593   HE22  GLN  42          HE22      GLN  42 -15.184 -14.125  -2.298
 1594    H    GLN  43           HN       GLN  43 -13.046 -12.950   4.341
 1595    HA   GLN  43           HA       GLN  43 -10.670 -13.772   2.923
 1596    HB2  GLN  43           HB2      GLN  43 -11.111 -11.406   3.226
 1597    HB3  GLN  43           HB1      GLN  43 -11.189 -11.606   4.969
 1598    HG2  GLN  43           HG2      GLN  43  -8.766 -12.389   4.809
 1599    HG3  GLN  43           HG1      GLN  43  -8.794 -11.718   3.178
 1600   HE21  GLN  43          HE21      GLN  43  -8.947  -9.504   2.898
 1601   HE22  GLN  43          HE22      GLN  43  -8.676  -8.385   4.186
 1602    H    GLN  44           HN       GLN  44 -11.887 -13.847   6.225
 1603    HA   GLN  44           HA       GLN  44  -9.509 -14.771   7.447
 1604    HB2  GLN  44           HB2      GLN  44 -11.526 -13.738   8.600
 1605    HB3  GLN  44           HB1      GLN  44 -12.316 -15.299   8.421
 1606    HG2  GLN  44           HG2      GLN  44 -11.382 -15.100  10.628
 1607    HG3  GLN  44           HG1      GLN  44 -10.516 -16.342   9.724
 1608   HE21  GLN  44          HE21      GLN  44  -8.399 -15.931   9.031
 1609   HE22  GLN  44          HE22      GLN  44  -7.442 -14.671   9.726
 1610    H    LEU  45           HN       LEU  45 -11.932 -16.265   5.553
 1611    HA   LEU  45           HA       LEU  45 -11.886 -18.905   6.405
 1612    HB2  LEU  45           HB2      LEU  45 -13.489 -18.533   4.813
 1613    HB3  LEU  45           HB1      LEU  45 -12.452 -17.497   3.854
 1614    HG   LEU  45           HG       LEU  45 -11.195 -19.711   3.291
 1615   HD11  LEU  45          HD11      LEU  45 -13.902 -20.764   4.092
 1616   HD12  LEU  45          HD12      LEU  45 -12.375 -21.106   4.905
 1617   HD13  LEU  45          HD13      LEU  45 -12.642 -21.671   3.256
 1618   HD21  LEU  45          HD21      LEU  45 -12.332 -18.388   1.639
 1619   HD22  LEU  45          HD22      LEU  45 -13.900 -19.002   2.171
 1620   HD23  LEU  45          HD23      LEU  45 -12.742 -20.087   1.400
 1621    H    LEU  46           HN       LEU  46  -9.822 -17.327   3.970
 1622    HA   LEU  46           HA       LEU  46  -8.007 -19.630   4.110
 1623    HB2  LEU  46           HB2      LEU  46  -8.934 -17.944   1.957
 1624    HB3  LEU  46           HB1      LEU  46  -7.183 -17.964   2.026
 1625    HG   LEU  46           HG       LEU  46  -8.069 -19.657   0.485
 1626   HD11  LEU  46          HD11      LEU  46  -6.784 -21.545   1.309
 1627   HD12  LEU  46          HD12      LEU  46  -6.778 -20.854   2.932
 1628   HD13  LEU  46          HD13      LEU  46  -5.932 -20.033   1.620
 1629   HD21  LEU  46          HD21      LEU  46  -9.295 -20.897   2.945
 1630   HD22  LEU  46          HD22      LEU  46  -9.287 -21.585   1.321
 1631   HD23  LEU  46          HD23      LEU  46 -10.183 -20.101   1.645
 1632    H    GLN  47           HN       GLN  47  -7.624 -16.145   3.439
 1633    HA   GLN  47           HA       GLN  47  -6.058 -14.637   4.105
 1634    HB2  GLN  47           HB2      GLN  47  -7.146 -15.605   6.360
 1635    HB3  GLN  47           HB1      GLN  47  -5.482 -16.111   6.616
 1636    HG2  GLN  47           HG2      GLN  47  -6.308 -13.292   5.992
 1637    HG3  GLN  47           HG1      GLN  47  -6.065 -13.917   7.622
 1638   HE21  GLN  47          HE21      GLN  47  -4.531 -13.025   4.630
 1639   HE22  GLN  47          HE22      GLN  47  -2.915 -12.976   5.238
 1640    H    ARG  48           HN       ARG  48  -5.140 -16.743   2.487
 1641    HA   ARG  48           HA       ARG  48  -2.315 -16.677   3.165
 1642    HB2  ARG  48           HB2      ARG  48  -3.844 -19.251   2.774
 1643    HB3  ARG  48           HB1      ARG  48  -2.093 -19.141   2.671
 1644    HG2  ARG  48           HG2      ARG  48  -1.986 -18.398   4.977
 1645    HG3  ARG  48           HG1      ARG  48  -3.746 -18.451   5.086
 1646    HD2  ARG  48           HD2      ARG  48  -2.749 -20.439   6.084
 1647    HD3  ARG  48           HD1      ARG  48  -3.703 -20.856   4.661
 1648    HE   ARG  48           HE       ARG  48  -1.059 -20.493   3.847
 1649   HH11  ARG  48          HH11      ARG  48  -2.922 -22.661   5.841
 1650   HH12  ARG  48          HH12      ARG  48  -1.880 -24.016   5.565
 1651   HH21  ARG  48          HH21      ARG  48   0.318 -22.271   3.479
 1652   HH22  ARG  48          HH22      ARG  48  -0.038 -23.794   4.223
  Start of MODEL    5
    1    H    ASP   1           HT1      ASP   1   4.363 -16.537  16.176
    2    HA   ASP   1           HA       ASP   1   5.712 -15.989  14.260
    3    HB2  ASP   1           HB2      ASP   1   3.895 -16.090  12.561
    4    HB3  ASP   1           HB1      ASP   1   3.677 -17.245  13.873
    5    H    GLU   2           HN       GLU   2   6.386 -14.555  12.716
    6    HA   GLU   2           HA       GLU   2   5.124 -12.052  12.211
    7    HB2  GLU   2           HB2      GLU   2   6.878 -10.595  13.143
    8    HB3  GLU   2           HB1      GLU   2   6.037 -11.491  14.401
    9    HG2  GLU   2           HG2      GLU   2   7.897 -13.087  14.490
   10    HG3  GLU   2           HG1      GLU   2   8.742 -12.152  13.257
   11    H    ASP   3           HN       ASP   3   7.021 -14.536  11.370
   12    HA   ASP   3           HA       ASP   3   8.992 -13.240   9.761
   13    HB2  ASP   3           HB2      ASP   3   7.940 -16.071   9.572
   14    HB3  ASP   3           HB1      ASP   3   9.423 -15.463   8.843
   15    H    THR   4           HN       THR   4   8.233 -15.221   7.461
   16    HA   THR   4           HA       THR   4   6.883 -13.224   5.943
   17    HB   THR   4           HB       THR   4   6.926 -15.879   4.744
   18    HG1  THR   4           HG1      THR   4   9.169 -15.998   4.598
   19   HG21  THR   4          HG21      THR   4   7.935 -13.150   3.971
   20   HG22  THR   4          HG22      THR   4   6.472 -13.956   3.394
   21   HG23  THR   4          HG23      THR   4   8.060 -14.572   2.933
   22    H    TYR   5           HN       TYR   5   4.935 -13.259   5.045
   23    HA   TYR   5           HA       TYR   5   2.909 -14.994   6.292
   24    HB2  TYR   5           HB2      TYR   5   2.977 -12.040   5.886
   25    HB3  TYR   5           HB1      TYR   5   1.465 -12.920   6.090
   26    HD1  TYR   5           HD2      TYR   5   1.179 -14.329   8.184
   27    HD2  TYR   5           HD1      TYR   5   4.261 -11.432   7.749
   28    HE1  TYR   5           HE2      TYR   5   1.454 -14.266  10.624
   29    HE2  TYR   5           HE1      TYR   5   4.545 -11.356  10.188
   30    HH   TYR   5           HH       TYR   5   3.508 -11.926  12.185
   31    H    TYR   6           HN       TYR   6   0.905 -15.131   4.938
   32    HA   TYR   6           HA       TYR   6   1.482 -14.530   2.117
   33    HB2  TYR   6           HB2      TYR   6  -0.462 -16.652   3.048
   34    HB3  TYR   6           HB1      TYR   6   0.228 -16.447   1.444
   35    HD1  TYR   6           HD2      TYR   6   3.103 -16.046   2.221
   36    HD2  TYR   6           HD1      TYR   6   0.210 -18.857   3.571
   37    HE1  TYR   6           HE2      TYR   6   4.906 -17.611   2.778
   38    HE2  TYR   6           HE1      TYR   6   2.008 -20.436   4.142
   39    HH   TYR   6           HH       TYR   6   4.344 -20.881   3.499
   40    H    LEU   7           HN       LEU   7   0.237 -13.238   1.060
   41    HA   LEU   7           HA       LEU   7  -2.208 -12.203   2.366
   42    HB2  LEU   7           HB2      LEU   7   0.129 -10.955   1.486
   43    HB3  LEU   7           HB1      LEU   7  -1.033 -10.621   0.236
   44    HG   LEU   7           HG       LEU   7  -2.053  -9.042   1.442
   45   HD11  LEU   7          HD11      LEU   7  -3.286  -9.866   3.104
   46   HD12  LEU   7          HD12      LEU   7  -1.945  -9.342   4.130
   47   HD13  LEU   7          HD13      LEU   7  -2.047 -11.021   3.587
   48   HD21  LEU   7          HD21      LEU   7  -0.577  -7.937   3.048
   49   HD22  LEU   7          HD22      LEU   7   0.271  -8.446   1.587
   50   HD23  LEU   7          HD23      LEU   7   0.442  -9.376   3.076
   51    H    GLN   8           HN       GLN   8  -3.985 -13.069   1.351
   52    HA   GLN   8           HA       GLN   8  -3.741 -13.830  -1.416
   53    HB2  GLN   8           HB2      GLN   8  -5.034 -15.001   0.613
   54    HB3  GLN   8           HB1      GLN   8  -6.336 -14.007  -0.003
   55    HG2  GLN   8           HG2      GLN   8  -5.614 -15.079  -2.285
   56    HG3  GLN   8           HG1      GLN   8  -5.001 -16.339  -1.213
   57   HE21  GLN   8          HE21      GLN   8  -6.452 -17.891  -1.659
   58   HE22  GLN   8          HE22      GLN   8  -8.144 -17.775  -1.321
   59    H    VAL   9           HN       VAL   9  -4.092 -12.442  -2.964
   60    HA   VAL   9           HA       VAL   9  -5.972 -10.270  -2.447
   61    HB   VAL   9           HB       VAL   9  -3.330 -10.135  -3.899
   62   HG11  VAL   9          HG11      VAL   9  -5.489  -8.049  -3.737
   63   HG12  VAL   9          HG12      VAL   9  -4.891  -8.862  -5.184
   64   HG13  VAL   9          HG13      VAL   9  -3.843  -7.755  -4.298
   65   HG21  VAL   9          HG21      VAL   9  -4.307  -8.554  -1.534
   66   HG22  VAL   9          HG22      VAL   9  -2.680  -8.572  -2.214
   67   HG23  VAL   9          HG23      VAL   9  -3.318 -10.009  -1.416
   68    H    ARG  10           HN       ARG  10  -7.566 -10.021  -3.874
   69    HA   ARG  10           HA       ARG  10  -7.480 -11.748  -6.246
   70    HB2  ARG  10           HB2      ARG  10  -9.407 -11.731  -4.463
   71    HB3  ARG  10           HB1      ARG  10  -9.947 -10.302  -5.333
   72    HG2  ARG  10           HG2      ARG  10  -9.386 -12.845  -6.801
   73    HG3  ARG  10           HG1      ARG  10 -10.918 -12.609  -5.959
   74    HD2  ARG  10           HD2      ARG  10 -11.300 -10.559  -7.252
   75    HD3  ARG  10           HD1      ARG  10  -9.779 -10.819  -8.103
   76    HE   ARG  10           HE       ARG  10 -11.296 -13.116  -8.436
   77   HH11  ARG  10          HH11      ARG  10 -11.499  -9.739  -9.271
   78   HH12  ARG  10          HH12      ARG  10 -12.421 -10.018 -10.711
   79   HH21  ARG  10          HH21      ARG  10 -12.508 -13.492 -10.329
   80   HH22  ARG  10          HH22      ARG  10 -12.992 -12.152 -11.313
   81    H    GLY  11           HN       GLY  11  -7.673 -11.009  -8.282
   82    HA2  GLY  11           HA2      GLY  11  -8.086  -9.414  -9.962
   83    HA3  GLY  11           HA1      GLY  11  -8.241  -8.179  -8.720
   84    H    ARG  12           HN       ARG  12  -6.441  -8.975 -11.249
   85    HA   ARG  12           HA       ARG  12  -3.793  -8.966 -10.486
   86    HB2  ARG  12           HB2      ARG  12  -4.901  -9.213 -12.821
   87    HB3  ARG  12           HB1      ARG  12  -4.688  -7.470 -12.923
   88    HG2  ARG  12           HG2      ARG  12  -2.818  -8.439 -13.979
   89    HG3  ARG  12           HG1      ARG  12  -2.254  -7.853 -12.414
   90    HD2  ARG  12           HD2      ARG  12  -2.516 -10.139 -11.511
   91    HD3  ARG  12           HD1      ARG  12  -2.967 -10.693 -13.123
   92    HE   ARG  12           HE       ARG  12  -0.354  -9.428 -12.658
   93   HH11  ARG  12          HH11      ARG  12  -2.274 -12.150 -13.682
   94   HH12  ARG  12          HH12      ARG  12  -0.926 -13.020 -14.333
   95   HH21  ARG  12          HH21      ARG  12   1.426 -10.566 -13.513
   96   HH22  ARG  12          HH22      ARG  12   1.178 -12.119 -14.236
   97    H    GLU  13           HN       GLU  13  -5.790  -6.152 -11.226
   98    HA   GLU  13           HA       GLU  13  -3.892  -4.164 -10.984
   99    HB2  GLU  13           HB2      GLU  13  -6.212  -3.786 -11.750
  100    HB3  GLU  13           HB1      GLU  13  -6.776  -3.969 -10.096
  101    HG2  GLU  13           HG2      GLU  13  -5.669  -1.982  -9.412
  102    HG3  GLU  13           HG1      GLU  13  -4.810  -1.862 -10.947
  103    H    ASN  14           HN       ASN  14  -5.849  -5.577  -8.369
  104    HA   ASN  14           HA       ASN  14  -4.758  -3.932  -6.301
  105    HB2  ASN  14           HB2      ASN  14  -6.134  -6.610  -6.075
  106    HB3  ASN  14           HB1      ASN  14  -5.903  -5.430  -4.790
  107   HD21  ASN  14          HD21      ASN  14  -8.361  -6.573  -5.798
  108   HD22  ASN  14          HD22      ASN  14  -9.330  -5.250  -6.342
  109    H    PHE  15           HN       PHE  15  -4.023  -7.207  -7.506
  110    HA   PHE  15           HA       PHE  15  -2.145  -7.818  -5.516
  111    HB2  PHE  15           HB2      PHE  15  -3.189  -9.518  -6.964
  112    HB3  PHE  15           HB1      PHE  15  -2.359  -8.847  -8.362
  113    HD1  PHE  15           HD2      PHE  15  -1.260  -9.812  -4.921
  114    HD2  PHE  15           HD1      PHE  15  -0.763 -10.294  -9.127
  115    HE1  PHE  15           HE2      PHE  15   0.612 -11.341  -4.519
  116    HE2  PHE  15           HE1      PHE  15   1.137 -11.821  -8.718
  117    HZ   PHE  15           HZ       PHE  15   1.816 -12.341  -6.409
  118    H    GLU  16           HN       GLU  16  -1.638  -6.549  -8.818
  119    HA   GLU  16           HA       GLU  16   1.118  -6.328  -8.684
  120    HB2  GLU  16           HB2      GLU  16  -0.866  -4.599 -10.166
  121    HB3  GLU  16           HB1      GLU  16   0.872  -4.524 -10.416
  122    HG2  GLU  16           HG2      GLU  16  -0.861  -6.945 -10.862
  123    HG3  GLU  16           HG1      GLU  16  -0.243  -5.872 -12.117
  124    H    ILE  17           HN       ILE  17  -1.328  -4.144  -7.449
  125    HA   ILE  17           HA       ILE  17   0.473  -1.970  -6.893
  126    HB   ILE  17           HB       ILE  17  -2.374  -2.524  -6.464
  127   HG12  ILE  17          HG12      ILE  17  -0.950   0.089  -6.837
  128   HG13  ILE  17          HG11      ILE  17  -1.252  -1.010  -8.174
  129   HG21  ILE  17          HG21      ILE  17  -0.926  -0.728  -4.526
  130   HG22  ILE  17          HG22      ILE  17  -1.830  -2.191  -4.129
  131   HG23  ILE  17          HG23      ILE  17  -2.679  -0.771  -4.759
  132   HD11  ILE  17          HD11      ILE  17  -2.961   0.593  -8.204
  133   HD12  ILE  17          HD12      ILE  17  -3.211   0.461  -6.461
  134   HD13  ILE  17          HD13      ILE  17  -3.685  -0.868  -7.527
  135    H    LEU  18           HN       LEU  18  -0.835  -4.704  -5.078
  136    HA   LEU  18           HA       LEU  18   0.387  -3.976  -2.557
  137    HB2  LEU  18           HB2      LEU  18  -1.202  -6.265  -3.633
  138    HB3  LEU  18           HB1      LEU  18  -0.308  -6.438  -2.136
  139    HG   LEU  18           HG       LEU  18  -2.134  -4.103  -2.394
  140   HD11  LEU  18          HD11      LEU  18  -3.327  -6.196  -3.228
  141   HD12  LEU  18          HD12      LEU  18  -4.072  -5.323  -1.890
  142   HD13  LEU  18          HD13      LEU  18  -3.163  -6.799  -1.579
  143   HD21  LEU  18          HD21      LEU  18  -0.810  -4.269  -0.411
  144   HD22  LEU  18          HD22      LEU  18  -1.277  -5.953  -0.177
  145   HD23  LEU  18          HD23      LEU  18  -2.473  -4.671   0.012
  146    H    MET  19           HN       MET  19   1.217  -5.893  -5.382
  147    HA   MET  19           HA       MET  19   3.274  -7.354  -4.056
  148    HB2  MET  19           HB2      MET  19   1.938  -7.824  -6.367
  149    HB3  MET  19           HB1      MET  19   3.352  -7.024  -7.030
  150    HG2  MET  19           HG2      MET  19   3.256  -9.574  -5.451
  151    HG3  MET  19           HG1      MET  19   3.708  -9.360  -7.135
  152    HE1  MET  19           HE1      MET  19   6.892 -10.521  -5.060
  153    HE2  MET  19           HE2      MET  19   5.984 -10.877  -6.527
  154    HE3  MET  19           HE3      MET  19   5.193 -10.977  -4.953
  155    H    LYS  20           HN       LYS  20   3.251  -4.445  -6.149
  156    HA   LYS  20           HA       LYS  20   6.064  -4.136  -6.131
  157    HB2  LYS  20           HB2      LYS  20   4.967  -2.700  -7.639
  158    HB3  LYS  20           HB1      LYS  20   3.768  -2.218  -6.447
  159    HG2  LYS  20           HG2      LYS  20   5.046  -0.325  -6.450
  160    HG3  LYS  20           HG1      LYS  20   5.927  -1.231  -5.235
  161    HD2  LYS  20           HD2      LYS  20   7.668  -1.648  -6.619
  162    HD3  LYS  20           HD1      LYS  20   6.668  -1.581  -8.070
  163    HE2  LYS  20           HE2      LYS  20   6.554   0.816  -7.939
  164    HE3  LYS  20           HE1      LYS  20   7.407   0.808  -6.398
  165    HZ1  LYS  20           HZ1      LYS  20   8.532  -0.072  -9.001
  166    HZ2  LYS  20           HZ2      LYS  20   9.353  -0.081  -7.523
  167    HZ3  LYS  20           HZ3      LYS  20   8.881   1.387  -8.217
  168    H    LEU  21           HN       LEU  21   3.505  -3.618  -3.919
  169    HA   LEU  21           HA       LEU  21   4.986  -1.928  -2.146
  170    HB2  LEU  21           HB2      LEU  21   2.405  -2.185  -2.481
  171    HB3  LEU  21           HB1      LEU  21   2.568  -3.470  -1.306
  172    HG   LEU  21           HG       LEU  21   2.891  -0.531  -0.959
  173   HD11  LEU  21          HD11      LEU  21   1.352  -0.767   0.738
  174   HD12  LEU  21          HD12      LEU  21   1.728  -2.472   0.979
  175   HD13  LEU  21          HD13      LEU  21   0.820  -1.963  -0.442
  176   HD21  LEU  21          HD21      LEU  21   4.172  -2.609   0.803
  177   HD22  LEU  21          HD22      LEU  21   3.933  -0.920   1.251
  178   HD23  LEU  21          HD23      LEU  21   4.988  -1.333  -0.100
  179    H    LYS  22           HN       LYS  22   4.211  -5.394  -2.257
  180    HA   LYS  22           HA       LYS  22   5.229  -6.086   0.262
  181    HB2  LYS  22           HB2      LYS  22   3.902  -7.672  -0.996
  182    HB3  LYS  22           HB1      LYS  22   5.054  -7.652  -2.324
  183    HG2  LYS  22           HG2      LYS  22   6.387  -8.394   0.100
  184    HG3  LYS  22           HG1      LYS  22   4.966  -9.409  -0.142
  185    HD2  LYS  22           HD2      LYS  22   6.644  -8.948  -2.525
  186    HD3  LYS  22           HD1      LYS  22   7.374  -9.914  -1.243
  187    HE2  LYS  22           HE2      LYS  22   5.195 -11.261  -1.270
  188    HE3  LYS  22           HE1      LYS  22   4.869 -10.459  -2.805
  189    HZ1  LYS  22           HZ1      LYS  22   7.003 -11.333  -3.620
  190    HZ2  LYS  22           HZ2      LYS  22   5.916 -12.559  -3.207
  191    HZ3  LYS  22           HZ3      LYS  22   7.198 -12.183  -2.171
  192    H    GLU  23           HN       GLU  23   6.674  -5.689  -2.891
  193    HA   GLU  23           HA       GLU  23   9.295  -6.547  -2.203
  194    HB2  GLU  23           HB2      GLU  23   8.756  -6.532  -4.508
  195    HB3  GLU  23           HB1      GLU  23   8.126  -4.896  -4.435
  196    HG2  GLU  23           HG2      GLU  23  10.330  -3.994  -4.201
  197    HG3  GLU  23           HG1      GLU  23  11.023  -5.610  -4.072
  198    H    SER  24           HN       SER  24   7.807  -3.283  -2.381
  199    HA   SER  24           HA       SER  24  10.062  -1.878  -1.619
  200    HB2  SER  24           HB2      SER  24   7.247  -1.135  -0.887
  201    HB3  SER  24           HB1      SER  24   8.619  -0.055  -1.107
  202    HG   SER  24           HG       SER  24   6.919  -0.625  -2.916
  203    H    LEU  25           HN       LEU  25   7.513  -3.231   0.497
  204    HA   LEU  25           HA       LEU  25   8.566  -2.149   2.937
  205    HB2  LEU  25           HB2      LEU  25   6.581  -4.298   2.270
  206    HB3  LEU  25           HB1      LEU  25   7.135  -4.056   3.913
  207    HG   LEU  25           HG       LEU  25   5.869  -1.850   2.301
  208   HD11  LEU  25          HD11      LEU  25   3.821  -2.373   3.640
  209   HD12  LEU  25          HD12      LEU  25   4.587  -3.894   4.100
  210   HD13  LEU  25          HD13      LEU  25   4.223  -3.565   2.406
  211   HD21  LEU  25          HD21      LEU  25   6.164  -2.239   5.278
  212   HD22  LEU  25          HD22      LEU  25   5.501  -0.825   4.447
  213   HD23  LEU  25          HD23      LEU  25   7.215  -1.221   4.281
  214    H    GLU  26           HN       GLU  26   8.852  -5.295   1.355
  215    HA   GLU  26           HA       GLU  26  10.396  -6.367   3.480
  216    HB2  GLU  26           HB2      GLU  26   9.947  -7.272   0.645
  217    HB3  GLU  26           HB1      GLU  26  11.092  -8.108   1.686
  218    HG2  GLU  26           HG2      GLU  26   9.185  -8.352   3.339
  219    HG3  GLU  26           HG1      GLU  26   8.125  -7.831   2.030
  220    H    LEU  27           HN       LEU  27  11.255  -4.713   0.479
  221    HA   LEU  27           HA       LEU  27  14.060  -5.159   0.702
  222    HB2  LEU  27           HB2      LEU  27  12.361  -3.193  -0.785
  223    HB3  LEU  27           HB1      LEU  27  14.106  -3.057  -0.769
  224    HG   LEU  27           HG       LEU  27  12.707  -5.544  -1.715
  225   HD11  LEU  27          HD11      LEU  27  13.621  -3.185  -3.355
  226   HD12  LEU  27          HD12      LEU  27  11.942  -3.610  -3.028
  227   HD13  LEU  27          HD13      LEU  27  12.957  -4.696  -3.975
  228   HD21  LEU  27          HD21      LEU  27  15.085  -5.736  -1.125
  229   HD22  LEU  27          HD22      LEU  27  15.455  -4.406  -2.227
  230   HD23  LEU  27          HD23      LEU  27  14.824  -5.930  -2.859
  231    H    MET  28           HN       MET  28  11.921  -3.029   2.424
  232    HA   MET  28           HA       MET  28  13.820  -0.991   2.808
  233    HB2  MET  28           HB2      MET  28  11.228  -1.669   4.065
  234    HB3  MET  28           HB1      MET  28  12.326  -0.778   5.107
  235    HG2  MET  28           HG2      MET  28  10.651   0.552   3.732
  236    HG3  MET  28           HG1      MET  28  12.327   1.089   3.712
  237    HE1  MET  28           HE1      MET  28  14.013  -0.011   1.385
  238    HE2  MET  28           HE2      MET  28  13.548   1.563   2.029
  239    HE3  MET  28           HE3      MET  28  13.341   1.215   0.312
  240    H    GLU  29           HN       GLU  29  13.887  -4.124   3.872
  241    HA   GLU  29           HA       GLU  29  15.382  -3.590   6.310
  242    HB2  GLU  29           HB2      GLU  29  15.217  -5.873   6.737
  243    HB3  GLU  29           HB1      GLU  29  13.692  -5.496   5.948
  244    HG2  GLU  29           HG2      GLU  29  14.697  -6.292   3.804
  245    HG3  GLU  29           HG1      GLU  29  16.097  -6.828   4.728
  246    H    LEU  30           HN       LEU  30  15.979  -4.012   2.949
  247    HA   LEU  30           HA       LEU  30  18.678  -5.023   3.446
  248    HB2  LEU  30           HB2      LEU  30  18.518  -6.147   1.541
  249    HB3  LEU  30           HB1      LEU  30  16.810  -5.787   1.623
  250    HG   LEU  30           HG       LEU  30  18.816  -4.148   0.093
  251   HD11  LEU  30          HD11      LEU  30  17.858  -5.212  -1.899
  252   HD12  LEU  30          HD12      LEU  30  16.883  -6.253  -0.858
  253   HD13  LEU  30          HD13      LEU  30  18.642  -6.383  -0.839
  254   HD21  LEU  30          HD21      LEU  30  15.818  -4.092   0.242
  255   HD22  LEU  30          HD22      LEU  30  16.734  -3.319  -1.045
  256   HD23  LEU  30          HD23      LEU  30  16.943  -2.789   0.623
  257    H    VAL  31           HN       VAL  31  17.247  -2.127   3.258
  258    HA   VAL  31           HA       VAL  31  19.477  -0.875   1.822
  259    HB   VAL  31           HB       VAL  31  17.444   0.027   1.011
  260   HG11  VAL  31          HG11      VAL  31  15.954  -0.715   2.785
  261   HG12  VAL  31          HG12      VAL  31  15.714   0.998   2.431
  262   HG13  VAL  31          HG13      VAL  31  16.616   0.511   3.868
  263   HG21  VAL  31          HG21      VAL  31  18.818   1.841   1.097
  264   HG22  VAL  31          HG22      VAL  31  19.007   1.760   2.847
  265   HG23  VAL  31          HG23      VAL  31  17.527   2.413   2.152
  266    HA   PRO  32           HA       PRO  32  21.606  -0.280   5.679
  267    HB2  PRO  32           HB2      PRO  32  22.338   2.272   4.276
  268    HB3  PRO  32           HB1      PRO  32  23.370   1.168   5.193
  269    HG2  PRO  32           HG2      PRO  32  23.332   1.128   2.517
  270    HG3  PRO  32           HG1      PRO  32  23.505  -0.360   3.464
  271    HD2  PRO  32           HD2      PRO  32  21.196   0.614   1.895
  272    HD3  PRO  32           HD1      PRO  32  21.623  -1.043   2.366
  273    H    GLN  33           HN       GLN  33  20.673   0.410   7.491
  274    HA   GLN  33           HA       GLN  33  18.435   1.992   7.660
  275    HB2  GLN  33           HB2      GLN  33  19.053   0.486   9.432
  276    HB3  GLN  33           HB1      GLN  33  20.504   1.414   9.777
  277    HG2  GLN  33           HG2      GLN  33  18.847   1.897  11.434
  278    HG3  GLN  33           HG1      GLN  33  19.088   3.324  10.427
  279   HE21  GLN  33          HE21      GLN  33  17.081   4.168  10.956
  280   HE22  GLN  33          HE22      GLN  33  15.609   3.508  10.338
  281    HA   PRO  34           HA       PRO  34  21.221   5.721   9.094
  282    HB2  PRO  34           HB2      PRO  34  23.611   5.268   7.393
  283    HB3  PRO  34           HB1      PRO  34  23.511   5.861   9.054
  284    HG2  PRO  34           HG2      PRO  34  24.362   3.384   8.522
  285    HG3  PRO  34           HG1      PRO  34  23.367   3.731   9.948
  286    HD2  PRO  34           HD2      PRO  34  22.582   2.489   7.342
  287    HD3  PRO  34           HD1      PRO  34  22.059   2.083   8.988
  288    H    LEU  35           HN       LEU  35  21.233   4.283   5.910
  289    HA   LEU  35           HA       LEU  35  21.306   6.782   4.486
  290    HB2  LEU  35           HB2      LEU  35  22.340   4.866   3.470
  291    HB3  LEU  35           HB1      LEU  35  20.886   3.909   3.661
  292    HG   LEU  35           HG       LEU  35  19.759   5.397   2.030
  293   HD11  LEU  35          HD11      LEU  35  21.140   7.378   2.289
  294   HD12  LEU  35          HD12      LEU  35  21.108   6.841   0.609
  295   HD13  LEU  35          HD13      LEU  35  22.520   6.511   1.614
  296   HD21  LEU  35          HD21      LEU  35  20.685   3.261   1.344
  297   HD22  LEU  35          HD22      LEU  35  22.252   4.019   1.063
  298   HD23  LEU  35          HD23      LEU  35  20.867   4.460   0.063
  299    H    VAL  36           HN       VAL  36  18.903   4.551   5.685
  300    HA   VAL  36           HA       VAL  36  16.704   5.603   4.175
  301    HB   VAL  36           HB       VAL  36  16.831   3.948   6.700
  302   HG11  VAL  36          HG11      VAL  36  14.382   4.953   5.252
  303   HG12  VAL  36          HG12      VAL  36  14.858   5.318   6.910
  304   HG13  VAL  36          HG13      VAL  36  14.373   3.680   6.472
  305   HG21  VAL  36          HG21      VAL  36  15.897   3.331   3.897
  306   HG22  VAL  36          HG22      VAL  36  15.876   2.211   5.260
  307   HG23  VAL  36          HG23      VAL  36  17.413   2.803   4.629
  308    H    ASP  37           HN       ASP  37  18.049   6.151   7.397
  309    HA   ASP  37           HA       ASP  37  16.203   8.022   8.341
  310    HB2  ASP  37           HB2      ASP  37  19.167   7.746   8.878
  311    HB3  ASP  37           HB1      ASP  37  18.113   8.845   9.762
  312    H    SER  38           HN       SER  38  19.143   8.461   6.346
  313    HA   SER  38           HA       SER  38  19.103  11.237   6.296
  314    HB2  SER  38           HB2      SER  38  20.977   9.899   5.419
  315    HB3  SER  38           HB1      SER  38  19.968   9.365   4.075
  316    HG   SER  38           HG       SER  38  20.051  11.346   3.201
  317    H    TYR  39           HN       TYR  39  17.486   8.887   4.196
  318    HA   TYR  39           HA       TYR  39  16.300  10.660   2.393
  319    HB2  TYR  39           HB2      TYR  39  16.136   8.466   1.700
  320    HB3  TYR  39           HB1      TYR  39  15.735   7.876   3.310
  321    HD1  TYR  39           HD2      TYR  39  14.359   9.707   0.391
  322    HD2  TYR  39           HD1      TYR  39  13.496   7.543   3.950
  323    HE1  TYR  39           HE2      TYR  39  11.981   9.665  -0.218
  324    HE2  TYR  39           HE1      TYR  39  11.118   7.502   3.358
  325    HH   TYR  39           HH       TYR  39   9.537   8.718   1.974
  326    H    ARG  40           HN       ARG  40  15.141   9.322   5.457
  327    HA   ARG  40           HA       ARG  40  12.605  10.385   5.505
  328    HB2  ARG  40           HB2      ARG  40  14.529   9.829   7.760
  329    HB3  ARG  40           HB1      ARG  40  12.846  10.271   8.019
  330    HG2  ARG  40           HG2      ARG  40  12.132   8.294   6.779
  331    HG3  ARG  40           HG1      ARG  40  13.820   7.855   6.510
  332    HD2  ARG  40           HD2      ARG  40  14.158   7.662   8.922
  333    HD3  ARG  40           HD1      ARG  40  12.478   8.118   9.198
  334    HE   ARG  40           HE       ARG  40  12.457   5.909   7.517
  335   HH11  ARG  40          HH11      ARG  40  13.468   6.687  10.760
  336   HH12  ARG  40          HH12      ARG  40  13.190   5.089  11.368
  337   HH21  ARG  40          HH21      ARG  40  12.087   3.803   8.310
  338   HH22  ARG  40          HH22      ARG  40  12.407   3.450   9.975
  339    H    GLN  41           HN       GLN  41  15.674  11.833   6.354
  340    HA   GLN  41           HA       GLN  41  14.746  14.190   7.553
  341    HB2  GLN  41           HB2      GLN  41  17.246  13.795   5.891
  342    HB3  GLN  41           HB1      GLN  41  16.932  15.194   6.906
  343    HG2  GLN  41           HG2      GLN  41  16.862  13.736   8.875
  344    HG3  GLN  41           HG1      GLN  41  17.217  12.351   7.845
  345   HE21  GLN  41          HE21      GLN  41  18.472  15.258   9.280
  346   HE22  GLN  41          HE22      GLN  41  20.141  14.927   8.981
  347    H    GLN  42           HN       GLN  42  15.653  13.572   4.165
  348    HA   GLN  42           HA       GLN  42  14.868  16.085   3.160
  349    HB2  GLN  42           HB2      GLN  42  16.305  14.537   1.906
  350    HB3  GLN  42           HB1      GLN  42  14.965  13.410   1.746
  351    HG2  GLN  42           HG2      GLN  42  13.737  15.050   0.421
  352    HG3  GLN  42           HG1      GLN  42  15.074  16.188   0.588
  353   HE21  GLN  42          HE21      GLN  42  13.891  15.013  -1.812
  354   HE22  GLN  42          HE22      GLN  42  15.182  14.216  -2.638
  355    H    GLN  43           HN       GLN  43  13.093  13.267   4.035
  356    HA   GLN  43           HA       GLN  43  10.691  13.948   2.600
  357    HB2  GLN  43           HB2      GLN  43  11.192  11.621   3.011
  358    HB3  GLN  43           HB1      GLN  43  11.297  11.903   4.742
  359    HG2  GLN  43           HG2      GLN  43   8.877  12.535   4.692
  360    HG3  GLN  43           HG1      GLN  43   8.841  11.988   3.015
  361   HE21  GLN  43          HE21      GLN  43   9.183  11.025   6.342
  362   HE22  GLN  43          HE22      GLN  43   8.923   9.336   6.090
  363    H    GLN  44           HN       GLN  44  11.985  14.395   5.818
  364    HA   GLN  44           HA       GLN  44   9.564  15.234   7.056
  365    HB2  GLN  44           HB2      GLN  44  11.621  14.404   8.261
  366    HB3  GLN  44           HB1      GLN  44  12.381  15.940   7.880
  367    HG2  GLN  44           HG2      GLN  44  11.449  15.839  10.162
  368    HG3  GLN  44           HG1      GLN  44  10.791  17.143   9.180
  369   HE21  GLN  44          HE21      GLN  44   9.829  13.774   8.887
  370   HE22  GLN  44          HE22      GLN  44   8.223  13.994   9.473
  371    H    LEU  45           HN       LEU  45  11.889  16.710   5.015
  372    HA   LEU  45           HA       LEU  45  11.674  19.401   5.644
  373    HB2  LEU  45           HB2      LEU  45  13.271  18.996   4.047
  374    HB3  LEU  45           HB1      LEU  45  12.272  17.844   3.185
  375    HG   LEU  45           HG       LEU  45  10.878  19.960   2.530
  376   HD11  LEU  45          HD11      LEU  45  13.551  21.141   3.258
  377   HD12  LEU  45          HD12      LEU  45  11.975  21.567   3.927
  378   HD13  LEU  45          HD13      LEU  45  12.350  21.940   2.244
  379   HD21  LEU  45          HD21      LEU  45  12.449  20.311   0.586
  380   HD22  LEU  45          HD22      LEU  45  11.912  18.655   0.861
  381   HD23  LEU  45          HD23      LEU  45  13.528  19.153   1.365
  382    H    LEU  46           HN       LEU  46   9.675  17.509   3.383
  383    HA   LEU  46           HA       LEU  46   7.716  19.694   3.415
  384    HB2  LEU  46           HB2      LEU  46   8.773  18.041   1.315
  385    HB3  LEU  46           HB1      LEU  46   7.031  17.859   1.402
  386    HG   LEU  46           HG       LEU  46   7.671  19.594  -0.197
  387   HD11  LEU  46          HD11      LEU  46   6.256  21.400   0.658
  388   HD12  LEU  46          HD12      LEU  46   6.321  20.682   2.268
  389   HD13  LEU  46          HD13      LEU  46   5.542  19.813   0.945
  390   HD21  LEU  46          HD21      LEU  46   8.881  20.990   2.186
  391   HD22  LEU  46          HD22      LEU  46   8.688  21.682   0.575
  392   HD23  LEU  46          HD23      LEU  46   9.763  20.305   0.821
  393    H    GLN  47           HN       GLN  47   7.456  16.191   2.784
  394    HA   GLN  47           HA       GLN  47   5.931  14.646   3.480
  395    HB2  GLN  47           HB2      GLN  47   7.057  15.614   5.722
  396    HB3  GLN  47           HB1      GLN  47   5.391  16.091   6.019
  397    HG2  GLN  47           HG2      GLN  47   6.327  13.295   5.423
  398    HG3  GLN  47           HG1      GLN  47   5.936  13.927   7.021
  399   HE21  GLN  47          HE21      GLN  47   4.680  12.872   3.964
  400   HE22  GLN  47          HE22      GLN  47   3.025  12.764   4.448
  401    H    ARG  48           HN       ARG  48   5.040  17.006   2.032
  402    HA   ARG  48           HA       ARG  48   2.205  16.815   2.683
  403    HB2  ARG  48           HB2      ARG  48   3.679  19.431   2.364
  404    HB3  ARG  48           HB1      ARG  48   1.928  19.277   2.368
  405    HG2  ARG  48           HG2      ARG  48   2.035  18.364   4.643
  406    HG3  ARG  48           HG1      ARG  48   3.784  18.598   4.633
  407    HD2  ARG  48           HD2      ARG  48   3.452  21.003   4.299
  408    HD3  ARG  48           HD1      ARG  48   1.705  20.762   4.329
  409    HE   ARG  48           HE       ARG  48   2.872  19.721   6.682
  410   HH11  ARG  48          HH11      ARG  48   2.082  22.741   5.133
  411   HH12  ARG  48          HH12      ARG  48   1.911  23.608   6.623
  412   HH21  ARG  48          HH21      ARG  48   2.649  20.855   8.647
  413   HH22  ARG  48          HH22      ARG  48   2.234  22.536   8.619
  414    H    ASP   1           HT1      ASP   1  -4.332 -16.551 -16.175
  415    HA   ASP   1           HA       ASP   1  -5.683 -16.003 -14.260
  416    HB2  ASP   1           HB2      ASP   1  -3.866 -16.099 -12.561
  417    HB3  ASP   1           HB1      ASP   1  -3.645 -17.254 -13.872
  418    H    GLU   2           HN       GLU   2  -6.361 -14.570 -12.716
  419    HA   GLU   2           HA       GLU   2  -5.103 -12.064 -12.212
  420    HB2  GLU   2           HB2      GLU   2  -6.862 -10.611 -13.143
  421    HB3  GLU   2           HB1      GLU   2  -6.019 -11.504 -14.401
  422    HG2  GLU   2           HG2      GLU   2  -7.874 -13.105 -14.490
  423    HG3  GLU   2           HG1      GLU   2  -8.722 -12.172 -13.258
  424    H    ASP   3           HN       ASP   3  -6.995 -14.552 -11.370
  425    HA   ASP   3           HA       ASP   3  -8.968 -13.260  -9.760
  426    HB2  ASP   3           HB2      ASP   3  -7.911 -16.088  -9.571
  427    HB3  ASP   3           HB1      ASP   3  -9.395 -15.482  -8.841
  428    H    THR   4           HN       THR   4  -8.204 -15.240  -7.460
  429    HA   THR   4           HA       THR   4  -6.857 -13.239  -5.943
  430    HB   THR   4           HB       THR   4  -6.895 -15.894  -4.744
  431    HG1  THR   4           HG1      THR   4  -9.137 -16.017  -4.597
  432   HG21  THR   4          HG21      THR   4  -7.910 -13.167  -3.971
  433   HG22  THR   4          HG22      THR   4  -6.446 -13.968  -3.393
  434   HG23  THR   4          HG23      THR   4  -8.032 -14.589  -2.933
  435    H    TYR   5           HN       TYR   5  -4.910 -13.270  -5.047
  436    HA   TYR   5           HA       TYR   5  -2.880 -15.002  -6.292
  437    HB2  TYR   5           HB2      TYR   5  -2.953 -12.048  -5.888
  438    HB3  TYR   5           HB1      TYR   5  -1.440 -12.925  -6.092
  439    HD1  TYR   5           HD2      TYR   5  -1.152 -14.334  -8.187
  440    HD2  TYR   5           HD1      TYR   5  -4.239 -11.442  -7.750
  441    HE1  TYR   5           HE2      TYR   5  -1.427 -14.270 -10.626
  442    HE2  TYR   5           HE1      TYR   5  -4.523 -11.366 -10.190
  443    HH   TYR   5           HH       TYR   5  -3.487 -11.934 -12.186
  444    H    TYR   6           HN       TYR   6  -0.877 -15.134  -4.939
  445    HA   TYR   6           HA       TYR   6  -1.453 -14.534  -2.117
  446    HB2  TYR   6           HB2      TYR   6   0.496 -16.651  -3.052
  447    HB3  TYR   6           HB1      TYR   6  -0.192 -16.448  -1.446
  448    HD1  TYR   6           HD2      TYR   6  -3.070 -16.051  -2.222
  449    HD2  TYR   6           HD1      TYR   6  -0.173 -18.858  -3.571
  450    HE1  TYR   6           HE2      TYR   6  -4.871 -17.620  -2.778
  451    HE2  TYR   6           HE1      TYR   6  -1.968 -20.441  -4.141
  452    HH   TYR   6           HH       TYR   6  -4.302 -20.889  -3.500
  453    H    LEU   7           HN       LEU   7  -0.210 -13.237  -1.062
  454    HA   LEU   7           HA       LEU   7   2.233 -12.198  -2.369
  455    HB2  LEU   7           HB2      LEU   7  -0.106 -10.955  -1.489
  456    HB3  LEU   7           HB1      LEU   7   1.055 -10.617  -0.238
  457    HG   LEU   7           HG       LEU   7   2.073  -9.037  -1.445
  458   HD11  LEU   7          HD11      LEU   7   3.307  -9.859  -3.109
  459   HD12  LEU   7          HD12      LEU   7   1.963  -9.339  -4.133
  460   HD13  LEU   7          HD13      LEU   7   2.070 -11.017  -3.590
  461   HD21  LEU   7          HD21      LEU   7   0.592  -7.936  -3.052
  462   HD22  LEU   7          HD22      LEU   7  -0.254  -8.447  -1.590
  463   HD23  LEU   7          HD23      LEU   7  -0.423  -9.378  -3.078
  464    H    GLN   8           HN       GLN   8   4.012 -13.060  -1.354
  465    HA   GLN   8           HA       GLN   8   3.769 -13.821   1.414
  466    HB2  GLN   8           HB2      GLN   8   5.065 -14.989  -0.615
  467    HB3  GLN   8           HB1      GLN   8   6.365 -13.993   0.001
  468    HG2  GLN   8           HG2      GLN   8   5.644 -15.066   2.283
  469    HG3  GLN   8           HG1      GLN   8   5.034 -16.327   1.211
  470   HE21  GLN   8          HE21      GLN   8   6.488 -17.876   1.658
  471   HE22  GLN   8          HE22      GLN   8   8.180 -17.757   1.320
  472    H    VAL   9           HN       VAL   9   4.116 -12.433   2.961
  473    HA   VAL   9           HA       VAL   9   5.993 -10.258   2.443
  474    HB   VAL   9           HB       VAL   9   3.351 -10.126   3.895
  475   HG11  VAL   9          HG11      VAL   9   5.507  -8.037   3.733
  476   HG12  VAL   9          HG12      VAL   9   4.909  -8.851   5.180
  477   HG13  VAL   9          HG13      VAL   9   3.860  -7.745   4.294
  478   HG21  VAL   9          HG21      VAL   9   4.324  -8.544   1.529
  479   HG22  VAL   9          HG22      VAL   9   2.697  -8.566   2.210
  480   HG23  VAL   9          HG23      VAL   9   3.339 -10.002   1.412
  481    H    ARG  10           HN       ARG  10   7.587 -10.006   3.869
  482    HA   ARG  10           HA       ARG  10   7.506 -11.732   6.242
  483    HB2  ARG  10           HB2      ARG  10   9.432 -11.709   4.457
  484    HB3  ARG  10           HB1      ARG  10   9.968 -10.280   5.328
  485    HG2  ARG  10           HG2      ARG  10   9.414 -12.824   6.796
  486    HG3  ARG  10           HG1      ARG  10  10.945 -12.585   5.953
  487    HD2  ARG  10           HD2      ARG  10  11.323 -10.534   7.246
  488    HD3  ARG  10           HD1      ARG  10   9.803 -10.798   8.097
  489    HE   ARG  10           HE       ARG  10  11.325 -13.091   8.431
  490   HH11  ARG  10          HH11      ARG  10  11.521  -9.712   9.264
  491   HH12  ARG  10          HH12      ARG  10  12.443  -9.989  10.704
  492   HH21  ARG  10          HH21      ARG  10  12.538 -13.463  10.324
  493   HH22  ARG  10          HH22      ARG  10  13.021 -12.121  11.306
  494    H    GLY  11           HN       GLY  11   7.698 -10.990   8.279
  495    HA2  GLY  11           HA2      GLY  11   8.110  -9.392   9.957
  496    HA3  GLY  11           HA1      GLY  11   8.261  -8.159   8.712
  497    H    ARG  12           HN       ARG  12   6.462  -8.960  11.245
  498    HA   ARG  12           HA       ARG  12   3.813  -8.955  10.483
  499    HB2  ARG  12           HB2      ARG  12   4.923  -9.199  12.818
  500    HB3  ARG  12           HB1      ARG  12   4.705  -7.456  12.919
  501    HG2  ARG  12           HG2      ARG  12   2.840  -8.429  13.976
  502    HG3  ARG  12           HG1      ARG  12   2.273  -7.844  12.412
  503    HD2  ARG  12           HD2      ARG  12   2.540 -10.130  11.509
  504    HD3  ARG  12           HD1      ARG  12   2.992 -10.684  13.120
  505    HE   ARG  12           HE       ARG  12   0.376  -9.423  12.654
  506   HH11  ARG  12          HH11      ARG  12   2.302 -12.142  13.678
  507   HH12  ARG  12          HH12      ARG  12   0.955 -13.014  14.330
  508   HH21  ARG  12          HH21      ARG  12  -1.401 -10.564  13.511
  509   HH22  ARG  12          HH22      ARG  12  -1.149 -12.116  14.237
  510    H    GLU  13           HN       GLU  13   5.805  -6.137  11.221
  511    HA   GLU  13           HA       GLU  13   3.903  -4.152  10.978
  512    HB2  GLU  13           HB2      GLU  13   6.223  -3.770  11.744
  513    HB3  GLU  13           HB1      GLU  13   6.787  -3.952  10.089
  514    HG2  GLU  13           HG2      GLU  13   5.676  -1.967   9.405
  515    HG3  GLU  13           HG1      GLU  13   4.817  -1.849  10.940
  516    H    ASN  14           HN       ASN  14   5.863  -5.563   8.364
  517    HA   ASN  14           HA       ASN  14   4.768  -3.920   6.296
  518    HB2  ASN  14           HB2      ASN  14   6.150  -6.595   6.072
  519    HB3  ASN  14           HB1      ASN  14   5.916  -5.419   4.785
  520   HD21  ASN  14          HD21      ASN  14   8.377  -6.553   5.793
  521   HD22  ASN  14          HD22      ASN  14   9.343  -5.227   6.335
  522    H    PHE  15           HN       PHE  15   4.038  -7.196   7.504
  523    HA   PHE  15           HA       PHE  15   2.162  -7.812   5.513
  524    HB2  PHE  15           HB2      PHE  15   3.209  -9.510   6.962
  525    HB3  PHE  15           HB1      PHE  15   2.377  -8.841   8.359
  526    HD1  PHE  15           HD2      PHE  15   1.280  -9.808   4.918
  527    HD2  PHE  15           HD1      PHE  15   0.785 -10.289   9.125
  528    HE1  PHE  15           HE2      PHE  15  -0.589 -11.341   4.517
  529    HE2  PHE  15           HE1      PHE  15  -1.112 -11.820   8.716
  530    HZ   PHE  15           HZ       PHE  15  -1.790 -12.342   6.408
  531    H    GLU  16           HN       GLU  16   1.652  -6.544   8.815
  532    HA   GLU  16           HA       GLU  16  -1.103  -6.329   8.681
  533    HB2  GLU  16           HB2      GLU  16   0.878  -4.594  10.161
  534    HB3  GLU  16           HB1      GLU  16  -0.861  -4.524  10.413
  535    HG2  GLU  16           HG2      GLU  16   0.878  -6.941  10.858
  536    HG3  GLU  16           HG1      GLU  16   0.259  -5.868  12.113
  537    H    ILE  17           HN       ILE  17   1.338  -4.140   7.445
  538    HA   ILE  17           HA       ILE  17  -0.467  -1.970   6.889
  539    HB   ILE  17           HB       ILE  17   2.381  -2.518   6.460
  540   HG12  ILE  17          HG12      ILE  17   0.950   0.092   6.834
  541   HG13  ILE  17          HG11      ILE  17   1.256  -1.007   8.170
  542   HG21  ILE  17          HG21      ILE  17   0.928  -0.725   4.522
  543   HG22  ILE  17          HG22      ILE  17   1.835  -2.186   4.124
  544   HG23  ILE  17          HG23      ILE  17   2.681  -0.764   4.755
  545   HD11  ILE  17          HD11      ILE  17   2.961   0.601   8.199
  546   HD12  ILE  17          HD12      ILE  17   3.210   0.469   6.455
  547   HD13  ILE  17          HD13      ILE  17   3.688  -0.858   7.521
  548    H    LEU  18           HN       LEU  18   0.845  -4.701   5.073
  549    HA   LEU  18           HA       LEU  18  -0.378  -3.975   2.554
  550    HB2  LEU  18           HB2      LEU  18   1.216  -6.261   3.628
  551    HB3  LEU  18           HB1      LEU  18   0.321  -6.436   2.131
  552    HG   LEU  18           HG       LEU  18   2.143  -4.097   2.389
  553   HD11  LEU  18          HD11      LEU  18   3.341  -6.187   3.222
  554   HD12  LEU  18          HD12      LEU  18   4.084  -5.312   1.884
  555   HD13  LEU  18          HD13      LEU  18   3.177  -6.790   1.574
  556   HD21  LEU  18          HD21      LEU  18   0.818  -4.265   0.408
  557   HD22  LEU  18          HD22      LEU  18   1.288  -5.948   0.173
  558   HD23  LEU  18          HD23      LEU  18   2.482  -4.665  -0.017
  559    H    MET  19           HN       MET  19  -1.203  -5.894   5.378
  560    HA   MET  19           HA       MET  19  -3.260  -7.359   4.055
  561    HB2  MET  19           HB2      MET  19  -1.921  -7.825   6.365
  562    HB3  MET  19           HB1      MET  19  -3.336  -7.028   7.028
  563    HG2  MET  19           HG2      MET  19  -3.235  -9.577   5.450
  564    HG3  MET  19           HG1      MET  19  -3.688  -9.365   7.134
  565    HE1  MET  19           HE1      MET  19  -6.869 -10.533   5.059
  566    HE2  MET  19           HE2      MET  19  -5.960 -10.886   6.527
  567    HE3  MET  19           HE3      MET  19  -5.168 -10.985   4.953
  568    H    LYS  20           HN       LYS  20  -3.240  -4.448   6.146
  569    HA   LYS  20           HA       LYS  20  -6.054  -4.145   6.131
  570    HB2  LYS  20           HB2      LYS  20  -4.958  -2.706   7.637
  571    HB3  LYS  20           HB1      LYS  20  -3.761  -2.222   6.442
  572    HG2  LYS  20           HG2      LYS  20  -5.045  -0.332   6.446
  573    HG3  LYS  20           HG1      LYS  20  -5.923  -1.241   5.233
  574    HD2  LYS  20           HD2      LYS  20  -7.663  -1.661   6.616
  575    HD3  LYS  20           HD1      LYS  20  -6.663  -1.593   8.067
  576    HE2  LYS  20           HE2      LYS  20  -6.554   0.806   7.934
  577    HE3  LYS  20           HE1      LYS  20  -7.409   0.793   6.395
  578    HZ1  LYS  20           HZ1      LYS  20  -8.529  -0.087   9.000
  579    HZ2  LYS  20           HZ2      LYS  20  -9.352  -0.098   7.522
  580    HZ3  LYS  20           HZ3      LYS  20  -8.881   1.371   8.216
  581    H    LEU  21           HN       LEU  21  -3.497  -3.623   3.917
  582    HA   LEU  21           HA       LEU  21  -4.982  -1.936   2.144
  583    HB2  LEU  21           HB2      LEU  21  -2.400  -2.187   2.478
  584    HB3  LEU  21           HB1      LEU  21  -2.560  -3.473   1.305
  585    HG   LEU  21           HG       LEU  21  -2.890  -0.535   0.954
  586   HD11  LEU  21          HD11      LEU  21  -1.352  -0.770  -0.744
  587   HD12  LEU  21          HD12      LEU  21  -1.724  -2.476  -0.983
  588   HD13  LEU  21          HD13      LEU  21  -0.816  -1.964   0.437
  589   HD21  LEU  21          HD21      LEU  21  -4.167  -2.618  -0.806
  590   HD22  LEU  21          HD22      LEU  21  -3.931  -0.928  -1.254
  591   HD23  LEU  21          HD23      LEU  21  -4.986  -1.343   0.097
  592    H    LYS  22           HN       LYS  22  -4.199  -5.401   2.254
  593    HA   LYS  22           HA       LYS  22  -5.217  -6.096  -0.264
  594    HB2  LYS  22           HB2      LYS  22  -3.887  -7.678   0.995
  595    HB3  LYS  22           HB1      LYS  22  -5.039  -7.662   2.322
  596    HG2  LYS  22           HG2      LYS  22  -6.370  -8.407  -0.102
  597    HG3  LYS  22           HG1      LYS  22  -4.946  -9.418   0.140
  598    HD2  LYS  22           HD2      LYS  22  -6.625  -8.961   2.523
  599    HD3  LYS  22           HD1      LYS  22  -7.354  -9.929   1.241
  600    HE2  LYS  22           HE2      LYS  22  -5.172 -11.272   1.269
  601    HE3  LYS  22           HE1      LYS  22  -4.846 -10.468   2.803
  602    HZ1  LYS  22           HZ1      LYS  22  -6.978 -11.344   3.621
  603    HZ2  LYS  22           HZ2      LYS  22  -5.889 -12.569   3.207
  604    HZ3  LYS  22           HZ3      LYS  22  -7.174 -12.196   2.172
  605    H    GLU  23           HN       GLU  23  -6.662  -5.699   2.888
  606    HA   GLU  23           HA       GLU  23  -9.282  -6.564   2.201
  607    HB2  GLU  23           HB2      GLU  23  -8.742  -6.549   4.506
  608    HB3  GLU  23           HB1      GLU  23  -8.115  -4.911   4.434
  609    HG2  GLU  23           HG2      GLU  23 -10.321  -4.014   4.199
  610    HG3  GLU  23           HG1      GLU  23 -11.011  -5.632   4.073
  611    H    SER  24           HN       SER  24  -7.799  -3.298   2.378
  612    HA   SER  24           HA       SER  24 -10.058  -1.897   1.618
  613    HB2  SER  24           HB2      SER  24  -7.245  -1.149   0.884
  614    HB3  SER  24           HB1      SER  24  -8.619  -0.072   1.105
  615    HG   SER  24           HG       SER  24  -6.918  -0.636   2.913
  616    H    LEU  25           HN       LEU  25  -7.506  -3.246  -0.499
  617    HA   LEU  25           HA       LEU  25  -8.563  -2.167  -2.939
  618    HB2  LEU  25           HB2      LEU  25  -6.573  -4.311  -2.271
  619    HB3  LEU  25           HB1      LEU  25  -7.127  -4.072  -3.914
  620    HG   LEU  25           HG       LEU  25  -5.865  -1.862  -2.304
  621   HD11  LEU  25          HD11      LEU  25  -3.817  -2.381  -3.642
  622   HD12  LEU  25          HD12      LEU  25  -4.580  -3.904  -4.103
  623   HD13  LEU  25          HD13      LEU  25  -4.217  -3.574  -2.408
  624   HD21  LEU  25          HD21      LEU  25  -6.161  -2.252  -5.281
  625   HD22  LEU  25          HD22      LEU  25  -5.501  -0.836  -4.451
  626   HD23  LEU  25          HD23      LEU  25  -7.214  -1.236  -4.284
  627    H    GLU  26           HN       GLU  26  -8.840  -5.314  -1.357
  628    HA   GLU  26           HA       GLU  26 -10.384  -6.389  -3.480
  629    HB2  GLU  26           HB2      GLU  26  -9.934  -7.292  -0.645
  630    HB3  GLU  26           HB1      GLU  26 -11.077  -8.131  -1.686
  631    HG2  GLU  26           HG2      GLU  26  -9.170  -8.371  -3.338
  632    HG3  GLU  26           HG1      GLU  26  -8.111  -7.846  -2.030
  633    H    LEU  27           HN       LEU  27 -11.247  -4.736  -0.478
  634    HA   LEU  27           HA       LEU  27 -14.050  -5.187  -0.700
  635    HB2  LEU  27           HB2      LEU  27 -12.354  -3.218   0.785
  636    HB3  LEU  27           HB1      LEU  27 -14.099  -3.084   0.770
  637    HG   LEU  27           HG       LEU  27 -12.697  -5.568   1.715
  638   HD11  LEU  27          HD11      LEU  27 -13.615  -3.210   3.355
  639   HD12  LEU  27          HD12      LEU  27 -11.934  -3.632   3.027
  640   HD13  LEU  27          HD13      LEU  27 -12.948  -4.720   3.976
  641   HD21  LEU  27          HD21      LEU  27 -15.074  -5.764   1.127
  642   HD22  LEU  27          HD22      LEU  27 -15.447  -4.435   2.229
  643   HD23  LEU  27          HD23      LEU  27 -14.812  -5.957   2.860
  644    H    MET  28           HN       MET  28 -11.916  -3.055  -2.426
  645    HA   MET  28           HA       MET  28 -13.818  -1.019  -2.808
  646    HB2  MET  28           HB2      MET  28 -11.225  -1.692  -4.066
  647    HB3  MET  28           HB1      MET  28 -12.326  -0.804  -5.109
  648    HG2  MET  28           HG2      MET  28 -10.654   0.531  -3.736
  649    HG3  MET  28           HG1      MET  28 -12.330   1.064  -3.715
  650    HE1  MET  28           HE1      MET  28 -14.012  -0.037  -1.386
  651    HE2  MET  28           HE2      MET  28 -13.552   1.538  -2.031
  652    HE3  MET  28           HE3      MET  28 -13.343   1.192  -0.314
  653    H    GLU  29           HN       GLU  29 -13.881  -4.153  -3.872
  654    HA   GLU  29           HA       GLU  29 -15.378  -3.622  -6.309
  655    HB2  GLU  29           HB2      GLU  29 -15.209  -5.904  -6.736
  656    HB3  GLU  29           HB1      GLU  29 -13.684  -5.525  -5.948
  657    HG2  GLU  29           HG2      GLU  29 -14.687  -6.322  -3.803
  658    HG3  GLU  29           HG1      GLU  29 -16.086  -6.861  -4.728
  659    H    LEU  30           HN       LEU  30 -15.973  -4.042  -2.949
  660    HA   LEU  30           HA       LEU  30 -18.669  -5.061  -3.444
  661    HB2  LEU  30           HB2      LEU  30 -18.506  -6.185  -1.539
  662    HB3  LEU  30           HB1      LEU  30 -16.798  -5.820  -1.621
  663    HG   LEU  30           HG       LEU  30 -18.808  -4.184  -0.093
  664   HD11  LEU  30          HD11      LEU  30 -17.850  -5.247   1.901
  665   HD12  LEU  30          HD12      LEU  30 -16.874  -6.287   0.862
  666   HD13  LEU  30          HD13      LEU  30 -18.632  -6.419   0.841
  667   HD21  LEU  30          HD21      LEU  30 -15.811  -4.123  -0.241
  668   HD22  LEU  30          HD22      LEU  30 -16.727  -3.352   1.047
  669   HD23  LEU  30          HD23      LEU  30 -16.938  -2.822  -0.621
  670    H    VAL  31           HN       VAL  31 -17.241  -2.162  -3.255
  671    HA   VAL  31           HA       VAL  31 -19.475  -0.914  -1.821
  672    HB   VAL  31           HB       VAL  31 -17.443  -0.007  -1.010
  673   HG11  VAL  31          HG11      VAL  31 -15.953  -0.746  -2.785
  674   HG12  VAL  31          HG12      VAL  31 -15.716   0.966  -2.432
  675   HG13  VAL  31          HG13      VAL  31 -16.618   0.477  -3.867
  676   HG21  VAL  31          HG21      VAL  31 -18.822   1.803  -1.096
  677   HG22  VAL  31          HG22      VAL  31 -19.010   1.722  -2.846
  678   HG23  VAL  31          HG23      VAL  31 -17.532   2.378  -2.151
  679    HA   PRO  32           HA       PRO  32 -21.608  -0.325  -5.678
  680    HB2  PRO  32           HB2      PRO  32 -22.346   2.226  -4.275
  681    HB3  PRO  32           HB1      PRO  32 -23.375   1.119  -5.191
  682    HG2  PRO  32           HG2      PRO  32 -23.336   1.080  -2.515
  683    HG3  PRO  32           HG1      PRO  32 -23.506  -0.408  -3.462
  684    HD2  PRO  32           HD2      PRO  32 -21.199   0.570  -1.894
  685    HD3  PRO  32           HD1      PRO  32 -21.623  -1.088  -2.366
  686    H    GLN  33           HN       GLN  33 -20.677   0.367  -7.489
  687    HA   GLN  33           HA       GLN  33 -18.442   1.952  -7.660
  688    HB2  GLN  33           HB2      GLN  33 -19.057   0.445  -9.431
  689    HB3  GLN  33           HB1      GLN  33 -20.510   1.370  -9.776
  690    HG2  GLN  33           HG2      GLN  33 -18.856   1.856 -11.434
  691    HG3  GLN  33           HG1      GLN  33 -19.100   3.283 -10.426
  692   HE21  GLN  33          HE21      GLN  33 -17.094   4.132 -10.957
  693   HE22  GLN  33          HE22      GLN  33 -15.620   3.476 -10.339
  694    HA   PRO  34           HA       PRO  34 -21.236   5.676  -9.095
  695    HB2  PRO  34           HB2      PRO  34 -23.625   5.217  -7.392
  696    HB3  PRO  34           HB1      PRO  34 -23.526   5.810  -9.053
  697    HG2  PRO  34           HG2      PRO  34 -24.372   3.332  -8.521
  698    HG3  PRO  34           HG1      PRO  34 -23.377   3.680  -9.947
  699    HD2  PRO  34           HD2      PRO  34 -22.590   2.442  -7.340
  700    HD3  PRO  34           HD1      PRO  34 -22.066   2.035  -8.987
  701    H    LEU  35           HN       LEU  35 -21.241   4.238  -5.910
  702    HA   LEU  35           HA       LEU  35 -21.320   6.738  -4.487
  703    HB2  LEU  35           HB2      LEU  35 -22.351   4.819  -3.471
  704    HB3  LEU  35           HB1      LEU  35 -20.894   3.867  -3.661
  705    HG   LEU  35           HG       LEU  35 -19.771   5.358  -2.030
  706   HD11  LEU  35          HD11      LEU  35 -21.158   7.336  -2.290
  707   HD12  LEU  35          HD12      LEU  35 -21.124   6.799  -0.610
  708   HD13  LEU  35          HD13      LEU  35 -22.536   6.465  -1.615
  709   HD21  LEU  35          HD21      LEU  35 -20.693   3.220  -1.344
  710   HD22  LEU  35          HD22      LEU  35 -22.262   3.974  -1.064
  711   HD23  LEU  35          HD23      LEU  35 -20.878   4.418  -0.063
  712    H    VAL  36           HN       VAL  36 -18.913   4.512  -5.687
  713    HA   VAL  36           HA       VAL  36 -16.717   5.569  -4.177
  714    HB   VAL  36           HB       VAL  36 -16.841   3.912  -6.700
  715   HG11  VAL  36          HG11      VAL  36 -14.394   4.922  -5.253
  716   HG12  VAL  36          HG12      VAL  36 -14.871   5.285  -6.912
  717   HG13  VAL  36          HG13      VAL  36 -14.383   3.648  -6.472
  718   HG21  VAL  36          HG21      VAL  36 -15.905   3.300  -3.897
  719   HG22  VAL  36          HG22      VAL  36 -15.882   2.178  -5.258
  720   HG23  VAL  36          HG23      VAL  36 -17.420   2.767  -4.628
  721    H    ASP  37           HN       ASP  37 -18.064   6.114  -7.398
  722    HA   ASP  37           HA       ASP  37 -16.223   7.988  -8.343
  723    HB2  ASP  37           HB2      ASP  37 -19.186   7.704  -8.880
  724    HB3  ASP  37           HB1      ASP  37 -18.135   8.806  -9.764
  725    H    SER  38           HN       SER  38 -19.163   8.421  -6.348
  726    HA   SER  38           HA       SER  38 -19.129  11.197  -6.298
  727    HB2  SER  38           HB2      SER  38 -21.000   9.858  -5.419
  728    HB3  SER  38           HB1      SER  38 -19.990   9.325  -4.075
  729    HG   SER  38           HG       SER  38 -20.073  11.305  -3.202
  730    H    TYR  39           HN       TYR  39 -17.507   8.851  -4.197
  731    HA   TYR  39           HA       TYR  39 -16.323  10.627  -2.395
  732    HB2  TYR  39           HB2      TYR  39 -16.154   8.434  -1.702
  733    HB3  TYR  39           HB1      TYR  39 -15.753   7.844  -3.312
  734    HD1  TYR  39           HD2      TYR  39 -14.379   9.678  -0.394
  735    HD2  TYR  39           HD1      TYR  39 -13.513   7.515  -3.953
  736    HE1  TYR  39           HE2      TYR  39 -12.001   9.640   0.215
  737    HE2  TYR  39           HE1      TYR  39 -11.135   7.481  -3.363
  738    HH   TYR  39           HH       TYR  39  -9.555   8.698  -1.979
  739    H    ARG  40           HN       ARG  40 -15.163   9.291  -5.461
  740    HA   ARG  40           HA       ARG  40 -12.629  10.358  -5.508
  741    HB2  ARG  40           HB2      ARG  40 -14.551   9.799  -7.764
  742    HB3  ARG  40           HB1      ARG  40 -12.869  10.244  -8.022
  743    HG2  ARG  40           HG2      ARG  40 -12.152   8.269  -6.783
  744    HG3  ARG  40           HG1      ARG  40 -13.838   7.826  -6.513
  745    HD2  ARG  40           HD2      ARG  40 -14.176   7.632  -8.925
  746    HD3  ARG  40           HD1      ARG  40 -12.497   8.091  -9.201
  747    HE   ARG  40           HE       ARG  40 -12.473   5.883  -7.520
  748   HH11  ARG  40          HH11      ARG  40 -13.485   6.658 -10.763
  749   HH12  ARG  40          HH12      ARG  40 -13.204   5.061 -11.370
  750   HH21  ARG  40          HH21      ARG  40 -12.099   3.777  -8.312
  751   HH22  ARG  40          HH22      ARG  40 -12.417   3.423  -9.977
  752    H    GLN  41           HN       GLN  41 -15.700  11.799  -6.358
  753    HA   GLN  41           HA       GLN  41 -14.777  14.159  -7.557
  754    HB2  GLN  41           HB2      GLN  41 -17.276  13.757  -5.895
  755    HB3  GLN  41           HB1      GLN  41 -16.965  15.158  -6.909
  756    HG2  GLN  41           HG2      GLN  41 -16.894  13.703  -8.879
  757    HG3  GLN  41           HG1      GLN  41 -17.244  12.315  -7.850
  758   HE21  GLN  41          HE21      GLN  41 -18.506  15.218  -9.283
  759   HE22  GLN  41          HE22      GLN  41 -20.175  14.884  -8.984
  760    H    GLN  42           HN       GLN  42 -15.681  13.538  -4.169
  761    HA   GLN  42           HA       GLN  42 -14.902  16.053  -3.165
  762    HB2  GLN  42           HB2      GLN  42 -16.337  14.505  -1.910
  763    HB3  GLN  42           HB1      GLN  42 -14.995  13.380  -1.750
  764    HG2  GLN  42           HG2      GLN  42 -13.768  15.022  -0.426
  765    HG3  GLN  42           HG1      GLN  42 -15.107  16.157  -0.593
  766   HE21  GLN  42          HE21      GLN  42 -13.921  14.987   1.807
  767   HE22  GLN  42          HE22      GLN  42 -15.210  14.187   2.634
  768    H    GLN  43           HN       GLN  43 -13.122  13.239  -4.039
  769    HA   GLN  43           HA       GLN  43 -10.721  13.926  -2.605
  770    HB2  GLN  43           HB2      GLN  43 -11.217  11.597  -3.016
  771    HB3  GLN  43           HB1      GLN  43 -11.323  11.880  -4.747
  772    HG2  GLN  43           HG2      GLN  43  -8.905  12.518  -4.697
  773    HG3  GLN  43           HG1      GLN  43  -8.868  11.971  -3.021
  774   HE21  GLN  43          HE21      GLN  43  -9.208  11.007  -6.348
  775   HE22  GLN  43          HE22      GLN  43  -8.943   9.318  -6.095
  776    H    GLN  44           HN       GLN  44 -12.016  14.369  -5.823
  777    HA   GLN  44           HA       GLN  44  -9.598  15.214  -7.061
  778    HB2  GLN  44           HB2      GLN  44 -11.654  14.380  -8.265
  779    HB3  GLN  44           HB1      GLN  44 -12.417  15.914  -7.884
  780    HG2  GLN  44           HG2      GLN  44 -11.485  15.813 -10.166
  781    HG3  GLN  44           HG1      GLN  44 -10.830  17.119  -9.186
  782   HE21  GLN  44          HE21      GLN  44  -9.860  13.753  -8.890
  783   HE22  GLN  44          HE22      GLN  44  -8.255  13.976  -9.479
  784    H    LEU  45           HN       LEU  45 -11.927  16.686  -5.020
  785    HA   LEU  45           HA       LEU  45 -11.716  19.377  -5.650
  786    HB2  LEU  45           HB2      LEU  45 -13.311  18.968  -4.053
  787    HB3  LEU  45           HB1      LEU  45 -12.310  17.819  -3.190
  788    HG   LEU  45           HG       LEU  45 -10.921  19.938  -2.537
  789   HD11  LEU  45          HD11      LEU  45 -13.596  21.113  -3.264
  790   HD12  LEU  45          HD12      LEU  45 -12.021  21.543  -3.932
  791   HD13  LEU  45          HD13      LEU  45 -12.397  21.915  -2.249
  792   HD21  LEU  45          HD21      LEU  45 -12.492  20.285  -0.592
  793   HD22  LEU  45          HD22      LEU  45 -11.949  18.630  -0.868
  794   HD23  LEU  45          HD23      LEU  45 -13.568  19.124  -1.370
  795    H    LEU  46           HN       LEU  46  -9.713  17.489  -3.389
  796    HA   LEU  46           HA       LEU  46  -7.758  19.678  -3.421
  797    HB2  LEU  46           HB2      LEU  46  -8.812  18.024  -1.320
  798    HB3  LEU  46           HB1      LEU  46  -7.070  17.845  -1.407
  799    HG   LEU  46           HG       LEU  46  -7.713  19.579   0.190
  800   HD11  LEU  46          HD11      LEU  46  -6.301  21.388  -0.667
  801   HD12  LEU  46          HD12      LEU  46  -6.366  20.669  -2.276
  802   HD13  LEU  46          HD13      LEU  46  -5.584  19.802  -0.954
  803   HD21  LEU  46          HD21      LEU  46  -8.926  20.972  -2.193
  804   HD22  LEU  46          HD22      LEU  46  -8.733  21.665  -0.583
  805   HD23  LEU  46          HD23      LEU  46  -9.806  20.287  -0.826
  806    H    GLN  47           HN       GLN  47  -7.491  16.175  -2.789
  807    HA   GLN  47           HA       GLN  47  -5.962  14.633  -3.486
  808    HB2  GLN  47           HB2      GLN  47  -7.092  15.598  -5.729
  809    HB3  GLN  47           HB1      GLN  47  -5.427  16.079  -6.026
  810    HG2  GLN  47           HG2      GLN  47  -6.356  13.281  -5.430
  811    HG3  GLN  47           HG1      GLN  47  -5.967  13.914  -7.027
  812   HE21  GLN  47          HE21      GLN  47  -4.708  12.863  -3.969
  813   HE22  GLN  47          HE22      GLN  47  -3.053  12.758  -4.455
  814    H    ARG  48           HN       ARG  48  -5.076  16.997  -2.040
  815    HA   ARG  48           HA       ARG  48  -2.240  16.811  -2.690
  816    HB2  ARG  48           HB2      ARG  48  -3.719  19.425  -2.372
  817    HB3  ARG  48           HB1      ARG  48  -1.968  19.274  -2.376
  818    HG2  ARG  48           HG2      ARG  48  -2.075  18.359  -4.652
  819    HG3  ARG  48           HG1      ARG  48  -3.824  18.591  -4.640
  820    HD2  ARG  48           HD2      ARG  48  -3.494  20.998  -4.308
  821    HD3  ARG  48           HD1      ARG  48  -1.748  20.759  -4.339
  822    HE   ARG  48           HE       ARG  48  -2.915  19.715  -6.690
  823   HH11  ARG  48          HH11      ARG  48  -2.131  22.738  -5.142
  824   HH12  ARG  48          HH12      ARG  48  -1.961  23.604  -6.632
  825   HH21  ARG  48          HH21      ARG  48  -2.695  20.848  -8.655
  826   HH22  ARG  48          HH22      ARG  48  -2.284  22.531  -8.629
  827    H    ASP   1           HT1      ASP   1   4.338  16.546 -16.175
  828    HA   ASP   1           HA       ASP   1   5.688  16.000 -14.259
  829    HB2  ASP   1           HB2      ASP   1   3.872  16.097 -12.560
  830    HB3  ASP   1           HB1      ASP   1   3.651  17.251 -13.872
  831    H    GLU   2           HN       GLU   2   6.365  14.566 -12.715
  832    HA   GLU   2           HA       GLU   2   5.107  12.061 -12.210
  833    HB2  GLU   2           HB2      GLU   2   6.865  10.607 -13.142
  834    HB3  GLU   2           HB1      GLU   2   6.022  11.501 -14.400
  835    HG2  GLU   2           HG2      GLU   2   7.878  13.101 -14.490
  836    HG3  GLU   2           HG1      GLU   2   8.725  12.169 -13.256
  837    H    ASP   3           HN       ASP   3   6.999  14.548 -11.369
  838    HA   ASP   3           HA       ASP   3   8.971  13.255  -9.759
  839    HB2  ASP   3           HB2      ASP   3   7.916  16.084  -9.569
  840    HB3  ASP   3           HB1      ASP   3   9.399  15.478  -8.839
  841    H    THR   4           HN       THR   4   8.209  15.235  -7.459
  842    HA   THR   4           HA       THR   4   6.861  13.235  -5.941
  843    HB   THR   4           HB       THR   4   6.902  15.892  -4.743
  844    HG1  THR   4           HG1      THR   4   9.144  16.012  -4.596
  845   HG21  THR   4          HG21      THR   4   7.914  13.163  -3.969
  846   HG22  THR   4          HG22      THR   4   6.450  13.966  -3.392
  847   HG23  THR   4          HG23      THR   4   8.036  14.585  -2.931
  848    H    TYR   5           HN       TYR   5   4.913  13.268  -5.045
  849    HA   TYR   5           HA       TYR   5   2.883  14.999  -6.291
  850    HB2  TYR   5           HB2      TYR   5   2.959  12.045  -5.886
  851    HB3  TYR   5           HB1      TYR   5   1.445  12.921  -6.090
  852    HD1  TYR   5           HD2      TYR   5   1.157  14.332  -8.184
  853    HD2  TYR   5           HD1      TYR   5   4.243  11.438  -7.748
  854    HE1  TYR   5           HE2      TYR   5   1.433  14.269 -10.624
  855    HE2  TYR   5           HE1      TYR   5   4.527  11.363 -10.187
  856    HH   TYR   5           HH       TYR   5   3.490  11.931 -12.184
  857    H    TYR   6           HN       TYR   6   0.881  15.132  -4.938
  858    HA   TYR   6           HA       TYR   6   1.458  14.533  -2.117
  859    HB2  TYR   6           HB2      TYR   6  -0.490  16.651  -3.048
  860    HB3  TYR   6           HB1      TYR   6   0.201  16.448  -1.444
  861    HD1  TYR   6           HD2      TYR   6   3.077  16.051  -2.223
  862    HD2  TYR   6           HD1      TYR   6   0.179  18.858  -3.571
  863    HE1  TYR   6           HE2      TYR   6   4.877  17.619  -2.779
  864    HE2  TYR   6           HE1      TYR   6   1.974  20.441  -4.140
  865    HH   TYR   6           HH       TYR   6   4.310  20.888  -3.495
  866    H    LEU   7           HN       LEU   7   0.214  13.237  -1.060
  867    HA   LEU   7           HA       LEU   7  -2.229  12.200  -2.367
  868    HB2  LEU   7           HB2      LEU   7   0.109  10.955  -1.487
  869    HB3  LEU   7           HB1      LEU   7  -1.052  10.618  -0.237
  870    HG   LEU   7           HG       LEU   7  -2.069   9.038  -1.443
  871   HD11  LEU   7          HD11      LEU   7  -3.303   9.860  -3.106
  872   HD12  LEU   7          HD12      LEU   7  -1.961   9.339  -4.131
  873   HD13  LEU   7          HD13      LEU   7  -2.066  11.017  -3.589
  874   HD21  LEU   7          HD21      LEU   7  -0.589   7.936  -3.050
  875   HD22  LEU   7          HD22      LEU   7   0.256   8.446  -1.588
  876   HD23  LEU   7          HD23      LEU   7   0.427   9.377  -3.076
  877    H    GLN   8           HN       GLN   8  -4.007  13.062  -1.352
  878    HA   GLN   8           HA       GLN   8  -3.766  13.823   1.415
  879    HB2  GLN   8           HB2      GLN   8  -5.061  14.990  -0.615
  880    HB3  GLN   8           HB1      GLN   8  -6.362  13.993   0.002
  881    HG2  GLN   8           HG2      GLN   8  -5.641  15.067   2.284
  882    HG3  GLN   8           HG1      GLN   8  -5.030  16.328   1.213
  883   HE21  GLN   8          HE21      GLN   8  -6.484  17.879   1.659
  884   HE22  GLN   8          HE22      GLN   8  -8.176  17.760   1.320
  885    H    VAL   9           HN       VAL   9  -4.113  12.435   2.963
  886    HA   VAL   9           HA       VAL   9  -5.989  10.259   2.445
  887    HB   VAL   9           HB       VAL   9  -3.348  10.129   3.897
  888   HG11  VAL   9          HG11      VAL   9  -5.503   8.040   3.737
  889   HG12  VAL   9          HG12      VAL   9  -4.906   8.854   5.183
  890   HG13  VAL   9          HG13      VAL   9  -3.857   7.748   4.297
  891   HG21  VAL   9          HG21      VAL   9  -4.321   8.546   1.532
  892   HG22  VAL   9          HG22      VAL   9  -2.694   8.566   2.212
  893   HG23  VAL   9          HG23      VAL   9  -3.335  10.002   1.414
  894    H    ARG  10           HN       ARG  10  -7.583  10.007   3.872
  895    HA   ARG  10           HA       ARG  10  -7.502  11.735   6.244
  896    HB2  ARG  10           HB2      ARG  10  -9.427  11.713   4.459
  897    HB3  ARG  10           HB1      ARG  10  -9.965  10.284   5.331
  898    HG2  ARG  10           HG2      ARG  10  -9.408  12.827   6.798
  899    HG3  ARG  10           HG1      ARG  10 -10.940  12.590   5.955
  900    HD2  ARG  10           HD2      ARG  10 -11.319  10.540   7.248
  901    HD3  ARG  10           HD1      ARG  10  -9.799  10.801   8.099
  902    HE   ARG  10           HE       ARG  10 -11.319  13.096   8.434
  903   HH11  ARG  10          HH11      ARG  10 -11.518   9.718   9.266
  904   HH12  ARG  10          HH12      ARG  10 -12.440   9.995  10.706
  905   HH21  ARG  10          HH21      ARG  10 -12.532  13.469  10.329
  906   HH22  ARG  10          HH22      ARG  10 -13.015  12.126  11.310
  907    H    GLY  11           HN       GLY  11  -7.695  10.994   8.281
  908    HA2  GLY  11           HA2      GLY  11  -8.105   9.397   9.960
  909    HA3  GLY  11           HA1      GLY  11  -8.258   8.163   8.717
  910    H    ARG  12           HN       ARG  12  -6.458   8.962  11.247
  911    HA   ARG  12           HA       ARG  12  -3.810   8.957  10.485
  912    HB2  ARG  12           HB2      ARG  12  -4.920   9.203  12.819
  913    HB3  ARG  12           HB1      ARG  12  -4.703   7.460  12.921
  914    HG2  ARG  12           HG2      ARG  12  -2.837   8.433  13.979
  915    HG3  ARG  12           HG1      ARG  12  -2.270   7.847  12.414
  916    HD2  ARG  12           HD2      ARG  12  -2.536  10.132  11.511
  917    HD3  ARG  12           HD1      ARG  12  -2.989  10.687  13.122
  918    HE   ARG  12           HE       ARG  12  -0.373   9.425  12.658
  919   HH11  ARG  12          HH11      ARG  12  -2.297  12.144  13.682
  920   HH12  ARG  12          HH12      ARG  12  -0.950  13.016  14.333
  921   HH21  ARG  12          HH21      ARG  12   1.405  10.565  13.513
  922   HH22  ARG  12          HH22      ARG  12   1.155  12.119  14.236
  923    H    GLU  13           HN       GLU  13  -5.804   6.140  11.223
  924    HA   GLU  13           HA       GLU  13  -3.902   4.155  10.981
  925    HB2  GLU  13           HB2      GLU  13  -6.222   3.773  11.746
  926    HB3  GLU  13           HB1      GLU  13  -6.785   3.954  10.091
  927    HG2  GLU  13           HG2      GLU  13  -5.674   1.970   9.409
  928    HG3  GLU  13           HG1      GLU  13  -4.815   1.852  10.944
  929    H    ASN  14           HN       ASN  14  -5.860   5.566   8.367
  930    HA   ASN  14           HA       ASN  14  -4.766   3.923   6.299
  931    HB2  ASN  14           HB2      ASN  14  -6.147   6.598   6.075
  932    HB3  ASN  14           HB1      ASN  14  -5.914   5.420   4.789
  933   HD21  ASN  14          HD21      ASN  14  -8.375   6.556   5.796
  934   HD22  ASN  14          HD22      ASN  14  -9.340   5.231   6.340
  935    H    PHE  15           HN       PHE  15  -4.035   7.199   7.506
  936    HA   PHE  15           HA       PHE  15  -2.159   7.814   5.515
  937    HB2  PHE  15           HB2      PHE  15  -3.206   9.512   6.964
  938    HB3  PHE  15           HB1      PHE  15  -2.374   8.842   8.361
  939    HD1  PHE  15           HD2      PHE  15  -1.277   9.809   4.920
  940    HD2  PHE  15           HD1      PHE  15  -0.783  10.291   9.127
  941    HE1  PHE  15           HE2      PHE  15   0.593  11.342   4.520
  942    HE2  PHE  15           HE1      PHE  15   1.114  11.821   8.718
  943    HZ   PHE  15           HZ       PHE  15   1.794  12.343   6.410
  944    H    GLU  16           HN       GLU  16  -1.650   6.545   8.817
  945    HA   GLU  16           HA       GLU  16   1.106   6.329   8.684
  946    HB2  GLU  16           HB2      GLU  16  -0.875   4.595  10.165
  947    HB3  GLU  16           HB1      GLU  16   0.864   4.525  10.416
  948    HG2  GLU  16           HG2      GLU  16  -0.875   6.942  10.861
  949    HG3  GLU  16           HG1      GLU  16  -0.256   5.870  12.116
  950    H    ILE  17           HN       ILE  17  -1.335   4.140   7.448
  951    HA   ILE  17           HA       ILE  17   0.468   1.969   6.892
  952    HB   ILE  17           HB       ILE  17  -2.379   2.519   6.463
  953   HG12  ILE  17          HG12      ILE  17  -0.950  -0.092   6.836
  954   HG13  ILE  17          HG11      ILE  17  -1.256   1.008   8.172
  955   HG21  ILE  17          HG21      ILE  17  -0.928   0.726   4.523
  956   HG22  ILE  17          HG22      ILE  17  -1.835   2.187   4.127
  957   HG23  ILE  17          HG23      ILE  17  -2.681   0.766   4.757
  958   HD11  ILE  17          HD11      ILE  17  -2.961  -0.600   8.200
  959   HD12  ILE  17          HD12      ILE  17  -3.210  -0.468   6.457
  960   HD13  ILE  17          HD13      ILE  17  -3.688   0.859   7.523
  961    H    LEU  18           HN       LEU  18  -0.844   4.702   5.076
  962    HA   LEU  18           HA       LEU  18   0.379   3.975   2.557
  963    HB2  LEU  18           HB2      LEU  18  -1.212   6.262   3.632
  964    HB3  LEU  18           HB1      LEU  18  -0.318   6.437   2.135
  965    HG   LEU  18           HG       LEU  18  -2.142   4.099   2.393
  966   HD11  LEU  18          HD11      LEU  18  -3.339   6.189   3.226
  967   HD12  LEU  18          HD12      LEU  18  -4.081   5.316   1.886
  968   HD13  LEU  18          HD13      LEU  18  -3.174   6.793   1.578
  969   HD21  LEU  18          HD21      LEU  18  -0.817   4.266   0.410
  970   HD22  LEU  18          HD22      LEU  18  -1.286   5.950   0.175
  971   HD23  LEU  18          HD23      LEU  18  -2.482   4.667  -0.014
  972    H    MET  19           HN       MET  19   1.206   5.895   5.381
  973    HA   MET  19           HA       MET  19   3.262   7.358   4.056
  974    HB2  MET  19           HB2      MET  19   1.924   7.825   6.365
  975    HB3  MET  19           HB1      MET  19   3.339   7.028   7.029
  976    HG2  MET  19           HG2      MET  19   3.239   9.577   5.450
  977    HG3  MET  19           HG1      MET  19   3.690   9.365   7.135
  978    HE1  MET  19           HE1      MET  19   6.872  10.531   5.060
  979    HE2  MET  19           HE2      MET  19   5.965  10.885   6.528
  980    HE3  MET  19           HE3      MET  19   5.172  10.984   4.954
  981    H    LYS  20           HN       LYS  20   3.242   4.448   6.149
  982    HA   LYS  20           HA       LYS  20   6.056   4.144   6.132
  983    HB2  LYS  20           HB2      LYS  20   4.959   2.705   7.639
  984    HB3  LYS  20           HB1      LYS  20   3.763   2.221   6.444
  985    HG2  LYS  20           HG2      LYS  20   5.046   0.332   6.447
  986    HG3  LYS  20           HG1      LYS  20   5.925   1.241   5.234
  987    HD2  LYS  20           HD2      LYS  20   7.665   1.659   6.617
  988    HD3  LYS  20           HD1      LYS  20   6.666   1.593   8.068
  989    HE2  LYS  20           HE2      LYS  20   6.553  -0.805   7.938
  990    HE3  LYS  20           HE1      LYS  20   7.408  -0.796   6.398
  991    HZ1  LYS  20           HZ1      LYS  20   8.530   0.084   9.002
  992    HZ2  LYS  20           HZ2      LYS  20   9.353   0.096   7.524
  993    HZ3  LYS  20           HZ3      LYS  20   8.882  -1.373   8.217
  994    H    LEU  21           HN       LEU  21   3.499   3.622   3.919
  995    HA   LEU  21           HA       LEU  21   4.983   1.935   2.147
  996    HB2  LEU  21           HB2      LEU  21   2.401   2.189   2.481
  997    HB3  LEU  21           HB1      LEU  21   2.563   3.474   1.307
  998    HG   LEU  21           HG       LEU  21   2.891   0.535   0.958
  999   HD11  LEU  21          HD11      LEU  21   1.354   0.769  -0.740
 1000   HD12  LEU  21          HD12      LEU  21   1.726   2.474  -0.981
 1001   HD13  LEU  21          HD13      LEU  21   0.817   1.963   0.440
 1002   HD21  LEU  21          HD21      LEU  21   4.168   2.616  -0.804
 1003   HD22  LEU  21          HD22      LEU  21   3.931   0.926  -1.251
 1004   HD23  LEU  21          HD23      LEU  21   4.986   1.341   0.099
 1005    H    LYS  22           HN       LYS  22   4.201   5.400   2.259
 1006    HA   LYS  22           HA       LYS  22   5.218   6.094  -0.260
 1007    HB2  LYS  22           HB2      LYS  22   3.889   7.678   0.998
 1008    HB3  LYS  22           HB1      LYS  22   5.040   7.661   2.326
 1009    HG2  LYS  22           HG2      LYS  22   6.374   8.404  -0.098
 1010    HG3  LYS  22           HG1      LYS  22   4.951   9.417   0.143
 1011    HD2  LYS  22           HD2      LYS  22   6.626   8.959   2.527
 1012    HD3  LYS  22           HD1      LYS  22   7.358   9.925   1.245
 1013    HE2  LYS  22           HE2      LYS  22   5.178  11.269   1.269
 1014    HE3  LYS  22           HE1      LYS  22   4.849  10.467   2.803
 1015    HZ1  LYS  22           HZ1      LYS  22   6.982  11.342   3.622
 1016    HZ2  LYS  22           HZ2      LYS  22   5.893  12.567   3.208
 1017    HZ3  LYS  22           HZ3      LYS  22   7.178  12.193   2.174
 1018    H    GLU  23           HN       GLU  23   6.664   5.699   2.892
 1019    HA   GLU  23           HA       GLU  23   9.284   6.561   2.203
 1020    HB2  GLU  23           HB2      GLU  23   8.745   6.548   4.508
 1021    HB3  GLU  23           HB1      GLU  23   8.116   4.910   4.437
 1022    HG2  GLU  23           HG2      GLU  23  10.323   4.011   4.202
 1023    HG3  GLU  23           HG1      GLU  23  11.013   5.628   4.074
 1024    H    SER  24           HN       SER  24   7.801   3.295   2.381
 1025    HA   SER  24           HA       SER  24  10.059   1.894   1.620
 1026    HB2  SER  24           HB2      SER  24   7.244   1.147   0.888
 1027    HB3  SER  24           HB1      SER  24   8.618   0.069   1.108
 1028    HG   SER  24           HG       SER  24   6.918   0.635   2.917
 1029    H    LEU  25           HN       LEU  25   7.508   3.244  -0.497
 1030    HA   LEU  25           HA       LEU  25   8.563   2.164  -2.937
 1031    HB2  LEU  25           HB2      LEU  25   6.575   4.308  -2.268
 1032    HB3  LEU  25           HB1      LEU  25   7.129   4.070  -3.912
 1033    HG   LEU  25           HG       LEU  25   5.866   1.860  -2.302
 1034   HD11  LEU  25          HD11      LEU  25   3.818   2.380  -3.641
 1035   HD12  LEU  25          HD12      LEU  25   4.581   3.902  -4.100
 1036   HD13  LEU  25          HD13      LEU  25   4.217   3.572  -2.406
 1037   HD21  LEU  25          HD21      LEU  25   6.162   2.249  -5.279
 1038   HD22  LEU  25          HD22      LEU  25   5.501   0.834  -4.448
 1039   HD23  LEU  25          HD23      LEU  25   7.214   1.233  -4.282
 1040    H    GLU  26           HN       GLU  26   8.842   5.311  -1.356
 1041    HA   GLU  26           HA       GLU  26  10.386   6.386  -3.478
 1042    HB2  GLU  26           HB2      GLU  26   9.936   7.289  -0.643
 1043    HB3  GLU  26           HB1      GLU  26  11.079   8.128  -1.684
 1044    HG2  GLU  26           HG2      GLU  26   9.171   8.366  -3.337
 1045    HG3  GLU  26           HG1      GLU  26   8.113   7.844  -2.028
 1046    H    LEU  27           HN       LEU  27  11.249   4.733  -0.476
 1047    HA   LEU  27           HA       LEU  27  14.053   5.183  -0.699
 1048    HB2  LEU  27           HB2      LEU  27  12.356   3.214   0.787
 1049    HB3  LEU  27           HB1      LEU  27  14.101   3.081   0.772
 1050    HG   LEU  27           HG       LEU  27  12.697   5.565   1.716
 1051   HD11  LEU  27          HD11      LEU  27  13.615   3.207   3.357
 1052   HD12  LEU  27          HD12      LEU  27  11.935   3.630   3.029
 1053   HD13  LEU  27          HD13      LEU  27  12.949   4.718   3.977
 1054   HD21  LEU  27          HD21      LEU  27  15.075   5.762   1.128
 1055   HD22  LEU  27          HD22      LEU  27  15.448   4.434   2.231
 1056   HD23  LEU  27          HD23      LEU  27  14.812   5.956   2.862
 1057    H    MET  28           HN       MET  28  11.917   3.050  -2.424
 1058    HA   MET  28           HA       MET  28  13.818   1.015  -2.807
 1059    HB2  MET  28           HB2      MET  28  11.225   1.687  -4.066
 1060    HB3  MET  28           HB1      MET  28  12.327   0.798  -5.107
 1061    HG2  MET  28           HG2      MET  28  10.654  -0.536  -3.733
 1062    HG3  MET  28           HG1      MET  28  12.331  -1.068  -3.711
 1063    HE1  MET  28           HE1      MET  28  14.014   0.034  -1.383
 1064    HE2  MET  28           HE2      MET  28  13.552  -1.539  -2.029
 1065    HE3  MET  28           HE3      MET  28  13.343  -1.194  -0.312
 1066    H    GLU  29           HN       GLU  29  13.882   4.148  -3.870
 1067    HA   GLU  29           HA       GLU  29  15.378   3.616  -6.308
 1068    HB2  GLU  29           HB2      GLU  29  15.210   5.899  -6.734
 1069    HB3  GLU  29           HB1      GLU  29  13.685   5.519  -5.945
 1070    HG2  GLU  29           HG2      GLU  29  14.688   6.317  -3.802
 1071    HG3  GLU  29           HG1      GLU  29  16.087   6.855  -4.726
 1072    H    LEU  30           HN       LEU  30  15.974   4.038  -2.947
 1073    HA   LEU  30           HA       LEU  30  18.671   5.054  -3.443
 1074    HB2  LEU  30           HB2      LEU  30  18.510   6.178  -1.537
 1075    HB3  LEU  30           HB1      LEU  30  16.802   5.815  -1.620
 1076    HG   LEU  30           HG       LEU  30  18.809   4.177  -0.090
 1077   HD11  LEU  30          HD11      LEU  30  17.850   5.242   1.901
 1078   HD12  LEU  30          HD12      LEU  30  16.874   6.281   0.861
 1079   HD13  LEU  30          HD13      LEU  30  18.632   6.414   0.841
 1080   HD21  LEU  30          HD21      LEU  30  15.812   4.120  -0.241
 1081   HD22  LEU  30          HD22      LEU  30  16.727   3.348   1.048
 1082   HD23  LEU  30          HD23      LEU  30  16.938   2.817  -0.620
 1083    H    VAL  31           HN       VAL  31  17.243   2.158  -3.254
 1084    HA   VAL  31           HA       VAL  31  19.476   0.908  -1.819
 1085    HB   VAL  31           HB       VAL  31  17.444   0.002  -1.007
 1086   HG11  VAL  31          HG11      VAL  31  15.953   0.741  -2.783
 1087   HG12  VAL  31          HG12      VAL  31  15.716  -0.971  -2.428
 1088   HG13  VAL  31          HG13      VAL  31  16.618  -0.483  -3.865
 1089   HG21  VAL  31          HG21      VAL  31  18.822  -1.809  -1.093
 1090   HG22  VAL  31          HG22      VAL  31  19.011  -1.728  -2.842
 1091   HG23  VAL  31          HG23      VAL  31  17.532  -2.384  -2.148
 1092    HA   PRO  32           HA       PRO  32  21.607   0.317  -5.676
 1093    HB2  PRO  32           HB2      PRO  32  22.345  -2.235  -4.273
 1094    HB3  PRO  32           HB1      PRO  32  23.374  -1.127  -5.190
 1095    HG2  PRO  32           HG2      PRO  32  23.336  -1.089  -2.514
 1096    HG3  PRO  32           HG1      PRO  32  23.506   0.400  -3.461
 1097    HD2  PRO  32           HD2      PRO  32  21.199  -0.580  -1.892
 1098    HD3  PRO  32           HD1      PRO  32  21.623   1.079  -2.362
 1099    H    GLN  33           HN       GLN  33  20.677  -0.375  -7.487
 1100    HA   GLN  33           HA       GLN  33  18.441  -1.960  -7.658
 1101    HB2  GLN  33           HB2      GLN  33  19.058  -0.451  -9.430
 1102    HB3  GLN  33           HB1      GLN  33  20.510  -1.379  -9.774
 1103    HG2  GLN  33           HG2      GLN  33  18.853  -1.864 -11.432
 1104    HG3  GLN  33           HG1      GLN  33  19.097  -3.291 -10.424
 1105   HE21  GLN  33          HE21      GLN  33  17.092  -4.139 -10.954
 1106   HE22  GLN  33          HE22      GLN  33  15.618  -3.482 -10.338
 1107    HA   PRO  34           HA       PRO  34  21.234  -5.685  -9.091
 1108    HB2  PRO  34           HB2      PRO  34  23.624  -5.227  -7.390
 1109    HB3  PRO  34           HB1      PRO  34  23.524  -5.820  -9.051
 1110    HG2  PRO  34           HG2      PRO  34  24.371  -3.342  -8.518
 1111    HG3  PRO  34           HG1      PRO  34  23.377  -3.690  -9.945
 1112    HD2  PRO  34           HD2      PRO  34  22.589  -2.449  -7.339
 1113    HD3  PRO  34           HD1      PRO  34  22.065  -2.045  -8.986
 1114    H    LEU  35           HN       LEU  35  21.240  -4.246  -5.907
 1115    HA   LEU  35           HA       LEU  35  21.318  -6.746  -4.484
 1116    HB2  LEU  35           HB2      LEU  35  22.349  -4.828  -3.468
 1117    HB3  LEU  35           HB1      LEU  35  20.893  -3.874  -3.659
 1118    HG   LEU  35           HG       LEU  35  19.770  -5.365  -2.027
 1119   HD11  LEU  35          HD11      LEU  35  21.155  -7.343  -2.286
 1120   HD12  LEU  35          HD12      LEU  35  21.122  -6.805  -0.606
 1121   HD13  LEU  35          HD13      LEU  35  22.533  -6.473  -1.611
 1122   HD21  LEU  35          HD21      LEU  35  20.692  -3.226  -1.341
 1123   HD22  LEU  35          HD22      LEU  35  22.260  -3.981  -1.060
 1124   HD23  LEU  35          HD23      LEU  35  20.877  -4.425  -0.060
 1125    H    VAL  36           HN       VAL  36  18.912  -4.519  -5.684
 1126    HA   VAL  36           HA       VAL  36  16.715  -5.575  -4.174
 1127    HB   VAL  36           HB       VAL  36  16.839  -3.919  -6.698
 1128   HG11  VAL  36          HG11      VAL  36  14.393  -4.929  -5.251
 1129   HG12  VAL  36          HG12      VAL  36  14.869  -5.292  -6.910
 1130   HG13  VAL  36          HG13      VAL  36  14.381  -3.655  -6.470
 1131   HG21  VAL  36          HG21      VAL  36  15.904  -3.306  -3.895
 1132   HG22  VAL  36          HG22      VAL  36  15.880  -2.185  -5.256
 1133   HG23  VAL  36          HG23      VAL  36  17.419  -2.773  -4.627
 1134    H    ASP  37           HN       ASP  37  18.061  -6.120  -7.396
 1135    HA   ASP  37           HA       ASP  37  16.220  -7.995  -8.340
 1136    HB2  ASP  37           HB2      ASP  37  19.183  -7.712  -8.875
 1137    HB3  ASP  37           HB1      ASP  37  18.132  -8.814  -9.760
 1138    H    SER  38           HN       SER  38  19.159  -8.427  -6.344
 1139    HA   SER  38           HA       SER  38  19.124 -11.204  -6.294
 1140    HB2  SER  38           HB2      SER  38  20.996  -9.864  -5.417
 1141    HB3  SER  38           HB1      SER  38  19.987  -9.331  -4.072
 1142    HG   SER  38           HG       SER  38  20.069 -11.313  -3.200
 1143    H    TYR  39           HN       TYR  39  17.503  -8.857  -4.194
 1144    HA   TYR  39           HA       TYR  39  16.319 -10.632  -2.391
 1145    HB2  TYR  39           HB2      TYR  39  16.151  -8.439  -1.699
 1146    HB3  TYR  39           HB1      TYR  39  15.749  -7.850  -3.309
 1147    HD1  TYR  39           HD2      TYR  39  14.377  -9.683  -0.390
 1148    HD2  TYR  39           HD1      TYR  39  13.510  -7.522  -3.949
 1149    HE1  TYR  39           HE2      TYR  39  11.998  -9.645   0.219
 1150    HE2  TYR  39           HE1      TYR  39  11.133  -7.485  -3.358
 1151    HH   TYR  39           HH       TYR  39   9.553  -8.701  -1.973
 1152    H    ARG  40           HN       ARG  40  15.159  -9.296  -5.456
 1153    HA   ARG  40           HA       ARG  40  12.625 -10.364  -5.505
 1154    HB2  ARG  40           HB2      ARG  40  14.548  -9.804  -7.759
 1155    HB3  ARG  40           HB1      ARG  40  12.866 -10.249  -8.018
 1156    HG2  ARG  40           HG2      ARG  40  12.148  -8.273  -6.779
 1157    HG3  ARG  40           HG1      ARG  40  13.835  -7.831  -6.509
 1158    HD2  ARG  40           HD2      ARG  40  14.173  -7.638  -8.921
 1159    HD3  ARG  40           HD1      ARG  40  12.493  -8.096  -9.197
 1160    HE   ARG  40           HE       ARG  40  12.472  -5.887  -7.516
 1161   HH11  ARG  40          HH11      ARG  40  13.483  -6.665 -10.759
 1162   HH12  ARG  40          HH12      ARG  40  13.203  -5.067 -11.367
 1163   HH21  ARG  40          HH21      ARG  40  12.098  -3.782  -8.308
 1164   HH22  ARG  40          HH22      ARG  40  12.417  -3.429  -9.974
 1165    H    GLN  41           HN       GLN  41  15.696 -11.805  -6.353
 1166    HA   GLN  41           HA       GLN  41  14.772 -14.164  -7.553
 1167    HB2  GLN  41           HB2      GLN  41  17.271 -13.765  -5.891
 1168    HB3  GLN  41           HB1      GLN  41  16.959 -15.165  -6.906
 1169    HG2  GLN  41           HG2      GLN  41  16.888 -13.709  -8.875
 1170    HG3  GLN  41           HG1      GLN  41  17.240 -12.322  -7.846
 1171   HE21  GLN  41          HE21      GLN  41  18.500 -15.225  -9.279
 1172   HE22  GLN  41          HE22      GLN  41  20.168 -14.892  -8.980
 1173    H    GLN  42           HN       GLN  42  15.677 -13.544  -4.165
 1174    HA   GLN  42           HA       GLN  42  14.897 -16.059  -3.161
 1175    HB2  GLN  42           HB2      GLN  42  16.332 -14.510  -1.905
 1176    HB3  GLN  42           HB1      GLN  42  14.991 -13.385  -1.746
 1177    HG2  GLN  42           HG2      GLN  42  13.764 -15.026  -0.421
 1178    HG3  GLN  42           HG1      GLN  42  15.101 -16.162  -0.588
 1179   HE21  GLN  42          HE21      GLN  42  13.917 -14.991   1.812
 1180   HE22  GLN  42          HE22      GLN  42  15.206 -14.192   2.639
 1181    H    GLN  43           HN       GLN  43  13.118 -13.245  -4.036
 1182    HA   GLN  43           HA       GLN  43  10.717 -13.931  -2.601
 1183    HB2  GLN  43           HB2      GLN  43  11.213 -11.602  -3.011
 1184    HB3  GLN  43           HB1      GLN  43  11.319 -11.884  -4.742
 1185    HG2  GLN  43           HG2      GLN  43   8.900 -12.520  -4.692
 1186    HG3  GLN  43           HG1      GLN  43   8.863 -11.973  -3.016
 1187   HE21  GLN  43          HE21      GLN  43   9.205 -11.010  -6.342
 1188   HE22  GLN  43          HE22      GLN  43   8.939  -9.322  -6.091
 1189    H    GLN  44           HN       GLN  44  12.011 -14.374  -5.819
 1190    HA   GLN  44           HA       GLN  44   9.593 -15.218  -7.057
 1191    HB2  GLN  44           HB2      GLN  44  11.649 -14.384  -8.261
 1192    HB3  GLN  44           HB1      GLN  44  12.411 -15.919  -7.880
 1193    HG2  GLN  44           HG2      GLN  44  11.480 -15.819 -10.162
 1194    HG3  GLN  44           HG1      GLN  44  10.823 -17.124  -9.181
 1195   HE21  GLN  44          HE21      GLN  44   9.858 -13.757  -8.886
 1196   HE22  GLN  44          HE22      GLN  44   8.251 -13.978  -9.473
 1197    H    LEU  45           HN       LEU  45  11.920 -16.690  -5.015
 1198    HA   LEU  45           HA       LEU  45  11.709 -19.381  -5.645
 1199    HB2  LEU  45           HB2      LEU  45  13.305 -18.974  -4.049
 1200    HB3  LEU  45           HB1      LEU  45  12.305 -17.823  -3.185
 1201    HG   LEU  45           HG       LEU  45  10.914 -19.942  -2.531
 1202   HD11  LEU  45          HD11      LEU  45  13.588 -21.118  -3.260
 1203   HD12  LEU  45          HD12      LEU  45  12.013 -21.547  -3.928
 1204   HD13  LEU  45          HD13      LEU  45  12.389 -21.920  -2.245
 1205   HD21  LEU  45          HD21      LEU  45  12.486 -20.290  -0.587
 1206   HD22  LEU  45          HD22      LEU  45  11.946 -18.635  -0.863
 1207   HD23  LEU  45          HD23      LEU  45  13.563 -19.131  -1.366
 1208    H    LEU  46           HN       LEU  46   9.708 -17.492  -3.384
 1209    HA   LEU  46           HA       LEU  46   7.752 -19.681  -3.417
 1210    HB2  LEU  46           HB2      LEU  46   8.805 -18.028  -1.316
 1211    HB3  LEU  46           HB1      LEU  46   7.064 -17.848  -1.403
 1212    HG   LEU  46           HG       LEU  46   7.706 -19.582   0.196
 1213   HD11  LEU  46          HD11      LEU  46   6.293 -21.391  -0.660
 1214   HD12  LEU  46          HD12      LEU  46   6.358 -20.672  -2.269
 1215   HD13  LEU  46          HD13      LEU  46   5.578 -19.805  -0.947
 1216   HD21  LEU  46          HD21      LEU  46   8.918 -20.976  -2.188
 1217   HD22  LEU  46          HD22      LEU  46   8.726 -21.669  -0.577
 1218   HD23  LEU  46          HD23      LEU  46   9.798 -20.291  -0.822
 1219    H    GLN  47           HN       GLN  47   7.487 -16.177  -2.786
 1220    HA   GLN  47           HA       GLN  47   5.957 -14.635  -3.482
 1221    HB2  GLN  47           HB2      GLN  47   7.086 -15.603  -5.724
 1222    HB3  GLN  47           HB1      GLN  47   5.420 -16.082  -6.021
 1223    HG2  GLN  47           HG2      GLN  47   6.353 -13.285  -5.425
 1224    HG3  GLN  47           HG1      GLN  47   5.963 -13.918  -7.023
 1225   HE21  GLN  47          HE21      GLN  47   4.704 -12.864  -3.965
 1226   HE22  GLN  47          HE22      GLN  47   3.050 -12.760  -4.450
 1227    H    ARG  48           HN       ARG  48   5.070 -16.998  -2.035
 1228    HA   ARG  48           HA       ARG  48   2.235 -16.812  -2.684
 1229    HB2  ARG  48           HB2      ARG  48   3.713 -19.426  -2.367
 1230    HB3  ARG  48           HB1      ARG  48   1.962 -19.275  -2.371
 1231    HG2  ARG  48           HG2      ARG  48   2.069 -18.360  -4.646
 1232    HG3  ARG  48           HG1      ARG  48   3.818 -18.592  -4.635
 1233    HD2  ARG  48           HD2      ARG  48   3.488 -20.998  -4.303
 1234    HD3  ARG  48           HD1      ARG  48   1.742 -20.759  -4.334
 1235    HE   ARG  48           HE       ARG  48   2.909 -19.716  -6.686
 1236   HH11  ARG  48          HH11      ARG  48   2.123 -22.738  -5.137
 1237   HH12  ARG  48          HH12      ARG  48   1.953 -23.604  -6.627
 1238   HH21  ARG  48          HH21      ARG  48   2.687 -20.850  -8.651
 1239   HH22  ARG  48          HH22      ARG  48   2.274 -22.532  -8.624
 1240    H    ASP   1           HT1      ASP   1  -4.365  16.548  16.172
 1241    HA   ASP   1           HA       ASP   1  -5.714  15.998  14.256
 1242    HB2  ASP   1           HB2      ASP   1  -3.897  16.096  12.557
 1243    HB3  ASP   1           HB1      ASP   1  -3.678  17.253  13.867
 1244    H    GLU   2           HN       GLU   2  -6.389  14.562  12.713
 1245    HA   GLU   2           HA       GLU   2  -5.126  12.060  12.209
 1246    HB2  GLU   2           HB2      GLU   2  -6.882  10.603  13.140
 1247    HB3  GLU   2           HB1      GLU   2  -6.041  11.498  14.399
 1248    HG2  GLU   2           HG2      GLU   2  -7.898  13.096  14.488
 1249    HG3  GLU   2           HG1      GLU   2  -8.745  12.162  13.255
 1250    H    ASP   3           HN       ASP   3  -7.025  14.544  11.368
 1251    HA   ASP   3           HA       ASP   3  -8.992  13.246   9.758
 1252    HB2  ASP   3           HB2      ASP   3  -7.942  16.077   9.567
 1253    HB3  ASP   3           HB1      ASP   3  -9.424  15.468   8.837
 1254    H    THR   4           HN       THR   4  -8.234  15.226   7.456
 1255    HA   THR   4           HA       THR   4  -6.883  13.228   5.940
 1256    HB   THR   4           HB       THR   4  -6.926  15.883   4.740
 1257    HG1  THR   4           HG1      THR   4  -9.168  16.002   4.592
 1258   HG21  THR   4          HG21      THR   4  -7.934  13.153   3.967
 1259   HG22  THR   4          HG22      THR   4  -6.473  13.959   3.390
 1260   HG23  THR   4          HG23      THR   4  -8.059  14.575   2.929
 1261    H    TYR   5           HN       TYR   5  -4.935  13.263   5.043
 1262    HA   TYR   5           HA       TYR   5  -2.908  14.998   6.288
 1263    HB2  TYR   5           HB2      TYR   5  -2.977  12.044   5.885
 1264    HB3  TYR   5           HB1      TYR   5  -1.464  12.923   6.089
 1265    HD1  TYR   5           HD2      TYR   5  -1.180  14.335   8.182
 1266    HD2  TYR   5           HD1      TYR   5  -4.260  11.436   7.747
 1267    HE1  TYR   5           HE2      TYR   5  -1.454  14.272  10.621
 1268    HE2  TYR   5           HE1      TYR   5  -4.543  11.360  10.187
 1269    HH   TYR   5           HH       TYR   5  -3.509  11.932  12.183
 1270    H    TYR   6           HN       TYR   6  -0.905  15.134   4.935
 1271    HA   TYR   6           HA       TYR   6  -1.481  14.532   2.113
 1272    HB2  TYR   6           HB2      TYR   6   0.465  16.654   3.046
 1273    HB3  TYR   6           HB1      TYR   6  -0.226  16.449   1.441
 1274    HD1  TYR   6           HD2      TYR   6  -3.100  16.048   2.220
 1275    HD2  TYR   6           HD1      TYR   6  -0.208  18.861   3.567
 1276    HE1  TYR   6           HE2      TYR   6  -4.904  17.613   2.775
 1277    HE2  TYR   6           HE1      TYR   6  -2.007  20.441   4.135
 1278    HH   TYR   6           HH       TYR   6  -4.343  20.884   3.491
 1279    H    LEU   7           HN       LEU   7  -0.235  13.238   1.059
 1280    HA   LEU   7           HA       LEU   7   2.210  12.206   2.367
 1281    HB2  LEU   7           HB2      LEU   7  -0.126  10.957   1.489
 1282    HB3  LEU   7           HB1      LEU   7   1.034  10.622   0.238
 1283    HG   LEU   7           HG       LEU   7   2.055   9.043   1.443
 1284   HD11  LEU   7          HD11      LEU   7   3.288   9.867   3.107
 1285   HD12  LEU   7          HD12      LEU   7   1.946   9.343   4.132
 1286   HD13  LEU   7          HD13      LEU   7   2.049  11.022   3.589
 1287   HD21  LEU   7          HD21      LEU   7   0.576   7.938   3.050
 1288   HD22  LEU   7          HD22      LEU   7  -0.270   8.448   1.589
 1289   HD23  LEU   7          HD23      LEU   7  -0.441   9.379   3.076
 1290    H    GLN   8           HN       GLN   8   3.987  13.071   1.352
 1291    HA   GLN   8           HA       GLN   8   3.744  13.831  -1.416
 1292    HB2  GLN   8           HB2      GLN   8   5.037  15.002   0.612
 1293    HB3  GLN   8           HB1      GLN   8   6.339  14.007  -0.002
 1294    HG2  GLN   8           HG2      GLN   8   5.617  15.077  -2.287
 1295    HG3  GLN   8           HG1      GLN   8   5.005  16.338  -1.216
 1296   HE21  GLN   8          HE21      GLN   8   6.456  17.889  -1.662
 1297   HE22  GLN   8          HE22      GLN   8   8.147  17.772  -1.323
 1298    H    VAL   9           HN       VAL   9   4.094  12.442  -2.964
 1299    HA   VAL   9           HA       VAL   9   5.974  10.269  -2.445
 1300    HB   VAL   9           HB       VAL   9   3.332  10.133  -3.898
 1301   HG11  VAL   9          HG11      VAL   9   5.492   8.049  -3.736
 1302   HG12  VAL   9          HG12      VAL   9   4.893   8.861  -5.184
 1303   HG13  VAL   9          HG13      VAL   9   3.846   7.753  -4.296
 1304   HG21  VAL   9          HG21      VAL   9   4.308   8.554  -1.532
 1305   HG22  VAL   9          HG22      VAL   9   2.681   8.573  -2.212
 1306   HG23  VAL   9          HG23      VAL   9   3.321  10.010  -1.415
 1307    H    ARG  10           HN       ARG  10   7.569  10.020  -3.872
 1308    HA   ARG  10           HA       ARG  10   7.483  11.746  -6.245
 1309    HB2  ARG  10           HB2      ARG  10   9.409  11.729  -4.461
 1310    HB3  ARG  10           HB1      ARG  10   9.949  10.300  -5.330
 1311    HG2  ARG  10           HG2      ARG  10   9.390  12.842  -6.800
 1312    HG3  ARG  10           HG1      ARG  10  10.921  12.606  -5.956
 1313    HD2  ARG  10           HD2      ARG  10  11.303  10.556  -7.248
 1314    HD3  ARG  10           HD1      ARG  10   9.782  10.815  -8.099
 1315    HE   ARG  10           HE       ARG  10  11.300  13.112  -8.435
 1316   HH11  ARG  10          HH11      ARG  10  11.503   9.734  -9.266
 1317   HH12  ARG  10          HH12      ARG  10  12.424  10.012 -10.707
 1318   HH21  ARG  10          HH21      ARG  10  12.512  13.487 -10.329
 1319   HH22  ARG  10          HH22      ARG  10  12.998  12.145 -11.310
 1320    H    GLY  11           HN       GLY  11   7.678  11.005  -8.281
 1321    HA2  GLY  11           HA2      GLY  11   8.091   9.408  -9.960
 1322    HA3  GLY  11           HA1      GLY  11   8.245   8.175  -8.715
 1323    H    ARG  12           HN       ARG  12   6.445   8.971 -11.247
 1324    HA   ARG  12           HA       ARG  12   3.796   8.962 -10.484
 1325    HB2  ARG  12           HB2      ARG  12   4.906   9.207 -12.819
 1326    HB3  ARG  12           HB1      ARG  12   4.691   7.464 -12.920
 1327    HG2  ARG  12           HG2      ARG  12   2.824   8.434 -13.978
 1328    HG3  ARG  12           HG1      ARG  12   2.258   7.849 -12.413
 1329    HD2  ARG  12           HD2      ARG  12   2.522  10.135 -11.511
 1330    HD3  ARG  12           HD1      ARG  12   2.973  10.689 -13.123
 1331    HE   ARG  12           HE       ARG  12   0.360   9.424 -12.655
 1332   HH11  ARG  12          HH11      ARG  12   2.279  12.146 -13.681
 1333   HH12  ARG  12          HH12      ARG  12   0.931  13.014 -14.335
 1334   HH21  ARG  12          HH21      ARG  12  -1.420  10.560 -13.513
 1335   HH22  ARG  12          HH22      ARG  12  -1.171  12.113 -14.239
 1336    H    GLU  13           HN       GLU  13   5.794   6.147 -11.222
 1337    HA   GLU  13           HA       GLU  13   3.896   4.159 -10.980
 1338    HB2  GLU  13           HB2      GLU  13   6.216   3.781 -11.745
 1339    HB3  GLU  13           HB1      GLU  13   6.780   3.964 -10.090
 1340    HG2  GLU  13           HG2      GLU  13   5.673   1.978  -9.406
 1341    HG3  GLU  13           HG1      GLU  13   4.813   1.858 -10.941
 1342    H    ASN  14           HN       ASN  14   5.852   5.574  -8.365
 1343    HA   ASN  14           HA       ASN  14   4.760   3.930  -6.297
 1344    HB2  ASN  14           HB2      ASN  14   6.136   6.608  -6.073
 1345    HB3  ASN  14           HB1      ASN  14   5.906   5.429  -4.787
 1346   HD21  ASN  14          HD21      ASN  14   8.365   6.570  -5.794
 1347   HD22  ASN  14          HD22      ASN  14   9.333   5.246  -6.338
 1348    H    PHE  15           HN       PHE  15   4.024   7.203  -7.505
 1349    HA   PHE  15           HA       PHE  15   2.147   7.817  -5.514
 1350    HB2  PHE  15           HB2      PHE  15   3.191   9.516  -6.966
 1351    HB3  PHE  15           HB1      PHE  15   2.359   8.843  -8.361
 1352    HD1  PHE  15           HD2      PHE  15   1.262   9.811  -4.921
 1353    HD2  PHE  15           HD1      PHE  15   0.765  10.291  -9.127
 1354    HE1  PHE  15           HE2      PHE  15  -0.610  11.341  -4.520
 1355    HE2  PHE  15           HE1      PHE  15  -1.135  11.818  -8.718
 1356    HZ   PHE  15           HZ       PHE  15  -1.814  12.339  -6.410
 1357    H    GLU  16           HN       GLU  16   1.640   6.546  -8.815
 1358    HA   GLU  16           HA       GLU  16  -1.115   6.325  -8.683
 1359    HB2  GLU  16           HB2      GLU  16   0.870   4.595 -10.163
 1360    HB3  GLU  16           HB1      GLU  16  -0.868   4.521 -10.414
 1361    HG2  GLU  16           HG2      GLU  16   0.865   6.941 -10.859
 1362    HG3  GLU  16           HG1      GLU  16   0.248   5.867 -12.114
 1363    H    ILE  17           HN       ILE  17   1.330   4.142  -7.447
 1364    HA   ILE  17           HA       ILE  17  -0.470   1.968  -6.889
 1365    HB   ILE  17           HB       ILE  17   2.376   2.523  -6.461
 1366   HG12  ILE  17          HG12      ILE  17   0.951  -0.090  -6.833
 1367   HG13  ILE  17          HG11      ILE  17   1.255   1.009  -8.170
 1368   HG21  ILE  17          HG21      ILE  17   0.928   0.727  -4.522
 1369   HG22  ILE  17          HG22      ILE  17   1.832   2.190  -4.125
 1370   HG23  ILE  17          HG23      ILE  17   2.681   0.770  -4.756
 1371   HD11  ILE  17          HD11      ILE  17   2.963  -0.596  -8.199
 1372   HD12  ILE  17          HD12      ILE  17   3.213  -0.463  -6.455
 1373   HD13  ILE  17          HD13      ILE  17   3.687   0.865  -7.522
 1374    H    LEU  18           HN       LEU  18   0.837   4.704  -5.074
 1375    HA   LEU  18           HA       LEU  18  -0.385   3.976  -2.555
 1376    HB2  LEU  18           HB2      LEU  18   1.203   6.265  -3.630
 1377    HB3  LEU  18           HB1      LEU  18   0.308   6.438  -2.133
 1378    HG   LEU  18           HG       LEU  18   2.135   4.103  -2.390
 1379   HD11  LEU  18          HD11      LEU  18   3.329   6.195  -3.226
 1380   HD12  LEU  18          HD12      LEU  18   4.073   5.321  -1.886
 1381   HD13  LEU  18          HD13      LEU  18   3.165   6.799  -1.577
 1382   HD21  LEU  18          HD21      LEU  18   0.811   4.269  -0.408
 1383   HD22  LEU  18          HD22      LEU  18   1.277   5.953  -0.174
 1384   HD23  LEU  18          HD23      LEU  18   2.474   4.672   0.016
 1385    H    MET  19           HN       MET  19  -1.215   5.893  -5.379
 1386    HA   MET  19           HA       MET  19  -3.274   7.353  -4.056
 1387    HB2  MET  19           HB2      MET  19  -1.936   7.821  -6.366
 1388    HB3  MET  19           HB1      MET  19  -3.349   7.021  -7.029
 1389    HG2  MET  19           HG2      MET  19  -3.254   9.572  -5.451
 1390    HG3  MET  19           HG1      MET  19  -3.705   9.358  -7.136
 1391    HE1  MET  19           HE1      MET  19  -6.889  10.520  -5.063
 1392    HE2  MET  19           HE2      MET  19  -5.980  10.876  -6.530
 1393    HE3  MET  19           HE3      MET  19  -5.190  10.975  -4.955
 1394    H    LYS  20           HN       LYS  20  -3.249   4.443  -6.148
 1395    HA   LYS  20           HA       LYS  20  -6.062   4.135  -6.131
 1396    HB2  LYS  20           HB2      LYS  20  -4.963   2.697  -7.638
 1397    HB3  LYS  20           HB1      LYS  20  -3.765   2.216  -6.444
 1398    HG2  LYS  20           HG2      LYS  20  -5.044   0.323  -6.447
 1399    HG3  LYS  20           HG1      LYS  20  -5.925   1.231  -5.233
 1400    HD2  LYS  20           HD2      LYS  20  -7.665   1.647  -6.618
 1401    HD3  LYS  20           HD1      LYS  20  -6.665   1.579  -8.068
 1402    HE2  LYS  20           HE2      LYS  20  -6.552  -0.819  -7.935
 1403    HE3  LYS  20           HE1      LYS  20  -7.407  -0.807  -6.396
 1404    HZ1  LYS  20           HZ1      LYS  20  -8.530   0.070  -9.001
 1405    HZ2  LYS  20           HZ2      LYS  20  -9.352   0.081  -7.523
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.880  -1.388  -8.215
 1407    H    LEU  21           HN       LEU  21  -3.504   3.617  -3.918
 1408    HA   LEU  21           HA       LEU  21  -4.985   1.928  -2.145
 1409    HB2  LEU  21           HB2      LEU  21  -2.404   2.184  -2.478
 1410    HB3  LEU  21           HB1      LEU  21  -2.567   3.471  -1.305
 1411    HG   LEU  21           HG       LEU  21  -2.891   0.532  -0.954
 1412   HD11  LEU  21          HD11      LEU  21  -1.354   0.768   0.743
 1413   HD12  LEU  21          HD12      LEU  21  -1.728   2.474   0.984
 1414   HD13  LEU  21          HD13      LEU  21  -0.819   1.963  -0.437
 1415   HD21  LEU  21          HD21      LEU  21  -4.173   2.611   0.806
 1416   HD22  LEU  21          HD22      LEU  21  -3.932   0.922   1.254
 1417   HD23  LEU  21          HD23      LEU  21  -4.988   1.334  -0.097
 1418    H    LYS  22           HN       LYS  22  -4.209   5.394  -2.257
 1419    HA   LYS  22           HA       LYS  22  -5.228   6.088   0.261
 1420    HB2  LYS  22           HB2      LYS  22  -3.900   7.674  -0.996
 1421    HB3  LYS  22           HB1      LYS  22  -5.051   7.654  -2.325
 1422    HG2  LYS  22           HG2      LYS  22  -6.386   8.396   0.099
 1423    HG3  LYS  22           HG1      LYS  22  -4.965   9.411  -0.143
 1424    HD2  LYS  22           HD2      LYS  22  -6.642   8.950  -2.527
 1425    HD3  LYS  22           HD1      LYS  22  -7.373   9.916  -1.245
 1426    HE2  LYS  22           HE2      LYS  22  -5.195  11.263  -1.271
 1427    HE3  LYS  22           HE1      LYS  22  -4.866  10.461  -2.805
 1428    HZ1  LYS  22           HZ1      LYS  22  -7.000  11.332  -3.623
 1429    HZ2  LYS  22           HZ2      LYS  22  -5.913  12.559  -3.210
 1430    HZ3  LYS  22           HZ3      LYS  22  -7.197  12.184  -2.175
 1431    H    GLU  23           HN       GLU  23  -6.673   5.689  -2.891
 1432    HA   GLU  23           HA       GLU  23  -9.294   6.547  -2.203
 1433    HB2  GLU  23           HB2      GLU  23  -8.754   6.533  -4.508
 1434    HB3  GLU  23           HB1      GLU  23  -8.124   4.896  -4.436
 1435    HG2  GLU  23           HG2      GLU  23 -10.328   3.995  -4.202
 1436    HG3  GLU  23           HG1      GLU  23 -11.022   5.610  -4.075
 1437    H    SER  24           HN       SER  24  -7.806   3.284  -2.379
 1438    HA   SER  24           HA       SER  24 -10.061   1.879  -1.618
 1439    HB2  SER  24           HB2      SER  24  -7.246   1.137  -0.885
 1440    HB3  SER  24           HB1      SER  24  -8.618   0.056  -1.105
 1441    HG   SER  24           HG       SER  24  -6.918   0.624  -2.913
 1442    H    LEU  25           HN       LEU  25  -7.513   3.233   0.499
 1443    HA   LEU  25           HA       LEU  25  -8.568   2.153   2.938
 1444    HB2  LEU  25           HB2      LEU  25  -6.582   4.300   2.269
 1445    HB3  LEU  25           HB1      LEU  25  -7.135   4.061   3.913
 1446    HG   LEU  25           HG       LEU  25  -5.868   1.853   2.303
 1447   HD11  LEU  25          HD11      LEU  25  -3.822   2.376   3.645
 1448   HD12  LEU  25          HD12      LEU  25  -4.588   3.897   4.103
 1449   HD13  LEU  25          HD13      LEU  25  -4.222   3.567   2.410
 1450   HD21  LEU  25          HD21      LEU  25  -6.166   2.241   5.280
 1451   HD22  LEU  25          HD22      LEU  25  -5.502   0.827   4.449
 1452   HD23  LEU  25          HD23      LEU  25  -7.216   1.223   4.283
 1453    H    GLU  26           HN       GLU  26  -8.852   5.299   1.354
 1454    HA   GLU  26           HA       GLU  26 -10.397   6.371   3.477
 1455    HB2  GLU  26           HB2      GLU  26  -9.949   7.276   0.642
 1456    HB3  GLU  26           HB1      GLU  26 -11.093   8.112   1.684
 1457    HG2  GLU  26           HG2      GLU  26  -9.186   8.354   3.336
 1458    HG3  GLU  26           HG1      GLU  26  -8.126   7.833   2.027
 1459    H    LEU  27           HN       LEU  27 -11.256   4.716   0.477
 1460    HA   LEU  27           HA       LEU  27 -14.061   5.161   0.699
 1461    HB2  LEU  27           HB2      LEU  27 -12.360   3.195  -0.785
 1462    HB3  LEU  27           HB1      LEU  27 -14.105   3.058  -0.771
 1463    HG   LEU  27           HG       LEU  27 -12.707   5.545  -1.716
 1464   HD11  LEU  27          HD11      LEU  27 -13.620   3.185  -3.357
 1465   HD12  LEU  27          HD12      LEU  27 -11.941   3.610  -3.029
 1466   HD13  LEU  27          HD13      LEU  27 -12.956   4.697  -3.977
 1467   HD21  LEU  27          HD21      LEU  27 -15.084   5.736  -1.127
 1468   HD22  LEU  27          HD22      LEU  27 -15.454   4.406  -2.229
 1469   HD23  LEU  27          HD23      LEU  27 -14.823   5.929  -2.861
 1470    H    MET  28           HN       MET  28 -11.921   3.033   2.423
 1471    HA   MET  28           HA       MET  28 -13.819   0.995   2.808
 1472    HB2  MET  28           HB2      MET  28 -11.227   1.672   4.066
 1473    HB3  MET  28           HB1      MET  28 -12.327   0.782   5.108
 1474    HG2  MET  28           HG2      MET  28 -10.653  -0.550   3.736
 1475    HG3  MET  28           HG1      MET  28 -12.329  -1.085   3.714
 1476    HE1  MET  28           HE1      MET  28 -14.013   0.013   1.387
 1477    HE2  MET  28           HE2      MET  28 -13.548  -1.562   2.029
 1478    HE3  MET  28           HE3      MET  28 -13.341  -1.213   0.313
 1479    H    GLU  29           HN       GLU  29 -13.888   4.129   3.870
 1480    HA   GLU  29           HA       GLU  29 -15.383   3.595   6.308
 1481    HB2  GLU  29           HB2      GLU  29 -15.220   5.879   6.735
 1482    HB3  GLU  29           HB1      GLU  29 -13.693   5.502   5.947
 1483    HG2  GLU  29           HG2      GLU  29 -14.697   6.297   3.802
 1484    HG3  GLU  29           HG1      GLU  29 -16.098   6.833   4.726
 1485    H    LEU  30           HN       LEU  30 -15.980   4.013   2.947
 1486    HA   LEU  30           HA       LEU  30 -18.679   5.027   3.443
 1487    HB2  LEU  30           HB2      LEU  30 -18.517   6.151   1.538
 1488    HB3  LEU  30           HB1      LEU  30 -16.809   5.789   1.620
 1489    HG   LEU  30           HG       LEU  30 -18.816   4.150   0.091
 1490   HD11  LEU  30          HD11      LEU  30 -17.858   5.213  -1.901
 1491   HD12  LEU  30          HD12      LEU  30 -16.883   6.255  -0.862
 1492   HD13  LEU  30          HD13      LEU  30 -18.642   6.386  -0.842
 1493   HD21  LEU  30          HD21      LEU  30 -15.818   4.095   0.240
 1494   HD22  LEU  30          HD22      LEU  30 -16.734   3.321  -1.047
 1495   HD23  LEU  30          HD23      LEU  30 -16.943   2.791   0.621
 1496    H    VAL  31           HN       VAL  31 -17.246   2.131   3.256
 1497    HA   VAL  31           HA       VAL  31 -19.477   0.879   1.820
 1498    HB   VAL  31           HB       VAL  31 -17.443  -0.024   1.010
 1499   HG11  VAL  31          HG11      VAL  31 -15.955   0.718   2.784
 1500   HG12  VAL  31          HG12      VAL  31 -15.714  -0.994   2.432
 1501   HG13  VAL  31          HG13      VAL  31 -16.618  -0.506   3.868
 1502   HG21  VAL  31          HG21      VAL  31 -18.818  -1.838   1.096
 1503   HG22  VAL  31          HG22      VAL  31 -19.008  -1.756   2.846
 1504   HG23  VAL  31          HG23      VAL  31 -17.528  -2.410   2.151
 1505    HA   PRO  32           HA       PRO  32 -21.607   0.288   5.677
 1506    HB2  PRO  32           HB2      PRO  32 -22.340  -2.266   4.276
 1507    HB3  PRO  32           HB1      PRO  32 -23.372  -1.161   5.192
 1508    HG2  PRO  32           HG2      PRO  32 -23.334  -1.124   2.516
 1509    HG3  PRO  32           HG1      PRO  32 -23.507   0.365   3.462
 1510    HD2  PRO  32           HD2      PRO  32 -21.198  -0.610   1.894
 1511    HD3  PRO  32           HD1      PRO  32 -21.625   1.048   2.364
 1512    H    GLN  33           HN       GLN  33 -20.676  -0.403   7.489
 1513    HA   GLN  33           HA       GLN  33 -18.438  -1.984   7.661
 1514    HB2  GLN  33           HB2      GLN  33 -19.056  -0.477   9.432
 1515    HB3  GLN  33           HB1      GLN  33 -20.507  -1.406   9.776
 1516    HG2  GLN  33           HG2      GLN  33 -18.851  -1.889  11.434
 1517    HG3  GLN  33           HG1      GLN  33 -19.093  -3.316  10.426
 1518   HE21  GLN  33          HE21      GLN  33 -17.086  -4.160  10.958
 1519   HE22  GLN  33          HE22      GLN  33 -15.613  -3.501  10.340
 1520    HA   PRO  34           HA       PRO  34 -21.225  -5.714   9.095
 1521    HB2  PRO  34           HB2      PRO  34 -23.615  -5.259   7.393
 1522    HB3  PRO  34           HB1      PRO  34 -23.514  -5.852   9.054
 1523    HG2  PRO  34           HG2      PRO  34 -24.365  -3.375   8.521
 1524    HG3  PRO  34           HG1      PRO  34 -23.370  -3.722   9.948
 1525    HD2  PRO  34           HD2      PRO  34 -22.584  -2.482   7.341
 1526    HD3  PRO  34           HD1      PRO  34 -22.061  -2.075   8.988
 1527    H    LEU  35           HN       LEU  35 -21.235  -4.276   5.911
 1528    HA   LEU  35           HA       LEU  35 -21.307  -6.776   4.488
 1529    HB2  LEU  35           HB2      LEU  35 -22.341  -4.859   3.471
 1530    HB3  LEU  35           HB1      LEU  35 -20.886  -3.904   3.662
 1531    HG   LEU  35           HG       LEU  35 -19.760  -5.394   2.032
 1532   HD11  LEU  35          HD11      LEU  35 -21.144  -7.374   2.291
 1533   HD12  LEU  35          HD12      LEU  35 -21.111  -6.837   0.611
 1534   HD13  LEU  35          HD13      LEU  35 -22.523  -6.506   1.615
 1535   HD21  LEU  35          HD21      LEU  35 -20.685  -3.258   1.344
 1536   HD22  LEU  35          HD22      LEU  35 -22.252  -4.015   1.063
 1537   HD23  LEU  35          HD23      LEU  35 -20.867  -4.457   0.064
 1538    H    VAL  36           HN       VAL  36 -18.904  -4.545   5.688
 1539    HA   VAL  36           HA       VAL  36 -16.706  -5.598   4.178
 1540    HB   VAL  36           HB       VAL  36 -16.832  -3.942   6.702
 1541   HG11  VAL  36          HG11      VAL  36 -14.383  -4.948   5.255
 1542   HG12  VAL  36          HG12      VAL  36 -14.860  -5.311   6.914
 1543   HG13  VAL  36          HG13      VAL  36 -14.375  -3.674   6.474
 1544   HG21  VAL  36          HG21      VAL  36 -15.898  -3.328   3.898
 1545   HG22  VAL  36          HG22      VAL  36 -15.877  -2.206   5.259
 1546   HG23  VAL  36          HG23      VAL  36 -17.414  -2.798   4.629
 1547    H    ASP  37           HN       ASP  37 -18.052  -6.145   7.399
 1548    HA   ASP  37           HA       ASP  37 -16.207  -8.014   8.344
 1549    HB2  ASP  37           HB2      ASP  37 -19.170  -7.737   8.881
 1550    HB3  ASP  37           HB1      ASP  37 -18.117  -8.837   9.765
 1551    H    SER  38           HN       SER  38 -19.146  -8.454   6.351
 1552    HA   SER  38           HA       SER  38 -19.106 -11.230   6.301
 1553    HB2  SER  38           HB2      SER  38 -20.980  -9.895   5.422
 1554    HB3  SER  38           HB1      SER  38 -19.972  -9.361   4.077
 1555    HG   SER  38           HG       SER  38 -20.049 -11.343   3.206
 1556    H    TYR  39           HN       TYR  39 -17.489  -8.882   4.199
 1557    HA   TYR  39           HA       TYR  39 -16.302 -10.656   2.397
 1558    HB2  TYR  39           HB2      TYR  39 -16.136  -8.462   1.703
 1559    HB3  TYR  39           HB1      TYR  39 -15.737  -7.871   3.313
 1560    HD1  TYR  39           HD2      TYR  39 -14.360  -9.703   0.396
 1561    HD2  TYR  39           HD1      TYR  39 -13.498  -7.539   3.954
 1562    HE1  TYR  39           HE2      TYR  39 -11.983  -9.663  -0.212
 1563    HE2  TYR  39           HE1      TYR  39 -11.120  -7.499   3.364
 1564    HH   TYR  39           HH       TYR  39  -9.539  -8.714   1.981
 1565    H    ARG  40           HN       ARG  40 -15.145  -9.316   5.462
 1566    HA   ARG  40           HA       ARG  40 -12.610 -10.380   5.511
 1567    HB2  ARG  40           HB2      ARG  40 -14.533  -9.822   7.765
 1568    HB3  ARG  40           HB1      ARG  40 -12.850 -10.265   8.024
 1569    HG2  ARG  40           HG2      ARG  40 -12.135  -8.288   6.785
 1570    HG3  ARG  40           HG1      ARG  40 -13.823  -7.848   6.515
 1571    HD2  ARG  40           HD2      ARG  40 -14.161  -7.655   8.927
 1572    HD3  ARG  40           HD1      ARG  40 -12.480  -8.111   9.203
 1573    HE   ARG  40           HE       ARG  40 -12.460  -5.903   7.522
 1574   HH11  ARG  40          HH11      ARG  40 -13.470  -6.680  10.764
 1575   HH12  ARG  40          HH12      ARG  40 -13.194  -5.082  11.371
 1576   HH21  ARG  40          HH21      ARG  40 -12.092  -3.796   8.312
 1577   HH22  ARG  40          HH22      ARG  40 -12.411  -3.442   9.977
 1578    H    GLN  41           HN       GLN  41 -15.678 -11.826   6.361
 1579    HA   GLN  41           HA       GLN  41 -14.749 -14.184   7.560
 1580    HB2  GLN  41           HB2      GLN  41 -17.249 -13.789   5.897
 1581    HB3  GLN  41           HB1      GLN  41 -16.934 -15.188   6.913
 1582    HG2  GLN  41           HG2      GLN  41 -16.867 -13.730   8.882
 1583    HG3  GLN  41           HG1      GLN  41 -17.221 -12.345   7.852
 1584   HE21  GLN  41          HE21      GLN  41 -18.477 -15.250   9.286
 1585   HE22  GLN  41          HE22      GLN  41 -20.146 -14.918   8.988
 1586    H    GLN  42           HN       GLN  42 -15.655 -13.565   4.171
 1587    HA   GLN  42           HA       GLN  42 -14.870 -16.080   3.168
 1588    HB2  GLN  42           HB2      GLN  42 -16.308 -14.534   1.912
 1589    HB3  GLN  42           HB1      GLN  42 -14.969 -13.407   1.752
 1590    HG2  GLN  42           HG2      GLN  42 -13.739 -15.046   0.428
 1591    HG3  GLN  42           HG1      GLN  42 -15.075 -16.185   0.596
 1592   HE21  GLN  42          HE21      GLN  42 -13.893 -15.012  -1.804
 1593   HE22  GLN  42          HE22      GLN  42 -15.183 -14.215  -2.631
 1594    H    GLN  43           HN       GLN  43 -13.097 -13.261   4.041
 1595    HA   GLN  43           HA       GLN  43 -10.694 -13.945   2.609
 1596    HB2  GLN  43           HB2      GLN  43 -11.195 -11.617   3.019
 1597    HB3  GLN  43           HB1      GLN  43 -11.300 -11.899   4.750
 1598    HG2  GLN  43           HG2      GLN  43  -8.881 -12.532   4.700
 1599    HG3  GLN  43           HG1      GLN  43  -8.845 -11.985   3.023
 1600   HE21  GLN  43          HE21      GLN  43  -9.186 -11.020   6.349
 1601   HE22  GLN  43          HE22      GLN  43  -8.925  -9.331   6.097
 1602    H    GLN  44           HN       GLN  44 -11.989 -14.389   5.828
 1603    HA   GLN  44           HA       GLN  44  -9.569 -15.229   7.066
 1604    HB2  GLN  44           HB2      GLN  44 -11.627 -14.398   8.269
 1605    HB3  GLN  44           HB1      GLN  44 -12.386 -15.935   7.889
 1606    HG2  GLN  44           HG2      GLN  44 -11.455 -15.829  10.172
 1607    HG3  GLN  44           HG1      GLN  44 -10.798 -17.135   9.192
 1608   HE21  GLN  44          HE21      GLN  44  -9.835 -13.766   8.896
 1609   HE22  GLN  44          HE22      GLN  44  -8.229 -13.987   9.483
 1610    H    LEU  45           HN       LEU  45 -11.894 -16.706   5.024
 1611    HA   LEU  45           HA       LEU  45 -11.679 -19.396   5.655
 1612    HB2  LEU  45           HB2      LEU  45 -13.275 -18.991   4.058
 1613    HB3  LEU  45           HB1      LEU  45 -12.276 -17.840   3.195
 1614    HG   LEU  45           HG       LEU  45 -10.882 -19.956   2.543
 1615   HD11  LEU  45          HD11      LEU  45 -13.555 -21.137   3.270
 1616   HD12  LEU  45          HD12      LEU  45 -11.979 -21.563   3.938
 1617   HD13  LEU  45          HD13      LEU  45 -12.354 -21.936   2.256
 1618   HD21  LEU  45          HD21      LEU  45 -12.451 -20.308   0.597
 1619   HD22  LEU  45          HD22      LEU  45 -11.912 -18.651   0.872
 1620   HD23  LEU  45          HD23      LEU  45 -13.530 -19.148   1.374
 1621    H    LEU  46           HN       LEU  46  -9.679 -17.504   3.393
 1622    HA   LEU  46           HA       LEU  46  -7.719 -19.690   3.426
 1623    HB2  LEU  46           HB2      LEU  46  -8.775 -18.038   1.324
 1624    HB3  LEU  46           HB1      LEU  46  -7.034 -17.857   1.412
 1625    HG   LEU  46           HG       LEU  46  -7.673 -19.592  -0.186
 1626   HD11  LEU  46          HD11      LEU  46  -6.258 -21.398   0.671
 1627   HD12  LEU  46          HD12      LEU  46  -6.325 -20.679   2.280
 1628   HD13  LEU  46          HD13      LEU  46  -5.544 -19.811   0.958
 1629   HD21  LEU  46          HD21      LEU  46  -8.883 -20.987   2.198
 1630   HD22  LEU  46          HD22      LEU  46  -8.690 -21.680   0.588
 1631   HD23  LEU  46          HD23      LEU  46  -9.765 -20.303   0.832
 1632    H    GLN  47           HN       GLN  47  -7.459 -16.186   2.793
 1633    HA   GLN  47           HA       GLN  47  -5.933 -14.642   3.491
 1634    HB2  GLN  47           HB2      GLN  47  -7.061 -15.610   5.733
 1635    HB3  GLN  47           HB1      GLN  47  -5.395 -16.086   6.030
 1636    HG2  GLN  47           HG2      GLN  47  -6.331 -13.290   5.433
 1637    HG3  GLN  47           HG1      GLN  47  -5.941 -13.922   7.031
 1638   HE21  GLN  47          HE21      GLN  47  -4.683 -12.869   3.973
 1639   HE22  GLN  47          HE22      GLN  47  -3.029 -12.762   4.458
 1640    H    ARG  48           HN       ARG  48  -5.043 -17.004   2.044
 1641    HA   ARG  48           HA       ARG  48  -2.207 -16.814   2.693
 1642    HB2  ARG  48           HB2      ARG  48  -3.681 -19.430   2.377
 1643    HB3  ARG  48           HB1      ARG  48  -1.931 -19.275   2.381
 1644    HG2  ARG  48           HG2      ARG  48  -2.040 -18.360   4.656
 1645    HG3  ARG  48           HG1      ARG  48  -3.788 -18.595   4.644
 1646    HD2  ARG  48           HD2      ARG  48  -3.453 -21.001   4.313
 1647    HD3  ARG  48           HD1      ARG  48  -1.707 -20.758   4.344
 1648    HE   ARG  48           HE       ARG  48  -2.877 -19.717   6.695
 1649   HH11  ARG  48          HH11      ARG  48  -2.086 -22.738   5.149
 1650   HH12  ARG  48          HH12      ARG  48  -1.915 -23.604   6.639
 1651   HH21  ARG  48          HH21      ARG  48  -2.654 -20.849   8.661
 1652   HH22  ARG  48          HH22      ARG  48  -2.239 -22.531   8.635
  Start of MODEL    6
    1    H    ASP   1           HT1      ASP   1  -5.480 -14.443 -16.522
    2    HA   ASP   1           HA       ASP   1  -5.666 -15.770 -13.882
    3    HB2  ASP   1           HB2      ASP   1  -3.263 -14.764 -15.426
    4    HB3  ASP   1           HB1      ASP   1  -3.223 -15.379 -13.776
    5    H    GLU   2           HN       GLU   2  -6.754 -14.281 -12.715
    6    HA   GLU   2           HA       GLU   2  -5.433 -11.864 -12.008
    7    HB2  GLU   2           HB2      GLU   2  -7.165 -10.285 -12.763
    8    HB3  GLU   2           HB1      GLU   2  -6.364 -11.076 -14.114
    9    HG2  GLU   2           HG2      GLU   2  -8.256 -12.602 -14.343
   10    HG3  GLU   2           HG1      GLU   2  -9.060 -11.804 -12.992
   11    H    ASP   3           HN       ASP   3  -7.172 -14.381 -11.199
   12    HA   ASP   3           HA       ASP   3  -9.192 -13.212  -9.528
   13    HB2  ASP   3           HB2      ASP   3  -8.057 -16.017  -9.487
   14    HB3  ASP   3           HB1      ASP   3  -9.543 -15.486  -8.704
   15    H    THR   4           HN       THR   4  -8.470 -15.167  -7.274
   16    HA   THR   4           HA       THR   4  -7.039 -13.255  -5.727
   17    HB   THR   4           HB       THR   4  -7.146 -15.964  -4.634
   18    HG1  THR   4           HG1      THR   4  -9.622 -14.714  -4.620
   19   HG21  THR   4          HG21      THR   4  -8.076 -14.753  -2.690
   20   HG22  THR   4          HG22      THR   4  -8.087 -13.271  -3.651
   21   HG23  THR   4          HG23      THR   4  -6.555 -14.053  -3.251
   22    H    TYR   5           HN       TYR   5  -5.064 -13.336  -4.891
   23    HA   TYR   5           HA       TYR   5  -3.113 -15.106  -6.210
   24    HB2  TYR   5           HB2      TYR   5  -3.081 -12.155  -5.765
   25    HB3  TYR   5           HB1      TYR   5  -1.604 -13.078  -6.031
   26    HD1  TYR   5           HD1      TYR   5  -1.455 -14.482  -8.157
   27    HD2  TYR   5           HD2      TYR   5  -4.376 -11.448  -7.572
   28    HE1  TYR   5           HE1      TYR   5  -1.798 -14.355 -10.587
   29    HE2  TYR   5           HE2      TYR   5  -4.727 -11.308 -10.001
   30    HH   TYR   5           HH       TYR   5  -3.525 -13.647 -12.164
   31    H    TYR   6           HN       TYR   6  -1.063 -15.285  -4.914
   32    HA   TYR   6           HA       TYR   6  -1.553 -14.711  -2.069
   33    HB2  TYR   6           HB2      TYR   6   0.372 -16.815  -3.083
   34    HB3  TYR   6           HB1      TYR   6  -0.263 -16.629  -1.454
   35    HD1  TYR   6           HD1      TYR   6  -3.172 -16.231  -2.195
   36    HD2  TYR   6           HD2      TYR   6  -0.281 -19.049  -3.528
   37    HE1  TYR   6           HE1      TYR   6  -4.972 -17.819  -2.698
   38    HE2  TYR   6           HE2      TYR   6  -2.074 -20.652  -4.042
   39    HH   TYR   6           HH       TYR   6  -4.390 -21.102  -3.374
   40    H    LEU   7           HN       LEU   7  -0.276 -13.419  -1.048
   41    HA   LEU   7           HA       LEU   7   2.131 -12.391  -2.429
   42    HB2  LEU   7           HB2      LEU   7  -0.172 -11.127  -1.547
   43    HB3  LEU   7           HB1      LEU   7   0.967 -10.818  -0.266
   44    HG   LEU   7           HG       LEU   7   2.069  -9.263  -1.448
   45   HD11  LEU   7          HD11      LEU   7   1.892  -9.499  -4.143
   46   HD12  LEU   7          HD12      LEU   7   1.947 -11.191  -3.637
   47   HD13  LEU   7          HD13      LEU   7   3.236 -10.089  -3.160
   48   HD21  LEU   7          HD21      LEU   7  -0.274  -8.631  -1.532
   49   HD22  LEU   7          HD22      LEU   7  -0.444  -9.449  -3.085
   50   HD23  LEU   7          HD23      LEU   7   0.602  -8.036  -2.943
   51    H    GLN   8           HN       GLN   8   3.945 -13.250  -1.453
   52    HA   GLN   8           HA       GLN   8   3.759 -13.947   1.338
   53    HB2  GLN   8           HB2      GLN   8   5.088 -15.113  -0.718
   54    HB3  GLN   8           HB1      GLN   8   6.374 -14.166   0.014
   55    HG2  GLN   8           HG2      GLN   8   5.479 -15.251   2.220
   56    HG3  GLN   8           HG1      GLN   8   4.853 -16.465   1.107
   57   HE21  GLN   8          HE21      GLN   8   7.219 -15.918  -0.704
   58   HE22  GLN   8          HE22      GLN   8   8.522 -16.776   0.029
   59    H    VAL   9           HN       VAL   9   4.160 -12.543   2.851
   60    HA   VAL   9           HA       VAL   9   6.017 -10.379   2.237
   61    HB   VAL   9           HB       VAL   9   3.357 -10.201   3.633
   62   HG11  VAL   9          HG11      VAL   9   3.907  -7.831   4.105
   63   HG12  VAL   9          HG12      VAL   9   5.576  -8.170   3.646
   64   HG13  VAL   9          HG13      VAL   9   4.859  -8.986   5.036
   65   HG21  VAL   9          HG21      VAL   9   3.438 -10.003   1.170
   66   HG22  VAL   9          HG22      VAL   9   4.501  -8.607   1.349
   67   HG23  VAL   9          HG23      VAL   9   2.850  -8.544   1.967
   68    H    ARG  10           HN       ARG  10   7.616 -10.062   3.646
   69    HA   ARG  10           HA       ARG  10   7.593 -11.763   6.037
   70    HB2  ARG  10           HB2      ARG  10   9.473 -11.798   4.241
   71    HB3  ARG  10           HB1      ARG  10  10.013 -10.305   4.994
   72    HG2  ARG  10           HG2      ARG  10   9.553 -12.735   6.664
   73    HG3  ARG  10           HG1      ARG  10  11.037 -12.570   5.725
   74    HD2  ARG  10           HD2      ARG  10  11.464 -10.409   6.828
   75    HD3  ARG  10           HD1      ARG  10  10.009 -10.633   7.797
   76    HE   ARG  10           HE       ARG  10  11.611 -12.876   8.168
   77   HH11  ARG  10          HH11      ARG  10  11.726  -9.453   8.812
   78   HH12  ARG  10          HH12      ARG  10  12.735  -9.620  10.210
   79   HH21  ARG  10          HH21      ARG  10  12.939 -13.105  10.004
   80   HH22  ARG  10          HH22      ARG  10  13.426 -11.697  10.887
   81    H    GLY  11           HN       GLY  11   7.816 -10.995   8.069
   82    HA2  GLY  11           HA2      GLY  11   8.240  -9.371   9.724
   83    HA3  GLY  11           HA1      GLY  11   8.349  -8.149   8.465
   84    H    ARG  12           HN       ARG  12   6.610  -8.980  11.040
   85    HA   ARG  12           HA       ARG  12   3.944  -8.981  10.348
   86    HB2  ARG  12           HB2      ARG  12   5.133  -9.198  12.656
   87    HB3  ARG  12           HB1      ARG  12   4.885  -7.460  12.750
   88    HG2  ARG  12           HG2      ARG  12   3.078  -8.492  13.878
   89    HG3  ARG  12           HG1      ARG  12   2.451  -7.876  12.348
   90    HD2  ARG  12           HD2      ARG  12   2.491 -10.061  11.377
   91    HD3  ARG  12           HD1      ARG  12   3.338 -10.721  12.776
   92    HE   ARG  12           HE       ARG  12   1.181  -9.974  13.996
   93   HH11  ARG  12          HH11      ARG  12   1.355 -11.253  10.758
   94   HH12  ARG  12          HH12      ARG  12  -0.227 -11.955  10.814
   95   HH21  ARG  12          HH21      ARG  12  -0.901 -10.894  14.077
   96   HH22  ARG  12          HH22      ARG  12  -1.510 -11.750  12.700
   97    H    GLU  13           HN       GLU  13   5.919  -6.149  11.062
   98    HA   GLU  13           HA       GLU  13   4.004  -4.178  10.819
   99    HB2  GLU  13           HB2      GLU  13   6.398  -3.863  11.525
  100    HB3  GLU  13           HB1      GLU  13   6.840  -3.893   9.822
  101    HG2  GLU  13           HG2      GLU  13   6.710  -1.633  10.387
  102    HG3  GLU  13           HG1      GLU  13   5.219  -1.983   9.514
  103    H    ASN  14           HN       ASN  14   5.941  -5.629   8.226
  104    HA   ASN  14           HA       ASN  14   4.888  -4.009   6.122
  105    HB2  ASN  14           HB2      ASN  14   6.188  -6.732   5.960
  106    HB3  ASN  14           HB1      ASN  14   5.980  -5.588   4.638
  107   HD21  ASN  14          HD21      ASN  14   8.432  -6.707   5.530
  108   HD22  ASN  14          HD22      ASN  14   9.427  -5.408   6.085
  109    H    PHE  15           HN       PHE  15   4.117  -7.253   7.356
  110    HA   PHE  15           HA       PHE  15   2.200  -7.871   5.414
  111    HB2  PHE  15           HB2      PHE  15   3.298  -9.534   6.872
  112    HB3  PHE  15           HB1      PHE  15   2.471  -8.859   8.268
  113    HD1  PHE  15           HD1      PHE  15   1.349  -9.899   4.859
  114    HD2  PHE  15           HD2      PHE  15   0.930 -10.322   9.075
  115    HE1  PHE  15           HE1      PHE  15  -0.480 -11.490   4.513
  116    HE2  PHE  15           HE2      PHE  15  -0.924 -11.907   8.728
  117    HZ   PHE  15           HZ       PHE  15  -1.624 -12.493   6.441
  118    H    GLU  16           HN       GLU  16   1.737  -6.574   8.716
  119    HA   GLU  16           HA       GLU  16  -1.022  -6.359   8.623
  120    HB2  GLU  16           HB2      GLU  16   0.945  -4.551  10.042
  121    HB3  GLU  16           HB1      GLU  16  -0.784  -4.597  10.361
  122    HG2  GLU  16           HG2      GLU  16   1.140  -6.880  10.741
  123    HG3  GLU  16           HG1      GLU  16   0.468  -5.866  12.016
  124    H    ILE  17           HN       ILE  17   1.381  -4.177   7.302
  125    HA   ILE  17           HA       ILE  17  -0.463  -2.021   6.775
  126    HB   ILE  17           HB       ILE  17   2.374  -2.534   6.205
  127   HG12  ILE  17          HG12      ILE  17   0.988   0.098   6.607
  128   HG13  ILE  17          HG11      ILE  17   1.222  -1.006   7.955
  129   HG21  ILE  17          HG21      ILE  17   2.511  -0.821   4.446
  130   HG22  ILE  17          HG22      ILE  17   0.749  -0.757   4.384
  131   HG23  ILE  17          HG23      ILE  17   1.596  -2.232   3.912
  132   HD11  ILE  17          HD11      ILE  17   2.939   0.765   7.757
  133   HD12  ILE  17          HD12      ILE  17   3.441   0.047   6.224
  134   HD13  ILE  17          HD13      ILE  17   3.595  -0.874   7.721
  135    H    LEU  18           HN       LEU  18   0.811  -4.784   4.967
  136    HA   LEU  18           HA       LEU  18  -0.449  -4.074   2.459
  137    HB2  LEU  18           HB2      LEU  18   1.181  -6.342   3.519
  138    HB3  LEU  18           HB1      LEU  18   0.265  -6.535   2.038
  139    HG   LEU  18           HG       LEU  18   1.969  -4.133   2.140
  140   HD11  LEU  18          HD11      LEU  18   4.031  -5.188   1.945
  141   HD12  LEU  18          HD12      LEU  18   3.304  -6.765   1.658
  142   HD13  LEU  18          HD13      LEU  18   3.261  -6.059   3.272
  143   HD21  LEU  18          HD21      LEU  18   1.292  -6.286   0.155
  144   HD22  LEU  18          HD22      LEU  18   2.517  -5.057  -0.159
  145   HD23  LEU  18          HD23      LEU  18   0.843  -4.581   0.121
  146    H    MET  19           HN       MET  19  -1.187  -6.022   5.285
  147    HA   MET  19           HA       MET  19  -3.288  -7.489   4.008
  148    HB2  MET  19           HB2      MET  19  -1.847  -8.038   6.209
  149    HB3  MET  19           HB1      MET  19  -3.164  -7.184   6.992
  150    HG2  MET  19           HG2      MET  19  -3.287  -9.738   5.427
  151    HG3  MET  19           HG1      MET  19  -3.641  -9.479   7.128
  152    HE1  MET  19           HE1      MET  19  -6.968 -10.524   5.109
  153    HE2  MET  19           HE2      MET  19  -5.860 -11.061   6.372
  154    HE3  MET  19           HE3      MET  19  -5.302 -10.944   4.702
  155    H    LYS  20           HN       LYS  20  -3.044  -4.555   5.976
  156    HA   LYS  20           HA       LYS  20  -5.876  -4.249   6.225
  157    HB2  LYS  20           HB2      LYS  20  -3.888  -3.151   7.569
  158    HB3  LYS  20           HB1      LYS  20  -3.950  -1.958   6.281
  159    HG2  LYS  20           HG2      LYS  20  -6.421  -2.703   7.792
  160    HG3  LYS  20           HG1      LYS  20  -5.275  -1.532   8.444
  161    HD2  LYS  20           HD2      LYS  20  -5.488  -0.293   6.252
  162    HD3  LYS  20           HD1      LYS  20  -6.841  -1.363   5.880
  163    HE2  LYS  20           HE2      LYS  20  -6.675   0.350   8.352
  164    HE3  LYS  20           HE1      LYS  20  -7.489   0.841   6.868
  165    HZ1  LYS  20           HZ1      LYS  20  -8.177  -1.523   8.530
  166    HZ2  LYS  20           HZ2      LYS  20  -8.948  -1.085   7.090
  167    HZ3  LYS  20           HZ3      LYS  20  -9.055  -0.079   8.445
  168    H    LEU  21           HN       LEU  21  -3.401  -3.560   3.905
  169    HA   LEU  21           HA       LEU  21  -4.997  -1.766   2.336
  170    HB2  LEU  21           HB2      LEU  21  -2.733  -1.370   2.015
  171    HB3  LEU  21           HB1      LEU  21  -2.332  -3.075   1.986
  172    HG   LEU  21           HG       LEU  21  -3.093  -3.308  -0.266
  173   HD11  LEU  21          HD11      LEU  21  -4.872  -2.154  -0.910
  174   HD12  LEU  21          HD12      LEU  21  -3.775  -0.805  -1.205
  175   HD13  LEU  21          HD13      LEU  21  -4.625  -0.932   0.334
  176   HD21  LEU  21          HD21      LEU  21  -1.466  -0.825   0.165
  177   HD22  LEU  21          HD22      LEU  21  -1.739  -1.531  -1.426
  178   HD23  LEU  21          HD23      LEU  21  -0.893  -2.455  -0.185
  179    H    LYS  22           HN       LYS  22  -4.160  -5.194   2.196
  180    HA   LYS  22           HA       LYS  22  -5.301  -5.831  -0.262
  181    HB2  LYS  22           HB2      LYS  22  -4.010  -7.522   0.697
  182    HB3  LYS  22           HB1      LYS  22  -4.739  -7.318   2.282
  183    HG2  LYS  22           HG2      LYS  22  -6.880  -8.225   1.137
  184    HG3  LYS  22           HG1      LYS  22  -5.758  -8.816  -0.088
  185    HD2  LYS  22           HD2      LYS  22  -4.819 -10.343   1.310
  186    HD3  LYS  22           HD1      LYS  22  -5.075  -9.346   2.745
  187    HE2  LYS  22           HE2      LYS  22  -7.170 -10.920   1.254
  188    HE3  LYS  22           HE1      LYS  22  -6.481 -11.320   2.827
  189    HZ1  LYS  22           HZ1      LYS  22  -7.499  -9.444   3.803
  190    HZ2  LYS  22           HZ2      LYS  22  -8.700 -10.186   2.872
  191    HZ3  LYS  22           HZ3      LYS  22  -7.935  -8.791   2.305
  192    H    GLU  23           HN       GLU  23  -6.625  -5.484   2.954
  193    HA   GLU  23           HA       GLU  23  -9.269  -6.337   2.359
  194    HB2  GLU  23           HB2      GLU  23  -8.316  -6.215   4.655
  195    HB3  GLU  23           HB1      GLU  23  -8.292  -4.466   4.526
  196    HG2  GLU  23           HG2      GLU  23 -10.442  -4.281   5.029
  197    HG3  GLU  23           HG1      GLU  23 -10.903  -5.614   3.973
  198    H    SER  24           HN       SER  24  -7.778  -3.084   2.499
  199    HA   SER  24           HA       SER  24 -10.064  -1.655   1.804
  200    HB2  SER  24           HB2      SER  24  -8.633   0.183   1.418
  201    HB3  SER  24           HB1      SER  24  -7.867  -0.768   2.687
  202    HG   SER  24           HG       SER  24  -6.422  -0.090   0.992
  203    H    LEU  25           HN       LEU  25  -7.561  -3.048  -0.330
  204    HA   LEU  25           HA       LEU  25  -8.627  -1.977  -2.771
  205    HB2  LEU  25           HB2      LEU  25  -6.623  -4.060  -2.023
  206    HB3  LEU  25           HB1      LEU  25  -7.278  -4.080  -3.648
  207    HG   LEU  25           HG       LEU  25  -5.989  -1.625  -2.469
  208   HD11  LEU  25          HD11      LEU  25  -4.707  -3.823  -4.086
  209   HD12  LEU  25          HD12      LEU  25  -4.352  -3.415  -2.407
  210   HD13  LEU  25          HD13      LEU  25  -3.963  -2.273  -3.693
  211   HD21  LEU  25          HD21      LEU  25  -5.890  -0.838  -4.678
  212   HD22  LEU  25          HD22      LEU  25  -7.509  -1.521  -4.513
  213   HD23  LEU  25          HD23      LEU  25  -6.247  -2.428  -5.351
  214    H    GLU  26           HN       GLU  26  -8.927  -5.096  -1.139
  215    HA   GLU  26           HA       GLU  26 -10.638  -6.136  -3.162
  216    HB2  GLU  26           HB2      GLU  26 -10.097  -7.084  -0.344
  217    HB3  GLU  26           HB1      GLU  26 -11.169  -7.936  -1.446
  218    HG2  GLU  26           HG2      GLU  26  -9.225  -8.070  -3.043
  219    HG3  GLU  26           HG1      GLU  26  -8.213  -7.489  -1.722
  220    H    LEU  27           HN       LEU  27 -11.220  -4.439  -0.128
  221    HA   LEU  27           HA       LEU  27 -14.047  -4.888  -0.114
  222    HB2  LEU  27           HB2      LEU  27 -12.179  -3.078   1.354
  223    HB3  LEU  27           HB1      LEU  27 -13.894  -2.720   1.374
  224    HG   LEU  27           HG       LEU  27 -12.703  -5.343   2.276
  225   HD11  LEU  27          HD11      LEU  27 -13.676  -3.008   3.916
  226   HD12  LEU  27          HD12      LEU  27 -11.993  -3.496   3.715
  227   HD13  LEU  27          HD13      LEU  27 -13.128  -4.564   4.540
  228   HD21  LEU  27          HD21      LEU  27 -14.910  -5.718   3.251
  229   HD22  LEU  27          HD22      LEU  27 -15.018  -5.498   1.504
  230   HD23  LEU  27          HD23      LEU  27 -15.470  -4.181   2.588
  231    H    MET  28           HN       MET  28 -11.956  -2.787  -1.847
  232    HA   MET  28           HA       MET  28 -13.891  -0.759  -2.253
  233    HB2  MET  28           HB2      MET  28 -11.388  -0.463  -2.602
  234    HB3  MET  28           HB1      MET  28 -11.567  -1.363  -4.103
  235    HG2  MET  28           HG2      MET  28 -13.411   0.440  -4.571
  236    HG3  MET  28           HG1      MET  28 -12.482   1.370  -3.406
  237    HE1  MET  28           HE1      MET  28 -10.488   2.507  -3.742
  238    HE2  MET  28           HE2      MET  28  -9.372   2.410  -5.107
  239    HE3  MET  28           HE3      MET  28  -9.434   1.104  -3.926
  240    H    GLU  29           HN       GLU  29 -13.764  -3.925  -3.356
  241    HA   GLU  29           HA       GLU  29 -15.067  -3.420  -5.912
  242    HB2  GLU  29           HB2      GLU  29 -14.611  -5.601  -6.414
  243    HB3  GLU  29           HB1      GLU  29 -13.299  -5.263  -5.295
  244    HG2  GLU  29           HG2      GLU  29 -14.723  -6.245  -3.478
  245    HG3  GLU  29           HG1      GLU  29 -15.850  -6.753  -4.734
  246    H    LEU  30           HN       LEU  30 -15.910  -4.044  -2.615
  247    HA   LEU  30           HA       LEU  30 -18.521  -5.120  -3.395
  248    HB2  LEU  30           HB2      LEU  30 -18.526  -6.308  -1.508
  249    HB3  LEU  30           HB1      LEU  30 -16.813  -5.964  -1.476
  250    HG   LEU  30           HG       LEU  30 -18.932  -4.458   0.046
  251   HD11  LEU  30          HD11      LEU  30 -18.509  -6.764   0.839
  252   HD12  LEU  30          HD12      LEU  30 -18.038  -5.531   2.009
  253   HD13  LEU  30          HD13      LEU  30 -16.807  -6.347   1.042
  254   HD21  LEU  30          HD21      LEU  30 -15.944  -4.171  -0.019
  255   HD22  LEU  30          HD22      LEU  30 -16.970  -3.480   1.234
  256   HD23  LEU  30          HD23      LEU  30 -17.147  -2.952  -0.439
  257    H    VAL  31           HN       VAL  31 -17.305  -2.253  -3.221
  258    HA   VAL  31           HA       VAL  31 -19.523  -1.026  -1.740
  259    HB   VAL  31           HB       VAL  31 -17.438  -0.097  -1.037
  260   HG11  VAL  31          HG11      VAL  31 -15.869   0.971  -2.598
  261   HG12  VAL  31          HG12      VAL  31 -16.851   0.406  -3.950
  262   HG13  VAL  31          HG13      VAL  31 -16.043  -0.757  -2.900
  263   HG21  VAL  31          HG21      VAL  31 -17.683   2.297  -2.096
  264   HG22  VAL  31          HG22      VAL  31 -18.914   1.650  -1.014
  265   HG23  VAL  31          HG23      VAL  31 -19.165   1.612  -2.758
  266    HA   PRO  32           HA       PRO  32 -21.783  -0.550  -5.563
  267    HB2  PRO  32           HB2      PRO  32 -22.500   2.003  -4.153
  268    HB3  PRO  32           HB1      PRO  32 -23.545   0.886  -5.040
  269    HG2  PRO  32           HG2      PRO  32 -23.437   0.854  -2.365
  270    HG3  PRO  32           HG1      PRO  32 -23.621  -0.638  -3.303
  271    HD2  PRO  32           HD2      PRO  32 -21.286   0.352  -1.789
  272    HD3  PRO  32           HD1      PRO  32 -21.700  -1.307  -2.268
  273    H    GLN  33           HN       GLN  33 -20.944   0.150  -7.415
  274    HA   GLN  33           HA       GLN  33 -18.719   1.738  -7.684
  275    HB2  GLN  33           HB2      GLN  33 -19.490   0.204  -9.413
  276    HB3  GLN  33           HB1      GLN  33 -20.877   1.234  -9.734
  277    HG2  GLN  33           HG2      GLN  33 -19.411   3.011 -10.494
  278    HG3  GLN  33           HG1      GLN  33 -17.999   2.023 -10.121
  279   HE21  GLN  33          HE21      GLN  33 -20.693   2.490 -12.265
  280   HE22  GLN  33          HE22      GLN  33 -20.142   1.435 -13.518
  281    HA   PRO  34           HA       PRO  34 -21.618   5.452  -8.966
  282    HB2  PRO  34           HB2      PRO  34 -23.865   4.969  -7.079
  283    HB3  PRO  34           HB1      PRO  34 -23.900   5.589  -8.733
  284    HG2  PRO  34           HG2      PRO  34 -24.689   3.100  -8.187
  285    HG3  PRO  34           HG1      PRO  34 -23.790   3.473  -9.670
  286    HD2  PRO  34           HD2      PRO  34 -22.829   2.205  -7.137
  287    HD3  PRO  34           HD1      PRO  34 -22.411   1.822  -8.819
  288    H    LEU  35           HN       LEU  35 -21.383   4.040  -5.774
  289    HA   LEU  35           HA       LEU  35 -21.349   6.549  -4.367
  290    HB2  LEU  35           HB2      LEU  35 -22.283   4.489  -3.377
  291    HB3  LEU  35           HB1      LEU  35 -20.707   3.734  -3.468
  292    HG   LEU  35           HG       LEU  35 -19.831   5.268  -1.821
  293   HD11  LEU  35          HD11      LEU  35 -21.125   7.250  -2.406
  294   HD12  LEU  35          HD12      LEU  35 -21.245   6.888  -0.684
  295   HD13  LEU  35          HD13      LEU  35 -22.581   6.488  -1.764
  296   HD21  LEU  35          HD21      LEU  35 -22.461   4.114  -0.925
  297   HD22  LEU  35          HD22      LEU  35 -21.093   4.529   0.108
  298   HD23  LEU  35          HD23      LEU  35 -20.947   3.221  -1.065
  299    H    VAL  36           HN       VAL  36 -19.036   4.326  -5.740
  300    HA   VAL  36           HA       VAL  36 -16.730   5.377  -4.401
  301    HB   VAL  36           HB       VAL  36 -17.064   3.727  -6.909
  302   HG11  VAL  36          HG11      VAL  36 -14.572   3.448  -6.831
  303   HG12  VAL  36          HG12      VAL  36 -14.522   4.800  -5.699
  304   HG13  VAL  36          HG13      VAL  36 -15.123   5.044  -7.339
  305   HG21  VAL  36          HG21      VAL  36 -16.037   1.976  -5.572
  306   HG22  VAL  36          HG22      VAL  36 -17.462   2.618  -4.756
  307   HG23  VAL  36          HG23      VAL  36 -15.850   3.094  -4.221
  308    H    ASP  37           HN       ASP  37 -18.283   5.931  -7.533
  309    HA   ASP  37           HA       ASP  37 -16.511   7.816  -8.588
  310    HB2  ASP  37           HB2      ASP  37 -19.506   7.543  -8.914
  311    HB3  ASP  37           HB1      ASP  37 -18.510   8.631  -9.875
  312    H    SER  38           HN       SER  38 -19.362   8.232  -6.473
  313    HA   SER  38           HA       SER  38 -19.327  10.998  -6.397
  314    HB2  SER  38           HB2      SER  38 -20.204   8.989  -4.318
  315    HB3  SER  38           HB1      SER  38 -20.492  10.722  -4.163
  316    HG   SER  38           HG       SER  38 -21.269   9.921  -6.588
  317    H    TYR  39           HN       TYR  39 -17.641   8.649  -4.348
  318    HA   TYR  39           HA       TYR  39 -16.445  10.426  -2.551
  319    HB2  TYR  39           HB2      TYR  39 -16.236   8.228  -1.869
  320    HB3  TYR  39           HB1      TYR  39 -15.831   7.655  -3.485
  321    HD1  TYR  39           HD2      TYR  39 -14.487   9.496  -0.562
  322    HD2  TYR  39           HD1      TYR  39 -13.578   7.407  -4.156
  323    HE1  TYR  39           HE2      TYR  39 -12.102   9.543   0.018
  324    HE2  TYR  39           HE1      TYR  39 -11.198   7.464  -3.594
  325    HH   TYR  39           HH       TYR  39  -9.654   8.776  -2.210
  326    H    ARG  40           HN       ARG  40 -15.288   9.147  -5.642
  327    HA   ARG  40           HA       ARG  40 -12.756  10.198  -5.678
  328    HB2  ARG  40           HB2      ARG  40 -14.732   9.588  -7.845
  329    HB3  ARG  40           HB1      ARG  40 -13.168  10.288  -8.244
  330    HG2  ARG  40           HG2      ARG  40 -12.025   8.419  -7.265
  331    HG3  ARG  40           HG1      ARG  40 -13.550   7.744  -6.687
  332    HD2  ARG  40           HD2      ARG  40 -14.304   7.514  -9.020
  333    HD3  ARG  40           HD1      ARG  40 -12.747   8.135  -9.568
  334    HE   ARG  40           HE       ARG  40 -12.378   5.903  -7.869
  335   HH11  ARG  40          HH11      ARG  40 -13.408   6.749 -11.090
  336   HH12  ARG  40          HH12      ARG  40 -12.938   5.230 -11.776
  337   HH21  ARG  40          HH21      ARG  40 -11.758   3.902  -8.765
  338   HH22  ARG  40          HH22      ARG  40 -12.001   3.611 -10.455
  339    H    GLN  41           HN       GLN  41 -15.766  11.692  -6.747
  340    HA   GLN  41           HA       GLN  41 -14.700  14.089  -7.711
  341    HB2  GLN  41           HB2      GLN  41 -17.026  13.437  -8.122
  342    HB3  GLN  41           HB1      GLN  41 -17.399  13.632  -6.415
  343    HG2  GLN  41           HG2      GLN  41 -16.946  16.012  -6.569
  344    HG3  GLN  41           HG1      GLN  41 -16.518  15.832  -8.269
  345   HE21  GLN  41          HE21      GLN  41 -18.135  15.479  -9.784
  346   HE22  GLN  41          HE22      GLN  41 -19.805  15.745  -9.432
  347    H    GLN  42           HN       GLN  42 -15.826  13.215  -4.466
  348    HA   GLN  42           HA       GLN  42 -15.475  15.697  -3.222
  349    HB2  GLN  42           HB2      GLN  42 -16.684  13.772  -2.226
  350    HB3  GLN  42           HB1      GLN  42 -15.142  12.962  -1.980
  351    HG2  GLN  42           HG2      GLN  42 -15.815  13.948   0.082
  352    HG3  GLN  42           HG1      GLN  42 -14.438  14.852  -0.545
  353   HE21  GLN  42          HE21      GLN  42 -14.950  16.680   0.644
  354   HE22  GLN  42          HE22      GLN  42 -16.290  17.695   0.248
  355    H    GLN  43           HN       GLN  43 -13.195  13.223  -4.104
  356    HA   GLN  43           HA       GLN  43 -11.056  14.465  -2.571
  357    HB2  GLN  43           HB2      GLN  43 -11.076  12.046  -2.630
  358    HB3  GLN  43           HB1      GLN  43 -11.104  12.050  -4.388
  359    HG2  GLN  43           HG2      GLN  43  -8.896  11.506  -3.549
  360    HG3  GLN  43           HG1      GLN  43  -8.877  13.028  -4.435
  361   HE21  GLN  43          HE21      GLN  43  -7.007  13.722  -3.415
  362   HE22  GLN  43          HE22      GLN  43  -6.990  14.239  -1.767
  363    H    GLN  44           HN       GLN  44 -12.376  14.438  -5.739
  364    HA   GLN  44           HA       GLN  44 -10.114  15.233  -7.221
  365    HB2  GLN  44           HB2      GLN  44 -12.477  14.417  -8.005
  366    HB3  GLN  44           HB1      GLN  44 -12.883  16.124  -7.934
  367    HG2  GLN  44           HG2      GLN  44 -12.196  15.335 -10.179
  368    HG3  GLN  44           HG1      GLN  44 -11.238  16.674  -9.553
  369   HE21  GLN  44          HE21      GLN  44 -10.864  13.334  -8.526
  370   HE22  GLN  44          HE22      GLN  44  -9.300  13.106  -9.217
  371    H    LEU  45           HN       LEU  45 -12.342  16.937  -5.167
  372    HA   LEU  45           HA       LEU  45 -11.949  19.557  -6.025
  373    HB2  LEU  45           HB2      LEU  45 -13.067  20.176  -4.154
  374    HB3  LEU  45           HB1      LEU  45 -13.417  18.462  -4.076
  375    HG   LEU  45           HG       LEU  45 -11.194  18.440  -2.609
  376   HD11  LEU  45          HD11      LEU  45 -10.705  20.805  -2.875
  377   HD12  LEU  45          HD12      LEU  45 -11.087  20.441  -1.193
  378   HD13  LEU  45          HD13      LEU  45 -12.287  21.224  -2.220
  379   HD21  LEU  45          HD21      LEU  45 -12.547  18.319  -0.706
  380   HD22  LEU  45          HD22      LEU  45 -13.607  17.827  -2.027
  381   HD23  LEU  45          HD23      LEU  45 -13.727  19.454  -1.361
  382    H    LEU  46           HN       LEU  46  -9.899  17.460  -4.122
  383    HA   LEU  46           HA       LEU  46  -7.671  19.257  -4.497
  384    HB2  LEU  46           HB2      LEU  46  -8.849  20.027  -2.404
  385    HB3  LEU  46           HB1      LEU  46  -8.437  18.482  -1.687
  386    HG   LEU  46           HG       LEU  46  -6.203  20.074  -2.822
  387   HD11  LEU  46          HD11      LEU  46  -6.027  21.468  -0.856
  388   HD12  LEU  46          HD12      LEU  46  -7.498  20.760  -0.187
  389   HD13  LEU  46          HD13      LEU  46  -7.580  21.750  -1.644
  390   HD21  LEU  46          HD21      LEU  46  -5.037  19.160  -0.886
  391   HD22  LEU  46          HD22      LEU  46  -5.826  17.882  -1.809
  392   HD23  LEU  46          HD23      LEU  46  -6.543  18.453  -0.303
  393    H    GLN  47           HN       GLN  47  -6.703  17.607  -5.641
  394    HA   GLN  47           HA       GLN  47  -6.265  15.028  -4.355
  395    HB2  GLN  47           HB2      GLN  47  -6.817  15.563  -6.896
  396    HB3  GLN  47           HB1      GLN  47  -5.072  15.746  -6.994
  397    HG2  GLN  47           HG2      GLN  47  -6.409  13.296  -5.888
  398    HG3  GLN  47           HG1      GLN  47  -5.972  13.484  -7.585
  399   HE21  GLN  47          HE21      GLN  47  -4.808  13.009  -4.354
  400   HE22  GLN  47          HE22      GLN  47  -3.175  12.636  -4.779
  401    H    ARG  48           HN       ARG  48  -5.061  16.878  -2.862
  402    HA   ARG  48           HA       ARG  48  -2.217  16.404  -3.389
  403    HB2  ARG  48           HB2      ARG  48  -3.409  19.061  -2.581
  404    HB3  ARG  48           HB1      ARG  48  -1.689  18.705  -2.627
  405    HG2  ARG  48           HG2      ARG  48  -1.801  18.346  -5.018
  406    HG3  ARG  48           HG1      ARG  48  -3.542  18.629  -4.994
  407    HD2  ARG  48           HD2      ARG  48  -1.411  20.622  -4.231
  408    HD3  ARG  48           HD1      ARG  48  -2.326  20.615  -5.738
  409    HE   ARG  48           HE       ARG  48  -4.161  20.682  -3.649
  410   HH11  ARG  48          HH11      ARG  48  -1.644  22.698  -4.970
  411   HH12  ARG  48          HH12      ARG  48  -2.394  24.179  -4.478
  412   HH21  ARG  48          HH21      ARG  48  -5.155  22.626  -2.997
  413   HH22  ARG  48          HH22      ARG  48  -4.390  24.138  -3.356
  414    H    ASP   1           HT1      ASP   1   5.442 -14.447  16.526
  415    HA   ASP   1           HA       ASP   1   5.623 -15.777  13.886
  416    HB2  ASP   1           HB2      ASP   1   3.224 -14.762  15.431
  417    HB3  ASP   1           HB1      ASP   1   3.182 -15.378  13.781
  418    H    GLU   2           HN       GLU   2   6.716 -14.290  12.719
  419    HA   GLU   2           HA       GLU   2   5.400 -11.870  12.010
  420    HB2  GLU   2           HB2      GLU   2   7.137 -10.296  12.764
  421    HB3  GLU   2           HB1      GLU   2   6.333 -11.083  14.115
  422    HG2  GLU   2           HG2      GLU   2   8.222 -12.616  14.346
  423    HG3  GLU   2           HG1      GLU   2   9.028 -11.819  12.995
  424    H    ASP   3           HN       ASP   3   7.134 -14.392  11.203
  425    HA   ASP   3           HA       ASP   3   9.157 -13.231   9.531
  426    HB2  ASP   3           HB2      ASP   3   8.015 -16.033   9.492
  427    HB3  ASP   3           HB1      ASP   3   9.501 -15.506   8.709
  428    H    THR   4           HN       THR   4   8.429 -15.186   7.278
  429    HA   THR   4           HA       THR   4   7.004 -13.270   5.730
  430    HB   THR   4           HB       THR   4   7.105 -15.980   4.638
  431    HG1  THR   4           HG1      THR   4   9.584 -14.735   4.623
  432   HG21  THR   4          HG21      THR   4   8.037 -14.773   2.693
  433   HG22  THR   4          HG22      THR   4   8.051 -13.290   3.652
  434   HG23  THR   4          HG23      THR   4   6.518 -14.069   3.254
  435    H    TYR   5           HN       TYR   5   5.028 -13.347   4.894
  436    HA   TYR   5           HA       TYR   5   3.073 -15.111   6.214
  437    HB2  TYR   5           HB2      TYR   5   3.049 -12.160   5.766
  438    HB3  TYR   5           HB1      TYR   5   1.570 -13.078   6.034
  439    HD1  TYR   5           HD1      TYR   5   1.416 -14.480   8.161
  440    HD2  TYR   5           HD2      TYR   5   4.346 -11.456   7.574
  441    HE1  TYR   5           HE1      TYR   5   1.759 -14.352  10.590
  442    HE2  TYR   5           HE2      TYR   5   4.697 -11.314  10.002
  443    HH   TYR   5           HH       TYR   5   3.489 -13.649  12.166
  444    H    TYR   6           HN       TYR   6   1.021 -15.284   4.918
  445    HA   TYR   6           HA       TYR   6   1.514 -14.714   2.073
  446    HB2  TYR   6           HB2      TYR   6  -0.417 -16.812   3.089
  447    HB3  TYR   6           HB1      TYR   6   0.217 -16.629   1.461
  448    HD1  TYR   6           HD1      TYR   6   3.128 -16.237   2.200
  449    HD2  TYR   6           HD2      TYR   6   0.230 -19.048   3.535
  450    HE1  TYR   6           HE1      TYR   6   4.924 -17.830   2.703
  451    HE2  TYR   6           HE2      TYR   6   2.020 -20.655   4.049
  452    HH   TYR   6           HH       TYR   6   4.335 -21.111   3.384
  453    H    LEU   7           HN       LEU   7   0.241 -13.417   1.051
  454    HA   LEU   7           HA       LEU   7  -2.163 -12.383   2.431
  455    HB2  LEU   7           HB2      LEU   7   0.143 -11.125   1.550
  456    HB3  LEU   7           HB1      LEU   7  -0.993 -10.814   0.267
  457    HG   LEU   7           HG       LEU   7  -2.093  -9.255   1.448
  458   HD11  LEU   7          HD11      LEU   7  -1.918  -9.490   4.143
  459   HD12  LEU   7          HD12      LEU   7  -1.976 -11.183   3.638
  460   HD13  LEU   7          HD13      LEU   7  -3.263 -10.079   3.161
  461   HD21  LEU   7          HD21      LEU   7   0.251  -8.629   1.533
  462   HD22  LEU   7          HD22      LEU   7   0.420  -9.448   3.085
  463   HD23  LEU   7          HD23      LEU   7  -0.623  -8.031   2.944
  464    H    GLN   8           HN       GLN   8  -3.979 -13.239   1.456
  465    HA   GLN   8           HA       GLN   8  -3.796 -13.937  -1.334
  466    HB2  GLN   8           HB2      GLN   8  -5.127 -15.099   0.721
  467    HB3  GLN   8           HB1      GLN   8  -6.411 -14.148  -0.011
  468    HG2  GLN   8           HG2      GLN   8  -5.519 -15.236  -2.216
  469    HG3  GLN   8           HG1      GLN   8  -4.897 -16.451  -1.103
  470   HE21  GLN   8          HE21      GLN   8  -7.260 -15.898   0.708
  471   HE22  GLN   8          HE22      GLN   8  -8.566 -16.752  -0.025
  472    H    VAL   9           HN       VAL   9  -4.191 -12.532  -2.849
  473    HA   VAL   9           HA       VAL   9  -6.044 -10.365  -2.237
  474    HB   VAL   9           HB       VAL   9  -3.383 -10.193  -3.632
  475   HG11  VAL   9          HG11      VAL   9  -3.926  -7.822  -4.105
  476   HG12  VAL   9          HG12      VAL   9  -5.596  -8.156  -3.646
  477   HG13  VAL   9          HG13      VAL   9  -4.881  -8.974  -5.036
  478   HG21  VAL   9          HG21      VAL   9  -3.464  -9.994  -1.169
  479   HG22  VAL   9          HG22      VAL   9  -4.524  -8.595  -1.350
  480   HG23  VAL   9          HG23      VAL   9  -2.873  -8.537  -1.967
  481    H    ARG  10           HN       ARG  10  -7.642 -10.045  -3.646
  482    HA   ARG  10           HA       ARG  10  -7.623 -11.746  -6.036
  483    HB2  ARG  10           HB2      ARG  10  -9.502 -11.776  -4.240
  484    HB3  ARG  10           HB1      ARG  10 -10.038 -10.281  -4.993
  485    HG2  ARG  10           HG2      ARG  10  -9.587 -12.714  -6.663
  486    HG3  ARG  10           HG1      ARG  10 -11.070 -12.542  -5.723
  487    HD2  ARG  10           HD2      ARG  10 -11.490 -10.381  -6.827
  488    HD3  ARG  10           HD1      ARG  10 -10.036 -10.610  -7.797
  489    HE   ARG  10           HE       ARG  10 -11.646 -12.848  -8.165
  490   HH11  ARG  10          HH11      ARG  10 -11.753  -9.425  -8.812
  491   HH12  ARG  10          HH12      ARG  10 -12.761  -9.591 -10.210
  492   HH21  ARG  10          HH21      ARG  10 -12.971 -13.075 -10.004
  493   HH22  ARG  10          HH22      ARG  10 -13.454 -11.666 -10.887
  494    H    GLY  11           HN       GLY  11  -7.844 -10.978  -8.068
  495    HA2  GLY  11           HA2      GLY  11  -8.264  -9.354  -9.725
  496    HA3  GLY  11           HA1      GLY  11  -8.370  -8.131  -8.467
  497    H    ARG  12           HN       ARG  12  -6.634  -8.968 -11.041
  498    HA   ARG  12           HA       ARG  12  -3.967  -8.976 -10.348
  499    HB2  ARG  12           HB2      ARG  12  -5.156  -9.191 -12.656
  500    HB3  ARG  12           HB1      ARG  12  -4.903  -7.454 -12.751
  501    HG2  ARG  12           HG2      ARG  12  -3.100  -8.491 -13.878
  502    HG3  ARG  12           HG1      ARG  12  -2.471  -7.876 -12.348
  503    HD2  ARG  12           HD2      ARG  12  -2.517 -10.061 -11.377
  504    HD3  ARG  12           HD1      ARG  12  -3.365 -10.719 -12.776
  505    HE   ARG  12           HE       ARG  12  -1.207  -9.979 -13.995
  506   HH11  ARG  12          HH11      ARG  12  -1.383 -11.254 -10.757
  507   HH12  ARG  12          HH12      ARG  12   0.197 -11.960 -10.812
  508   HH21  ARG  12          HH21      ARG  12   0.873 -10.905 -14.075
  509   HH22  ARG  12          HH22      ARG  12   1.480 -11.761 -12.697
  510    H    GLU  13           HN       GLU  13  -5.933  -6.139 -11.064
  511    HA   GLU  13           HA       GLU  13  -4.014  -4.173 -10.823
  512    HB2  GLU  13           HB2      GLU  13  -6.406  -3.853 -11.527
  513    HB3  GLU  13           HB1      GLU  13  -6.848  -3.880  -9.825
  514    HG2  GLU  13           HG2      GLU  13  -6.713  -1.621 -10.392
  515    HG3  GLU  13           HG1      GLU  13  -5.223  -1.974  -9.518
  516    H    ASN  14           HN       ASN  14  -5.955  -5.616  -8.228
  517    HA   ASN  14           HA       ASN  14  -4.897  -3.998  -6.126
  518    HB2  ASN  14           HB2      ASN  14  -6.204  -6.718  -5.963
  519    HB3  ASN  14           HB1      ASN  14  -5.993  -5.574  -4.641
  520   HD21  ASN  14          HD21      ASN  14  -8.448  -6.686  -5.531
  521   HD22  ASN  14          HD22      ASN  14  -9.439  -5.385  -6.087
  522    H    PHE  15           HN       PHE  15  -4.135  -7.246  -7.357
  523    HA   PHE  15           HA       PHE  15  -2.220  -7.868  -5.414
  524    HB2  PHE  15           HB2      PHE  15  -3.322  -9.528  -6.873
  525    HB3  PHE  15           HB1      PHE  15  -2.493  -8.856  -8.268
  526    HD1  PHE  15           HD1      PHE  15  -1.375  -9.899  -4.858
  527    HD2  PHE  15           HD2      PHE  15  -0.957 -10.324  -9.075
  528    HE1  PHE  15           HE1      PHE  15   0.451 -11.495  -4.512
  529    HE2  PHE  15           HE2      PHE  15   0.894 -11.914  -8.727
  530    HZ   PHE  15           HZ       PHE  15   1.592 -12.501  -6.440
  531    H    GLU  16           HN       GLU  16  -1.753  -6.573  -8.716
  532    HA   GLU  16           HA       GLU  16   1.006  -6.366  -8.625
  533    HB2  GLU  16           HB2      GLU  16  -0.956  -4.554 -10.043
  534    HB3  GLU  16           HB1      GLU  16   0.772  -4.603 -10.363
  535    HG2  GLU  16           HG2      GLU  16  -1.157  -6.882 -10.741
  536    HG3  GLU  16           HG1      GLU  16  -0.483  -5.870 -12.017
  537    H    ILE  17           HN       ILE  17  -1.390  -4.176  -7.305
  538    HA   ILE  17           HA       ILE  17   0.459  -2.025  -6.779
  539    HB   ILE  17           HB       ILE  17  -2.380  -2.530  -6.209
  540   HG12  ILE  17          HG12      ILE  17  -0.988   0.099  -6.613
  541   HG13  ILE  17          HG11      ILE  17  -1.224  -1.005  -7.961
  542   HG21  ILE  17          HG21      ILE  17  -2.512  -0.817  -4.451
  543   HG22  ILE  17          HG22      ILE  17  -0.750  -0.756  -4.389
  544   HG23  ILE  17          HG23      ILE  17  -1.601  -2.230  -3.917
  545   HD11  ILE  17          HD11      ILE  17  -2.938   0.771  -7.762
  546   HD12  ILE  17          HD12      ILE  17  -3.441   0.055  -6.229
  547   HD13  ILE  17          HD13      ILE  17  -3.597  -0.867  -7.726
  548    H    LEU  18           HN       LEU  18  -0.822  -4.784  -4.971
  549    HA   LEU  18           HA       LEU  18   0.440  -4.077  -2.463
  550    HB2  LEU  18           HB2      LEU  18  -1.197  -6.341  -3.520
  551    HB3  LEU  18           HB1      LEU  18  -0.281  -6.535  -2.039
  552    HG   LEU  18           HG       LEU  18  -1.978  -4.129  -2.142
  553   HD11  LEU  18          HD11      LEU  18  -4.043  -5.176  -1.947
  554   HD12  LEU  18          HD12      LEU  18  -3.322  -6.756  -1.659
  555   HD13  LEU  18          HD13      LEU  18  -3.277  -6.051  -3.273
  556   HD21  LEU  18          HD21      LEU  18  -1.308  -6.283  -0.157
  557   HD22  LEU  18          HD22      LEU  18  -2.529  -5.051   0.156
  558   HD23  LEU  18          HD23      LEU  18  -0.854  -4.580  -0.123
  559    H    MET  19           HN       MET  19   1.172  -6.027  -5.287
  560    HA   MET  19           HA       MET  19   3.269  -7.498  -4.009
  561    HB2  MET  19           HB2      MET  19   1.826  -8.045  -6.208
  562    HB3  MET  19           HB1      MET  19   3.144  -7.195  -6.993
  563    HG2  MET  19           HG2      MET  19   3.262  -9.749  -5.427
  564    HG3  MET  19           HG1      MET  19   3.616  -9.491  -7.127
  565    HE1  MET  19           HE1      MET  19   6.940 -10.544  -5.108
  566    HE2  MET  19           HE2      MET  19   5.831 -11.079  -6.371
  567    HE3  MET  19           HE3      MET  19   5.274 -10.960  -4.701
  568    H    LYS  20           HN       LYS  20   3.034  -4.566  -5.979
  569    HA   LYS  20           HA       LYS  20   5.867  -4.268  -6.228
  570    HB2  LYS  20           HB2      LYS  20   3.880  -3.164  -7.571
  571    HB3  LYS  20           HB1      LYS  20   3.947  -1.971  -6.283
  572    HG2  LYS  20           HG2      LYS  20   6.415  -2.723  -7.795
  573    HG3  LYS  20           HG1      LYS  20   5.271  -1.549  -8.448
  574    HD2  LYS  20           HD2      LYS  20   5.488  -0.310  -6.257
  575    HD3  LYS  20           HD1      LYS  20   6.838  -1.383  -5.883
  576    HE2  LYS  20           HE2      LYS  20   6.678   0.329  -8.357
  577    HE3  LYS  20           HE1      LYS  20   7.492   0.818  -6.873
  578    HZ1  LYS  20           HZ1      LYS  20   8.174  -1.549  -8.534
  579    HZ2  LYS  20           HZ2      LYS  20   8.946  -1.112  -7.094
  580    HZ3  LYS  20           HZ3      LYS  20   9.056  -0.107  -8.450
  581    H    LEU  21           HN       LEU  21   3.393  -3.571  -3.908
  582    HA   LEU  21           HA       LEU  21   4.993  -1.780  -2.340
  583    HB2  LEU  21           HB2      LEU  21   2.729  -1.378  -2.020
  584    HB3  LEU  21           HB1      LEU  21   2.325  -3.083  -1.989
  585    HG   LEU  21           HG       LEU  21   3.085  -3.316   0.262
  586   HD11  LEU  21          HD11      LEU  21   4.868  -2.166   0.905
  587   HD12  LEU  21          HD12      LEU  21   3.774  -0.815   1.201
  588   HD13  LEU  21          HD13      LEU  21   4.623  -0.944  -0.339
  589   HD21  LEU  21          HD21      LEU  21   1.464  -0.829  -0.170
  590   HD22  LEU  21          HD22      LEU  21   1.736  -1.535   1.422
  591   HD23  LEU  21          HD23      LEU  21   0.887  -2.458   0.181
  592    H    LYS  22           HN       LYS  22   4.147  -5.205  -2.199
  593    HA   LYS  22           HA       LYS  22   5.286  -5.844   0.260
  594    HB2  LYS  22           HB2      LYS  22   3.991  -7.532  -0.696
  595    HB3  LYS  22           HB1      LYS  22   4.719  -7.332  -2.282
  596    HG2  LYS  22           HG2      LYS  22   6.859  -8.243  -1.137
  597    HG3  LYS  22           HG1      LYS  22   5.735  -8.831   0.088
  598    HD2  LYS  22           HD2      LYS  22   4.792 -10.356  -1.309
  599    HD3  LYS  22           HD1      LYS  22   5.051  -9.360  -2.744
  600    HE2  LYS  22           HE2      LYS  22   7.142 -10.939  -1.252
  601    HE3  LYS  22           HE1      LYS  22   6.452 -11.338  -2.825
  602    HZ1  LYS  22           HZ1      LYS  22   7.475  -9.465  -3.802
  603    HZ2  LYS  22           HZ2      LYS  22   8.674 -10.209  -2.870
  604    HZ3  LYS  22           HZ3      LYS  22   7.911  -8.812  -2.303
  605    H    GLU  23           HN       GLU  23   6.611  -5.503  -2.957
  606    HA   GLU  23           HA       GLU  23   9.253  -6.362  -2.361
  607    HB2  GLU  23           HB2      GLU  23   8.299  -6.237  -4.658
  608    HB3  GLU  23           HB1      GLU  23   8.282  -4.488  -4.528
  609    HG2  GLU  23           HG2      GLU  23  10.431  -4.310  -5.031
  610    HG3  GLU  23           HG1      GLU  23  10.889  -5.643  -3.974
  611    H    SER  24           HN       SER  24   7.770  -3.104  -2.501
  612    HA   SER  24           HA       SER  24  10.059  -1.681  -1.807
  613    HB2  SER  24           HB2      SER  24   8.634   0.161  -1.422
  614    HB3  SER  24           HB1      SER  24   7.864  -0.788  -2.690
  615    HG   SER  24           HG       SER  24   6.421  -0.107  -0.997
  616    H    LEU  25           HN       LEU  25   7.553  -3.067   0.327
  617    HA   LEU  25           HA       LEU  25   8.623  -1.997   2.767
  618    HB2  LEU  25           HB2      LEU  25   6.613  -4.076   2.021
  619    HB3  LEU  25           HB1      LEU  25   7.268  -4.096   3.646
  620    HG   LEU  25           HG       LEU  25   5.986  -1.638   2.466
  621   HD11  LEU  25          HD11      LEU  25   4.697  -3.832   4.084
  622   HD12  LEU  25          HD12      LEU  25   4.344  -3.424   2.405
  623   HD13  LEU  25          HD13      LEU  25   3.957  -2.280   3.690
  624   HD21  LEU  25          HD21      LEU  25   5.889  -0.851   4.676
  625   HD22  LEU  25          HD22      LEU  25   7.506  -1.539   4.511
  626   HD23  LEU  25          HD23      LEU  25   6.241  -2.442   5.348
  627    H    GLU  26           HN       GLU  26   8.913  -5.119   1.138
  628    HA   GLU  26           HA       GLU  26  10.621  -6.162   3.161
  629    HB2  GLU  26           HB2      GLU  26  10.080  -7.110   0.343
  630    HB3  GLU  26           HB1      GLU  26  11.149  -7.964   1.447
  631    HG2  GLU  26           HG2      GLU  26   9.204  -8.092   3.043
  632    HG3  GLU  26           HG1      GLU  26   8.194  -7.508   1.720
  633    H    LEU  27           HN       LEU  27  11.208  -4.468   0.126
  634    HA   LEU  27           HA       LEU  27  14.035  -4.925   0.112
  635    HB2  LEU  27           HB2      LEU  27  12.172  -3.110  -1.356
  636    HB3  LEU  27           HB1      LEU  27  13.888  -2.757  -1.376
  637    HG   LEU  27           HG       LEU  27  12.689  -5.377  -2.277
  638   HD11  LEU  27          HD11      LEU  27  13.668  -3.046  -3.918
  639   HD12  LEU  27          HD12      LEU  27  11.984  -3.528  -3.717
  640   HD13  LEU  27          HD13      LEU  27  13.116  -4.600  -4.541
  641   HD21  LEU  27          HD21      LEU  27  14.894  -5.759  -3.252
  642   HD22  LEU  27          HD22      LEU  27  15.003  -5.539  -1.505
  643   HD23  LEU  27          HD23      LEU  27  15.459  -4.224  -2.590
  644    H    MET  28           HN       MET  28  11.949  -2.817   1.845
  645    HA   MET  28           HA       MET  28  13.890  -0.794   2.249
  646    HB2  MET  28           HB2      MET  28  11.389  -0.490   2.597
  647    HB3  MET  28           HB1      MET  28  11.564  -1.391   4.098
  648    HG2  MET  28           HG2      MET  28  13.414   0.407   4.565
  649    HG3  MET  28           HG1      MET  28  12.487   1.339   3.401
  650    HE1  MET  28           HE1      MET  28  10.494   2.483   3.740
  651    HE2  MET  28           HE2      MET  28   9.379   2.387   5.106
  652    HE3  MET  28           HE3      MET  28   9.438   1.082   3.923
  653    H    GLU  29           HN       GLU  29  13.754  -3.959   3.354
  654    HA   GLU  29           HA       GLU  29  15.059  -3.457   5.911
  655    HB2  GLU  29           HB2      GLU  29  14.596  -5.635   6.413
  656    HB3  GLU  29           HB1      GLU  29  13.286  -5.293   5.293
  657    HG2  GLU  29           HG2      GLU  29  14.707  -6.282   3.477
  658    HG3  GLU  29           HG1      GLU  29  15.832  -6.791   4.734
  659    H    LEU  30           HN       LEU  30  15.901  -4.084   2.614
  660    HA   LEU  30           HA       LEU  30  18.509  -5.168   3.394
  661    HB2  LEU  30           HB2      LEU  30  18.509  -6.357   1.508
  662    HB3  LEU  30           HB1      LEU  30  16.797  -6.006   1.475
  663    HG   LEU  30           HG       LEU  30  18.921  -4.507  -0.046
  664   HD11  LEU  30          HD11      LEU  30  18.492  -6.813  -0.838
  665   HD12  LEU  30          HD12      LEU  30  18.024  -5.579  -2.009
  666   HD13  LEU  30          HD13      LEU  30  16.791  -6.391  -1.041
  667   HD21  LEU  30          HD21      LEU  30  15.934  -4.212   0.019
  668   HD22  LEU  30          HD22      LEU  30  16.961  -3.526  -1.235
  669   HD23  LEU  30          HD23      LEU  30  17.141  -2.996   0.436
  670    H    VAL  31           HN       VAL  31  17.300  -2.297   3.218
  671    HA   VAL  31           HA       VAL  31  19.520  -1.077   1.737
  672    HB   VAL  31           HB       VAL  31  17.438  -0.142   1.033
  673   HG11  VAL  31          HG11      VAL  31  15.872   0.931   2.593
  674   HG12  VAL  31          HG12      VAL  31  16.853   0.365   3.945
  675   HG13  VAL  31          HG13      VAL  31  16.041  -0.798   2.897
  676   HG21  VAL  31          HG21      VAL  31  17.691   2.251   2.092
  677   HG22  VAL  31          HG22      VAL  31  18.919   1.601   1.009
  678   HG23  VAL  31          HG23      VAL  31  19.170   1.561   2.754
  679    HA   PRO  32           HA       PRO  32  21.782  -0.605   5.559
  680    HB2  PRO  32           HB2      PRO  32  22.506   1.946   4.149
  681    HB3  PRO  32           HB1      PRO  32  23.547   0.827   5.036
  682    HG2  PRO  32           HG2      PRO  32  23.439   0.794   2.361
  683    HG3  PRO  32           HG1      PRO  32  23.619  -0.698   3.301
  684    HD2  PRO  32           HD2      PRO  32  21.287   0.296   1.785
  685    HD3  PRO  32           HD1      PRO  32  21.696  -1.363   2.266
  686    H    GLN  33           HN       GLN  33  20.945   0.099   7.411
  687    HA   GLN  33           HA       GLN  33  18.725   1.692   7.679
  688    HB2  GLN  33           HB2      GLN  33  19.491   0.158   9.409
  689    HB3  GLN  33           HB1      GLN  33  20.881   1.184   9.729
  690    HG2  GLN  33           HG2      GLN  33  19.420   2.967  10.488
  691    HG3  GLN  33           HG1      GLN  33  18.005   1.982  10.116
  692   HE21  GLN  33          HE21      GLN  33  20.701   2.443  12.260
  693   HE22  GLN  33          HE22      GLN  33  20.147   1.391  13.513
  694    HA   PRO  34           HA       PRO  34  21.633   5.400   8.959
  695    HB2  PRO  34           HB2      PRO  34  23.878   4.910   7.071
  696    HB3  PRO  34           HB1      PRO  34  23.915   5.531   8.725
  697    HG2  PRO  34           HG2      PRO  34  24.697   3.040   8.182
  698    HG3  PRO  34           HG1      PRO  34  23.799   3.416   9.664
  699    HD2  PRO  34           HD2      PRO  34  22.835   2.149   7.131
  700    HD3  PRO  34           HD1      PRO  34  22.416   1.768   8.813
  701    H    LEU  35           HN       LEU  35  21.395   3.988   5.768
  702    HA   LEU  35           HA       LEU  35  21.368   6.495   4.360
  703    HB2  LEU  35           HB2      LEU  35  22.297   4.433   3.370
  704    HB3  LEU  35           HB1      LEU  35  20.718   3.681   3.461
  705    HG   LEU  35           HG       LEU  35  19.847   5.218   1.815
  706   HD11  LEU  35          HD11      LEU  35  21.147   7.196   2.398
  707   HD12  LEU  35          HD12      LEU  35  21.266   6.833   0.677
  708   HD13  LEU  35          HD13      LEU  35  22.601   6.430   1.757
  709   HD21  LEU  35          HD21      LEU  35  22.473   4.053   0.921
  710   HD22  LEU  35          HD22      LEU  35  21.108   4.473  -0.113
  711   HD23  LEU  35          HD23      LEU  35  20.956   3.166   1.061
  712    H    VAL  36           HN       VAL  36  19.049   4.279   5.733
  713    HA   VAL  36           HA       VAL  36  16.745   5.337   4.395
  714    HB   VAL  36           HB       VAL  36  17.074   3.686   6.904
  715   HG11  VAL  36          HG11      VAL  36  14.582   3.413   6.825
  716   HG12  VAL  36          HG12      VAL  36  14.535   4.765   5.694
  717   HG13  VAL  36          HG13      VAL  36  15.137   5.008   7.333
  718   HG21  VAL  36          HG21      VAL  36  16.042   1.937   5.568
  719   HG22  VAL  36          HG22      VAL  36  17.469   2.574   4.750
  720   HG23  VAL  36          HG23      VAL  36  15.858   3.054   4.216
  721    H    ASP  37           HN       ASP  37  18.301   5.887   7.526
  722    HA   ASP  37           HA       ASP  37  16.533   7.778   8.579
  723    HB2  ASP  37           HB2      ASP  37  19.527   7.497   8.906
  724    HB3  ASP  37           HB1      ASP  37  18.533   8.588   9.866
  725    H    SER  38           HN       SER  38  19.385   8.186   6.465
  726    HA   SER  38           HA       SER  38  19.358  10.951   6.386
  727    HB2  SER  38           HB2      SER  38  20.228   8.939   4.309
  728    HB3  SER  38           HB1      SER  38  20.521  10.671   4.152
  729    HG   SER  38           HG       SER  38  21.297   9.870   6.578
  730    H    TYR  39           HN       TYR  39  17.665   8.604   4.341
  731    HA   TYR  39           HA       TYR  39  16.474  10.383   2.541
  732    HB2  TYR  39           HB2      TYR  39  16.257   8.185   1.860
  733    HB3  TYR  39           HB1      TYR  39  15.852   7.614   3.476
  734    HD1  TYR  39           HD2      TYR  39  14.513   9.458   0.553
  735    HD2  TYR  39           HD1      TYR  39  13.598   7.373   4.147
  736    HE1  TYR  39           HE2      TYR  39  12.128   9.511  -0.028
  737    HE2  TYR  39           HE1      TYR  39  11.218   7.435   3.585
  738    HH   TYR  39           HH       TYR  39   9.678   8.753   2.200
  739    H    ARG  40           HN       ARG  40  15.313   9.109   5.633
  740    HA   ARG  40           HA       ARG  40  12.784  10.167   5.667
  741    HB2  ARG  40           HB2      ARG  40  14.759   9.553   7.834
  742    HB3  ARG  40           HB1      ARG  40  13.197  10.258   8.234
  743    HG2  ARG  40           HG2      ARG  40  12.049   8.391   7.255
  744    HG3  ARG  40           HG1      ARG  40  13.572   7.712   6.677
  745    HD2  ARG  40           HD2      ARG  40  14.324   7.481   9.010
  746    HD3  ARG  40           HD1      ARG  40  12.770   8.107   9.558
  747    HE   ARG  40           HE       ARG  40  12.393   5.875   7.861
  748   HH11  ARG  40          HH11      ARG  40  13.425   6.723  11.082
  749   HH12  ARG  40          HH12      ARG  40  12.953   5.205  11.769
  750   HH21  ARG  40          HH21      ARG  40  11.770   3.877   8.759
  751   HH22  ARG  40          HH22      ARG  40  12.013   3.587  10.449
  752    H    GLN  41           HN       GLN  41  15.798  11.655   6.732
  753    HA   GLN  41           HA       GLN  41  14.738  14.055   7.697
  754    HB2  GLN  41           HB2      GLN  41  17.061  13.398   8.111
  755    HB3  GLN  41           HB1      GLN  41  17.436  13.589   6.403
  756    HG2  GLN  41           HG2      GLN  41  16.990  15.971   6.554
  757    HG3  GLN  41           HG1      GLN  41  16.561  15.794   8.254
  758   HE21  GLN  41          HE21      GLN  41  18.176  15.437   9.770
  759   HE22  GLN  41          HE22      GLN  41  19.847  15.699   9.418
  760    H    GLN  42           HN       GLN  42  15.863  13.177   4.454
  761    HA   GLN  42           HA       GLN  42  15.517  15.659   3.209
  762    HB2  GLN  42           HB2      GLN  42  16.722  13.729   2.216
  763    HB3  GLN  42           HB1      GLN  42  15.178  12.924   1.970
  764    HG2  GLN  42           HG2      GLN  42  15.854  13.906  -0.093
  765    HG3  GLN  42           HG1      GLN  42  14.479  14.814   0.533
  766   HE21  GLN  42          HE21      GLN  42  14.995  16.638  -0.657
  767   HE22  GLN  42          HE22      GLN  42  16.338  17.651  -0.263
  768    H    GLN  43           HN       GLN  43  13.231  13.190   4.091
  769    HA   GLN  43           HA       GLN  43  11.095  14.438   2.558
  770    HB2  GLN  43           HB2      GLN  43  11.109  12.020   2.617
  771    HB3  GLN  43           HB1      GLN  43  11.137  12.023   4.376
  772    HG2  GLN  43           HG2      GLN  43   8.928  11.485   3.537
  773    HG3  GLN  43           HG1      GLN  43   8.912  13.008   4.422
  774   HE21  GLN  43          HE21      GLN  43   7.045  13.707   3.402
  775   HE22  GLN  43          HE22      GLN  43   7.029  14.222   1.753
  776    H    GLN  44           HN       GLN  44  12.415  14.411   5.727
  777    HA   GLN  44           HA       GLN  44  10.155  15.212   7.208
  778    HB2  GLN  44           HB2      GLN  44  12.515  14.388   7.992
  779    HB3  GLN  44           HB1      GLN  44  12.927  16.093   7.921
  780    HG2  GLN  44           HG2      GLN  44  12.237  15.311  10.166
  781    HG3  GLN  44           HG1      GLN  44  11.282  16.650   9.537
  782   HE21  GLN  44          HE21      GLN  44  10.900  13.310   8.513
  783   HE22  GLN  44          HE22      GLN  44   9.335  13.087   9.204
  784    H    LEU  45           HN       LEU  45  12.387  16.908   5.152
  785    HA   LEU  45           HA       LEU  45  12.001  19.529   6.010
  786    HB2  LEU  45           HB2      LEU  45  13.122  20.145   4.138
  787    HB3  LEU  45           HB1      LEU  45  13.468  18.430   4.062
  788    HG   LEU  45           HG       LEU  45  11.244  18.413   2.595
  789   HD11  LEU  45          HD11      LEU  45  10.760  20.779   2.857
  790   HD12  LEU  45          HD12      LEU  45  11.143  20.413   1.176
  791   HD13  LEU  45          HD13      LEU  45  12.344  21.194   2.204
  792   HD21  LEU  45          HD21      LEU  45  12.595  18.287   0.691
  793   HD22  LEU  45          HD22      LEU  45  13.654  17.792   2.013
  794   HD23  LEU  45          HD23      LEU  45  13.779  19.419   1.346
  795    H    LEU  46           HN       LEU  46   9.946  17.437   4.107
  796    HA   LEU  46           HA       LEU  46   7.723  19.240   4.481
  797    HB2  LEU  46           HB2      LEU  46   8.904  20.006   2.387
  798    HB3  LEU  46           HB1      LEU  46   8.487  18.461   1.671
  799    HG   LEU  46           HG       LEU  46   6.258  20.061   2.805
  800   HD11  LEU  46          HD11      LEU  46   6.086  21.453   0.839
  801   HD12  LEU  46          HD12      LEU  46   7.555  20.742   0.171
  802   HD13  LEU  46          HD13      LEU  46   7.639  21.733   1.627
  803   HD21  LEU  46          HD21      LEU  46   5.089  19.149   0.869
  804   HD22  LEU  46          HD22      LEU  46   5.874  17.870   1.794
  805   HD23  LEU  46          HD23      LEU  46   6.593  18.437   0.287
  806    H    GLN  47           HN       GLN  47   6.751  17.592   5.626
  807    HA   GLN  47           HA       GLN  47   6.305  15.013   4.341
  808    HB2  GLN  47           HB2      GLN  47   6.860  15.549   6.881
  809    HB3  GLN  47           HB1      GLN  47   5.116  15.739   6.981
  810    HG2  GLN  47           HG2      GLN  47   6.446  13.283   5.876
  811    HG3  GLN  47           HG1      GLN  47   6.009  13.473   7.574
  812   HE21  GLN  47          HE21      GLN  47   4.844  13.000   4.343
  813   HE22  GLN  47          HE22      GLN  47   3.210  12.632   4.767
  814    H    ARG  48           HN       ARG  48   5.107  16.865   2.847
  815    HA   ARG  48           HA       ARG  48   2.261  16.400   3.375
  816    HB2  ARG  48           HB2      ARG  48   3.461  19.054   2.566
  817    HB3  ARG  48           HB1      ARG  48   1.740  18.702   2.612
  818    HG2  ARG  48           HG2      ARG  48   1.852  18.345   5.003
  819    HG3  ARG  48           HG1      ARG  48   3.594  18.624   4.978
  820    HD2  ARG  48           HD2      ARG  48   1.468  20.621   4.211
  821    HD3  ARG  48           HD1      ARG  48   2.379  20.613   5.720
  822    HE   ARG  48           HE       ARG  48   4.219  20.674   3.635
  823   HH11  ARG  48          HH11      ARG  48   1.706  22.698   4.953
  824   HH12  ARG  48          HH12      ARG  48   2.460  24.176   4.456
  825   HH21  ARG  48          HH21      ARG  48   5.216  22.613   2.978
  826   HH22  ARG  48          HH22      ARG  48   4.455  24.128   3.333
  827    H    ASP   1           HT1      ASP   1  -5.423  14.437  16.537
  828    HA   ASP   1           HA       ASP   1  -5.608  15.768  13.898
  829    HB2  ASP   1           HB2      ASP   1  -3.207  14.753  15.438
  830    HB3  ASP   1           HB1      ASP   1  -3.168  15.370  13.789
  831    H    GLU   2           HN       GLU   2  -6.701  14.283  12.732
  832    HA   GLU   2           HA       GLU   2  -5.388  11.864  12.020
  833    HB2  GLU   2           HB2      GLU   2  -7.124  10.288  12.775
  834    HB3  GLU   2           HB1      GLU   2  -6.318  11.074  14.126
  835    HG2  GLU   2           HG2      GLU   2  -8.207  12.606  14.360
  836    HG3  GLU   2           HG1      GLU   2  -9.015  11.812  13.010
  837    H    ASP   3           HN       ASP   3  -7.123  14.386  11.216
  838    HA   ASP   3           HA       ASP   3  -9.148  13.226   9.545
  839    HB2  ASP   3           HB2      ASP   3  -8.005  16.027   9.507
  840    HB3  ASP   3           HB1      ASP   3  -9.492  15.501   8.724
  841    H    THR   4           HN       THR   4  -8.422  15.182   7.293
  842    HA   THR   4           HA       THR   4  -6.998  13.269   5.741
  843    HB   THR   4           HB       THR   4  -7.101  15.980   4.652
  844    HG1  THR   4           HG1      THR   4  -9.580  14.734   4.641
  845   HG21  THR   4          HG21      THR   4  -8.036  14.775   2.706
  846   HG22  THR   4          HG22      THR   4  -8.049  13.291   3.664
  847   HG23  THR   4          HG23      THR   4  -6.516  14.070   3.264
  848    H    TYR   5           HN       TYR   5  -5.024  13.346   4.904
  849    HA   TYR   5           HA       TYR   5  -3.066  15.110   6.222
  850    HB2  TYR   5           HB2      TYR   5  -3.043  12.160   5.773
  851    HB3  TYR   5           HB1      TYR   5  -1.564  13.077   6.039
  852    HD1  TYR   5           HD1      TYR   5  -1.409  14.478   8.167
  853    HD2  TYR   5           HD2      TYR   5  -4.339  11.454   7.581
  854    HE1  TYR   5           HE1      TYR   5  -1.749  14.348  10.597
  855    HE2  TYR   5           HE2      TYR   5  -4.687  11.310  10.009
  856    HH   TYR   5           HH       TYR   5  -3.475  13.643  12.175
  857    H    TYR   6           HN       TYR   6  -1.017  15.284   4.924
  858    HA   TYR   6           HA       TYR   6  -1.513  14.714   2.080
  859    HB2  TYR   6           HB2      TYR   6   0.419  16.812   3.093
  860    HB3  TYR   6           HB1      TYR   6  -0.219  16.629   1.465
  861    HD1  TYR   6           HD1      TYR   6  -3.128  16.238   2.209
  862    HD2  TYR   6           HD2      TYR   6  -0.228  19.048   3.542
  863    HE1  TYR   6           HE1      TYR   6  -4.924  17.831   2.716
  864    HE2  TYR   6           HE2      TYR   6  -2.017  20.654   4.061
  865    HH   TYR   6           HH       TYR   6  -4.334  21.111   3.396
  866    H    LEU   7           HN       LEU   7  -0.241  13.419   1.055
  867    HA   LEU   7           HA       LEU   7   2.166  12.384   2.432
  868    HB2  LEU   7           HB2      LEU   7  -0.142  11.127   1.551
  869    HB3  LEU   7           HB1      LEU   7   0.994  10.817   0.268
  870    HG   LEU   7           HG       LEU   7   2.093   9.257   1.448
  871   HD11  LEU   7          HD11      LEU   7   1.923   9.491   4.143
  872   HD12  LEU   7          HD12      LEU   7   1.980  11.184   3.638
  873   HD13  LEU   7          HD13      LEU   7   3.266  10.080   3.158
  874   HD21  LEU   7          HD21      LEU   7  -0.251   8.631   1.535
  875   HD22  LEU   7          HD22      LEU   7  -0.416   9.449   3.088
  876   HD23  LEU   7          HD23      LEU   7   0.626   8.032   2.944
  877    H    GLN   8           HN       GLN   8   3.980  13.241   1.455
  878    HA   GLN   8           HA       GLN   8   3.793  13.940  -1.335
  879    HB2  GLN   8           HB2      GLN   8   5.127  15.101   0.720
  880    HB3  GLN   8           HB1      GLN   8   6.410  14.151  -0.015
  881    HG2  GLN   8           HG2      GLN   8   5.514  15.241  -2.218
  882    HG3  GLN   8           HG1      GLN   8   4.894  16.455  -1.102
  883   HE21  GLN   8          HE21      GLN   8   7.260  15.901   0.705
  884   HE22  GLN   8          HE22      GLN   8   8.565  16.754  -0.031
  885    H    VAL   9           HN       VAL   9   4.187  12.536  -2.851
  886    HA   VAL   9           HA       VAL   9   6.041  10.368  -2.242
  887    HB   VAL   9           HB       VAL   9   3.378  10.197  -3.636
  888   HG11  VAL   9          HG11      VAL   9   3.921   7.826  -4.109
  889   HG12  VAL   9          HG12      VAL   9   5.591   8.159  -3.652
  890   HG13  VAL   9          HG13      VAL   9   4.875   8.978  -5.041
  891   HG21  VAL   9          HG21      VAL   9   3.461   9.996  -1.172
  892   HG22  VAL   9          HG22      VAL   9   4.520   8.598  -1.354
  893   HG23  VAL   9          HG23      VAL   9   2.869   8.540  -1.971
  894    H    ARG  10           HN       ARG  10   7.638  10.050  -3.653
  895    HA   ARG  10           HA       ARG  10   7.616  11.750  -6.044
  896    HB2  ARG  10           HB2      ARG  10   9.496  11.782  -4.249
  897    HB3  ARG  10           HB1      ARG  10  10.032  10.288  -5.004
  898    HG2  ARG  10           HG2      ARG  10   9.577  12.721  -6.672
  899    HG3  ARG  10           HG1      ARG  10  11.061  12.550  -5.734
  900    HD2  ARG  10           HD2      ARG  10  11.482  10.389  -6.838
  901    HD3  ARG  10           HD1      ARG  10  10.026  10.617  -7.806
  902    HE   ARG  10           HE       ARG  10  11.633  12.857  -8.177
  903   HH11  ARG  10          HH11      ARG  10  11.739   9.435  -8.827
  904   HH12  ARG  10          HH12      ARG  10  12.747   9.602 -10.225
  905   HH21  ARG  10          HH21      ARG  10  12.958  13.086 -10.016
  906   HH22  ARG  10          HH22      ARG  10  13.441  11.677 -10.900
  907    H    GLY  11           HN       GLY  11   7.832  10.985  -8.076
  908    HA2  GLY  11           HA2      GLY  11   8.252   9.363  -9.733
  909    HA3  GLY  11           HA1      GLY  11   8.358   8.139  -8.476
  910    H    ARG  12           HN       ARG  12   6.619   8.977 -11.048
  911    HA   ARG  12           HA       ARG  12   3.953   8.985 -10.353
  912    HB2  ARG  12           HB2      ARG  12   5.139   9.202 -12.662
  913    HB3  ARG  12           HB1      ARG  12   4.887   7.465 -12.758
  914    HG2  ARG  12           HG2      ARG  12   3.082   8.502 -13.882
  915    HG3  ARG  12           HG1      ARG  12   2.455   7.886 -12.352
  916    HD2  ARG  12           HD2      ARG  12   2.502  10.070 -11.378
  917    HD3  ARG  12           HD1      ARG  12   3.348  10.729 -12.778
  918    HE   ARG  12           HE       ARG  12   1.189   9.989 -13.995
  919   HH11  ARG  12          HH11      ARG  12   1.369  11.264 -10.757
  920   HH12  ARG  12          HH12      ARG  12  -0.212  11.970 -10.810
  921   HH21  ARG  12          HH21      ARG  12  -0.891  10.916 -14.073
  922   HH22  ARG  12          HH22      ARG  12  -1.496  11.772 -12.694
  923    H    GLU  13           HN       GLU  13   5.920   6.150 -11.072
  924    HA   GLU  13           HA       GLU  13   4.001   4.182 -10.830
  925    HB2  GLU  13           HB2      GLU  13   6.393   3.863 -11.537
  926    HB3  GLU  13           HB1      GLU  13   6.836   3.890  -9.835
  927    HG2  GLU  13           HG2      GLU  13   6.700   1.631 -10.404
  928    HG3  GLU  13           HG1      GLU  13   5.211   1.983  -9.529
  929    H    ASN  14           HN       ASN  14   5.944   5.625  -8.237
  930    HA   ASN  14           HA       ASN  14   4.889   4.006  -6.132
  931    HB2  ASN  14           HB2      ASN  14   6.196   6.726  -5.973
  932    HB3  ASN  14           HB1      ASN  14   5.987   5.582  -4.649
  933   HD21  ASN  14          HD21      ASN  14   8.441   6.693  -5.542
  934   HD22  ASN  14          HD22      ASN  14   9.431   5.392  -6.100
  935    H    PHE  15           HN       PHE  15   4.125   7.253  -7.363
  936    HA   PHE  15           HA       PHE  15   2.212   7.875  -5.417
  937    HB2  PHE  15           HB2      PHE  15   3.312   9.536  -6.874
  938    HB3  PHE  15           HB1      PHE  15   2.483   8.865  -8.271
  939    HD1  PHE  15           HD1      PHE  15   1.367   9.903  -4.858
  940    HD2  PHE  15           HD2      PHE  15   0.943  10.332  -9.074
  941    HE1  PHE  15           HE1      PHE  15  -0.458  11.497  -4.508
  942    HE2  PHE  15           HE2      PHE  15  -0.908  11.920  -8.722
  943    HZ   PHE  15           HZ       PHE  15  -1.603  12.505  -6.433
  944    H    GLU  16           HN       GLU  16   1.742   6.582  -8.720
  945    HA   GLU  16           HA       GLU  16  -1.017   6.374  -8.625
  946    HB2  GLU  16           HB2      GLU  16   0.943   4.562 -10.049
  947    HB3  GLU  16           HB1      GLU  16  -0.786   4.613 -10.365
  948    HG2  GLU  16           HG2      GLU  16   1.144   6.892 -10.745
  949    HG3  GLU  16           HG1      GLU  16   0.467   5.880 -12.020
  950    H    ILE  17           HN       ILE  17   1.382   4.183  -7.309
  951    HA   ILE  17           HA       ILE  17  -0.467   2.031  -6.783
  952    HB   ILE  17           HB       ILE  17   2.372   2.537  -6.216
  953   HG12  ILE  17          HG12      ILE  17   0.980  -0.093  -6.618
  954   HG13  ILE  17          HG11      ILE  17   1.215   1.011  -7.967
  955   HG21  ILE  17          HG21      ILE  17   2.507   0.822  -4.459
  956   HG22  ILE  17          HG22      ILE  17   0.745   0.762  -4.395
  957   HG23  ILE  17          HG23      ILE  17   1.597   2.235  -3.923
  958   HD11  ILE  17          HD11      ILE  17   2.928  -0.764  -7.771
  959   HD12  ILE  17          HD12      ILE  17   3.433  -0.049  -6.238
  960   HD13  ILE  17          HD13      ILE  17   3.588   0.874  -7.734
  961    H    LEU  18           HN       LEU  18   0.816   4.788  -4.974
  962    HA   LEU  18           HA       LEU  18  -0.442   4.080  -2.464
  963    HB2  LEU  18           HB2      LEU  18   1.192   6.346  -3.522
  964    HB3  LEU  18           HB1      LEU  18   0.278   6.538  -2.040
  965    HG   LEU  18           HG       LEU  18   1.977   4.133  -2.147
  966   HD11  LEU  18          HD11      LEU  18   4.041   5.183  -1.954
  967   HD12  LEU  18          HD12      LEU  18   3.319   6.761  -1.663
  968   HD13  LEU  18          HD13      LEU  18   3.272   6.058  -3.278
  969   HD21  LEU  18          HD21      LEU  18   1.307   6.286  -0.160
  970   HD22  LEU  18          HD22      LEU  18   2.528   5.053   0.152
  971   HD23  LEU  18          HD23      LEU  18   0.853   4.582  -0.127
  972    H    MET  19           HN       MET  19  -1.179   6.031  -5.287
  973    HA   MET  19           HA       MET  19  -3.274   7.502  -4.005
  974    HB2  MET  19           HB2      MET  19  -1.835   8.051  -6.206
  975    HB3  MET  19           HB1      MET  19  -3.155   7.202  -6.989
  976    HG2  MET  19           HG2      MET  19  -3.269   9.754  -5.420
  977    HG3  MET  19           HG1      MET  19  -3.626   9.498  -7.120
  978    HE1  MET  19           HE1      MET  19  -6.948  10.548  -5.098
  979    HE2  MET  19           HE2      MET  19  -5.840  11.084  -6.361
  980    HE3  MET  19           HE3      MET  19  -5.281  10.964  -4.692
  981    H    LYS  20           HN       LYS  20  -3.041   4.572  -5.977
  982    HA   LYS  20           HA       LYS  20  -5.874   4.273  -6.223
  983    HB2  LYS  20           HB2      LYS  20  -3.890   3.171  -7.570
  984    HB3  LYS  20           HB1      LYS  20  -3.955   1.977  -6.283
  985    HG2  LYS  20           HG2      LYS  20  -6.425   2.730  -7.791
  986    HG3  LYS  20           HG1      LYS  20  -5.281   1.556  -8.446
  987    HD2  LYS  20           HD2      LYS  20  -5.496   0.315  -6.256
  988    HD3  LYS  20           HD1      LYS  20  -6.845   1.388  -5.879
  989    HE2  LYS  20           HE2      LYS  20  -6.687  -0.321  -8.355
  990    HE3  LYS  20           HE1      LYS  20  -7.501  -0.812  -6.870
  991    HZ1  LYS  20           HZ1      LYS  20  -8.185   1.556  -8.529
  992    HZ2  LYS  20           HZ2      LYS  20  -8.955   1.118  -7.088
  993    HZ3  LYS  20           HZ3      LYS  20  -9.066   0.114  -8.445
  994    H    LEU  21           HN       LEU  21  -3.398   3.575  -3.907
  995    HA   LEU  21           HA       LEU  21  -4.997   1.783  -2.339
  996    HB2  LEU  21           HB2      LEU  21  -2.733   1.381  -2.021
  997    HB3  LEU  21           HB1      LEU  21  -2.328   3.085  -1.990
  998    HG   LEU  21           HG       LEU  21  -3.085   3.317   0.263
  999   HD11  LEU  21          HD11      LEU  21  -4.867   2.168   0.907
 1000   HD12  LEU  21          HD12      LEU  21  -3.772   0.816   1.200
 1001   HD13  LEU  21          HD13      LEU  21  -4.624   0.946  -0.338
 1002   HD21  LEU  21          HD21      LEU  21  -1.465   0.830  -0.173
 1003   HD22  LEU  21          HD22      LEU  21  -1.735   1.535   1.419
 1004   HD23  LEU  21          HD23      LEU  21  -0.887   2.459   0.177
 1005    H    LYS  22           HN       LYS  22  -4.150   5.208  -2.195
 1006    HA   LYS  22           HA       LYS  22  -5.286   5.845   0.265
 1007    HB2  LYS  22           HB2      LYS  22  -3.992   7.534  -0.692
 1008    HB3  LYS  22           HB1      LYS  22  -4.722   7.335  -2.276
 1009    HG2  LYS  22           HG2      LYS  22  -6.861   8.246  -1.128
 1010    HG3  LYS  22           HG1      LYS  22  -5.735   8.834   0.095
 1011    HD2  LYS  22           HD2      LYS  22  -4.794  10.359  -1.303
 1012    HD3  LYS  22           HD1      LYS  22  -5.056   9.364  -2.738
 1013    HE2  LYS  22           HE2      LYS  22  -7.144  10.941  -1.242
 1014    HE3  LYS  22           HE1      LYS  22  -6.456  11.342  -2.815
 1015    HZ1  LYS  22           HZ1      LYS  22  -7.479   9.469  -3.792
 1016    HZ2  LYS  22           HZ2      LYS  22  -8.678  10.212  -2.859
 1017    HZ3  LYS  22           HZ3      LYS  22  -7.914   8.815  -2.294
 1018    H    GLU  23           HN       GLU  23  -6.614   5.504  -2.949
 1019    HA   GLU  23           HA       GLU  23  -9.255   6.365  -2.352
 1020    HB2  GLU  23           HB2      GLU  23  -8.305   6.241  -4.650
 1021    HB3  GLU  23           HB1      GLU  23  -8.286   4.491  -4.520
 1022    HG2  GLU  23           HG2      GLU  23 -10.436   4.313  -5.020
 1023    HG3  GLU  23           HG1      GLU  23 -10.893   5.645  -3.963
 1024    H    SER  24           HN       SER  24  -7.773   3.108  -2.495
 1025    HA   SER  24           HA       SER  24 -10.062   1.684  -1.800
 1026    HB2  SER  24           HB2      SER  24  -8.636  -0.158  -1.418
 1027    HB3  SER  24           HB1      SER  24  -7.869   0.792  -2.686
 1028    HG   SER  24           HG       SER  24  -6.424   0.109  -0.994
 1029    H    LEU  25           HN       LEU  25  -7.552   3.067   0.334
 1030    HA   LEU  25           HA       LEU  25  -8.620   1.997   2.775
 1031    HB2  LEU  25           HB2      LEU  25  -6.611   4.075   2.026
 1032    HB3  LEU  25           HB1      LEU  25  -7.265   4.096   3.652
 1033    HG   LEU  25           HG       LEU  25  -5.983   1.638   2.469
 1034   HD11  LEU  25          HD11      LEU  25  -4.693   3.832   4.086
 1035   HD12  LEU  25          HD12      LEU  25  -4.342   3.425   2.406
 1036   HD13  LEU  25          HD13      LEU  25  -3.954   2.281   3.691
 1037   HD21  LEU  25          HD21      LEU  25  -5.882   0.851   4.678
 1038   HD22  LEU  25          HD22      LEU  25  -7.500   1.537   4.516
 1039   HD23  LEU  25          HD23      LEU  25  -6.234   2.441   5.352
 1040    H    GLU  26           HN       GLU  26  -8.913   5.118   1.145
 1041    HA   GLU  26           HA       GLU  26 -10.619   6.161   3.172
 1042    HB2  GLU  26           HB2      GLU  26 -10.079   7.109   0.354
 1043    HB3  GLU  26           HB1      GLU  26 -11.148   7.963   1.458
 1044    HG2  GLU  26           HG2      GLU  26  -9.201   8.090   3.054
 1045    HG3  GLU  26           HG1      GLU  26  -8.193   7.509   1.730
 1046    H    LEU  27           HN       LEU  27 -11.209   4.469   0.136
 1047    HA   LEU  27           HA       LEU  27 -14.035   4.925   0.126
 1048    HB2  LEU  27           HB2      LEU  27 -12.173   3.112  -1.345
 1049    HB3  LEU  27           HB1      LEU  27 -13.889   2.759  -1.363
 1050    HG   LEU  27           HG       LEU  27 -12.692   5.379  -2.265
 1051   HD11  LEU  27          HD11      LEU  27 -13.673   3.047  -3.904
 1052   HD12  LEU  27          HD12      LEU  27 -11.988   3.531  -3.706
 1053   HD13  LEU  27          HD13      LEU  27 -13.122   4.602  -4.528
 1054   HD21  LEU  27          HD21      LEU  27 -14.899   5.760  -3.235
 1055   HD22  LEU  27          HD22      LEU  27 -15.006   5.539  -1.489
 1056   HD23  LEU  27          HD23      LEU  27 -15.462   4.224  -2.573
 1057    H    MET  28           HN       MET  28 -11.947   2.816   1.855
 1058    HA   MET  28           HA       MET  28 -13.887   0.792   2.260
 1059    HB2  MET  28           HB2      MET  28 -11.386   0.489   2.604
 1060    HB3  MET  28           HB1      MET  28 -11.559   1.389   4.106
 1061    HG2  MET  28           HG2      MET  28 -13.407  -0.410   4.575
 1062    HG3  MET  28           HG1      MET  28 -12.480  -1.341   3.409
 1063    HE1  MET  28           HE1      MET  28 -10.486  -2.484   3.745
 1064    HE2  MET  28           HE2      MET  28  -9.370  -2.388   5.110
 1065    HE3  MET  28           HE3      MET  28  -9.430  -1.083   3.927
 1066    H    GLU  29           HN       GLU  29 -13.750   3.956   3.367
 1067    HA   GLU  29           HA       GLU  29 -15.052   3.453   5.925
 1068    HB2  GLU  29           HB2      GLU  29 -14.589   5.631   6.429
 1069    HB3  GLU  29           HB1      GLU  29 -13.280   5.291   5.307
 1070    HG2  GLU  29           HG2      GLU  29 -14.704   6.279   3.494
 1071    HG3  GLU  29           HG1      GLU  29 -15.827   6.788   4.752
 1072    H    LEU  30           HN       LEU  30 -15.898   4.081   2.629
 1073    HA   LEU  30           HA       LEU  30 -18.505   5.165   3.414
 1074    HB2  LEU  30           HB2      LEU  30 -18.509   6.355   1.528
 1075    HB3  LEU  30           HB1      LEU  30 -16.797   6.005   1.494
 1076    HG   LEU  30           HG       LEU  30 -18.921   4.506  -0.026
 1077   HD11  LEU  30          HD11      LEU  30 -18.494   6.812  -0.817
 1078   HD12  LEU  30          HD12      LEU  30 -18.029   5.579  -1.990
 1079   HD13  LEU  30          HD13      LEU  30 -16.794   6.391  -1.024
 1080   HD21  LEU  30          HD21      LEU  30 -15.934   4.212   0.034
 1081   HD22  LEU  30          HD22      LEU  30 -16.963   3.526  -1.219
 1082   HD23  LEU  30          HD23      LEU  30 -17.141   2.995   0.452
 1083    H    VAL  31           HN       VAL  31 -17.297   2.296   3.234
 1084    HA   VAL  31           HA       VAL  31 -19.518   1.075   1.755
 1085    HB   VAL  31           HB       VAL  31 -17.436   0.142   1.049
 1086   HG11  VAL  31          HG11      VAL  31 -15.869  -0.932   2.606
 1087   HG12  VAL  31          HG12      VAL  31 -16.848  -0.368   3.960
 1088   HG13  VAL  31          HG13      VAL  31 -16.039   0.796   2.912
 1089   HG21  VAL  31          HG21      VAL  31 -17.688  -2.253   2.106
 1090   HG22  VAL  31          HG22      VAL  31 -18.916  -1.601   1.024
 1091   HG23  VAL  31          HG23      VAL  31 -19.167  -1.563   2.769
 1092    HA   PRO  32           HA       PRO  32 -21.775   0.600   5.580
 1093    HB2  PRO  32           HB2      PRO  32 -22.500  -1.950   4.168
 1094    HB3  PRO  32           HB1      PRO  32 -23.541  -0.831   5.058
 1095    HG2  PRO  32           HG2      PRO  32 -23.436  -0.796   2.383
 1096    HG3  PRO  32           HG1      PRO  32 -23.615   0.695   3.324
 1097    HD2  PRO  32           HD2      PRO  32 -21.285  -0.298   1.805
 1098    HD3  PRO  32           HD1      PRO  32 -21.693   1.361   2.287
 1099    H    GLN  33           HN       GLN  33 -20.935  -0.104   7.430
 1100    HA   GLN  33           HA       GLN  33 -18.715  -1.698   7.695
 1101    HB2  GLN  33           HB2      GLN  33 -19.480  -0.165   9.427
 1102    HB3  GLN  33           HB1      GLN  33 -20.869  -1.193   9.748
 1103    HG2  GLN  33           HG2      GLN  33 -19.406  -2.974  10.503
 1104    HG3  GLN  33           HG1      GLN  33 -17.992  -1.989  10.130
 1105   HE21  GLN  33          HE21      GLN  33 -20.685  -2.451  12.277
 1106   HE22  GLN  33          HE22      GLN  33 -20.129  -1.401  13.531
 1107    HA   PRO  34           HA       PRO  34 -21.620  -5.406   8.975
 1108    HB2  PRO  34           HB2      PRO  34 -23.869  -4.916   7.091
 1109    HB3  PRO  34           HB1      PRO  34 -23.903  -5.538   8.744
 1110    HG2  PRO  34           HG2      PRO  34 -24.687  -3.047   8.204
 1111    HG3  PRO  34           HG1      PRO  34 -23.787  -3.424   9.685
 1112    HD2  PRO  34           HD2      PRO  34 -22.826  -2.155   7.152
 1113    HD3  PRO  34           HD1      PRO  34 -22.405  -1.775   8.834
 1114    H    LEU  35           HN       LEU  35 -21.387  -3.992   5.785
 1115    HA   LEU  35           HA       LEU  35 -21.362  -6.498   4.376
 1116    HB2  LEU  35           HB2      LEU  35 -22.292  -4.436   3.389
 1117    HB3  LEU  35           HB1      LEU  35 -20.713  -3.684   3.479
 1118    HG   LEU  35           HG       LEU  35 -19.844  -5.220   1.830
 1119   HD11  LEU  35          HD11      LEU  35 -21.143  -7.199   2.414
 1120   HD12  LEU  35          HD12      LEU  35 -21.264  -6.834   0.692
 1121   HD13  LEU  35          HD13      LEU  35 -22.597  -6.432   1.775
 1122   HD21  LEU  35          HD21      LEU  35 -22.471  -4.056   0.939
 1123   HD22  LEU  35          HD22      LEU  35 -21.106  -4.474  -0.096
 1124   HD23  LEU  35          HD23      LEU  35 -20.954  -3.168   1.078
 1125    H    VAL  36           HN       VAL  36 -19.041  -4.283   5.747
 1126    HA   VAL  36           HA       VAL  36 -16.740  -5.339   4.405
 1127    HB   VAL  36           HB       VAL  36 -17.065  -3.691   6.916
 1128   HG11  VAL  36          HG11      VAL  36 -14.573  -3.420   6.835
 1129   HG12  VAL  36          HG12      VAL  36 -14.528  -4.770   5.701
 1130   HG13  VAL  36          HG13      VAL  36 -15.128  -5.015   7.341
 1131   HG21  VAL  36          HG21      VAL  36 -16.036  -1.941   5.580
 1132   HG22  VAL  36          HG22      VAL  36 -17.463  -2.578   4.764
 1133   HG23  VAL  36          HG23      VAL  36 -15.853  -3.058   4.226
 1134    H    ASP  37           HN       ASP  37 -18.290  -5.892   7.538
 1135    HA   ASP  37           HA       ASP  37 -16.521  -7.784   8.588
 1136    HB2  ASP  37           HB2      ASP  37 -19.515  -7.504   8.918
 1137    HB3  ASP  37           HB1      ASP  37 -18.520  -8.596   9.876
 1138    H    SER  38           HN       SER  38 -19.375  -8.190   6.477
 1139    HA   SER  38           HA       SER  38 -19.348 -10.956   6.397
 1140    HB2  SER  38           HB2      SER  38 -20.221  -8.942   4.323
 1141    HB3  SER  38           HB1      SER  38 -20.513 -10.674   4.164
 1142    HG   SER  38           HG       SER  38 -21.287  -9.872   6.592
 1143    H    TYR  39           HN       TYR  39 -17.658  -8.608   4.350
 1144    HA   TYR  39           HA       TYR  39 -16.468 -10.386   2.549
 1145    HB2  TYR  39           HB2      TYR  39 -16.254  -8.187   1.868
 1146    HB3  TYR  39           HB1      TYR  39 -15.846  -7.617   3.484
 1147    HD1  TYR  39           HD2      TYR  39 -14.510  -9.459   0.559
 1148    HD2  TYR  39           HD1      TYR  39 -13.592  -7.375   4.152
 1149    HE1  TYR  39           HE2      TYR  39 -12.126  -9.511  -0.025
 1150    HE2  TYR  39           HE1      TYR  39 -11.213  -7.435   3.588
 1151    HH   TYR  39           HH       TYR  39  -9.673  -8.754   2.201
 1152    H    ARG  40           HN       ARG  40 -15.304  -9.114   5.639
 1153    HA   ARG  40           HA       ARG  40 -12.775 -10.172   5.671
 1154    HB2  ARG  40           HB2      ARG  40 -14.748  -9.558   7.840
 1155    HB3  ARG  40           HB1      ARG  40 -13.185 -10.263   8.238
 1156    HG2  ARG  40           HG2      ARG  40 -12.039  -8.396   7.258
 1157    HG3  ARG  40           HG1      ARG  40 -13.562  -7.717   6.683
 1158    HD2  ARG  40           HD2      ARG  40 -14.312  -7.488   9.017
 1159    HD3  ARG  40           HD1      ARG  40 -12.756  -8.113   9.562
 1160    HE   ARG  40           HE       ARG  40 -12.383  -5.880   7.866
 1161   HH11  ARG  40          HH11      ARG  40 -13.410  -6.729  11.087
 1162   HH12  ARG  40          HH12      ARG  40 -12.936  -5.212  11.775
 1163   HH21  ARG  40          HH21      ARG  40 -11.758  -3.882   8.765
 1164   HH22  ARG  40          HH22      ARG  40 -11.998  -3.594  10.456
 1165    H    GLN  41           HN       GLN  41 -15.788 -11.660   6.738
 1166    HA   GLN  41           HA       GLN  41 -14.727 -14.060   7.700
 1167    HB2  GLN  41           HB2      GLN  41 -17.049 -13.403   8.117
 1168    HB3  GLN  41           HB1      GLN  41 -17.427 -13.594   6.410
 1169    HG2  GLN  41           HG2      GLN  41 -16.979 -15.976   6.559
 1170    HG3  GLN  41           HG1      GLN  41 -16.548 -15.799   8.259
 1171   HE21  GLN  41          HE21      GLN  41 -18.163 -15.443   9.776
 1172   HE22  GLN  41          HE22      GLN  41 -19.834 -15.705   9.425
 1173    H    GLN  42           HN       GLN  42 -15.856 -13.180   4.459
 1174    HA   GLN  42           HA       GLN  42 -15.512 -15.661   3.212
 1175    HB2  GLN  42           HB2      GLN  42 -16.717 -13.731   2.220
 1176    HB3  GLN  42           HB1      GLN  42 -15.173 -12.925   1.973
 1177    HG2  GLN  42           HG2      GLN  42 -15.852 -13.906  -0.090
 1178    HG3  GLN  42           HG1      GLN  42 -14.476 -14.815   0.534
 1179   HE21  GLN  42          HE21      GLN  42 -14.994 -16.639  -0.657
 1180   HE22  GLN  42          HE22      GLN  42 -16.335 -17.653  -0.259
 1181    H    GLN  43           HN       GLN  43 -13.224 -13.194   4.095
 1182    HA   GLN  43           HA       GLN  43 -11.090 -14.439   2.556
 1183    HB2  GLN  43           HB2      GLN  43 -11.104 -12.021   2.617
 1184    HB3  GLN  43           HB1      GLN  43 -11.129 -12.025   4.376
 1185    HG2  GLN  43           HG2      GLN  43  -8.921 -11.487   3.535
 1186    HG3  GLN  43           HG1      GLN  43  -8.905 -13.010   4.419
 1187   HE21  GLN  43          HE21      GLN  43  -7.038 -13.708   3.396
 1188   HE22  GLN  43          HE22      GLN  43  -7.024 -14.223   1.747
 1189    H    GLN  44           HN       GLN  44 -12.405 -14.414   5.727
 1190    HA   GLN  44           HA       GLN  44 -10.144 -15.216   7.204
 1191    HB2  GLN  44           HB2      GLN  44 -12.503 -14.394   7.992
 1192    HB3  GLN  44           HB1      GLN  44 -12.915 -16.100   7.920
 1193    HG2  GLN  44           HG2      GLN  44 -12.223 -15.318  10.165
 1194    HG3  GLN  44           HG1      GLN  44 -11.268 -16.657   9.535
 1195   HE21  GLN  44          HE21      GLN  44 -10.888 -13.317   8.511
 1196   HE22  GLN  44          HE22      GLN  44  -9.323 -13.092   9.201
 1197    H    LEU  45           HN       LEU  45 -12.378 -16.911   5.150
 1198    HA   LEU  45           HA       LEU  45 -11.991 -19.532   6.006
 1199    HB2  LEU  45           HB2      LEU  45 -13.113 -20.148   4.135
 1200    HB3  LEU  45           HB1      LEU  45 -13.460 -18.433   4.060
 1201    HG   LEU  45           HG       LEU  45 -11.239 -18.414   2.590
 1202   HD11  LEU  45          HD11      LEU  45 -10.754 -20.779   2.852
 1203   HD12  LEU  45          HD12      LEU  45 -11.138 -20.413   1.171
 1204   HD13  LEU  45          HD13      LEU  45 -12.338 -21.195   2.199
 1205   HD21  LEU  45          HD21      LEU  45 -12.593 -18.289   0.688
 1206   HD22  LEU  45          HD22      LEU  45 -13.650 -17.794   2.011
 1207   HD23  LEU  45          HD23      LEU  45 -13.775 -19.421   1.344
 1208    H    LEU  46           HN       LEU  46  -9.938 -17.439   4.102
 1209    HA   LEU  46           HA       LEU  46  -7.715 -19.242   4.472
 1210    HB2  LEU  46           HB2      LEU  46  -8.897 -20.008   2.379
 1211    HB3  LEU  46           HB1      LEU  46  -8.483 -18.463   1.663
 1212    HG   LEU  46           HG       LEU  46  -6.251 -20.063   2.793
 1213   HD11  LEU  46          HD11      LEU  46  -6.081 -21.452   0.826
 1214   HD12  LEU  46          HD12      LEU  46  -7.551 -20.741   0.160
 1215   HD13  LEU  46          HD13      LEU  46  -7.633 -21.733   1.616
 1216   HD21  LEU  46          HD21      LEU  46  -5.084 -19.148   0.857
 1217   HD22  LEU  46          HD22      LEU  46  -5.870 -17.870   1.783
 1218   HD23  LEU  46          HD23      LEU  46  -6.590 -18.436   0.277
 1219    H    GLN  47           HN       GLN  47  -6.741 -17.595   5.617
 1220    HA   GLN  47           HA       GLN  47  -6.298 -15.014   4.333
 1221    HB2  GLN  47           HB2      GLN  47  -6.850 -15.553   6.873
 1222    HB3  GLN  47           HB1      GLN  47  -5.105 -15.743   6.971
 1223    HG2  GLN  47           HG2      GLN  47  -6.436 -13.286   5.871
 1224    HG3  GLN  47           HG1      GLN  47  -5.996 -13.478   7.567
 1225   HE21  GLN  47          HE21      GLN  47  -4.836 -13.004   4.334
 1226   HE22  GLN  47          HE22      GLN  47  -3.201 -12.633   4.756
 1227    H    ARG  48           HN       ARG  48  -5.100 -16.866   2.836
 1228    HA   ARG  48           HA       ARG  48  -2.253 -16.401   3.361
 1229    HB2  ARG  48           HB2      ARG  48  -3.456 -19.054   2.551
 1230    HB3  ARG  48           HB1      ARG  48  -1.734 -18.702   2.594
 1231    HG2  ARG  48           HG2      ARG  48  -1.842 -18.347   4.986
 1232    HG3  ARG  48           HG1      ARG  48  -3.584 -18.626   4.964
 1233    HD2  ARG  48           HD2      ARG  48  -1.459 -20.623   4.193
 1234    HD3  ARG  48           HD1      ARG  48  -2.369 -20.615   5.704
 1235    HE   ARG  48           HE       ARG  48  -4.211 -20.675   3.621
 1236   HH11  ARG  48          HH11      ARG  48  -1.695 -22.699   4.933
 1237   HH12  ARG  48          HH12      ARG  48  -2.449 -24.177   4.437
 1238   HH21  ARG  48          HH21      ARG  48  -5.209 -22.615   2.964
 1239   HH22  ARG  48          HH22      ARG  48  -4.446 -24.130   3.317
 1240    H    ASP   1           HT1      ASP   1   5.457  14.430 -16.526
 1241    HA   ASP   1           HA       ASP   1   5.647  15.760 -13.888
 1242    HB2  ASP   1           HB2      ASP   1   3.243  14.752 -15.428
 1243    HB3  ASP   1           HB1      ASP   1   3.205  15.368 -13.779
 1244    H    GLU   2           HN       GLU   2   6.736  14.272 -12.721
 1245    HA   GLU   2           HA       GLU   2   5.417  11.855 -12.010
 1246    HB2  GLU   2           HB2      GLU   2   7.148  10.276 -12.766
 1247    HB3  GLU   2           HB1      GLU   2   6.344  11.064 -14.117
 1248    HG2  GLU   2           HG2      GLU   2   8.237  12.591 -14.352
 1249    HG3  GLU   2           HG1      GLU   2   9.042  11.796 -13.000
 1250    H    ASP   3           HN       ASP   3   7.159  14.373 -11.206
 1251    HA   ASP   3           HA       ASP   3   9.181  13.207  -9.536
 1252    HB2  ASP   3           HB2      ASP   3   8.045  16.011  -9.496
 1253    HB3  ASP   3           HB1      ASP   3   9.531  15.482  -8.715
 1254    H    THR   4           HN       THR   4   8.461  15.164  -7.283
 1255    HA   THR   4           HA       THR   4   7.031  13.254  -5.733
 1256    HB   THR   4           HB       THR   4   7.141  15.964  -4.641
 1257    HG1  THR   4           HG1      THR   4   9.616  14.711  -4.630
 1258   HG21  THR   4          HG21      THR   4   8.072  14.755  -2.696
 1259   HG22  THR   4          HG22      THR   4   8.082  13.272  -3.656
 1260   HG23  THR   4          HG23      THR   4   6.551  14.054  -3.255
 1261    H    TYR   5           HN       TYR   5   5.058  13.336  -4.894
 1262    HA   TYR   5           HA       TYR   5   3.105  15.105  -6.212
 1263    HB2  TYR   5           HB2      TYR   5   3.074  12.154  -5.763
 1264    HB3  TYR   5           HB1      TYR   5   1.597  13.076  -6.029
 1265    HD1  TYR   5           HD1      TYR   5   1.444  14.478  -8.157
 1266    HD2  TYR   5           HD2      TYR   5   4.367  11.446  -7.572
 1267    HE1  TYR   5           HE1      TYR   5   1.784  14.348 -10.586
 1268    HE2  TYR   5           HE2      TYR   5   4.715  11.304 -10.000
 1269    HH   TYR   5           HH       TYR   5   3.509  13.640 -12.165
 1270    H    TYR   6           HN       TYR   6   1.056  15.284  -4.913
 1271    HA   TYR   6           HA       TYR   6   1.551  14.712  -2.068
 1272    HB2  TYR   6           HB2      TYR   6  -0.377  16.814  -3.082
 1273    HB3  TYR   6           HB1      TYR   6   0.260  16.630  -1.454
 1274    HD1  TYR   6           HD1      TYR   6   3.169  16.231  -2.198
 1275    HD2  TYR   6           HD2      TYR   6   0.276  19.048  -3.529
 1276    HE1  TYR   6           HE1      TYR   6   4.969  17.819  -2.703
 1277    HE2  TYR   6           HE2      TYR   6   2.070  20.651  -4.048
 1278    HH   TYR   6           HH       TYR   6   4.386  21.101  -3.383
 1279    H    LEU   7           HN       LEU   7   0.275  13.418  -1.045
 1280    HA   LEU   7           HA       LEU   7  -2.135  12.392  -2.423
 1281    HB2  LEU   7           HB2      LEU   7   0.170  11.127  -1.543
 1282    HB3  LEU   7           HB1      LEU   7  -0.968  10.819  -0.260
 1283    HG   LEU   7           HG       LEU   7  -2.071   9.264  -1.440
 1284   HD11  LEU   7          HD11      LEU   7  -1.898   9.499  -4.135
 1285   HD12  LEU   7          HD12      LEU   7  -1.952  11.191  -3.629
 1286   HD13  LEU   7          HD13      LEU   7  -3.240  10.089  -3.151
 1287   HD21  LEU   7          HD21      LEU   7   0.272   8.631  -1.526
 1288   HD22  LEU   7          HD22      LEU   7   0.441   9.449  -3.079
 1289   HD23  LEU   7          HD23      LEU   7  -0.605   8.035  -2.936
 1290    H    GLN   8           HN       GLN   8  -3.947  13.251  -1.445
 1291    HA   GLN   8           HA       GLN   8  -3.757  13.949   1.345
 1292    HB2  GLN   8           HB2      GLN   8  -5.088  15.115  -0.709
 1293    HB3  GLN   8           HB1      GLN   8  -6.374  14.168   0.025
 1294    HG2  GLN   8           HG2      GLN   8  -5.475  15.254   2.229
 1295    HG3  GLN   8           HG1      GLN   8  -4.852  16.467   1.115
 1296   HE21  GLN   8          HE21      GLN   8  -7.219  15.921  -0.694
 1297   HE22  GLN   8          HE22      GLN   8  -8.522  16.778   0.042
 1298    H    VAL   9           HN       VAL   9  -4.155  12.546   2.861
 1299    HA   VAL   9           HA       VAL   9  -6.014  10.382   2.251
 1300    HB   VAL   9           HB       VAL   9  -3.351  10.204   3.644
 1301   HG11  VAL   9          HG11      VAL   9  -3.900   7.834   4.116
 1302   HG12  VAL   9          HG12      VAL   9  -5.570   8.173   3.660
 1303   HG13  VAL   9          HG13      VAL   9  -4.851   8.988   5.049
 1304   HG21  VAL   9          HG21      VAL   9  -3.436  10.005   1.181
 1305   HG22  VAL   9          HG22      VAL   9  -4.498   8.609   1.363
 1306   HG23  VAL   9          HG23      VAL   9  -2.847   8.546   1.979
 1307    H    ARG  10           HN       ARG  10  -7.612  10.067   3.662
 1308    HA   ARG  10           HA       ARG  10  -7.586  11.768   6.053
 1309    HB2  ARG  10           HB2      ARG  10  -9.467  11.804   4.259
 1310    HB3  ARG  10           HB1      ARG  10 -10.007  10.311   5.013
 1311    HG2  ARG  10           HG2      ARG  10  -9.545  12.742   6.681
 1312    HG3  ARG  10           HG1      ARG  10 -11.030  12.576   5.744
 1313    HD2  ARG  10           HD2      ARG  10 -11.455  10.416   6.848
 1314    HD3  ARG  10           HD1      ARG  10  -9.999  10.640   7.815
 1315    HE   ARG  10           HE       ARG  10 -11.599  12.884   8.187
 1316   HH11  ARG  10          HH11      ARG  10 -11.716   9.461   8.836
 1317   HH12  ARG  10          HH12      ARG  10 -12.722   9.631  10.235
 1318   HH21  ARG  10          HH21      ARG  10 -12.923  13.116  10.027
 1319   HH22  ARG  10          HH22      ARG  10 -13.410  11.708  10.911
 1320    H    GLY  11           HN       GLY  11  -7.805  11.002   8.085
 1321    HA2  GLY  11           HA2      GLY  11  -8.228   9.380   9.742
 1322    HA3  GLY  11           HA1      GLY  11  -8.338   8.156   8.485
 1323    H    ARG  12           HN       ARG  12  -6.596   8.989  11.057
 1324    HA   ARG  12           HA       ARG  12  -3.930   8.991  10.361
 1325    HB2  ARG  12           HB2      ARG  12  -5.115   9.211  12.671
 1326    HB3  ARG  12           HB1      ARG  12  -4.868   7.473  12.767
 1327    HG2  ARG  12           HG2      ARG  12  -3.059   8.505  13.891
 1328    HG3  ARG  12           HG1      ARG  12  -2.434   7.887  12.361
 1329    HD2  ARG  12           HD2      ARG  12  -2.475  10.073  11.388
 1330    HD3  ARG  12           HD1      ARG  12  -3.319  10.733  12.788
 1331    HE   ARG  12           HE       ARG  12  -1.162   9.986  14.004
 1332   HH11  ARG  12          HH11      ARG  12  -1.339  11.262  10.766
 1333   HH12  ARG  12          HH12      ARG  12   0.243  11.965  10.820
 1334   HH21  ARG  12          HH21      ARG  12   0.920  10.909  14.082
 1335   HH22  ARG  12          HH22      ARG  12   1.527  11.764  12.703
 1336    H    GLU  13           HN       GLU  13  -5.905   6.160  11.078
 1337    HA   GLU  13           HA       GLU  13  -3.990   4.188  10.836
 1338    HB2  GLU  13           HB2      GLU  13  -6.384   3.874  11.543
 1339    HB3  GLU  13           HB1      GLU  13  -6.826   3.902   9.841
 1340    HG2  GLU  13           HG2      GLU  13  -6.695   1.642  10.408
 1341    HG3  GLU  13           HG1      GLU  13  -5.205   1.992   9.534
 1342    H    ASN  14           HN       ASN  14  -5.929   5.636   8.243
 1343    HA   ASN  14           HA       ASN  14  -4.880   4.015   6.138
 1344    HB2  ASN  14           HB2      ASN  14  -6.179   6.739   5.980
 1345    HB3  ASN  14           HB1      ASN  14  -5.973   5.596   4.656
 1346   HD21  ASN  14          HD21      ASN  14  -8.424   6.712   5.550
 1347   HD22  ASN  14          HD22      ASN  14  -9.418   5.414   6.107
 1348    H    PHE  15           HN       PHE  15  -4.107   7.260   7.369
 1349    HA   PHE  15           HA       PHE  15  -2.192   7.877   5.425
 1350    HB2  PHE  15           HB2      PHE  15  -3.288   9.541   6.884
 1351    HB3  PHE  15           HB1      PHE  15  -2.460   8.867   8.279
 1352    HD1  PHE  15           HD1      PHE  15  -1.343   9.904   4.867
 1353    HD2  PHE  15           HD2      PHE  15  -0.916  10.330   9.083
 1354    HE1  PHE  15           HE1      PHE  15   0.487  11.494   4.517
 1355    HE2  PHE  15           HE2      PHE  15   0.938  11.914   8.731
 1356    HZ   PHE  15           HZ       PHE  15   1.634  12.498   6.442
 1357    H    GLU  16           HN       GLU  16  -1.725   6.582   8.727
 1358    HA   GLU  16           HA       GLU  16   1.033   6.367   8.631
 1359    HB2  GLU  16           HB2      GLU  16  -0.931   4.560  10.054
 1360    HB3  GLU  16           HB1      GLU  16   0.798   4.607  10.371
 1361    HG2  GLU  16           HG2      GLU  16  -1.126   6.891  10.750
 1362    HG3  GLU  16           HG1      GLU  16  -0.454   5.877  12.026
 1363    H    ILE  17           HN       ILE  17  -1.371   4.183   7.315
 1364    HA   ILE  17           HA       ILE  17   0.472   2.027   6.787
 1365    HB   ILE  17           HB       ILE  17  -2.367   2.541   6.221
 1366   HG12  ILE  17          HG12      ILE  17  -0.979  -0.091   6.623
 1367   HG13  ILE  17          HG11      ILE  17  -1.212   1.013   7.971
 1368   HG21  ILE  17          HG21      ILE  17  -2.507   0.827   4.464
 1369   HG22  ILE  17          HG22      ILE  17  -0.745   0.763   4.398
 1370   HG23  ILE  17          HG23      ILE  17  -1.594   2.238   3.927
 1371   HD11  ILE  17          HD11      ILE  17  -2.929  -0.759   7.775
 1372   HD12  ILE  17          HD12      ILE  17  -3.432  -0.043   6.242
 1373   HD13  ILE  17          HD13      ILE  17  -3.585   0.880   7.739
 1374    H    LEU  18           HN       LEU  18  -0.805   4.789   4.980
 1375    HA   LEU  18           HA       LEU  18   0.453   4.079   2.470
 1376    HB2  LEU  18           HB2      LEU  18  -1.177   6.347   3.529
 1377    HB3  LEU  18           HB1      LEU  18  -0.262   6.539   2.047
 1378    HG   LEU  18           HG       LEU  18  -1.966   4.137   2.154
 1379   HD11  LEU  18          HD11      LEU  18  -4.028   5.192   1.960
 1380   HD12  LEU  18          HD12      LEU  18  -3.302   6.769   1.671
 1381   HD13  LEU  18          HD13      LEU  18  -3.257   6.064   3.285
 1382   HD21  LEU  18          HD21      LEU  18  -1.292   6.288   0.166
 1383   HD22  LEU  18          HD22      LEU  18  -2.516   5.058  -0.145
 1384   HD23  LEU  18          HD23      LEU  18  -0.842   4.583   0.134
 1385    H    MET  19           HN       MET  19   1.194   6.028   5.293
 1386    HA   MET  19           HA       MET  19   3.293   7.494   4.013
 1387    HB2  MET  19           HB2      MET  19   1.855   8.044   6.215
 1388    HB3  MET  19           HB1      MET  19   3.173   7.190   6.997
 1389    HG2  MET  19           HG2      MET  19   3.294   9.744   5.430
 1390    HG3  MET  19           HG1      MET  19   3.651   9.485   7.130
 1391    HE1  MET  19           HE1      MET  19   6.975  10.529   5.106
 1392    HE2  MET  19           HE2      MET  19   5.868  11.067   6.370
 1393    HE3  MET  19           HE3      MET  19   5.309  10.948   4.700
 1394    H    LYS  20           HN       LYS  20   3.053   4.561   5.983
 1395    HA   LYS  20           HA       LYS  20   5.885   4.256   6.229
 1396    HB2  LYS  20           HB2      LYS  20   3.899   3.158   7.576
 1397    HB3  LYS  20           HB1      LYS  20   3.959   1.965   6.288
 1398    HG2  LYS  20           HG2      LYS  20   6.433   2.709   7.795
 1399    HG3  LYS  20           HG1      LYS  20   5.287   1.539   8.450
 1400    HD2  LYS  20           HD2      LYS  20   5.496   0.299   6.258
 1401    HD3  LYS  20           HD1      LYS  20   6.849   1.368   5.884
 1402    HE2  LYS  20           HE2      LYS  20   6.686  -0.342   8.358
 1403    HE3  LYS  20           HE1      LYS  20   7.498  -0.835   6.874
 1404    HZ1  LYS  20           HZ1      LYS  20   8.189   1.532   8.532
 1405    HZ2  LYS  20           HZ2      LYS  20   8.958   1.091   7.092
 1406    HZ3  LYS  20           HZ3      LYS  20   9.066   0.087   8.449
 1407    H    LEU  21           HN       LEU  21   3.406   3.564   3.913
 1408    HA   LEU  21           HA       LEU  21   5.000   1.770   2.343
 1409    HB2  LEU  21           HB2      LEU  21   2.736   1.373   2.025
 1410    HB3  LEU  21           HB1      LEU  21   2.335   3.078   1.995
 1411    HG   LEU  21           HG       LEU  21   3.093   3.309  -0.258
 1412   HD11  LEU  21          HD11      LEU  21   4.872   2.154  -0.902
 1413   HD12  LEU  21          HD12      LEU  21   3.774   0.806  -1.196
 1414   HD13  LEU  21          HD13      LEU  21   4.626   0.933   0.343
 1415   HD21  LEU  21          HD21      LEU  21   1.467   0.827   0.179
 1416   HD22  LEU  21          HD22      LEU  21   1.738   1.531  -1.414
 1417   HD23  LEU  21          HD23      LEU  21   0.894   2.457  -0.172
 1418    H    LYS  22           HN       LYS  22   4.164   5.197   2.201
 1419    HA   LYS  22           HA       LYS  22   5.302   5.832  -0.259
 1420    HB2  LYS  22           HB2      LYS  22   4.012   7.524   0.699
 1421    HB3  LYS  22           HB1      LYS  22   4.741   7.322   2.283
 1422    HG2  LYS  22           HG2      LYS  22   6.882   8.228   1.136
 1423    HG3  LYS  22           HG1      LYS  22   5.758   8.818  -0.089
 1424    HD2  LYS  22           HD2      LYS  22   4.820  10.345   1.311
 1425    HD3  LYS  22           HD1      LYS  22   5.079   9.349   2.745
 1426    HE2  LYS  22           HE2      LYS  22   7.172  10.921   1.250
 1427    HE3  LYS  22           HE1      LYS  22   6.485  11.324   2.824
 1428    HZ1  LYS  22           HZ1      LYS  22   7.504   9.447   3.800
 1429    HZ2  LYS  22           HZ2      LYS  22   8.704  10.188   2.866
 1430    HZ3  LYS  22           HZ3      LYS  22   7.937   8.793   2.301
 1431    H    GLU  23           HN       GLU  23   6.629   5.488   2.956
 1432    HA   GLU  23           HA       GLU  23   9.273   6.340   2.357
 1433    HB2  GLU  23           HB2      GLU  23   8.322   6.218   4.655
 1434    HB3  GLU  23           HB1      GLU  23   8.298   4.468   4.525
 1435    HG2  GLU  23           HG2      GLU  23  10.448   4.284   5.026
 1436    HG3  GLU  23           HG1      GLU  23  10.909   5.616   3.969
 1437    H    SER  24           HN       SER  24   7.781   3.087   2.499
 1438    HA   SER  24           HA       SER  24  10.066   1.657   1.802
 1439    HB2  SER  24           HB2      SER  24   8.635  -0.181   1.421
 1440    HB3  SER  24           HB1      SER  24   7.870   0.771   2.690
 1441    HG   SER  24           HG       SER  24   6.423   0.093   0.999
 1442    H    LEU  25           HN       LEU  25   7.559   3.048  -0.329
 1443    HA   LEU  25           HA       LEU  25   8.624   1.976  -2.770
 1444    HB2  LEU  25           HB2      LEU  25   6.621   4.060  -2.022
 1445    HB3  LEU  25           HB1      LEU  25   7.274   4.078  -3.647
 1446    HG   LEU  25           HG       LEU  25   5.987   1.624  -2.465
 1447   HD11  LEU  25          HD11      LEU  25   4.703   3.821  -4.081
 1448   HD12  LEU  25          HD12      LEU  25   4.350   3.415  -2.402
 1449   HD13  LEU  25          HD13      LEU  25   3.959   2.272  -3.687
 1450   HD21  LEU  25          HD21      LEU  25   5.884   0.837  -4.674
 1451   HD22  LEU  25          HD22      LEU  25   7.503   1.520  -4.512
 1452   HD23  LEU  25          HD23      LEU  25   6.239   2.427  -5.347
 1453    H    GLU  26           HN       GLU  26   8.926   5.096  -1.140
 1454    HA   GLU  26           HA       GLU  26  10.634   6.135  -3.166
 1455    HB2  GLU  26           HB2      GLU  26  10.096   7.084  -0.348
 1456    HB3  GLU  26           HB1      GLU  26  11.167   7.936  -1.452
 1457    HG2  GLU  26           HG2      GLU  26   9.221   8.068  -3.047
 1458    HG3  GLU  26           HG1      GLU  26   8.211   7.488  -1.723
 1459    H    LEU  27           HN       LEU  27  11.219   4.439  -0.132
 1460    HA   LEU  27           HA       LEU  27  14.046   4.889  -0.121
 1461    HB2  LEU  27           HB2      LEU  27  12.181   3.078   1.350
 1462    HB3  LEU  27           HB1      LEU  27  13.896   2.722   1.367
 1463    HG   LEU  27           HG       LEU  27  12.705   5.344   2.270
 1464   HD11  LEU  27          HD11      LEU  27  13.680   3.010   3.909
 1465   HD12  LEU  27          HD12      LEU  27  11.997   3.498   3.710
 1466   HD13  LEU  27          HD13      LEU  27  13.133   4.566   4.533
 1467   HD21  LEU  27          HD21      LEU  27  14.912   5.721   3.240
 1468   HD22  LEU  27          HD22      LEU  27  15.019   5.500   1.494
 1469   HD23  LEU  27          HD23      LEU  27  15.473   4.185   2.579
 1470    H    MET  28           HN       MET  28  11.954   2.787  -1.852
 1471    HA   MET  28           HA       MET  28  13.889   0.758  -2.256
 1472    HB2  MET  28           HB2      MET  28  11.387   0.461  -2.601
 1473    HB3  MET  28           HB1      MET  28  11.562   1.361  -4.103
 1474    HG2  MET  28           HG2      MET  28  13.407  -0.443  -4.572
 1475    HG3  MET  28           HG1      MET  28  12.477  -1.372  -3.407
 1476    HE1  MET  28           HE1      MET  28  10.481  -2.510  -3.745
 1477    HE2  MET  28           HE2      MET  28   9.365  -2.411  -5.110
 1478    HE3  MET  28           HE3      MET  28   9.428  -1.106  -3.926
 1479    H    GLU  29           HN       GLU  29  13.760   3.923  -3.363
 1480    HA   GLU  29           HA       GLU  29  15.060   3.417  -5.921
 1481    HB2  GLU  29           HB2      GLU  29  14.601   5.596  -6.423
 1482    HB3  GLU  29           HB1      GLU  29  13.292   5.258  -5.300
 1483    HG2  GLU  29           HG2      GLU  29  14.719   6.243  -3.488
 1484    HG3  GLU  29           HG1      GLU  29  15.844   6.750  -4.746
 1485    H    LEU  30           HN       LEU  30  15.908   4.042  -2.626
 1486    HA   LEU  30           HA       LEU  30  18.518   5.119  -3.409
 1487    HB2  LEU  30           HB2      LEU  30  18.524   6.308  -1.523
 1488    HB3  LEU  30           HB1      LEU  30  16.811   5.963  -1.489
 1489    HG   LEU  30           HG       LEU  30  18.932   4.458   0.031
 1490   HD11  LEU  30          HD11      LEU  30  18.511   6.765   0.824
 1491   HD12  LEU  30          HD12      LEU  30  18.041   5.533   1.995
 1492   HD13  LEU  30          HD13      LEU  30  16.809   6.348   1.029
 1493   HD21  LEU  30          HD21      LEU  30  15.944   4.171  -0.029
 1494   HD22  LEU  30          HD22      LEU  30  16.972   3.482   1.224
 1495   HD23  LEU  30          HD23      LEU  30  17.148   2.951  -0.448
 1496    H    VAL  31           HN       VAL  31  17.301   2.252  -3.231
 1497    HA   VAL  31           HA       VAL  31  19.520   1.026  -1.753
 1498    HB   VAL  31           HB       VAL  31  17.436   0.098  -1.046
 1499   HG11  VAL  31          HG11      VAL  31  15.864  -0.971  -2.603
 1500   HG12  VAL  31          HG12      VAL  31  16.845  -0.409  -3.957
 1501   HG13  VAL  31          HG13      VAL  31  16.039   0.757  -2.908
 1502   HG21  VAL  31          HG21      VAL  31  17.680  -2.297  -2.103
 1503   HG22  VAL  31          HG22      VAL  31  18.912  -1.649  -1.023
 1504   HG23  VAL  31          HG23      VAL  31  19.160  -1.612  -2.768
 1505    HA   PRO  32           HA       PRO  32  21.776   0.547  -5.577
 1506    HB2  PRO  32           HB2      PRO  32  22.493  -2.005  -4.166
 1507    HB3  PRO  32           HB1      PRO  32  23.538  -0.890  -5.055
 1508    HG2  PRO  32           HG2      PRO  32  23.432  -0.855  -2.381
 1509    HG3  PRO  32           HG1      PRO  32  23.616   0.636  -3.320
 1510    HD2  PRO  32           HD2      PRO  32  21.282  -0.352  -1.803
 1511    HD3  PRO  32           HD1      PRO  32  21.696   1.306  -2.284
 1512    H    GLN  33           HN       GLN  33  20.934  -0.154  -7.428
 1513    HA   GLN  33           HA       GLN  33  18.710  -1.743  -7.692
 1514    HB2  GLN  33           HB2      GLN  33  19.477  -0.211  -9.425
 1515    HB3  GLN  33           HB1      GLN  33  20.864  -1.241  -9.746
 1516    HG2  GLN  33           HG2      GLN  33  19.397  -3.020 -10.503
 1517    HG3  GLN  33           HG1      GLN  33  17.985  -2.031 -10.130
 1518   HE21  GLN  33          HE21      GLN  33  20.676  -2.498 -12.276
 1519   HE22  GLN  33          HE22      GLN  33  20.124  -1.445 -13.529
 1520    HA   PRO  34           HA       PRO  34  21.605  -5.458  -8.975
 1521    HB2  PRO  34           HB2      PRO  34  23.855  -4.974  -7.091
 1522    HB3  PRO  34           HB1      PRO  34  23.888  -5.596  -8.745
 1523    HG2  PRO  34           HG2      PRO  34  24.678  -3.106  -8.203
 1524    HG3  PRO  34           HG1      PRO  34  23.777  -3.480  -9.684
 1525    HD2  PRO  34           HD2      PRO  34  22.820  -2.210  -7.150
 1526    HD3  PRO  34           HD1      PRO  34  22.400  -1.828  -8.832
 1527    H    LEU  35           HN       LEU  35  21.377  -4.044  -5.783
 1528    HA   LEU  35           HA       LEU  35  21.344  -6.551  -4.375
 1529    HB2  LEU  35           HB2      LEU  35  22.280  -4.492  -3.387
 1530    HB3  LEU  35           HB1      LEU  35  20.703  -3.736  -3.476
 1531    HG   LEU  35           HG       LEU  35  19.830  -5.270  -1.829
 1532   HD11  LEU  35          HD11      LEU  35  21.124  -7.253  -2.415
 1533   HD12  LEU  35          HD12      LEU  35  21.246  -6.889  -0.693
 1534   HD13  LEU  35          HD13      LEU  35  22.580  -6.490  -1.776
 1535   HD21  LEU  35          HD21      LEU  35  22.460  -4.113  -0.939
 1536   HD22  LEU  35          HD22      LEU  35  21.094  -4.529   0.097
 1537   HD23  LEU  35          HD23      LEU  35  20.944  -3.222  -1.077
 1538    H    VAL  36           HN       VAL  36  19.030  -4.329  -5.746
 1539    HA   VAL  36           HA       VAL  36  16.725  -5.380  -4.405
 1540    HB   VAL  36           HB       VAL  36  17.056  -3.732  -6.915
 1541   HG11  VAL  36          HG11      VAL  36  14.565  -3.453  -6.833
 1542   HG12  VAL  36          HG12      VAL  36  14.516  -4.804  -5.701
 1543   HG13  VAL  36          HG13      VAL  36  15.115  -5.049  -7.340
 1544   HG21  VAL  36          HG21      VAL  36  16.031  -1.980  -5.579
 1545   HG22  VAL  36          HG22      VAL  36  17.456  -2.621  -4.762
 1546   HG23  VAL  36          HG23      VAL  36  15.844  -3.096  -4.226
 1547    H    ASP  37           HN       ASP  37  18.275  -5.937  -7.538
 1548    HA   ASP  37           HA       ASP  37  16.501  -7.823  -8.588
 1549    HB2  ASP  37           HB2      ASP  37  19.495  -7.550  -8.920
 1550    HB3  ASP  37           HB1      ASP  37  18.496  -8.639  -9.878
 1551    H    SER  38           HN       SER  38  19.354  -8.237  -6.477
 1552    HA   SER  38           HA       SER  38  19.318 -11.003  -6.399
 1553    HB2  SER  38           HB2      SER  38  20.198  -8.993  -4.323
 1554    HB3  SER  38           HB1      SER  38  20.486 -10.726  -4.166
 1555    HG   SER  38           HG       SER  38  21.260  -9.926  -6.594
 1556    H    TYR  39           HN       TYR  39  17.635  -8.652  -4.350
 1557    HA   TYR  39           HA       TYR  39  16.441 -10.427  -2.550
 1558    HB2  TYR  39           HB2      TYR  39  16.232  -8.228  -1.869
 1559    HB3  TYR  39           HB1      TYR  39  15.826  -7.656  -3.485
 1560    HD1  TYR  39           HD2      TYR  39  14.485  -9.495  -0.560
 1561    HD2  TYR  39           HD1      TYR  39  13.572  -7.409  -4.154
 1562    HE1  TYR  39           HE2      TYR  39  12.101  -9.542   0.024
 1563    HE2  TYR  39           HE1      TYR  39  11.192  -7.464  -3.589
 1564    HH   TYR  39           HH       TYR  39   9.651  -8.777  -2.202
 1565    H    ARG  40           HN       ARG  40  15.280  -9.150  -5.640
 1566    HA   ARG  40           HA       ARG  40  12.748 -10.201  -5.671
 1567    HB2  ARG  40           HB2      ARG  40  14.722  -9.593  -7.841
 1568    HB3  ARG  40           HB1      ARG  40  13.157 -10.294  -8.239
 1569    HG2  ARG  40           HG2      ARG  40  12.016  -8.424  -7.258
 1570    HG3  ARG  40           HG1      ARG  40  13.541  -7.749  -6.683
 1571    HD2  ARG  40           HD2      ARG  40  14.291  -7.520  -9.016
 1572    HD3  ARG  40           HD1      ARG  40  12.734  -8.142  -9.562
 1573    HE   ARG  40           HE       ARG  40  12.366  -5.908  -7.865
 1574   HH11  ARG  40          HH11      ARG  40  13.391  -6.759 -11.087
 1575   HH12  ARG  40          HH12      ARG  40  12.923  -5.240 -11.774
 1576   HH21  ARG  40          HH21      ARG  40  11.747  -3.909  -8.762
 1577   HH22  ARG  40          HH22      ARG  40  11.987  -3.619 -10.453
 1578    H    GLN  41           HN       GLN  41  15.756 -11.697  -6.742
 1579    HA   GLN  41           HA       GLN  41  14.689 -14.094  -7.702
 1580    HB2  GLN  41           HB2      GLN  41  17.013 -13.443  -8.119
 1581    HB3  GLN  41           HB1      GLN  41  17.390 -13.636  -6.412
 1582    HG2  GLN  41           HG2      GLN  41  16.936 -16.016  -6.563
 1583    HG3  GLN  41           HG1      GLN  41  16.506 -15.838  -8.263
 1584   HE21  GLN  41          HE21      GLN  41  18.121 -15.487  -9.780
 1585   HE22  GLN  41          HE22      GLN  41  19.792 -15.752  -9.430
 1586    H    GLN  42           HN       GLN  42  15.820 -13.217  -4.461
 1587    HA   GLN  42           HA       GLN  42  15.471 -15.699  -3.215
 1588    HB2  GLN  42           HB2      GLN  42  16.680 -13.772  -2.223
 1589    HB3  GLN  42           HB1      GLN  42  15.138 -12.963  -1.975
 1590    HG2  GLN  42           HG2      GLN  42  15.816 -13.947   0.087
 1591    HG3  GLN  42           HG1      GLN  42  14.437 -14.852  -0.537
 1592   HE21  GLN  42          HE21      GLN  42  14.951 -16.677   0.653
 1593   HE22  GLN  42          HE22      GLN  42  16.289 -17.695   0.254
 1594    H    GLN  43           HN       GLN  43  13.189 -13.225  -4.096
 1595    HA   GLN  43           HA       GLN  43  11.052 -14.467  -2.559
 1596    HB2  GLN  43           HB2      GLN  43  11.072 -12.048  -2.619
 1597    HB3  GLN  43           HB1      GLN  43  11.098 -12.053  -4.377
 1598    HG2  GLN  43           HG2      GLN  43   8.891 -11.509  -3.537
 1599    HG3  GLN  43           HG1      GLN  43   8.871 -13.033  -4.420
 1600   HE21  GLN  43          HE21      GLN  43   7.002 -13.725  -3.398
 1601   HE22  GLN  43          HE22      GLN  43   6.987 -14.239  -1.749
 1602    H    GLN  44           HN       GLN  44  12.368 -14.443  -5.730
 1603    HA   GLN  44           HA       GLN  44  10.103 -15.238  -7.207
 1604    HB2  GLN  44           HB2      GLN  44  12.465 -14.423  -7.995
 1605    HB3  GLN  44           HB1      GLN  44  12.871 -16.130  -7.924
 1606    HG2  GLN  44           HG2      GLN  44  12.181 -15.343 -10.168
 1607    HG3  GLN  44           HG1      GLN  44  11.223 -16.681  -9.539
 1608   HE21  GLN  44          HE21      GLN  44  10.851 -13.341  -8.514
 1609   HE22  GLN  44          HE22      GLN  44   9.288 -13.112  -9.204
 1610    H    LEU  45           HN       LEU  45  12.333 -16.940  -5.154
 1611    HA   LEU  45           HA       LEU  45  11.939 -19.560  -6.011
 1612    HB2  LEU  45           HB2      LEU  45  13.060 -20.179  -4.141
 1613    HB3  LEU  45           HB1      LEU  45  13.411 -18.465  -4.065
 1614    HG   LEU  45           HG       LEU  45  11.189 -18.441  -2.595
 1615   HD11  LEU  45          HD11      LEU  45  10.698 -20.805  -2.858
 1616   HD12  LEU  45          HD12      LEU  45  11.085 -20.441  -1.177
 1617   HD13  LEU  45          HD13      LEU  45  12.282 -21.225  -2.206
 1618   HD21  LEU  45          HD21      LEU  45  12.544 -18.319  -0.693
 1619   HD22  LEU  45          HD22      LEU  45  13.602 -17.826  -2.016
 1620   HD23  LEU  45          HD23      LEU  45  13.724 -19.453  -1.350
 1621    H    LEU  46           HN       LEU  46   9.891 -17.462  -4.106
 1622    HA   LEU  46           HA       LEU  46   7.664 -19.259  -4.477
 1623    HB2  LEU  46           HB2      LEU  46   8.845 -20.029  -2.384
 1624    HB3  LEU  46           HB1      LEU  46   8.434 -18.483  -1.667
 1625    HG   LEU  46           HG       LEU  46   6.199 -20.077  -2.799
 1626   HD11  LEU  46          HD11      LEU  46   6.025 -21.467  -0.831
 1627   HD12  LEU  46          HD12      LEU  46   7.497 -20.760  -0.166
 1628   HD13  LEU  46          HD13      LEU  46   7.576 -21.752  -1.622
 1629   HD21  LEU  46          HD21      LEU  46   5.035 -19.160  -0.862
 1630   HD22  LEU  46          HD22      LEU  46   5.823 -17.884  -1.788
 1631   HD23  LEU  46          HD23      LEU  46   6.542 -18.452  -0.282
 1632    H    GLN  47           HN       GLN  47   6.696 -17.609  -5.621
 1633    HA   GLN  47           HA       GLN  47   6.259 -15.028  -4.337
 1634    HB2  GLN  47           HB2      GLN  47   6.808 -15.568  -6.877
 1635    HB3  GLN  47           HB1      GLN  47   5.062 -15.753  -6.975
 1636    HG2  GLN  47           HG2      GLN  47   6.401 -13.300  -5.873
 1637    HG3  GLN  47           HG1      GLN  47   5.961 -13.490  -7.569
 1638   HE21  GLN  47          HE21      GLN  47   4.802 -13.014  -4.336
 1639   HE22  GLN  47          HE22      GLN  47   3.169 -12.640  -4.758
 1640    H    ARG  48           HN       ARG  48   5.056 -16.876  -2.839
 1641    HA   ARG  48           HA       ARG  48   2.211 -16.405  -3.365
 1642    HB2  ARG  48           HB2      ARG  48   3.406 -19.061  -2.557
 1643    HB3  ARG  48           HB1      ARG  48   1.685 -18.705  -2.599
 1644    HG2  ARG  48           HG2      ARG  48   1.793 -18.349  -4.991
 1645    HG3  ARG  48           HG1      ARG  48   3.535 -18.631  -4.969
 1646    HD2  ARG  48           HD2      ARG  48   1.406 -20.624  -4.200
 1647    HD3  ARG  48           HD1      ARG  48   2.317 -20.618  -5.709
 1648    HE   ARG  48           HE       ARG  48   4.157 -20.683  -3.624
 1649   HH11  ARG  48          HH11      ARG  48   1.636 -22.701  -4.938
 1650   HH12  ARG  48          HH12      ARG  48   2.388 -24.181  -4.444
 1651   HH21  ARG  48          HH21      ARG  48   5.151 -22.627  -2.970
 1652   HH22  ARG  48          HH22      ARG  48   4.385 -24.139  -3.325
  Start of MODEL    7
    1    H    ASP   1           HT1      ASP   1   7.914  15.093 -15.158
    2    HA   ASP   1           HA       ASP   1   6.136  15.937 -13.791
    3    HB2  ASP   1           HB2      ASP   1   4.340  14.738 -15.914
    4    HB3  ASP   1           HB1      ASP   1   3.800  15.432 -14.389
    5    H    GLU   2           HN       GLU   2   7.324  14.397 -12.588
    6    HA   GLU   2           HA       GLU   2   5.836  12.085 -11.867
    7    HB2  GLU   2           HB2      GLU   2   7.520  10.385 -12.465
    8    HB3  GLU   2           HB1      GLU   2   6.819  11.150 -13.884
    9    HG2  GLU   2           HG2      GLU   2   8.795  12.557 -14.113
   10    HG3  GLU   2           HG1      GLU   2   9.495  11.812 -12.677
   11    H    ASP   3           HN       ASP   3   7.508  14.534 -10.958
   12    HA   ASP   3           HA       ASP   3   9.477  13.376  -9.215
   13    HB2  ASP   3           HB2      ASP   3   8.304  16.165  -9.213
   14    HB3  ASP   3           HB1      ASP   3   9.744  15.647  -8.342
   15    H    THR   4           HN       THR   4   8.615  15.308  -6.980
   16    HA   THR   4           HA       THR   4   7.142  13.350  -5.529
   17    HB   THR   4           HB       THR   4   7.169  16.007  -4.337
   18    HG1  THR   4           HG1      THR   4   9.395  16.132  -4.110
   19   HG21  THR   4          HG21      THR   4   6.649  14.036  -3.041
   20   HG22  THR   4          HG22      THR   4   8.162  14.732  -2.460
   21   HG23  THR   4          HG23      THR   4   8.189  13.300  -3.493
   22    H    TYR   5           HN       TYR   5   5.134  13.395  -4.777
   23    HA   TYR   5           HA       TYR   5   3.241  15.222  -6.097
   24    HB2  TYR   5           HB2      TYR   5   3.148  12.256  -5.735
   25    HB3  TYR   5           HB1      TYR   5   1.707  13.215  -6.064
   26    HD1  TYR   5           HD2      TYR   5   1.699  14.665  -8.160
   27    HD2  TYR   5           HD1      TYR   5   4.546  11.579  -7.483
   28    HE1  TYR   5           HE2      TYR   5   2.188  14.599 -10.566
   29    HE2  TYR   5           HE1      TYR   5   5.044  11.501  -9.888
   30    HH   TYR   5           HH       TYR   5   3.989  13.913 -12.057
   31    H    TYR   6           HN       TYR   6   1.151  15.406  -4.813
   32    HA   TYR   6           HA       TYR   6   1.594  14.706  -1.998
   33    HB2  TYR   6           HB2      TYR   6  -0.291  16.860  -2.983
   34    HB3  TYR   6           HB1      TYR   6   0.296  16.611  -1.343
   35    HD1  TYR   6           HD1      TYR   6   3.217  16.170  -2.018
   36    HD2  TYR   6           HD2      TYR   6   0.427  19.096  -3.337
   37    HE1  TYR   6           HE1      TYR   6   5.066  17.728  -2.427
   38    HE2  TYR   6           HE2      TYR   6   2.271  20.669  -3.757
   39    HH   TYR   6           HH       TYR   6   4.583  21.040  -3.010
   40    H    LEU   7           HN       LEU   7   0.310  13.350  -1.044
   41    HA   LEU   7           HA       LEU   7  -2.091  12.394  -2.470
   42    HB2  LEU   7           HB2      LEU   7   0.189  11.096  -1.593
   43    HB3  LEU   7           HB1      LEU   7  -0.965  10.766  -0.332
   44    HG   LEU   7           HG       LEU   7  -2.094   9.277  -1.577
   45   HD11  LEU   7          HD11      LEU   7  -3.189  10.156  -3.299
   46   HD12  LEU   7          HD12      LEU   7  -1.826   9.580  -4.260
   47   HD13  LEU   7          HD13      LEU   7  -1.872  11.252  -3.702
   48   HD21  LEU   7          HD21      LEU   7   0.284   8.658  -1.597
   49   HD22  LEU   7          HD22      LEU   7   0.428   9.396  -3.193
   50   HD23  LEU   7          HD23      LEU   7  -0.621   7.996  -2.961
   51    H    GLN   8           HN       GLN   8  -3.825  13.448  -1.537
   52    HA   GLN   8           HA       GLN   8  -3.861  13.961   1.240
   53    HB2  GLN   8           HB2      GLN   8  -5.062  15.059  -0.894
   54    HB3  GLN   8           HB1      GLN   8  -6.364  14.036  -0.321
   55    HG2  GLN   8           HG2      GLN   8  -5.834  15.155   1.965
   56    HG3  GLN   8           HG1      GLN   8  -5.126  16.404   0.940
   57   HE21  GLN   8          HE21      GLN   8  -6.595  17.965   1.227
   58   HE22  GLN   8          HE22      GLN   8  -8.246  17.857   0.732
   59    H    VAL   9           HN       VAL   9  -4.112  12.480   2.691
   60    HA   VAL   9           HA       VAL   9  -5.964  10.302   2.103
   61    HB   VAL   9           HB       VAL   9  -3.411  10.247   3.713
   62   HG11  VAL   9          HG11      VAL   9  -5.022   9.013   4.982
   63   HG12  VAL   9          HG12      VAL   9  -3.907   7.886   4.208
   64   HG13  VAL   9          HG13      VAL   9  -5.527   8.117   3.548
   65   HG21  VAL   9          HG21      VAL   9  -2.677   8.600   2.135
   66   HG22  VAL   9          HG22      VAL   9  -3.265  10.008   1.250
   67   HG23  VAL   9          HG23      VAL   9  -4.265   8.561   1.371
   68    H    ARG  10           HN       ARG  10  -7.666  10.049   3.448
   69    HA   ARG  10           HA       ARG  10  -7.750  11.832   5.779
   70    HB2  ARG  10           HB2      ARG  10  -9.548  11.824   3.883
   71    HB3  ARG  10           HB1      ARG  10 -10.141  10.374   4.680
   72    HG2  ARG  10           HG2      ARG  10  -9.722  12.907   6.216
   73    HG3  ARG  10           HG1      ARG  10 -11.192  12.641   5.279
   74    HD2  ARG  10           HD2      ARG  10 -11.573  10.550   6.534
   75    HD3  ARG  10           HD1      ARG  10 -10.143  10.896   7.504
   76    HE   ARG  10           HE       ARG  10 -11.841  13.103   7.658
   77   HH11  ARG  10          HH11      ARG  10 -11.781   9.755   8.623
   78   HH12  ARG  10          HH12      ARG  10 -12.798  10.002  10.003
   79   HH21  ARG  10          HH21      ARG  10 -13.179  13.437   9.473
   80   HH22  ARG  10          HH22      ARG  10 -13.592  12.095  10.487
   81    H    GLY  11           HN       GLY  11  -7.989  11.114   7.791
   82    HA2  GLY  11           HA2      GLY  11  -8.525   9.517   9.465
   83    HA3  GLY  11           HA1      GLY  11  -8.557   8.267   8.229
   84    H    ARG  12           HN       ARG  12  -6.959   9.167  10.863
   85    HA   ARG  12           HA       ARG  12  -4.253   9.180  10.289
   86    HB2  ARG  12           HB2      ARG  12  -5.535   9.462  12.541
   87    HB3  ARG  12           HB1      ARG  12  -5.296   7.727  12.695
   88    HG2  ARG  12           HG2      ARG  12  -3.534   8.780  13.867
   89    HG3  ARG  12           HG1      ARG  12  -2.846   8.134  12.376
   90    HD2  ARG  12           HD2      ARG  12  -2.847  10.298  11.359
   91    HD3  ARG  12           HD1      ARG  12  -3.753  10.986  12.705
   92    HE   ARG  12           HE       ARG  12  -1.632  10.235  14.017
   93   HH11  ARG  12          HH11      ARG  12  -1.738  11.581  10.805
   94   HH12  ARG  12          HH12      ARG  12  -0.172  12.312  10.922
   95   HH21  ARG  12          HH21      ARG  12   0.429  11.193  14.179
   96   HH22  ARG  12          HH22      ARG  12   1.060  12.091  12.839
   97    H    GLU  13           HN       GLU  13  -6.229   6.251  10.937
   98    HA   GLU  13           HA       GLU  13  -4.193   4.409  10.830
   99    HB2  GLU  13           HB2      GLU  13  -6.588   3.975  11.419
  100    HB3  GLU  13           HB1      GLU  13  -6.957   3.978   9.699
  101    HG2  GLU  13           HG2      GLU  13  -6.741   1.726  10.298
  102    HG3  GLU  13           HG1      GLU  13  -5.246   2.145   9.463
  103    H    ASN  14           HN       ASN  14  -6.080   5.667   8.098
  104    HA   ASN  14           HA       ASN  14  -4.832   4.090   6.096
  105    HB2  ASN  14           HB2      ASN  14  -6.192   6.775   5.805
  106    HB3  ASN  14           HB1      ASN  14  -5.900   5.599   4.528
  107   HD21  ASN  14          HD21      ASN  14  -8.410   6.726   5.369
  108   HD22  ASN  14          HD22      ASN  14  -9.404   5.409   5.880
  109    H    PHE  15           HN       PHE  15  -4.279   7.384   7.287
  110    HA   PHE  15           HA       PHE  15  -2.305   8.155   5.492
  111    HB2  PHE  15           HB2      PHE  15  -3.448   9.651   7.109
  112    HB3  PHE  15           HB1      PHE  15  -2.503   8.928   8.406
  113    HD1  PHE  15           HD1      PHE  15  -1.412   9.913   4.980
  114    HD2  PHE  15           HD2      PHE  15  -1.171  10.660   9.172
  115    HE1  PHE  15           HE1      PHE  15   0.367  11.539   4.580
  116    HE2  PHE  15           HE2      PHE  15   0.641  12.288   8.764
  117    HZ   PHE  15           HZ       PHE  15   1.402  12.724   6.459
  118    H    GLU  16           HN       GLU  16  -1.961   6.504   8.619
  119    HA   GLU  16           HA       GLU  16   0.871   6.361   8.655
  120    HB2  GLU  16           HB2      GLU  16  -1.193   4.556   9.929
  121    HB3  GLU  16           HB1      GLU  16   0.524   4.553  10.306
  122    HG2  GLU  16           HG2      GLU  16  -1.353   6.870  10.708
  123    HG3  GLU  16           HG1      GLU  16  -0.782   5.775  11.966
  124    H    ILE  17           HN       ILE  17  -1.526   3.999   7.425
  125    HA   ILE  17           HA       ILE  17   0.418   2.054   6.781
  126    HB   ILE  17           HB       ILE  17  -2.420   2.477   6.138
  127   HG12  ILE  17          HG12      ILE  17  -0.981  -0.126   6.536
  128   HG13  ILE  17          HG11      ILE  17  -1.256   0.952   7.898
  129   HG21  ILE  17          HG21      ILE  17  -1.537   2.235   3.869
  130   HG22  ILE  17          HG22      ILE  17  -2.467   0.812   4.345
  131   HG23  ILE  17          HG23      ILE  17  -0.703   0.756   4.351
  132   HD11  ILE  17          HD11      ILE  17  -3.626   0.781   7.622
  133   HD12  ILE  17          HD12      ILE  17  -2.940  -0.847   7.646
  134   HD13  ILE  17          HD13      ILE  17  -3.432  -0.117   6.115
  135    H    LEU  18           HN       LEU  18  -0.935   4.770   4.900
  136    HA   LEU  18           HA       LEU  18   0.458   4.045   2.498
  137    HB2  LEU  18           HB2      LEU  18  -1.151   6.409   3.408
  138    HB3  LEU  18           HB1      LEU  18  -0.262   6.438   1.898
  139    HG   LEU  18           HG       LEU  18  -2.063   4.124   2.292
  140   HD11  LEU  18          HD11      LEU  18  -3.277   6.184   3.180
  141   HD12  LEU  18          HD12      LEU  18  -4.065   5.272   1.893
  142   HD13  LEU  18          HD13      LEU  18  -3.227   6.776   1.520
  143   HD21  LEU  18          HD21      LEU  18  -2.553   4.678  -0.097
  144   HD22  LEU  18          HD22      LEU  18  -0.862   4.309   0.240
  145   HD23  LEU  18          HD23      LEU  18  -1.373   5.983   0.026
  146    H    MET  19           HN       MET  19   0.954   6.288   5.189
  147    HA   MET  19           HA       MET  19   3.107   7.700   4.060
  148    HB2  MET  19           HB2      MET  19   1.704   8.121   6.284
  149    HB3  MET  19           HB1      MET  19   3.013   7.220   7.025
  150    HG2  MET  19           HG2      MET  19   3.160   9.848   5.582
  151    HG3  MET  19           HG1      MET  19   3.484   9.514   7.277
  152    HE1  MET  19           HE1      MET  19   6.819  10.620   5.282
  153    HE2  MET  19           HE2      MET  19   5.741  11.120   6.586
  154    HE3  MET  19           HE3      MET  19   5.146  11.056   4.925
  155    H    LYS  20           HN       LYS  20   3.109   4.927   6.269
  156    HA   LYS  20           HA       LYS  20   5.862   4.452   6.361
  157    HB2  LYS  20           HB2      LYS  20   3.851   3.313   7.584
  158    HB3  LYS  20           HB1      LYS  20   3.879   2.215   6.212
  159    HG2  LYS  20           HG2      LYS  20   6.355   2.768   7.802
  160    HG3  LYS  20           HG1      LYS  20   5.174   1.567   8.325
  161    HD2  LYS  20           HD2      LYS  20   5.407   0.462   6.108
  162    HD3  LYS  20           HD1      LYS  20   6.695   1.604   5.722
  163    HE2  LYS  20           HE2      LYS  20   6.721  -0.258   8.090
  164    HE3  LYS  20           HE1      LYS  20   7.504  -0.599   6.548
  165    HZ1  LYS  20           HZ1      LYS  20   8.888   1.350   6.850
  166    HZ2  LYS  20           HZ2      LYS  20   9.056   0.308   8.172
  167    HZ3  LYS  20           HZ3      LYS  20   8.119   1.709   8.314
  168    H    LEU  21           HN       LEU  21   3.401   3.632   4.022
  169    HA   LEU  21           HA       LEU  21   5.065   2.014   2.392
  170    HB2  LEU  21           HB2      LEU  21   2.461   2.200   2.581
  171    HB3  LEU  21           HB1      LEU  21   2.635   3.467   1.392
  172    HG   LEU  21           HG       LEU  21   3.059   0.527   1.096
  173   HD11  LEU  21          HD11      LEU  21   1.602   0.796  -0.786
  174   HD12  LEU  21          HD12      LEU  21   1.668   2.550  -0.642
  175   HD13  LEU  21          HD13      LEU  21   0.879   1.593   0.610
  176   HD21  LEU  21          HD21      LEU  21   4.171   2.634  -0.749
  177   HD22  LEU  21          HD22      LEU  21   4.071   0.909  -1.104
  178   HD23  LEU  21          HD23      LEU  21   5.102   1.481   0.206
  179    H    LYS  22           HN       LYS  22   4.217   5.458   2.292
  180    HA   LYS  22           HA       LYS  22   5.299   6.103  -0.185
  181    HB2  LYS  22           HB2      LYS  22   4.011   7.736   1.043
  182    HB3  LYS  22           HB1      LYS  22   5.149   7.700   2.382
  183    HG2  LYS  22           HG2      LYS  22   6.590   8.386   0.040
  184    HG3  LYS  22           HG1      LYS  22   5.140   9.386   0.103
  185    HD2  LYS  22           HD2      LYS  22   6.771   9.054   2.577
  186    HD3  LYS  22           HD1      LYS  22   7.356  10.131   1.309
  187    HE2  LYS  22           HE2      LYS  22   5.052  11.213   1.380
  188    HE3  LYS  22           HE1      LYS  22   4.794  10.311   2.872
  189    HZ1  LYS  22           HZ1      LYS  22   5.578  12.411   3.507
  190    HZ2  LYS  22           HZ2      LYS  22   6.799  12.417   2.338
  191    HZ3  LYS  22           HZ3      LYS  22   6.913  11.385   3.672
  192    H    GLU  23           HN       GLU  23   6.750   5.714   2.963
  193    HA   GLU  23           HA       GLU  23   9.375   6.536   2.256
  194    HB2  GLU  23           HB2      GLU  23   9.023   6.591   4.544
  195    HB3  GLU  23           HB1      GLU  23   8.088   5.104   4.542
  196    HG2  GLU  23           HG2      GLU  23  10.074   3.787   4.343
  197    HG3  GLU  23           HG1      GLU  23  11.062   5.233   4.136
  198    H    SER  24           HN       SER  24   7.867   3.299   2.444
  199    HA   SER  24           HA       SER  24  10.185   1.950   1.701
  200    HB2  SER  24           HB2      SER  24   8.816   0.026   1.247
  201    HB3  SER  24           HB1      SER  24   8.144   0.864   2.646
  202    HG   SER  24           HG       SER  24   6.379   1.195   1.564
  203    H    LEU  25           HN       LEU  25   7.539   3.153  -0.363
  204    HA   LEU  25           HA       LEU  25   8.536   2.136  -2.822
  205    HB2  LEU  25           HB2      LEU  25   6.559   4.230  -2.041
  206    HB3  LEU  25           HB1      LEU  25   7.104   4.142  -3.703
  207    HG   LEU  25           HG       LEU  25   5.855   1.826  -2.227
  208   HD11  LEU  25          HD11      LEU  25   3.867   2.324  -3.644
  209   HD12  LEU  25          HD12      LEU  25   4.626   3.856  -4.078
  210   HD13  LEU  25          HD13      LEU  25   4.194   3.529  -2.400
  211   HD21  LEU  25          HD21      LEU  25   7.326   1.249  -4.132
  212   HD22  LEU  25          HD22      LEU  25   6.317   2.257  -5.176
  213   HD23  LEU  25          HD23      LEU  25   5.634   0.822  -4.404
  214    H    GLU  26           HN       GLU  26   8.933   5.313  -1.279
  215    HA   GLU  26           HA       GLU  26  10.383   6.456  -3.423
  216    HB2  GLU  26           HB2      GLU  26  10.072   7.155  -0.526
  217    HB3  GLU  26           HB1      GLU  26  11.207   8.034  -1.542
  218    HG2  GLU  26           HG2      GLU  26   9.265   8.440  -3.116
  219    HG3  GLU  26           HG1      GLU  26   8.226   7.846  -1.821
  220    H    LEU  27           HN       LEU  27  11.402   4.803  -0.474
  221    HA   LEU  27           HA       LEU  27  14.206   5.160  -0.765
  222    HB2  LEU  27           HB2      LEU  27  12.499   3.179   0.691
  223    HB3  LEU  27           HB1      LEU  27  14.247   3.082   0.686
  224    HG   LEU  27           HG       LEU  27  12.822   5.554   1.625
  225   HD11  LEU  27          HD11      LEU  27  13.621   3.148   3.260
  226   HD12  LEU  27          HD12      LEU  27  11.969   3.663   2.916
  227   HD13  LEU  27          HD13      LEU  27  13.024   4.680   3.897
  228   HD21  LEU  27          HD21      LEU  27  14.906   5.885   2.866
  229   HD22  LEU  27          HD22      LEU  27  15.210   5.747   1.134
  230   HD23  LEU  27          HD23      LEU  27  15.544   4.380   2.200
  231    H    MET  28           HN       MET  28  12.035   2.768  -2.292
  232    HA   MET  28           HA       MET  28  13.987   0.944  -2.814
  233    HB2  MET  28           HB2      MET  28  11.435   1.610  -4.157
  234    HB3  MET  28           HB1      MET  28  12.566   0.675  -5.123
  235    HG2  MET  28           HG2      MET  28  10.811  -0.565  -3.726
  236    HG3  MET  28           HG1      MET  28  12.470  -1.152  -3.707
  237    HE1  MET  28           HE1      MET  28  13.759  -1.544  -2.025
  238    HE2  MET  28           HE2      MET  28  13.535  -1.207  -0.309
  239    HE3  MET  28           HE3      MET  28  14.198   0.033  -1.369
  240    H    GLU  29           HN       GLU  29  14.032   4.090  -3.958
  241    HA   GLU  29           HA       GLU  29  15.603   3.448  -6.315
  242    HB2  GLU  29           HB2      GLU  29  15.469   5.725  -6.872
  243    HB3  GLU  29           HB1      GLU  29  13.904   5.357  -6.158
  244    HG2  GLU  29           HG2      GLU  29  14.657   6.317  -4.033
  245    HG3  GLU  29           HG1      GLU  29  16.210   6.705  -4.768
  246    H    LEU  30           HN       LEU  30  16.128   4.049  -2.991
  247    HA   LEU  30           HA       LEU  30  18.819   5.069  -3.453
  248    HB2  LEU  30           HB2      LEU  30  18.615   6.179  -1.536
  249    HB3  LEU  30           HB1      LEU  30  16.913   5.791  -1.646
  250    HG   LEU  30           HG       LEU  30  18.922   4.160  -0.114
  251   HD11  LEU  30          HD11      LEU  30  16.965   6.238   0.847
  252   HD12  LEU  30          HD12      LEU  30  18.723   6.375   0.852
  253   HD13  LEU  30          HD13      LEU  30  17.929   5.187   1.885
  254   HD21  LEU  30          HD21      LEU  30  17.051   2.805  -0.707
  255   HD22  LEU  30          HD22      LEU  30  15.922   4.082  -0.256
  256   HD23  LEU  30          HD23      LEU  30  16.863   3.263   0.985
  257    H    VAL  31           HN       VAL  31  17.410   2.117  -3.222
  258    HA   VAL  31           HA       VAL  31  19.696   0.942  -1.806
  259    HB   VAL  31           HB       VAL  31  17.729  -0.042  -0.969
  260   HG11  VAL  31          HG11      VAL  31  16.788  -0.428  -3.805
  261   HG12  VAL  31          HG12      VAL  31  16.173   0.765  -2.660
  262   HG13  VAL  31          HG13      VAL  31  15.941  -0.957  -2.350
  263   HG21  VAL  31          HG21      VAL  31  17.772  -2.393  -2.009
  264   HG22  VAL  31          HG22      VAL  31  19.249  -1.779  -1.272
  265   HG23  VAL  31          HG23      VAL  31  19.065  -1.767  -3.025
  266    HA   PRO  32           HA       PRO  32  21.835   0.420  -5.649
  267    HB2  PRO  32           HB2      PRO  32  22.604  -2.142  -4.281
  268    HB3  PRO  32           HB1      PRO  32  23.619  -1.015  -5.189
  269    HG2  PRO  32           HG2      PRO  32  23.579  -0.998  -2.512
  270    HG3  PRO  32           HG1      PRO  32  23.732   0.500  -3.448
  271    HD2  PRO  32           HD2      PRO  32  21.438  -0.514  -1.884
  272    HD3  PRO  32           HD1      PRO  32  21.838   1.151  -2.353
  273    H    GLN  33           HN       GLN  33  20.958  -0.290  -7.497
  274    HA   GLN  33           HA       GLN  33  18.724  -1.864  -7.732
  275    HB2  GLN  33           HB2      GLN  33  19.478  -0.420  -9.524
  276    HB3  GLN  33           HB1      GLN  33  20.904  -1.420  -9.773
  277    HG2  GLN  33           HG2      GLN  33  19.461  -3.289 -10.434
  278    HG3  GLN  33           HG1      GLN  33  18.048  -2.255 -10.224
  279   HE21  GLN  33          HE21      GLN  33  19.042  -3.628 -12.604
  280   HE22  GLN  33          HE22      GLN  33  19.281  -2.401 -13.797
  281    HA   PRO  34           HA       PRO  34  21.582  -5.677  -8.931
  282    HB2  PRO  34           HB2      PRO  34  23.919  -5.685  -7.438
  283    HB3  PRO  34           HB1      PRO  34  23.801  -5.257  -9.147
  284    HG2  PRO  34           HG2      PRO  34  23.895  -3.481  -6.748
  285    HG3  PRO  34           HG1      PRO  34  24.665  -3.272  -8.332
  286    HD2  PRO  34           HD2      PRO  34  22.459  -1.914  -7.676
  287    HD3  PRO  34           HD1      PRO  34  22.703  -2.525  -9.325
  288    H    LEU  35           HN       LEU  35  21.463  -4.154  -5.766
  289    HA   LEU  35           HA       LEU  35  21.524  -6.636  -4.316
  290    HB2  LEU  35           HB2      LEU  35  22.454  -4.612  -3.337
  291    HB3  LEU  35           HB1      LEU  35  20.914  -3.794  -3.491
  292    HG   LEU  35           HG       LEU  35  19.949  -5.349  -1.848
  293   HD11  LEU  35          HD11      LEU  35  21.405  -7.263  -2.217
  294   HD12  LEU  35          HD12      LEU  35  21.393  -6.782  -0.519
  295   HD13  LEU  35          HD13      LEU  35  22.764  -6.360  -1.547
  296   HD21  LEU  35          HD21      LEU  35  22.424  -3.930  -0.893
  297   HD22  LEU  35          HD22      LEU  35  21.049  -4.409   0.103
  298   HD23  LEU  35          HD23      LEU  35  20.846  -3.187  -1.152
  299    H    VAL  36           HN       VAL  36  19.137  -4.437  -5.595
  300    HA   VAL  36           HA       VAL  36  16.897  -5.622  -4.219
  301    HB   VAL  36           HB       VAL  36  17.023  -3.796  -6.635
  302   HG11  VAL  36          HG11      VAL  36  14.568  -3.552  -6.344
  303   HG12  VAL  36          HG12      VAL  36  14.610  -4.885  -5.190
  304   HG13  VAL  36          HG13      VAL  36  15.055  -5.162  -6.874
  305   HG21  VAL  36          HG21      VAL  36  16.154  -3.319  -3.785
  306   HG22  VAL  36          HG22      VAL  36  16.078  -2.136  -5.091
  307   HG23  VAL  36          HG23      VAL  36  17.641  -2.737  -4.535
  308    H    ASP  37           HN       ASP  37  18.484  -6.048  -7.340
  309    HA   ASP  37           HA       ASP  37  16.627  -7.811  -8.481
  310    HB2  ASP  37           HB2      ASP  37  19.639  -7.700  -8.794
  311    HB3  ASP  37           HB1      ASP  37  18.569  -8.658  -9.812
  312    H    SER  38           HN       SER  38  19.419  -8.385  -6.325
  313    HA   SER  38           HA       SER  38  19.274 -11.160  -6.256
  314    HB2  SER  38           HB2      SER  38  21.139  -9.880  -5.287
  315    HB3  SER  38           HB1      SER  38  20.070  -9.279  -4.019
  316    HG   SER  38           HG       SER  38  21.264 -11.756  -4.311
  317    H    TYR  39           HN       TYR  39  17.600  -8.762  -4.233
  318    HA   TYR  39           HA       TYR  39  16.270 -10.583  -2.566
  319    HB2  TYR  39           HB2      TYR  39  16.121  -8.415  -1.775
  320    HB3  TYR  39           HB1      TYR  39  15.804  -7.742  -3.372
  321    HD1  TYR  39           HD1      TYR  39  14.268  -9.682  -0.609
  322    HD2  TYR  39           HD2      TYR  39  13.602  -7.357  -4.106
  323    HE1  TYR  39           HE1      TYR  39  11.863  -9.649  -0.121
  324    HE2  TYR  39           HE2      TYR  39  11.200  -7.315  -3.633
  325    HH   TYR  39           HH       TYR  39   9.892  -8.311  -0.643
  326    H    ARG  40           HN       ARG  40  15.314  -9.099  -5.631
  327    HA   ARG  40           HA       ARG  40  12.734 -10.113  -5.837
  328    HB2  ARG  40           HB2      ARG  40  14.764  -9.470  -7.977
  329    HB3  ARG  40           HB1      ARG  40  13.087  -9.875  -8.323
  330    HG2  ARG  40           HG2      ARG  40  12.336  -7.942  -7.064
  331    HG3  ARG  40           HG1      ARG  40  14.006  -7.551  -6.645
  332    HD2  ARG  40           HD2      ARG  40  14.523  -7.264  -9.024
  333    HD3  ARG  40           HD1      ARG  40  12.848  -7.633  -9.428
  334    HE   ARG  40           HE       ARG  40  12.781  -5.522  -7.642
  335   HH11  ARG  40          HH11      ARG  40  14.061  -6.153 -10.821
  336   HH12  ARG  40          HH12      ARG  40  13.912  -4.510 -11.348
  337   HH21  ARG  40          HH21      ARG  40  12.581  -3.356  -8.328
  338   HH22  ARG  40          HH22      ARG  40  13.072  -2.920  -9.930
  339    H    GLN  41           HN       GLN  41  15.822 -11.618  -6.557
  340    HA   GLN  41           HA       GLN  41  14.772 -13.946  -7.824
  341    HB2  GLN  41           HB2      GLN  41  17.379 -13.506  -6.354
  342    HB3  GLN  41           HB1      GLN  41  16.990 -14.948  -7.283
  343    HG2  GLN  41           HG2      GLN  41  16.654 -13.413  -9.265
  344    HG3  GLN  41           HG1      GLN  41  17.397 -12.151  -8.285
  345   HE21  GLN  41          HE21      GLN  41  19.579 -12.273  -7.798
  346   HE22  GLN  41          HE22      GLN  41  20.654 -13.345  -8.621
  347    H    GLN  42           HN       GLN  42  15.813 -13.275  -4.494
  348    HA   GLN  42           HA       GLN  42  15.139 -15.794  -3.442
  349    HB2  GLN  42           HB2      GLN  42  16.557 -14.114  -2.278
  350    HB3  GLN  42           HB1      GLN  42  15.123 -13.133  -2.006
  351    HG2  GLN  42           HG2      GLN  42  15.562 -14.324  -0.005
  352    HG3  GLN  42           HG1      GLN  42  14.141 -15.051  -0.754
  353   HE21  GLN  42          HE21      GLN  42  17.487 -15.471   0.060
  354   HE22  GLN  42          HE22      GLN  42  17.561 -17.169  -0.248
  355    H    GLN  43           HN       GLN  43  13.250 -13.038  -4.299
  356    HA   GLN  43           HA       GLN  43  10.915 -13.852  -2.802
  357    HB2  GLN  43           HB2      GLN  43  11.526 -11.448  -3.328
  358    HB3  GLN  43           HB1      GLN  43  11.071 -11.779  -4.993
  359    HG2  GLN  43           HG2      GLN  43   9.280 -10.678  -3.758
  360    HG3  GLN  43           HG1      GLN  43   8.806 -12.286  -4.306
  361   HE21  GLN  43          HE21      GLN  43   8.502 -13.918  -2.806
  362   HE22  GLN  43          HE22      GLN  43   8.353 -13.605  -1.115
  363    H    GLN  44           HN       GLN  44  12.176 -14.101  -6.049
  364    HA   GLN  44           HA       GLN  44   9.808 -14.994  -7.321
  365    HB2  GLN  44           HB2      GLN  44  11.967 -14.134  -8.413
  366    HB3  GLN  44           HB1      GLN  44  12.602 -15.749  -8.149
  367    HG2  GLN  44           HG2      GLN  44  11.703 -15.412 -10.418
  368    HG3  GLN  44           HG1      GLN  44  10.926 -16.721  -9.534
  369   HE21  GLN  44          HE21      GLN  44  10.255 -13.302  -9.029
  370   HE22  GLN  44          HE22      GLN  44   8.640 -13.348  -9.630
  371    H    LEU  45           HN       LEU  45  12.111 -16.462  -5.253
  372    HA   LEU  45           HA       LEU  45  11.947 -19.152  -5.916
  373    HB2  LEU  45           HB2      LEU  45  13.522 -18.737  -4.299
  374    HB3  LEU  45           HB1      LEU  45  12.497 -17.608  -3.436
  375    HG   LEU  45           HG       LEU  45  11.129 -19.707  -2.771
  376   HD11  LEU  45          HD11      LEU  45  13.765 -20.980  -3.483
  377   HD12  LEU  45          HD12      LEU  45  12.233 -21.247  -4.315
  378   HD13  LEU  45          HD13      LEU  45  12.428 -21.758  -2.638
  379   HD21  LEU  45          HD21      LEU  45  12.269 -18.454  -1.121
  380   HD22  LEU  45          HD22      LEU  45  13.844 -19.024  -1.676
  381   HD23  LEU  45          HD23      LEU  45  12.732 -20.139  -0.882
  382    H    LEU  46           HN       LEU  46   9.910 -17.301  -3.662
  383    HA   LEU  46           HA       LEU  46   7.749 -19.211  -4.140
  384    HB2  LEU  46           HB2      LEU  46   8.822 -19.983  -2.114
  385    HB3  LEU  46           HB1      LEU  46   8.753 -18.376  -1.421
  386    HG   LEU  46           HG       LEU  46   6.383 -18.497  -1.149
  387   HD11  LEU  46          HD11      LEU  46   5.074 -20.434  -1.872
  388   HD12  LEU  46          HD12      LEU  46   6.504 -21.102  -2.659
  389   HD13  LEU  46          HD13      LEU  46   5.804 -19.590  -3.237
  390   HD21  LEU  46          HD21      LEU  46   7.576 -21.155  -0.369
  391   HD22  LEU  46          HD22      LEU  46   6.157 -20.392   0.348
  392   HD23  LEU  46          HD23      LEU  46   7.747 -19.654   0.540
  393    H    GLN  47           HN       GLN  47   6.786 -17.592  -5.385
  394    HA   GLN  47           HA       GLN  47   6.108 -15.038  -4.197
  395    HB2  GLN  47           HB2      GLN  47   6.623 -15.696  -6.721
  396    HB3  GLN  47           HB1      GLN  47   4.890 -15.993  -6.748
  397    HG2  GLN  47           HG2      GLN  47   6.016 -13.408  -5.746
  398    HG3  GLN  47           HG1      GLN  47   5.740 -13.693  -7.463
  399   HE21  GLN  47          HE21      GLN  47   4.274 -13.209  -4.360
  400   HE22  GLN  47          HE22      GLN  47   2.662 -12.962  -4.930
  401    H    ARG  48           HN       ARG  48   5.113 -17.122  -2.683
  402    HA   ARG  48           HA       ARG  48   2.245 -16.638  -2.912
  403    HB2  ARG  48           HB2      ARG  48   3.464 -19.395  -2.688
  404    HB3  ARG  48           HB1      ARG  48   1.757 -19.040  -2.473
  405    HG2  ARG  48           HG2      ARG  48   1.580 -18.310  -4.761
  406    HG3  ARG  48           HG1      ARG  48   3.315 -18.532  -4.994
  407    HD2  ARG  48           HD2      ARG  48   2.039 -20.404  -5.919
  408    HD3  ARG  48           HD1      ARG  48   3.078 -20.921  -4.591
  409    HE   ARG  48           HE       ARG  48   0.609 -20.355  -3.481
  410   HH11  ARG  48          HH11      ARG  48   1.909 -22.561  -5.845
  411   HH12  ARG  48          HH12      ARG  48   0.738 -23.796  -5.525
  412   HH21  ARG  48          HH21      ARG  48  -0.936 -21.975  -3.053
  413   HH22  ARG  48          HH22      ARG  48  -0.879 -23.463  -3.937
  414    H    ASP   1           HT1      ASP   1  -7.940  15.096  15.155
  415    HA   ASP   1           HA       ASP   1  -6.162  15.939  13.787
  416    HB2  ASP   1           HB2      ASP   1  -4.367  14.743  15.912
  417    HB3  ASP   1           HB1      ASP   1  -3.825  15.437  14.387
  418    H    GLU   2           HN       GLU   2  -7.349  14.397  12.585
  419    HA   GLU   2           HA       GLU   2  -5.856  12.087  11.866
  420    HB2  GLU   2           HB2      GLU   2  -7.539  10.385  12.464
  421    HB3  GLU   2           HB1      GLU   2  -6.840  11.153  13.883
  422    HG2  GLU   2           HG2      GLU   2  -8.817  12.557  14.109
  423    HG3  GLU   2           HG1      GLU   2  -9.517  11.812  12.673
  424    H    ASP   3           HN       ASP   3  -7.530  14.534  10.954
  425    HA   ASP   3           HA       ASP   3  -9.495  13.373   9.211
  426    HB2  ASP   3           HB2      ASP   3  -8.326  16.162   9.209
  427    HB3  ASP   3           HB1      ASP   3  -9.764  15.644   8.337
  428    H    THR   4           HN       THR   4  -8.636  15.304   6.976
  429    HA   THR   4           HA       THR   4  -7.159  13.347   5.526
  430    HB   THR   4           HB       THR   4  -7.188  16.003   4.333
  431    HG1  THR   4           HG1      THR   4  -9.414  16.129   4.107
  432   HG21  THR   4          HG21      THR   4  -6.667  14.032   3.039
  433   HG22  THR   4          HG22      THR   4  -8.180  14.726   2.457
  434   HG23  THR   4          HG23      THR   4  -8.208  13.296   3.491
  435    H    TYR   5           HN       TYR   5  -5.152  13.394   4.776
  436    HA   TYR   5           HA       TYR   5  -3.260  15.223   6.096
  437    HB2  TYR   5           HB2      TYR   5  -3.164  12.257   5.736
  438    HB3  TYR   5           HB1      TYR   5  -1.724  13.218   6.066
  439    HD1  TYR   5           HD2      TYR   5  -1.720  14.668   8.161
  440    HD2  TYR   5           HD1      TYR   5  -4.562  11.578   7.485
  441    HE1  TYR   5           HE2      TYR   5  -2.210  14.602  10.567
  442    HE2  TYR   5           HE1      TYR   5  -5.059  11.500   9.890
  443    HH   TYR   5           HH       TYR   5  -4.012  13.915  12.057
  444    H    TYR   6           HN       TYR   6  -1.168  15.407   4.814
  445    HA   TYR   6           HA       TYR   6  -1.610  14.705   1.999
  446    HB2  TYR   6           HB2      TYR   6   0.272  16.861   2.983
  447    HB3  TYR   6           HB1      TYR   6  -0.313  16.611   1.343
  448    HD1  TYR   6           HD1      TYR   6  -3.236  16.168   2.017
  449    HD2  TYR   6           HD2      TYR   6  -0.447  19.096   3.335
  450    HE1  TYR   6           HE1      TYR   6  -5.085  17.726   2.424
  451    HE2  TYR   6           HE2      TYR   6  -2.291  20.669   3.753
  452    HH   TYR   6           HH       TYR   6  -4.604  21.039   3.005
  453    H    LEU   7           HN       LEU   7  -0.324  13.350   1.046
  454    HA   LEU   7           HA       LEU   7   2.078  12.398   2.474
  455    HB2  LEU   7           HB2      LEU   7  -0.202  11.098   1.597
  456    HB3  LEU   7           HB1      LEU   7   0.953  10.768   0.336
  457    HG   LEU   7           HG       LEU   7   2.084   9.280   1.581
  458   HD11  LEU   7          HD11      LEU   7   3.177  10.161   3.305
  459   HD12  LEU   7          HD12      LEU   7   1.813   9.586   4.265
  460   HD13  LEU   7          HD13      LEU   7   1.859  11.257   3.704
  461   HD21  LEU   7          HD21      LEU   7  -0.294   8.658   1.601
  462   HD22  LEU   7          HD22      LEU   7  -0.439   9.397   3.196
  463   HD23  LEU   7          HD23      LEU   7   0.611   7.998   2.966
  464    H    GLN   8           HN       GLN   8   3.811  13.453   1.540
  465    HA   GLN   8           HA       GLN   8   3.848  13.965  -1.237
  466    HB2  GLN   8           HB2      GLN   8   5.046  15.065   0.897
  467    HB3  GLN   8           HB1      GLN   8   6.350  14.042   0.327
  468    HG2  GLN   8           HG2      GLN   8   5.821  15.159  -1.961
  469    HG3  GLN   8           HG1      GLN   8   5.110  16.408  -0.937
  470   HE21  GLN   8          HE21      GLN   8   6.579  17.970  -1.227
  471   HE22  GLN   8          HE22      GLN   8   8.230  17.863  -0.730
  472    H    VAL   9           HN       VAL   9   4.101  12.483  -2.686
  473    HA   VAL   9           HA       VAL   9   5.954  10.307  -2.096
  474    HB   VAL   9           HB       VAL   9   3.402  10.248  -3.707
  475   HG11  VAL   9          HG11      VAL   9   5.014   9.014  -4.974
  476   HG12  VAL   9          HG12      VAL   9   3.899   7.887  -4.199
  477   HG13  VAL   9          HG13      VAL   9   5.519   8.120  -3.539
  478   HG21  VAL   9          HG21      VAL   9   2.669   8.601  -2.130
  479   HG22  VAL   9          HG22      VAL   9   3.254  10.010  -1.245
  480   HG23  VAL   9          HG23      VAL   9   4.256   8.563  -1.365
  481    H    ARG  10           HN       ARG  10   7.657  10.053  -3.439
  482    HA   ARG  10           HA       ARG  10   7.741  11.835  -5.772
  483    HB2  ARG  10           HB2      ARG  10   9.538  11.830  -3.873
  484    HB3  ARG  10           HB1      ARG  10  10.132  10.380  -4.669
  485    HG2  ARG  10           HG2      ARG  10   9.714  12.913  -6.207
  486    HG3  ARG  10           HG1      ARG  10  11.183  12.646  -5.268
  487    HD2  ARG  10           HD2      ARG  10  11.565  10.556  -6.522
  488    HD3  ARG  10           HD1      ARG  10  10.136  10.900  -7.494
  489    HE   ARG  10           HE       ARG  10  11.833  13.109  -7.647
  490   HH11  ARG  10          HH11      ARG  10  11.778   9.761  -8.611
  491   HH12  ARG  10          HH12      ARG  10  12.794  10.008  -9.992
  492   HH21  ARG  10          HH21      ARG  10  13.172  13.443  -9.462
  493   HH22  ARG  10          HH22      ARG  10  13.588  12.101 -10.474
  494    H    GLY  11           HN       GLY  11   7.981  11.117  -7.783
  495    HA2  GLY  11           HA2      GLY  11   8.521   9.520  -9.455
  496    HA3  GLY  11           HA1      GLY  11   8.554   8.270  -8.219
  497    H    ARG  12           HN       ARG  12   6.957   9.168 -10.854
  498    HA   ARG  12           HA       ARG  12   4.250   9.178 -10.282
  499    HB2  ARG  12           HB2      ARG  12   5.534   9.460 -12.534
  500    HB3  ARG  12           HB1      ARG  12   5.296   7.725 -12.687
  501    HG2  ARG  12           HG2      ARG  12   3.534   8.775 -13.861
  502    HG3  ARG  12           HG1      ARG  12   2.845   8.129 -12.370
  503    HD2  ARG  12           HD2      ARG  12   2.842  10.293 -11.353
  504    HD3  ARG  12           HD1      ARG  12   3.749  10.982 -12.699
  505    HE   ARG  12           HE       ARG  12   1.630  10.228 -14.013
  506   HH11  ARG  12          HH11      ARG  12   1.733  11.577 -10.802
  507   HH12  ARG  12          HH12      ARG  12   0.167  12.306 -10.920
  508   HH21  ARG  12          HH21      ARG  12  -0.431  11.185 -14.177
  509   HH22  ARG  12          HH22      ARG  12  -1.064  12.083 -12.837
  510    H    GLU  13           HN       GLU  13   6.229   6.250 -10.929
  511    HA   GLU  13           HA       GLU  13   4.195   4.406 -10.821
  512    HB2  GLU  13           HB2      GLU  13   6.592   3.974 -11.406
  513    HB3  GLU  13           HB1      GLU  13   6.957   3.978  -9.685
  514    HG2  GLU  13           HG2      GLU  13   6.744   1.726 -10.284
  515    HG3  GLU  13           HG1      GLU  13   5.248   2.145  -9.451
  516    H    ASN  14           HN       ASN  14   6.078   5.668  -8.088
  517    HA   ASN  14           HA       ASN  14   4.830   4.092  -6.086
  518    HB2  ASN  14           HB2      ASN  14   6.189   6.778  -5.796
  519    HB3  ASN  14           HB1      ASN  14   5.898   5.603  -4.517
  520   HD21  ASN  14          HD21      ASN  14   8.406   6.730  -5.358
  521   HD22  ASN  14          HD22      ASN  14   9.401   5.413  -5.867
  522    H    PHE  15           HN       PHE  15   4.275   7.384  -7.278
  523    HA   PHE  15           HA       PHE  15   2.297   8.154  -5.485
  524    HB2  PHE  15           HB2      PHE  15   3.441   9.651  -7.101
  525    HB3  PHE  15           HB1      PHE  15   2.498   8.926  -8.399
  526    HD1  PHE  15           HD1      PHE  15   1.404   9.912  -4.975
  527    HD2  PHE  15           HD2      PHE  15   1.164  10.656  -9.167
  528    HE1  PHE  15           HE1      PHE  15  -0.377  11.537  -4.576
  529    HE2  PHE  15           HE2      PHE  15  -0.650  12.283  -8.760
  530    HZ   PHE  15           HZ       PHE  15  -1.413  12.718  -6.456
  531    H    GLU  16           HN       GLU  16   1.959   6.501  -8.611
  532    HA   GLU  16           HA       GLU  16  -0.873   6.356  -8.651
  533    HB2  GLU  16           HB2      GLU  16   1.194   4.552  -9.920
  534    HB3  GLU  16           HB1      GLU  16  -0.523   4.547 -10.300
  535    HG2  GLU  16           HG2      GLU  16   1.353   6.866 -10.702
  536    HG3  GLU  16           HG1      GLU  16   0.783   5.770 -11.959
  537    H    ILE  17           HN       ILE  17   1.526   3.997  -7.420
  538    HA   ILE  17           HA       ILE  17  -0.417   2.051  -6.773
  539    HB   ILE  17           HB       ILE  17   2.420   2.476  -6.128
  540   HG12  ILE  17          HG12      ILE  17   0.983  -0.127  -6.527
  541   HG13  ILE  17          HG11      ILE  17   1.260   0.951  -7.889
  542   HG21  ILE  17          HG21      ILE  17   1.536   2.234  -3.859
  543   HG22  ILE  17          HG22      ILE  17   2.467   0.811  -4.334
  544   HG23  ILE  17          HG23      ILE  17   0.702   0.754  -4.342
  545   HD11  ILE  17          HD11      ILE  17   3.629   0.781  -7.610
  546   HD12  ILE  17          HD12      ILE  17   2.944  -0.848  -7.633
  547   HD13  ILE  17          HD13      ILE  17   3.433  -0.117  -6.102
  548    H    LEU  18           HN       LEU  18   0.932   4.770  -4.894
  549    HA   LEU  18           HA       LEU  18  -0.461   4.044  -2.492
  550    HB2  LEU  18           HB2      LEU  18   1.145   6.409  -3.401
  551    HB3  LEU  18           HB1      LEU  18   0.255   6.437  -1.891
  552    HG   LEU  18           HG       LEU  18   2.059   4.125  -2.285
  553   HD11  LEU  18          HD11      LEU  18   3.271   6.186  -3.172
  554   HD12  LEU  18          HD12      LEU  18   4.059   5.275  -1.884
  555   HD13  LEU  18          HD13      LEU  18   3.220   6.779  -1.512
  556   HD21  LEU  18          HD21      LEU  18   2.547   4.680   0.104
  557   HD22  LEU  18          HD22      LEU  18   0.856   4.309  -0.233
  558   HD23  LEU  18          HD23      LEU  18   1.366   5.984  -0.019
  559    H    MET  19           HN       MET  19  -0.958   6.285  -5.183
  560    HA   MET  19           HA       MET  19  -3.112   7.696  -4.057
  561    HB2  MET  19           HB2      MET  19  -1.708   8.116  -6.280
  562    HB3  MET  19           HB1      MET  19  -3.016   7.213  -7.021
  563    HG2  MET  19           HG2      MET  19  -3.167   9.842  -5.581
  564    HG3  MET  19           HG1      MET  19  -3.490   9.506  -7.276
  565    HE1  MET  19           HE1      MET  19  -6.827  10.610  -5.284
  566    HE2  MET  19           HE2      MET  19  -5.749  11.111  -6.586
  567    HE3  MET  19           HE3      MET  19  -5.155  11.049  -4.925
  568    H    LYS  20           HN       LYS  20  -3.111   4.922  -6.265
  569    HA   LYS  20           HA       LYS  20  -5.864   4.444  -6.358
  570    HB2  LYS  20           HB2      LYS  20  -3.851   3.306  -7.579
  571    HB3  LYS  20           HB1      LYS  20  -3.878   2.209  -6.206
  572    HG2  LYS  20           HG2      LYS  20  -6.354   2.759  -7.798
  573    HG3  LYS  20           HG1      LYS  20  -5.171   1.559  -8.320
  574    HD2  LYS  20           HD2      LYS  20  -5.405   0.455  -6.102
  575    HD3  LYS  20           HD1      LYS  20  -6.695   1.595  -5.718
  576    HE2  LYS  20           HE2      LYS  20  -6.717  -0.268  -8.085
  577    HE3  LYS  20           HE1      LYS  20  -7.501  -0.609  -6.544
  578    HZ1  LYS  20           HZ1      LYS  20  -8.886   1.338  -6.848
  579    HZ2  LYS  20           HZ2      LYS  20  -9.052   0.296  -8.170
  580    HZ3  LYS  20           HZ3      LYS  20  -8.117   1.698  -8.311
  581    H    LEU  21           HN       LEU  21  -3.404   3.627  -4.017
  582    HA   LEU  21           HA       LEU  21  -5.068   2.009  -2.386
  583    HB2  LEU  21           HB2      LEU  21  -2.464   2.197  -2.575
  584    HB3  LEU  21           HB1      LEU  21  -2.639   3.465  -1.386
  585    HG   LEU  21           HG       LEU  21  -3.061   0.525  -1.090
  586   HD11  LEU  21          HD11      LEU  21  -1.606   0.794   0.793
  587   HD12  LEU  21          HD12      LEU  21  -1.673   2.548   0.649
  588   HD13  LEU  21          HD13      LEU  21  -0.882   1.592  -0.603
  589   HD21  LEU  21          HD21      LEU  21  -4.177   2.630   0.754
  590   HD22  LEU  21          HD22      LEU  21  -4.074   0.905   1.109
  591   HD23  LEU  21          HD23      LEU  21  -5.105   1.476  -0.201
  592    H    LYS  22           HN       LYS  22  -4.223   5.454  -2.289
  593    HA   LYS  22           HA       LYS  22  -5.306   6.099   0.188
  594    HB2  LYS  22           HB2      LYS  22  -4.019   7.732  -1.041
  595    HB3  LYS  22           HB1      LYS  22  -5.158   7.694  -2.381
  596    HG2  LYS  22           HG2      LYS  22  -6.599   8.382  -0.038
  597    HG3  LYS  22           HG1      LYS  22  -5.149   9.382  -0.103
  598    HD2  LYS  22           HD2      LYS  22  -6.778   9.048  -2.578
  599    HD3  LYS  22           HD1      LYS  22  -7.365  10.125  -1.311
  600    HE2  LYS  22           HE2      LYS  22  -5.063  11.209  -1.380
  601    HE3  LYS  22           HE1      LYS  22  -4.802  10.306  -2.871
  602    HZ1  LYS  22           HZ1      LYS  22  -5.588  12.405  -3.508
  603    HZ2  LYS  22           HZ2      LYS  22  -6.810  12.409  -2.340
  604    HZ3  LYS  22           HZ3      LYS  22  -6.922  11.376  -3.674
  605    H    GLU  23           HN       GLU  23  -6.755   5.706  -2.961
  606    HA   GLU  23           HA       GLU  23  -9.380   6.527  -2.256
  607    HB2  GLU  23           HB2      GLU  23  -9.027   6.580  -4.545
  608    HB3  GLU  23           HB1      GLU  23  -8.092   5.094  -4.541
  609    HG2  GLU  23           HG2      GLU  23 -10.077   3.777  -4.341
  610    HG3  GLU  23           HG1      GLU  23 -11.066   5.223  -4.137
  611    H    SER  24           HN       SER  24  -7.869   3.292  -2.442
  612    HA   SER  24           HA       SER  24 -10.186   1.941  -1.700
  613    HB2  SER  24           HB2      SER  24  -8.815   0.019  -1.242
  614    HB3  SER  24           HB1      SER  24  -8.144   0.856  -2.642
  615    HG   SER  24           HG       SER  24  -6.381   1.190  -1.559
  616    H    LEU  25           HN       LEU  25  -7.544   3.148   0.366
  617    HA   LEU  25           HA       LEU  25  -8.542   2.131   2.824
  618    HB2  LEU  25           HB2      LEU  25  -6.567   4.226   2.043
  619    HB3  LEU  25           HB1      LEU  25  -7.113   4.138   3.705
  620    HG   LEU  25           HG       LEU  25  -5.860   1.823   2.231
  621   HD11  LEU  25          HD11      LEU  25  -3.874   2.325   3.649
  622   HD12  LEU  25          HD12      LEU  25  -4.635   3.855   4.083
  623   HD13  LEU  25          HD13      LEU  25  -4.201   3.529   2.405
  624   HD21  LEU  25          HD21      LEU  25  -7.331   1.245   4.135
  625   HD22  LEU  25          HD22      LEU  25  -6.323   2.255   5.179
  626   HD23  LEU  25          HD23      LEU  25  -5.638   0.820   4.407
  627    H    GLU  26           HN       GLU  26  -8.940   5.306   1.279
  628    HA   GLU  26           HA       GLU  26 -10.393   6.449   3.421
  629    HB2  GLU  26           HB2      GLU  26 -10.079   7.147   0.524
  630    HB3  GLU  26           HB1      GLU  26 -11.217   8.026   1.538
  631    HG2  GLU  26           HG2      GLU  26  -9.276   8.433   3.114
  632    HG3  GLU  26           HG1      GLU  26  -8.236   7.840   1.821
  633    H    LEU  27           HN       LEU  27 -11.409   4.793   0.472
  634    HA   LEU  27           HA       LEU  27 -14.213   5.149   0.761
  635    HB2  LEU  27           HB2      LEU  27 -12.505   3.167  -0.691
  636    HB3  LEU  27           HB1      LEU  27 -14.253   3.070  -0.688
  637    HG   LEU  27           HG       LEU  27 -12.828   5.542  -1.626
  638   HD11  LEU  27          HD11      LEU  27 -13.623   3.135  -3.262
  639   HD12  LEU  27          HD12      LEU  27 -11.972   3.651  -2.917
  640   HD13  LEU  27          HD13      LEU  27 -13.027   4.667  -3.900
  641   HD21  LEU  27          HD21      LEU  27 -14.911   5.871  -2.869
  642   HD22  LEU  27          HD22      LEU  27 -15.216   5.734  -1.138
  643   HD23  LEU  27          HD23      LEU  27 -15.549   4.366  -2.203
  644    H    MET  28           HN       MET  28 -12.042   2.758   2.291
  645    HA   MET  28           HA       MET  28 -13.993   0.933   2.813
  646    HB2  MET  28           HB2      MET  28 -11.442   1.602   4.158
  647    HB3  MET  28           HB1      MET  28 -12.573   0.665   5.123
  648    HG2  MET  28           HG2      MET  28 -10.814  -0.572   3.728
  649    HG3  MET  28           HG1      MET  28 -12.472  -1.162   3.708
  650    HE1  MET  28           HE1      MET  28 -13.765  -1.550   2.025
  651    HE2  MET  28           HE2      MET  28 -13.537  -1.216   0.309
  652    HE3  MET  28           HE3      MET  28 -14.199   0.027   1.365
  653    H    GLU  29           HN       GLU  29 -14.041   4.080   3.956
  654    HA   GLU  29           HA       GLU  29 -15.612   3.438   6.312
  655    HB2  GLU  29           HB2      GLU  29 -15.480   5.717   6.867
  656    HB3  GLU  29           HB1      GLU  29 -13.915   5.349   6.154
  657    HG2  GLU  29           HG2      GLU  29 -14.667   6.308   4.029
  658    HG3  GLU  29           HG1      GLU  29 -16.221   6.695   4.762
  659    H    LEU  30           HN       LEU  30 -16.134   4.036   2.988
  660    HA   LEU  30           HA       LEU  30 -18.828   5.054   3.446
  661    HB2  LEU  30           HB2      LEU  30 -18.622   6.164   1.530
  662    HB3  LEU  30           HB1      LEU  30 -16.921   5.777   1.641
  663    HG   LEU  30           HG       LEU  30 -18.927   4.144   0.108
  664   HD11  LEU  30          HD11      LEU  30 -16.972   6.226  -0.851
  665   HD12  LEU  30          HD12      LEU  30 -18.730   6.360  -0.859
  666   HD13  LEU  30          HD13      LEU  30 -17.933   5.172  -1.891
  667   HD21  LEU  30          HD21      LEU  30 -17.054   2.792   0.704
  668   HD22  LEU  30          HD22      LEU  30 -15.928   4.070   0.252
  669   HD23  LEU  30          HD23      LEU  30 -16.867   3.248  -0.989
  670    H    VAL  31           HN       VAL  31 -17.415   2.104   3.218
  671    HA   VAL  31           HA       VAL  31 -19.699   0.927   1.801
  672    HB   VAL  31           HB       VAL  31 -17.730  -0.056   0.967
  673   HG11  VAL  31          HG11      VAL  31 -16.792  -0.441   3.804
  674   HG12  VAL  31          HG12      VAL  31 -16.178   0.752   2.659
  675   HG13  VAL  31          HG13      VAL  31 -15.943  -0.969   2.350
  676   HG21  VAL  31          HG21      VAL  31 -17.773  -2.407   2.006
  677   HG22  VAL  31          HG22      VAL  31 -19.249  -1.794   1.268
  678   HG23  VAL  31          HG23      VAL  31 -19.068  -1.782   3.021
  679    HA   PRO  32           HA       PRO  32 -21.843   0.404   5.643
  680    HB2  PRO  32           HB2      PRO  32 -22.607  -2.160   4.276
  681    HB3  PRO  32           HB1      PRO  32 -23.624  -1.033   5.183
  682    HG2  PRO  32           HG2      PRO  32 -23.583  -1.015   2.506
  683    HG3  PRO  32           HG1      PRO  32 -23.737   0.482   3.442
  684    HD2  PRO  32           HD2      PRO  32 -21.442  -0.531   1.879
  685    HD3  PRO  32           HD1      PRO  32 -21.843   1.134   2.347
  686    H    GLN  33           HN       GLN  33 -20.965  -0.303   7.492
  687    HA   GLN  33           HA       GLN  33 -18.730  -1.874   7.730
  688    HB2  GLN  33           HB2      GLN  33 -19.488  -0.431   9.521
  689    HB3  GLN  33           HB1      GLN  33 -20.912  -1.433   9.769
  690    HG2  GLN  33           HG2      GLN  33 -19.465  -3.300  10.432
  691    HG3  GLN  33           HG1      GLN  33 -18.055  -2.263  10.223
  692   HE21  GLN  33          HE21      GLN  33 -19.052  -3.637  12.603
  693   HE22  GLN  33          HE22      GLN  33 -19.291  -2.410  13.795
  694    HA   PRO  34           HA       PRO  34 -21.585  -5.690   8.929
  695    HB2  PRO  34           HB2      PRO  34 -23.921  -5.701   7.433
  696    HB3  PRO  34           HB1      PRO  34 -23.804  -5.272   9.142
  697    HG2  PRO  34           HG2      PRO  34 -23.899  -3.496   6.743
  698    HG3  PRO  34           HG1      PRO  34 -24.670  -3.287   8.326
  699    HD2  PRO  34           HD2      PRO  34 -22.465  -1.928   7.670
  700    HD3  PRO  34           HD1      PRO  34 -22.709  -2.537   9.320
  701    H    LEU  35           HN       LEU  35 -21.465  -4.169   5.761
  702    HA   LEU  35           HA       LEU  35 -21.524  -6.652   4.314
  703    HB2  LEU  35           HB2      LEU  35 -22.454  -4.628   3.333
  704    HB3  LEU  35           HB1      LEU  35 -20.913  -3.810   3.488
  705    HG   LEU  35           HG       LEU  35 -19.947  -5.365   1.846
  706   HD11  LEU  35          HD11      LEU  35 -21.402  -7.280   2.214
  707   HD12  LEU  35          HD12      LEU  35 -21.390  -6.799   0.516
  708   HD13  LEU  35          HD13      LEU  35 -22.762  -6.378   1.543
  709   HD21  LEU  35          HD21      LEU  35 -22.423  -3.949   0.889
  710   HD22  LEU  35          HD22      LEU  35 -21.048  -4.426  -0.106
  711   HD23  LEU  35          HD23      LEU  35 -20.846  -3.203   1.148
  712    H    VAL  36           HN       VAL  36 -19.139  -4.451   5.594
  713    HA   VAL  36           HA       VAL  36 -16.897  -5.634   4.219
  714    HB   VAL  36           HB       VAL  36 -17.027  -3.806   6.634
  715   HG11  VAL  36          HG11      VAL  36 -14.572  -3.559   6.345
  716   HG12  VAL  36          HG12      VAL  36 -14.610  -4.893   5.192
  717   HG13  VAL  36          HG13      VAL  36 -15.057  -5.170   6.876
  718   HG21  VAL  36          HG21      VAL  36 -16.155  -3.331   3.785
  719   HG22  VAL  36          HG22      VAL  36 -16.082  -2.147   5.090
  720   HG23  VAL  36          HG23      VAL  36 -17.643  -2.749   4.533
  721    H    ASP  37           HN       ASP  37 -18.485  -6.059   7.340
  722    HA   ASP  37           HA       ASP  37 -16.628  -7.820   8.484
  723    HB2  ASP  37           HB2      ASP  37 -19.641  -7.711   8.793
  724    HB3  ASP  37           HB1      ASP  37 -18.571  -8.668   9.813
  725    H    SER  38           HN       SER  38 -19.418  -8.397   6.325
  726    HA   SER  38           HA       SER  38 -19.272 -11.173   6.258
  727    HB2  SER  38           HB2      SER  38 -21.136  -9.894   5.287
  728    HB3  SER  38           HB1      SER  38 -20.068  -9.292   4.020
  729    HG   SER  38           HG       SER  38 -21.259 -11.770   4.311
  730    H    TYR  39           HN       TYR  39 -17.598  -8.775   4.234
  731    HA   TYR  39           HA       TYR  39 -16.265 -10.595   2.570
  732    HB2  TYR  39           HB2      TYR  39 -16.117  -8.428   1.778
  733    HB3  TYR  39           HB1      TYR  39 -15.802  -7.753   3.374
  734    HD1  TYR  39           HD1      TYR  39 -14.263  -9.693   0.613
  735    HD2  TYR  39           HD2      TYR  39 -13.601  -7.366   4.111
  736    HE1  TYR  39           HE1      TYR  39 -11.857  -9.658   0.128
  737    HE2  TYR  39           HE2      TYR  39 -11.198  -7.322   3.639
  738    HH   TYR  39           HH       TYR  39  -9.887  -8.320   0.650
  739    H    ARG  40           HN       ARG  40 -15.313  -9.109   5.636
  740    HA   ARG  40           HA       ARG  40 -12.732 -10.121   5.844
  741    HB2  ARG  40           HB2      ARG  40 -14.763  -9.478   7.981
  742    HB3  ARG  40           HB1      ARG  40 -13.086  -9.881   8.330
  743    HG2  ARG  40           HG2      ARG  40 -12.337  -7.948   7.069
  744    HG3  ARG  40           HG1      ARG  40 -14.006  -7.559   6.649
  745    HD2  ARG  40           HD2      ARG  40 -14.525  -7.270   9.027
  746    HD3  ARG  40           HD1      ARG  40 -12.849  -7.637   9.432
  747    HE   ARG  40           HE       ARG  40 -12.784  -5.527   7.645
  748   HH11  ARG  40          HH11      ARG  40 -14.066  -6.158  10.823
  749   HH12  ARG  40          HH12      ARG  40 -13.919  -4.515  11.350
  750   HH21  ARG  40          HH21      ARG  40 -12.588  -3.361   8.330
  751   HH22  ARG  40          HH22      ARG  40 -13.079  -2.925   9.933
  752    H    GLN  41           HN       GLN  41 -15.819 -11.628   6.563
  753    HA   GLN  41           HA       GLN  41 -14.767 -13.955   7.831
  754    HB2  GLN  41           HB2      GLN  41 -17.374 -13.517   6.359
  755    HB3  GLN  41           HB1      GLN  41 -16.985 -14.958   7.289
  756    HG2  GLN  41           HG2      GLN  41 -16.650 -13.421   9.271
  757    HG3  GLN  41           HG1      GLN  41 -17.394 -12.161   8.289
  758   HE21  GLN  41          HE21      GLN  41 -19.577 -12.285   7.799
  759   HE22  GLN  41          HE22      GLN  41 -20.651 -13.358   8.624
  760    H    GLN  42           HN       GLN  42 -15.808 -13.286   4.499
  761    HA   GLN  42           HA       GLN  42 -15.131 -15.805   3.449
  762    HB2  GLN  42           HB2      GLN  42 -16.549 -14.127   2.283
  763    HB3  GLN  42           HB1      GLN  42 -15.116 -13.144   2.011
  764    HG2  GLN  42           HG2      GLN  42 -15.552 -14.338   0.011
  765    HG3  GLN  42           HG1      GLN  42 -14.131 -15.063   0.762
  766   HE21  GLN  42          HE21      GLN  42 -17.476 -15.486  -0.054
  767   HE22  GLN  42          HE22      GLN  42 -17.549 -17.184   0.255
  768    H    GLN  43           HN       GLN  43 -13.243 -13.047   4.306
  769    HA   GLN  43           HA       GLN  43 -10.907 -13.859   2.812
  770    HB2  GLN  43           HB2      GLN  43 -11.522 -11.456   3.335
  771    HB3  GLN  43           HB1      GLN  43 -11.067 -11.786   5.002
  772    HG2  GLN  43           HG2      GLN  43  -9.276 -10.684   3.767
  773    HG3  GLN  43           HG1      GLN  43  -8.802 -12.291   4.315
  774   HE21  GLN  43          HE21      GLN  43  -8.495 -13.923   2.817
  775   HE22  GLN  43          HE22      GLN  43  -8.345 -13.611   1.125
  776    H    GLN  44           HN       GLN  44 -12.171 -14.110   6.057
  777    HA   GLN  44           HA       GLN  44  -9.801 -14.999   7.331
  778    HB2  GLN  44           HB2      GLN  44 -11.962 -14.138   8.421
  779    HB3  GLN  44           HB1      GLN  44 -12.596 -15.754   8.158
  780    HG2  GLN  44           HG2      GLN  44 -11.699 -15.414  10.428
  781    HG3  GLN  44           HG1      GLN  44 -10.921 -16.724   9.546
  782   HE21  GLN  44          HE21      GLN  44 -10.250 -13.305   9.039
  783   HE22  GLN  44          HE22      GLN  44  -8.635 -13.350   9.640
  784    H    LEU  45           HN       LEU  45 -12.103 -16.469   5.261
  785    HA   LEU  45           HA       LEU  45 -11.938 -19.158   5.928
  786    HB2  LEU  45           HB2      LEU  45 -13.512 -18.747   4.308
  787    HB3  LEU  45           HB1      LEU  45 -12.488 -17.617   3.446
  788    HG   LEU  45           HG       LEU  45 -11.116 -19.715   2.784
  789   HD11  LEU  45          HD11      LEU  45 -13.753 -20.990   3.494
  790   HD12  LEU  45          HD12      LEU  45 -12.221 -21.255   4.326
  791   HD13  LEU  45          HD13      LEU  45 -12.414 -21.768   2.650
  792   HD21  LEU  45          HD21      LEU  45 -12.253 -18.464   1.131
  793   HD22  LEU  45          HD22      LEU  45 -13.830 -19.034   1.684
  794   HD23  LEU  45          HD23      LEU  45 -12.716 -20.149   0.893
  795    H    LEU  46           HN       LEU  46  -9.901 -17.307   3.673
  796    HA   LEU  46           HA       LEU  46  -7.739 -19.216   4.154
  797    HB2  LEU  46           HB2      LEU  46  -8.810 -19.988   2.126
  798    HB3  LEU  46           HB1      LEU  46  -8.740 -18.380   1.435
  799    HG   LEU  46           HG       LEU  46  -6.371 -18.501   1.163
  800   HD11  LEU  46          HD11      LEU  46  -5.061 -20.437   1.889
  801   HD12  LEU  46          HD12      LEU  46  -6.491 -21.105   2.674
  802   HD13  LEU  46          HD13      LEU  46  -5.792 -19.593   3.253
  803   HD21  LEU  46          HD21      LEU  46  -7.562 -21.161   0.384
  804   HD22  LEU  46          HD22      LEU  46  -6.142 -20.398  -0.332
  805   HD23  LEU  46          HD23      LEU  46  -7.733 -19.660  -0.525
  806    H    GLN  47           HN       GLN  47  -6.778 -17.594   5.401
  807    HA   GLN  47           HA       GLN  47  -6.100 -15.041   4.211
  808    HB2  GLN  47           HB2      GLN  47  -6.616 -15.697   6.736
  809    HB3  GLN  47           HB1      GLN  47  -4.884 -15.993   6.764
  810    HG2  GLN  47           HG2      GLN  47  -6.010 -13.409   5.759
  811    HG3  GLN  47           HG1      GLN  47  -5.733 -13.693   7.476
  812   HE21  GLN  47          HE21      GLN  47  -4.268 -13.210   4.374
  813   HE22  GLN  47          HE22      GLN  47  -2.656 -12.961   4.943
  814    H    ARG  48           HN       ARG  48  -5.103 -17.125   2.700
  815    HA   ARG  48           HA       ARG  48  -2.236 -16.638   2.928
  816    HB2  ARG  48           HB2      ARG  48  -3.451 -19.395   2.705
  817    HB3  ARG  48           HB1      ARG  48  -1.743 -19.039   2.492
  818    HG2  ARG  48           HG2      ARG  48  -1.571 -18.308   4.781
  819    HG3  ARG  48           HG1      ARG  48  -3.305 -18.533   5.011
  820    HD2  ARG  48           HD2      ARG  48  -2.028 -20.402   5.938
  821    HD3  ARG  48           HD1      ARG  48  -3.064 -20.921   4.609
  822    HE   ARG  48           HE       ARG  48  -0.595 -20.353   3.501
  823   HH11  ARG  48          HH11      ARG  48  -1.897 -22.558   5.865
  824   HH12  ARG  48          HH12      ARG  48  -0.726 -23.794   5.546
  825   HH21  ARG  48          HH21      ARG  48   0.949 -21.973   3.075
  826   HH22  ARG  48          HH22      ARG  48   0.893 -23.461   3.961
  827    H    ASP   1           HT1      ASP   1   7.934 -15.089  15.156
  828    HA   ASP   1           HA       ASP   1   6.157 -15.934  13.789
  829    HB2  ASP   1           HB2      ASP   1   4.361 -14.738  15.913
  830    HB3  ASP   1           HB1      ASP   1   3.821 -15.433  14.388
  831    H    GLU   2           HN       GLU   2   7.344 -14.392  12.587
  832    HA   GLU   2           HA       GLU   2   5.852 -12.083  11.866
  833    HB2  GLU   2           HB2      GLU   2   7.534 -10.380  12.465
  834    HB3  GLU   2           HB1      GLU   2   6.834 -11.148  13.884
  835    HG2  GLU   2           HG2      GLU   2   8.812 -12.552  14.111
  836    HG3  GLU   2           HG1      GLU   2   9.511 -11.806  12.675
  837    H    ASP   3           HN       ASP   3   7.527 -14.529  10.955
  838    HA   ASP   3           HA       ASP   3   9.494 -13.369   9.212
  839    HB2  ASP   3           HB2      ASP   3   8.324 -16.158   9.211
  840    HB3  ASP   3           HB1      ASP   3   9.764 -15.640   8.340
  841    H    THR   4           HN       THR   4   8.636 -15.301   6.977
  842    HA   THR   4           HA       THR   4   7.161 -13.345   5.526
  843    HB   THR   4           HB       THR   4   7.188 -16.003   4.335
  844    HG1  THR   4           HG1      THR   4   9.415 -16.126   4.109
  845   HG21  THR   4          HG21      THR   4   6.666 -14.033   3.040
  846   HG22  THR   4          HG22      THR   4   8.179 -14.727   2.457
  847   HG23  THR   4          HG23      THR   4   8.205 -13.295   3.490
  848    H    TYR   5           HN       TYR   5   5.151 -13.393   4.776
  849    HA   TYR   5           HA       TYR   5   3.260 -15.222   6.096
  850    HB2  TYR   5           HB2      TYR   5   3.161 -12.256   5.735
  851    HB3  TYR   5           HB1      TYR   5   1.722 -13.218   6.065
  852    HD1  TYR   5           HD2      TYR   5   1.718 -14.667   8.160
  853    HD2  TYR   5           HD1      TYR   5   4.561 -11.578   7.483
  854    HE1  TYR   5           HE2      TYR   5   2.207 -14.601  10.566
  855    HE2  TYR   5           HE1      TYR   5   5.058 -11.499   9.888
  856    HH   TYR   5           HH       TYR   5   4.007 -13.912  12.057
  857    H    TYR   6           HN       TYR   6   1.169 -15.407   4.813
  858    HA   TYR   6           HA       TYR   6   1.611 -14.706   1.998
  859    HB2  TYR   6           HB2      TYR   6  -0.271 -16.863   2.982
  860    HB3  TYR   6           HB1      TYR   6   0.316 -16.612   1.343
  861    HD1  TYR   6           HD1      TYR   6   3.237 -16.168   2.017
  862    HD2  TYR   6           HD2      TYR   6   0.450 -19.097   3.337
  863    HE1  TYR   6           HE1      TYR   6   5.087 -17.725   2.424
  864    HE2  TYR   6           HE2      TYR   6   2.296 -20.669   3.755
  865    HH   TYR   6           HH       TYR   6   4.607 -21.038   3.009
  866    H    LEU   7           HN       LEU   7   0.326 -13.352   1.044
  867    HA   LEU   7           HA       LEU   7  -2.077 -12.400   2.471
  868    HB2  LEU   7           HB2      LEU   7   0.202 -11.099   1.593
  869    HB3  LEU   7           HB1      LEU   7  -0.953 -10.770   0.332
  870    HG   LEU   7           HG       LEU   7  -2.084  -9.281   1.578
  871   HD11  LEU   7          HD11      LEU   7  -3.177 -10.163   3.301
  872   HD12  LEU   7          HD12      LEU   7  -1.814  -9.586   4.261
  873   HD13  LEU   7          HD13      LEU   7  -1.859 -11.257   3.702
  874   HD21  LEU   7          HD21      LEU   7   0.293  -8.660   1.598
  875   HD22  LEU   7          HD22      LEU   7   0.439  -9.398   3.193
  876   HD23  LEU   7          HD23      LEU   7  -0.612  -7.999   2.962
  877    H    GLN   8           HN       GLN   8  -3.810 -13.455   1.538
  878    HA   GLN   8           HA       GLN   8  -3.846 -13.968  -1.239
  879    HB2  GLN   8           HB2      GLN   8  -5.044 -15.069   0.893
  880    HB3  GLN   8           HB1      GLN   8  -6.348 -14.047   0.324
  881    HG2  GLN   8           HG2      GLN   8  -5.818 -15.162  -1.964
  882    HG3  GLN   8           HG1      GLN   8  -5.108 -16.412  -0.941
  883   HE21  GLN   8          HE21      GLN   8  -6.577 -17.974  -1.228
  884   HE22  GLN   8          HE22      GLN   8  -8.228 -17.867  -0.733
  885    H    VAL   9           HN       VAL   9  -4.099 -12.487  -2.690
  886    HA   VAL   9           HA       VAL   9  -5.954 -10.311  -2.102
  887    HB   VAL   9           HB       VAL   9  -3.401 -10.252  -3.711
  888   HG11  VAL   9          HG11      VAL   9  -5.012  -9.018  -4.979
  889   HG12  VAL   9          HG12      VAL   9  -3.899  -7.891  -4.205
  890   HG13  VAL   9          HG13      VAL   9  -5.519  -8.124  -3.546
  891   HG21  VAL   9          HG21      VAL   9  -2.669  -8.605  -2.132
  892   HG22  VAL   9          HG22      VAL   9  -3.254 -10.015  -1.249
  893   HG23  VAL   9          HG23      VAL   9  -4.257  -8.569  -1.368
  894    H    ARG  10           HN       ARG  10  -7.655 -10.059  -3.446
  895    HA   ARG  10           HA       ARG  10  -7.738 -11.841  -5.778
  896    HB2  ARG  10           HB2      ARG  10  -9.534 -11.836  -3.880
  897    HB3  ARG  10           HB1      ARG  10 -10.129 -10.387  -4.676
  898    HG2  ARG  10           HG2      ARG  10  -9.710 -12.920  -6.213
  899    HG3  ARG  10           HG1      ARG  10 -11.180 -12.653  -5.275
  900    HD2  ARG  10           HD2      ARG  10 -11.562 -10.564  -6.531
  901    HD3  ARG  10           HD1      ARG  10 -10.131 -10.909  -7.501
  902    HE   ARG  10           HE       ARG  10 -11.828 -13.118  -7.654
  903   HH11  ARG  10          HH11      ARG  10 -11.773  -9.770  -8.619
  904   HH12  ARG  10          HH12      ARG  10 -12.789 -10.018 -10.000
  905   HH21  ARG  10          HH21      ARG  10 -13.166 -13.454  -9.469
  906   HH22  ARG  10          HH22      ARG  10 -13.582 -12.112 -10.482
  907    H    GLY  11           HN       GLY  11  -7.978 -11.124  -7.789
  908    HA2  GLY  11           HA2      GLY  11  -8.516  -9.527  -9.463
  909    HA3  GLY  11           HA1      GLY  11  -8.550  -8.277  -8.227
  910    H    ARG  12           HN       ARG  12  -6.951  -9.177 -10.860
  911    HA   ARG  12           HA       ARG  12  -4.245  -9.186 -10.287
  912    HB2  ARG  12           HB2      ARG  12  -5.527  -9.468 -12.540
  913    HB3  ARG  12           HB1      ARG  12  -5.290  -7.733 -12.692
  914    HG2  ARG  12           HG2      ARG  12  -3.527  -8.783 -13.866
  915    HG3  ARG  12           HG1      ARG  12  -2.839  -8.136 -12.375
  916    HD2  ARG  12           HD2      ARG  12  -2.837 -10.300 -11.357
  917    HD3  ARG  12           HD1      ARG  12  -3.744 -10.989 -12.704
  918    HE   ARG  12           HE       ARG  12  -1.624 -10.236 -14.017
  919   HH11  ARG  12          HH11      ARG  12  -1.727 -11.583 -10.805
  920   HH12  ARG  12          HH12      ARG  12  -0.160 -12.312 -10.922
  921   HH21  ARG  12          HH21      ARG  12   0.439 -11.191 -14.178
  922   HH22  ARG  12          HH22      ARG  12   1.071 -12.089 -12.839
  923    H    GLU  13           HN       GLU  13  -6.225  -6.258 -10.936
  924    HA   GLU  13           HA       GLU  13  -4.192  -4.414 -10.827
  925    HB2  GLU  13           HB2      GLU  13  -6.588  -3.983 -11.414
  926    HB3  GLU  13           HB1      GLU  13  -6.954  -3.986  -9.694
  927    HG2  GLU  13           HG2      GLU  13  -6.741  -1.734 -10.294
  928    HG3  GLU  13           HG1      GLU  13  -5.246  -2.151  -9.459
  929    H    ASN  14           HN       ASN  14  -6.076  -5.675  -8.094
  930    HA   ASN  14           HA       ASN  14  -4.829  -4.097  -6.093
  931    HB2  ASN  14           HB2      ASN  14  -6.187  -6.784  -5.804
  932    HB3  ASN  14           HB1      ASN  14  -5.896  -5.608  -4.525
  933   HD21  ASN  14          HD21      ASN  14  -8.404  -6.736  -5.366
  934   HD22  ASN  14          HD22      ASN  14  -9.400  -5.420  -5.876
  935    H    PHE  15           HN       PHE  15  -4.272  -7.390  -7.284
  936    HA   PHE  15           HA       PHE  15  -2.297  -8.158  -5.489
  937    HB2  PHE  15           HB2      PHE  15  -3.438  -9.656  -7.106
  938    HB3  PHE  15           HB1      PHE  15  -2.495  -8.931  -8.403
  939    HD1  PHE  15           HD1      PHE  15  -1.401  -9.915  -4.978
  940    HD2  PHE  15           HD2      PHE  15  -1.160 -10.661  -9.171
  941    HE1  PHE  15           HE1      PHE  15   0.380 -11.541  -4.578
  942    HE2  PHE  15           HE2      PHE  15   0.655 -12.287  -8.762
  943    HZ   PHE  15           HZ       PHE  15   1.416 -12.723  -6.458
  944    H    GLU  16           HN       GLU  16  -1.956  -6.507  -8.617
  945    HA   GLU  16           HA       GLU  16   0.875  -6.362  -8.655
  946    HB2  GLU  16           HB2      GLU  16  -1.190  -4.558  -9.926
  947    HB3  GLU  16           HB1      GLU  16   0.527  -4.552 -10.304
  948    HG2  GLU  16           HG2      GLU  16  -1.349  -6.871 -10.708
  949    HG3  GLU  16           HG1      GLU  16  -0.778  -5.775 -11.965
  950    H    ILE  17           HN       ILE  17  -1.525  -4.003  -7.424
  951    HA   ILE  17           HA       ILE  17   0.417  -2.055  -6.780
  952    HB   ILE  17           HB       ILE  17  -2.420  -2.482  -6.135
  953   HG12  ILE  17          HG12      ILE  17  -0.983   0.122  -6.533
  954   HG13  ILE  17          HG11      ILE  17  -1.259  -0.956  -7.896
  955   HG21  ILE  17          HG21      ILE  17  -1.538  -2.240  -3.866
  956   HG22  ILE  17          HG22      ILE  17  -2.469  -0.817  -4.342
  957   HG23  ILE  17          HG23      ILE  17  -0.704  -0.759  -4.348
  958   HD11  ILE  17          HD11      ILE  17  -3.629  -0.786  -7.617
  959   HD12  ILE  17          HD12      ILE  17  -2.944   0.843  -7.640
  960   HD13  ILE  17          HD13      ILE  17  -3.433   0.112  -6.109
  961    H    LEU  18           HN       LEU  18  -0.931  -4.773  -4.898
  962    HA   LEU  18           HA       LEU  18   0.461  -4.046  -2.496
  963    HB2  LEU  18           HB2      LEU  18  -1.145  -6.412  -3.406
  964    HB3  LEU  18           HB1      LEU  18  -0.255  -6.439  -1.896
  965    HG   LEU  18           HG       LEU  18  -2.060  -4.127  -2.289
  966   HD11  LEU  18          HD11      LEU  18  -3.270  -6.190  -3.177
  967   HD12  LEU  18          HD12      LEU  18  -4.060  -5.280  -1.890
  968   HD13  LEU  18          HD13      LEU  18  -3.220  -6.782  -1.517
  969   HD21  LEU  18          HD21      LEU  18  -2.547  -4.683   0.099
  970   HD22  LEU  18          HD22      LEU  18  -0.857  -4.312  -0.238
  971   HD23  LEU  18          HD23      LEU  18  -1.367  -5.987  -0.024
  972    H    MET  19           HN       MET  19   0.959  -6.289  -5.187
  973    HA   MET  19           HA       MET  19   3.114  -7.699  -4.059
  974    HB2  MET  19           HB2      MET  19   1.711  -8.121  -6.283
  975    HB3  MET  19           HB1      MET  19   3.019  -7.217  -7.024
  976    HG2  MET  19           HG2      MET  19   3.171  -9.846  -5.583
  977    HG3  MET  19           HG1      MET  19   3.494  -9.510  -7.278
  978    HE1  MET  19           HE1      MET  19   6.832 -10.613  -5.283
  979    HE2  MET  19           HE2      MET  19   5.754 -11.114  -6.587
  980    HE3  MET  19           HE3      MET  19   5.159 -11.052  -4.925
  981    H    LYS  20           HN       LYS  20   3.112  -4.924  -6.268
  982    HA   LYS  20           HA       LYS  20   5.864  -4.446  -6.361
  983    HB2  LYS  20           HB2      LYS  20   3.852  -3.309  -7.582
  984    HB3  LYS  20           HB1      LYS  20   3.879  -2.212  -6.209
  985    HG2  LYS  20           HG2      LYS  20   6.356  -2.761  -7.800
  986    HG3  LYS  20           HG1      LYS  20   5.173  -1.561  -8.323
  987    HD2  LYS  20           HD2      LYS  20   5.405  -0.457  -6.105
  988    HD3  LYS  20           HD1      LYS  20   6.695  -1.597  -5.721
  989    HE2  LYS  20           HE2      LYS  20   6.718   0.267  -8.088
  990    HE3  LYS  20           HE1      LYS  20   7.501   0.607  -6.546
  991    HZ1  LYS  20           HZ1      LYS  20   8.887  -1.340  -6.850
  992    HZ2  LYS  20           HZ2      LYS  20   9.054  -0.298  -8.172
  993    HZ3  LYS  20           HZ3      LYS  20   8.118  -1.700  -8.314
  994    H    LEU  21           HN       LEU  21   3.404  -3.629  -4.020
  995    HA   LEU  21           HA       LEU  21   5.067  -2.010  -2.390
  996    HB2  LEU  21           HB2      LEU  21   2.463  -2.197  -2.580
  997    HB3  LEU  21           HB1      LEU  21   2.637  -3.465  -1.392
  998    HG   LEU  21           HG       LEU  21   3.059  -0.524  -1.093
  999   HD11  LEU  21          HD11      LEU  21   1.603  -0.797   0.788
 1000   HD12  LEU  21          HD12      LEU  21   1.672  -2.550   0.644
 1001   HD13  LEU  21          HD13      LEU  21   0.880  -1.595  -0.608
 1002   HD21  LEU  21          HD21      LEU  21   4.174  -2.631   0.750
 1003   HD22  LEU  21          HD22      LEU  21   4.072  -0.906   1.106
 1004   HD23  LEU  21          HD23      LEU  21   5.103  -1.477  -0.204
 1005    H    LYS  22           HN       LYS  22   4.223  -5.455  -2.291
 1006    HA   LYS  22           HA       LYS  22   5.305  -6.099   0.186
 1007    HB2  LYS  22           HB2      LYS  22   4.019  -7.733  -1.043
 1008    HB3  LYS  22           HB1      LYS  22   5.157  -7.696  -2.382
 1009    HG2  LYS  22           HG2      LYS  22   6.599  -8.381  -0.040
 1010    HG3  LYS  22           HG1      LYS  22   5.150  -9.383  -0.103
 1011    HD2  LYS  22           HD2      LYS  22   6.780  -9.049  -2.577
 1012    HD3  LYS  22           HD1      LYS  22   7.366 -10.125  -1.310
 1013    HE2  LYS  22           HE2      LYS  22   5.064 -11.210  -1.380
 1014    HE3  LYS  22           HE1      LYS  22   4.804 -10.307  -2.872
 1015    HZ1  LYS  22           HZ1      LYS  22   5.592 -12.406  -3.507
 1016    HZ2  LYS  22           HZ2      LYS  22   6.813 -12.409  -2.339
 1017    HZ3  LYS  22           HZ3      LYS  22   6.925 -11.377  -3.673
 1018    H    GLU  23           HN       GLU  23   6.755  -5.706  -2.963
 1019    HA   GLU  23           HA       GLU  23   9.381  -6.526  -2.256
 1020    HB2  GLU  23           HB2      GLU  23   9.033  -6.579  -4.545
 1021    HB3  GLU  23           HB1      GLU  23   8.095  -5.095  -4.543
 1022    HG2  GLU  23           HG2      GLU  23  10.075  -3.774  -4.343
 1023    HG3  GLU  23           HG1      GLU  23  11.070  -5.215  -4.133
 1024    H    SER  24           HN       SER  24   7.869  -3.292  -2.443
 1025    HA   SER  24           HA       SER  24  10.185  -1.940  -1.700
 1026    HB2  SER  24           HB2      SER  24   8.814  -0.018  -1.246
 1027    HB3  SER  24           HB1      SER  24   8.143  -0.857  -2.645
 1028    HG   SER  24           HG       SER  24   6.379  -1.189  -1.563
 1029    H    LEU  25           HN       LEU  25   7.543  -3.147   0.363
 1030    HA   LEU  25           HA       LEU  25   8.539  -2.129   2.823
 1031    HB2  LEU  25           HB2      LEU  25   6.565  -4.224   2.041
 1032    HB3  LEU  25           HB1      LEU  25   7.110  -4.137   3.703
 1033    HG   LEU  25           HG       LEU  25   5.857  -1.822   2.229
 1034   HD11  LEU  25          HD11      LEU  25   3.871  -2.323   3.647
 1035   HD12  LEU  25          HD12      LEU  25   4.631  -3.854   4.080
 1036   HD13  LEU  25          HD13      LEU  25   4.198  -3.528   2.403
 1037   HD21  LEU  25          HD21      LEU  25   7.327  -1.243   4.133
 1038   HD22  LEU  25          HD22      LEU  25   6.320  -2.253   5.177
 1039   HD23  LEU  25          HD23      LEU  25   5.635  -0.819   4.405
 1040    H    GLU  26           HN       GLU  26   8.938  -5.305   1.279
 1041    HA   GLU  26           HA       GLU  26  10.391  -6.446   3.422
 1042    HB2  GLU  26           HB2      GLU  26  10.079  -7.145   0.525
 1043    HB3  GLU  26           HB1      GLU  26  11.216  -8.024   1.540
 1044    HG2  GLU  26           HG2      GLU  26   9.274  -8.431   3.115
 1045    HG3  GLU  26           HG1      GLU  26   8.234  -7.839   1.820
 1046    H    LEU  27           HN       LEU  27  11.406  -4.790   0.473
 1047    HA   LEU  27           HA       LEU  27  14.211  -5.146   0.764
 1048    HB2  LEU  27           HB2      LEU  27  12.503  -3.166  -0.691
 1049    HB3  LEU  27           HB1      LEU  27  14.251  -3.068  -0.687
 1050    HG   LEU  27           HG       LEU  27  12.827  -5.540  -1.625
 1051   HD11  LEU  27          HD11      LEU  27  13.623  -3.133  -3.260
 1052   HD12  LEU  27          HD12      LEU  27  11.972  -3.650  -2.916
 1053   HD13  LEU  27          HD13      LEU  27  13.027  -4.666  -3.898
 1054   HD21  LEU  27          HD21      LEU  27  14.912  -5.869  -2.867
 1055   HD22  LEU  27          HD22      LEU  27  15.217  -5.731  -1.136
 1056   HD23  LEU  27          HD23      LEU  27  15.548  -4.363  -2.202
 1057    H    MET  28           HN       MET  28  12.039  -2.756   2.292
 1058    HA   MET  28           HA       MET  28  13.989  -0.929   2.814
 1059    HB2  MET  28           HB2      MET  28  11.437  -1.598   4.157
 1060    HB3  MET  28           HB1      MET  28  12.568  -0.662   5.123
 1061    HG2  MET  28           HG2      MET  28  10.811   0.575   3.726
 1062    HG3  MET  28           HG1      MET  28  12.469   1.164   3.707
 1063    HE1  MET  28           HE1      MET  28  13.760   1.554   2.022
 1064    HE2  MET  28           HE2      MET  28  13.535   1.217   0.306
 1065    HE3  MET  28           HE3      MET  28  14.197  -0.024   1.365
 1066    H    GLU  29           HN       GLU  29  14.037  -4.076   3.957
 1067    HA   GLU  29           HA       GLU  29  15.608  -3.433   6.313
 1068    HB2  GLU  29           HB2      GLU  29  15.474  -5.711   6.870
 1069    HB3  GLU  29           HB1      GLU  29  13.910  -5.343   6.155
 1070    HG2  GLU  29           HG2      GLU  29  14.664  -6.304   4.031
 1071    HG3  GLU  29           HG1      GLU  29  16.218  -6.689   4.765
 1072    H    LEU  30           HN       LEU  30  16.133  -4.032   2.989
 1073    HA   LEU  30           HA       LEU  30  18.825  -5.049   3.450
 1074    HB2  LEU  30           HB2      LEU  30  18.621  -6.159   1.533
 1075    HB3  LEU  30           HB1      LEU  30  16.919  -5.772   1.643
 1076    HG   LEU  30           HG       LEU  30  18.926  -4.138   0.112
 1077   HD11  LEU  30          HD11      LEU  30  16.973  -6.221  -0.849
 1078   HD12  LEU  30          HD12      LEU  30  18.731  -6.354  -0.854
 1079   HD13  LEU  30          HD13      LEU  30  17.935  -5.167  -1.887
 1080   HD21  LEU  30          HD21      LEU  30  17.052  -2.787   0.705
 1081   HD22  LEU  30          HD22      LEU  30  15.926  -4.066   0.254
 1082   HD23  LEU  30          HD23      LEU  30  16.865  -3.246  -0.987
 1083    H    VAL  31           HN       VAL  31  17.412  -2.099   3.219
 1084    HA   VAL  31           HA       VAL  31  19.696  -0.921   1.805
 1085    HB   VAL  31           HB       VAL  31  17.728   0.060   0.969
 1086   HG11  VAL  31          HG11      VAL  31  16.787   0.446   3.805
 1087   HG12  VAL  31          HG12      VAL  31  16.173  -0.747   2.660
 1088   HG13  VAL  31          HG13      VAL  31  15.939   0.974   2.350
 1089   HG21  VAL  31          HG21      VAL  31  17.768   2.412   2.008
 1090   HG22  VAL  31          HG22      VAL  31  19.246   1.800   1.271
 1091   HG23  VAL  31          HG23      VAL  31  19.063   1.788   3.024
 1092    HA   PRO  32           HA       PRO  32  21.836  -0.396   5.648
 1093    HB2  PRO  32           HB2      PRO  32  22.601   2.168   4.279
 1094    HB3  PRO  32           HB1      PRO  32  23.618   1.042   5.187
 1095    HG2  PRO  32           HG2      PRO  32  23.578   1.024   2.511
 1096    HG3  PRO  32           HG1      PRO  32  23.732  -0.473   3.447
 1097    HD2  PRO  32           HD2      PRO  32  21.438   0.539   1.883
 1098    HD3  PRO  32           HD1      PRO  32  21.839  -1.126   2.350
 1099    H    GLN  33           HN       GLN  33  20.958   0.311   7.495
 1100    HA   GLN  33           HA       GLN  33  18.722   1.882   7.732
 1101    HB2  GLN  33           HB2      GLN  33  19.479   0.439   9.522
 1102    HB3  GLN  33           HB1      GLN  33  20.903   1.440   9.772
 1103    HG2  GLN  33           HG2      GLN  33  19.457   3.307  10.434
 1104    HG3  GLN  33           HG1      GLN  33  18.046   2.272  10.224
 1105   HE21  GLN  33          HE21      GLN  33  19.040   3.646  12.604
 1106   HE22  GLN  33          HE22      GLN  33  19.281   2.419  13.797
 1107    HA   PRO  34           HA       PRO  34  21.577   5.699   8.930
 1108    HB2  PRO  34           HB2      PRO  34  23.913   5.710   7.437
 1109    HB3  PRO  34           HB1      PRO  34  23.795   5.282   9.146
 1110    HG2  PRO  34           HG2      PRO  34  23.892   3.505   6.747
 1111    HG3  PRO  34           HG1      PRO  34  24.662   3.297   8.331
 1112    HD2  PRO  34           HD2      PRO  34  22.458   1.937   7.673
 1113    HD3  PRO  34           HD1      PRO  34  22.701   2.547   9.323
 1114    H    LEU  35           HN       LEU  35  21.458   4.177   5.764
 1115    HA   LEU  35           HA       LEU  35  21.516   6.659   4.315
 1116    HB2  LEU  35           HB2      LEU  35  22.448   4.635   3.336
 1117    HB3  LEU  35           HB1      LEU  35  20.908   3.817   3.490
 1118    HG   LEU  35           HG       LEU  35  19.942   5.370   1.848
 1119   HD11  LEU  35          HD11      LEU  35  21.396   7.286   2.216
 1120   HD12  LEU  35          HD12      LEU  35  21.384   6.804   0.518
 1121   HD13  LEU  35          HD13      LEU  35  22.755   6.384   1.545
 1122   HD21  LEU  35          HD21      LEU  35  22.418   3.954   0.893
 1123   HD22  LEU  35          HD22      LEU  35  21.043   4.431  -0.104
 1124   HD23  LEU  35          HD23      LEU  35  20.841   3.209   1.151
 1125    H    VAL  36           HN       VAL  36  19.132   4.458   5.595
 1126    HA   VAL  36           HA       VAL  36  16.890   5.640   4.220
 1127    HB   VAL  36           HB       VAL  36  17.019   3.813   6.635
 1128   HG11  VAL  36          HG11      VAL  36  14.565   3.566   6.344
 1129   HG12  VAL  36          HG12      VAL  36  14.604   4.899   5.190
 1130   HG13  VAL  36          HG13      VAL  36  15.049   5.176   6.874
 1131   HG21  VAL  36          HG21      VAL  36  16.151   3.336   3.785
 1132   HG22  VAL  36          HG22      VAL  36  16.077   2.152   5.091
 1133   HG23  VAL  36          HG23      VAL  36  17.638   2.755   4.535
 1134    H    ASP  37           HN       ASP  37  18.477   6.067   7.341
 1135    HA   ASP  37           HA       ASP  37  16.618   7.827   8.482
 1136    HB2  ASP  37           HB2      ASP  37  19.630   7.719   8.793
 1137    HB3  ASP  37           HB1      ASP  37  18.560   8.677   9.812
 1138    H    SER  38           HN       SER  38  19.409   8.404   6.326
 1139    HA   SER  38           HA       SER  38  19.261  11.180   6.257
 1140    HB2  SER  38           HB2      SER  38  21.128   9.903   5.287
 1141    HB3  SER  38           HB1      SER  38  20.060   9.300   4.019
 1142    HG   SER  38           HG       SER  38  21.250  11.779   4.311
 1143    H    TYR  39           HN       TYR  39  17.590   8.779   4.234
 1144    HA   TYR  39           HA       TYR  39  16.257  10.599   2.568
 1145    HB2  TYR  39           HB2      TYR  39  16.110   8.432   1.776
 1146    HB3  TYR  39           HB1      TYR  39  15.795   7.757   3.372
 1147    HD1  TYR  39           HD1      TYR  39  14.255   9.697   0.610
 1148    HD2  TYR  39           HD2      TYR  39  13.594   7.370   4.107
 1149    HE1  TYR  39           HE1      TYR  39  11.849   9.661   0.124
 1150    HE2  TYR  39           HE2      TYR  39  11.191   7.325   3.634
 1151    HH   TYR  39           HH       TYR  39   9.881   8.322   0.645
 1152    H    ARG  40           HN       ARG  40  15.304   9.114   5.633
 1153    HA   ARG  40           HA       ARG  40  12.722  10.125   5.840
 1154    HB2  ARG  40           HB2      ARG  40  14.753   9.483   7.979
 1155    HB3  ARG  40           HB1      ARG  40  13.076   9.886   8.327
 1156    HG2  ARG  40           HG2      ARG  40  12.327   7.953   7.065
 1157    HG3  ARG  40           HG1      ARG  40  13.997   7.564   6.646
 1158    HD2  ARG  40           HD2      ARG  40  14.516   7.278   9.025
 1159    HD3  ARG  40           HD1      ARG  40  12.840   7.645   9.429
 1160    HE   ARG  40           HE       ARG  40  12.775   5.534   7.643
 1161   HH11  ARG  40          HH11      ARG  40  14.055   6.166  10.821
 1162   HH12  ARG  40          HH12      ARG  40  13.908   4.523  11.349
 1163   HH21  ARG  40          HH21      ARG  40  12.578   3.367   8.328
 1164   HH22  ARG  40          HH22      ARG  40  13.070   2.931   9.930
 1165    H    GLN  41           HN       GLN  41  15.808  11.633   6.560
 1166    HA   GLN  41           HA       GLN  41  14.755  13.961   7.827
 1167    HB2  GLN  41           HB2      GLN  41  17.362  13.526   6.356
 1168    HB3  GLN  41           HB1      GLN  41  16.971  14.966   7.287
 1169    HG2  GLN  41           HG2      GLN  41  16.639  13.429   9.267
 1170    HG3  GLN  41           HG1      GLN  41  17.383  12.168   8.285
 1171   HE21  GLN  41          HE21      GLN  41  19.566  12.293   7.798
 1172   HE22  GLN  41          HE22      GLN  41  20.639  13.366   8.621
 1173    H    GLN  42           HN       GLN  42  15.797  13.291   4.496
 1174    HA   GLN  42           HA       GLN  42  15.120  15.810   3.445
 1175    HB2  GLN  42           HB2      GLN  42  16.539  14.132   2.280
 1176    HB3  GLN  42           HB1      GLN  42  15.106  13.148   2.008
 1177    HG2  GLN  42           HG2      GLN  42  15.542  14.340   0.007
 1178    HG3  GLN  42           HG1      GLN  42  14.120  15.066   0.757
 1179   HE21  GLN  42          HE21      GLN  42  17.467  15.489  -0.057
 1180   HE22  GLN  42          HE22      GLN  42  17.539  17.188   0.251
 1181    H    GLN  43           HN       GLN  43  13.234  13.052   4.302
 1182    HA   GLN  43           HA       GLN  43  10.898  13.863   2.806
 1183    HB2  GLN  43           HB2      GLN  43  11.512  11.459   3.331
 1184    HB3  GLN  43           HB1      GLN  43  11.056  11.790   4.997
 1185    HG2  GLN  43           HG2      GLN  43   9.267  10.687   3.762
 1186    HG3  GLN  43           HG1      GLN  43   8.792  12.294   4.308
 1187   HE21  GLN  43          HE21      GLN  43   8.486  13.925   2.810
 1188   HE22  GLN  43          HE22      GLN  43   8.337  13.612   1.118
 1189    H    GLN  44           HN       GLN  44  12.160  14.113   6.052
 1190    HA   GLN  44           HA       GLN  44   9.790  15.002   7.325
 1191    HB2  GLN  44           HB2      GLN  44  11.951  14.144   8.416
 1192    HB3  GLN  44           HB1      GLN  44  12.583  15.760   8.152
 1193    HG2  GLN  44           HG2      GLN  44  11.685  15.421  10.421
 1194    HG3  GLN  44           HG1      GLN  44  10.907  16.729   9.538
 1195   HE21  GLN  44          HE21      GLN  44  10.239  13.310   9.033
 1196   HE22  GLN  44          HE22      GLN  44   8.624  13.354   9.634
 1197    H    LEU  45           HN       LEU  45  12.092  16.473   5.256
 1198    HA   LEU  45           HA       LEU  45  11.925  19.162   5.921
 1199    HB2  LEU  45           HB2      LEU  45  13.500  18.749   4.303
 1200    HB3  LEU  45           HB1      LEU  45  12.476  17.620   3.440
 1201    HG   LEU  45           HG       LEU  45  11.105  19.717   2.775
 1202   HD11  LEU  45          HD11      LEU  45  13.741  20.994   3.487
 1203   HD12  LEU  45          HD12      LEU  45  12.208  21.259   4.318
 1204   HD13  LEU  45          HD13      LEU  45  12.401  21.770   2.642
 1205   HD21  LEU  45          HD21      LEU  45  12.246  18.466   1.125
 1206   HD22  LEU  45          HD22      LEU  45  13.821  19.038   1.679
 1207   HD23  LEU  45          HD23      LEU  45  12.706  20.153   0.887
 1208    H    LEU  46           HN       LEU  46   9.890  17.310   3.664
 1209    HA   LEU  46           HA       LEU  46   7.727  19.218   4.145
 1210    HB2  LEU  46           HB2      LEU  46   8.798  19.990   2.118
 1211    HB3  LEU  46           HB1      LEU  46   8.730  18.383   1.427
 1212    HG   LEU  46           HG       LEU  46   6.361  18.501   1.154
 1213   HD11  LEU  46          HD11      LEU  46   5.049  20.437   1.877
 1214   HD12  LEU  46          HD12      LEU  46   6.478  21.106   2.664
 1215   HD13  LEU  46          HD13      LEU  46   5.779  19.594   3.242
 1216   HD21  LEU  46          HD21      LEU  46   7.551  21.162   0.374
 1217   HD22  LEU  46          HD22      LEU  46   6.132  20.398  -0.343
 1218   HD23  LEU  46          HD23      LEU  46   7.723  19.661  -0.535
 1219    H    GLN  47           HN       GLN  47   6.765  17.597   5.391
 1220    HA   GLN  47           HA       GLN  47   6.090  15.043   4.202
 1221    HB2  GLN  47           HB2      GLN  47   6.603  15.700   6.726
 1222    HB3  GLN  47           HB1      GLN  47   4.871  15.996   6.753
 1223    HG2  GLN  47           HG2      GLN  47   5.999  13.413   5.750
 1224    HG3  GLN  47           HG1      GLN  47   5.723  13.696   7.467
 1225   HE21  GLN  47          HE21      GLN  47   4.258  13.212   4.364
 1226   HE22  GLN  47          HE22      GLN  47   2.646  12.961   4.935
 1227    H    ARG  48           HN       ARG  48   5.093  17.126   2.690
 1228    HA   ARG  48           HA       ARG  48   2.226  16.638   2.918
 1229    HB2  ARG  48           HB2      ARG  48   3.441  19.395   2.694
 1230    HB3  ARG  48           HB1      ARG  48   1.734  19.039   2.480
 1231    HG2  ARG  48           HG2      ARG  48   1.559  18.308   4.769
 1232    HG3  ARG  48           HG1      ARG  48   3.293  18.534   5.001
 1233    HD2  ARG  48           HD2      ARG  48   2.015  20.403   5.925
 1234    HD3  ARG  48           HD1      ARG  48   3.052  20.922   4.598
 1235    HE   ARG  48           HE       ARG  48   0.584  20.353   3.489
 1236   HH11  ARG  48          HH11      ARG  48   1.882  22.559   5.852
 1237   HH12  ARG  48          HH12      ARG  48   0.710  23.793   5.533
 1238   HH21  ARG  48          HH21      ARG  48  -0.963  21.971   3.061
 1239   HH22  ARG  48          HH22      ARG  48  -0.907  23.460   3.945
 1240    H    ASP   1           HT1      ASP   1  -7.920 -15.100 -15.156
 1241    HA   ASP   1           HA       ASP   1  -6.141 -15.943 -13.789
 1242    HB2  ASP   1           HB2      ASP   1  -4.346 -14.746 -15.915
 1243    HB3  ASP   1           HB1      ASP   1  -3.805 -15.440 -14.389
 1244    H    GLU   2           HN       GLU   2  -7.328 -14.402 -12.587
 1245    HA   GLU   2           HA       GLU   2  -5.839 -12.091 -11.867
 1246    HB2  GLU   2           HB2      GLU   2  -7.523 -10.390 -12.466
 1247    HB3  GLU   2           HB1      GLU   2  -6.823 -11.157 -13.885
 1248    HG2  GLU   2           HG2      GLU   2  -8.799 -12.563 -14.112
 1249    HG3  GLU   2           HG1      GLU   2  -9.499 -11.818 -12.676
 1250    H    ASP   3           HN       ASP   3  -7.511 -14.539 -10.957
 1251    HA   ASP   3           HA       ASP   3  -9.478 -13.380  -9.214
 1252    HB2  ASP   3           HB2      ASP   3  -8.307 -16.169  -9.212
 1253    HB3  ASP   3           HB1      ASP   3  -9.746 -15.651  -8.340
 1254    H    THR   4           HN       THR   4  -8.618 -15.310  -6.978
 1255    HA   THR   4           HA       THR   4  -7.143 -13.353  -5.528
 1256    HB   THR   4           HB       THR   4  -7.170 -16.010  -4.336
 1257    HG1  THR   4           HG1      THR   4  -9.396 -16.135  -4.109
 1258   HG21  THR   4          HG21      THR   4  -6.650 -14.038  -3.041
 1259   HG22  THR   4          HG22      THR   4  -8.163 -14.734  -2.459
 1260   HG23  THR   4          HG23      THR   4  -8.191 -13.302  -3.492
 1261    H    TYR   5           HN       TYR   5  -5.134 -13.398  -4.779
 1262    HA   TYR   5           HA       TYR   5  -3.242 -15.226  -6.098
 1263    HB2  TYR   5           HB2      TYR   5  -3.147 -12.260  -5.738
 1264    HB3  TYR   5           HB1      TYR   5  -1.707 -13.220  -6.068
 1265    HD1  TYR   5           HD2      TYR   5  -1.701 -14.670  -8.164
 1266    HD2  TYR   5           HD1      TYR   5  -4.546 -11.584  -7.486
 1267    HE1  TYR   5           HE2      TYR   5  -2.192 -14.604 -10.570
 1268    HE2  TYR   5           HE1      TYR   5  -5.045 -11.505  -9.891
 1269    HH   TYR   5           HH       TYR   5  -3.993 -13.918 -12.059
 1270    H    TYR   6           HN       TYR   6  -1.151 -15.409  -4.816
 1271    HA   TYR   6           HA       TYR   6  -1.594 -14.708  -2.000
 1272    HB2  TYR   6           HB2      TYR   6   0.291 -16.863  -2.984
 1273    HB3  TYR   6           HB1      TYR   6  -0.295 -16.612  -1.344
 1274    HD1  TYR   6           HD1      TYR   6  -3.218 -16.173  -2.018
 1275    HD2  TYR   6           HD2      TYR   6  -0.427 -19.099  -3.338
 1276    HE1  TYR   6           HE1      TYR   6  -5.067 -17.731  -2.425
 1277    HE2  TYR   6           HE2      TYR   6  -2.272 -20.672  -3.756
 1278    HH   TYR   6           HH       TYR   6  -4.583 -21.043  -3.009
 1279    H    LEU   7           HN       LEU   7  -0.309 -13.352  -1.046
 1280    HA   LEU   7           HA       LEU   7   2.092 -12.398  -2.474
 1281    HB2  LEU   7           HB2      LEU   7  -0.187 -11.098  -1.596
 1282    HB3  LEU   7           HB1      LEU   7   0.969 -10.769  -0.336
 1283    HG   LEU   7           HG       LEU   7   2.097  -9.279  -1.582
 1284   HD11  LEU   7          HD11      LEU   7   3.191 -10.160  -3.305
 1285   HD12  LEU   7          HD12      LEU   7   1.827  -9.584  -4.265
 1286   HD13  LEU   7          HD13      LEU   7   1.873 -11.256  -3.706
 1287   HD21  LEU   7          HD21      LEU   7  -0.281  -8.660  -1.602
 1288   HD22  LEU   7          HD22      LEU   7  -0.426  -9.398  -3.197
 1289   HD23  LEU   7          HD23      LEU   7   0.624  -7.999  -2.966
 1290    H    GLN   8           HN       GLN   8   3.827 -13.451  -1.541
 1291    HA   GLN   8           HA       GLN   8   3.864 -13.964   1.236
 1292    HB2  GLN   8           HB2      GLN   8   5.063 -15.063  -0.897
 1293    HB3  GLN   8           HB1      GLN   8   6.366 -14.040  -0.327
 1294    HG2  GLN   8           HG2      GLN   8   5.836 -15.156   1.961
 1295    HG3  GLN   8           HG1      GLN   8   5.128 -16.406   0.936
 1296   HE21  GLN   8          HE21      GLN   8   6.599 -17.965   1.230
 1297   HE22  GLN   8          HE22      GLN   8   8.250 -17.857   0.734
 1298    H    VAL   9           HN       VAL   9   4.116 -12.483   2.687
 1299    HA   VAL   9           HA       VAL   9   5.968 -10.305   2.097
 1300    HB   VAL   9           HB       VAL   9   3.415 -10.248   3.707
 1301   HG11  VAL   9          HG11      VAL   9   5.026  -9.013   4.974
 1302   HG12  VAL   9          HG12      VAL   9   3.911  -7.887   4.200
 1303   HG13  VAL   9          HG13      VAL   9   5.530  -8.118   3.540
 1304   HG21  VAL   9          HG21      VAL   9   2.681  -8.601   2.129
 1305   HG22  VAL   9          HG22      VAL   9   3.267 -10.010   1.244
 1306   HG23  VAL   9          HG23      VAL   9   4.269  -8.563   1.364
 1307    H    ARG  10           HN       ARG  10   7.669 -10.051   3.440
 1308    HA   ARG  10           HA       ARG  10   7.754 -11.832   5.773
 1309    HB2  ARG  10           HB2      ARG  10   9.550 -11.826   3.875
 1310    HB3  ARG  10           HB1      ARG  10  10.143 -10.376   4.671
 1311    HG2  ARG  10           HG2      ARG  10   9.724 -12.908   6.210
 1312    HG3  ARG  10           HG1      ARG  10  11.193 -12.643   5.271
 1313    HD2  ARG  10           HD2      ARG  10  11.578 -10.551   6.524
 1314    HD3  ARG  10           HD1      ARG  10  10.149 -10.896   7.497
 1315    HE   ARG  10           HE       ARG  10  11.847 -13.104   7.648
 1316   HH11  ARG  10          HH11      ARG  10  11.789  -9.756   8.612
 1317   HH12  ARG  10          HH12      ARG  10  12.806 -10.003   9.993
 1318   HH21  ARG  10          HH21      ARG  10  13.185 -13.438   9.462
 1319   HH22  ARG  10          HH22      ARG  10  13.600 -12.096  10.476
 1320    H    GLY  11           HN       GLY  11   7.995 -11.114   7.784
 1321    HA2  GLY  11           HA2      GLY  11   8.531  -9.517   9.457
 1322    HA3  GLY  11           HA1      GLY  11   8.564  -8.267   8.221
 1323    H    ARG  12           HN       ARG  12   6.967  -9.166  10.855
 1324    HA   ARG  12           HA       ARG  12   4.260  -9.179  10.283
 1325    HB2  ARG  12           HB2      ARG  12   5.543  -9.460  12.535
 1326    HB3  ARG  12           HB1      ARG  12   5.305  -7.724  12.687
 1327    HG2  ARG  12           HG2      ARG  12   3.543  -8.777  13.861
 1328    HG3  ARG  12           HG1      ARG  12   2.854  -8.130  12.370
 1329    HD2  ARG  12           HD2      ARG  12   2.853 -10.294  11.353
 1330    HD3  ARG  12           HD1      ARG  12   3.760 -10.983  12.699
 1331    HE   ARG  12           HE       ARG  12   1.640 -10.231  14.012
 1332   HH11  ARG  12          HH11      ARG  12   1.744 -11.579  10.801
 1333   HH12  ARG  12          HH12      ARG  12   0.179 -12.310  10.918
 1334   HH21  ARG  12          HH21      ARG  12  -0.420 -11.188  14.175
 1335   HH22  ARG  12          HH22      ARG  12  -1.052 -12.087  12.836
 1336    H    GLU  13           HN       GLU  13   6.237  -6.249  10.930
 1337    HA   GLU  13           HA       GLU  13   4.202  -4.407  10.822
 1338    HB2  GLU  13           HB2      GLU  13   6.598  -3.974  11.407
 1339    HB3  GLU  13           HB1      GLU  13   6.963  -3.977   9.687
 1340    HG2  GLU  13           HG2      GLU  13   6.749  -1.726  10.287
 1341    HG3  GLU  13           HG1      GLU  13   5.254  -2.144   9.453
 1342    H    ASN  14           HN       ASN  14   6.087  -5.667   8.089
 1343    HA   ASN  14           HA       ASN  14   4.838  -4.091   6.088
 1344    HB2  ASN  14           HB2      ASN  14   6.198  -6.775   5.796
 1345    HB3  ASN  14           HB1      ASN  14   5.907  -5.600   4.518
 1346   HD21  ASN  14          HD21      ASN  14   8.416  -6.726   5.359
 1347   HD22  ASN  14          HD22      ASN  14   9.410  -5.409   5.870
 1348    H    PHE  15           HN       PHE  15   4.285  -7.384   7.278
 1349    HA   PHE  15           HA       PHE  15   2.309  -8.155   5.486
 1350    HB2  PHE  15           HB2      PHE  15   3.453  -9.652   7.102
 1351    HB3  PHE  15           HB1      PHE  15   2.509  -8.928   8.400
 1352    HD1  PHE  15           HD1      PHE  15   1.416  -9.913   4.975
 1353    HD2  PHE  15           HD2      PHE  15   1.175 -10.658   9.167
 1354    HE1  PHE  15           HE1      PHE  15  -0.364 -11.540   4.575
 1355    HE2  PHE  15           HE2      PHE  15  -0.637 -12.286   8.760
 1356    HZ   PHE  15           HZ       PHE  15  -1.400 -12.723   6.456
 1357    H    GLU  16           HN       GLU  16   1.968  -6.502   8.611
 1358    HA   GLU  16           HA       GLU  16  -0.864  -6.360   8.651
 1359    HB2  GLU  16           HB2      GLU  16   1.201  -4.554   9.921
 1360    HB3  GLU  16           HB1      GLU  16  -0.516  -4.551  10.300
 1361    HG2  GLU  16           HG2      GLU  16   1.363  -6.867  10.703
 1362    HG3  GLU  16           HG1      GLU  16   0.791  -5.772  11.960
 1363    H    ILE  17           HN       ILE  17   1.533  -3.999   7.420
 1364    HA   ILE  17           HA       ILE  17  -0.412  -2.053   6.774
 1365    HB   ILE  17           HB       ILE  17   2.426  -2.477   6.130
 1366   HG12  ILE  17          HG12      ILE  17   0.987   0.126   6.528
 1367   HG13  ILE  17          HG11      ILE  17   1.264  -0.951   7.890
 1368   HG21  ILE  17          HG21      ILE  17   1.542  -2.235   3.861
 1369   HG22  ILE  17          HG22      ILE  17   2.473  -0.812   4.337
 1370   HG23  ILE  17          HG23      ILE  17   0.708  -0.755   4.343
 1371   HD11  ILE  17          HD11      ILE  17   3.633  -0.780   7.611
 1372   HD12  ILE  17          HD12      ILE  17   2.948   0.849   7.634
 1373   HD13  ILE  17          HD13      ILE  17   3.437   0.117   6.103
 1374    H    LEU  18           HN       LEU  18   0.940  -4.770   4.894
 1375    HA   LEU  18           HA       LEU  18  -0.452  -4.045   2.492
 1376    HB2  LEU  18           HB2      LEU  18   1.156  -6.410   3.401
 1377    HB3  LEU  18           HB1      LEU  18   0.265  -6.439   1.892
 1378    HG   LEU  18           HG       LEU  18   2.068  -4.125   2.284
 1379   HD11  LEU  18          HD11      LEU  18   3.280  -6.186   3.172
 1380   HD12  LEU  18          HD12      LEU  18   4.069  -5.275   1.885
 1381   HD13  LEU  18          HD13      LEU  18   3.230  -6.778   1.512
 1382   HD21  LEU  18          HD21      LEU  18   2.555  -4.680  -0.104
 1383   HD22  LEU  18          HD22      LEU  18   0.865  -4.311   0.233
 1384   HD23  LEU  18          HD23      LEU  18   1.376  -5.985   0.019
 1385    H    MET  19           HN       MET  19  -0.948  -6.288   5.183
 1386    HA   MET  19           HA       MET  19  -3.102  -7.700   4.056
 1387    HB2  MET  19           HB2      MET  19  -1.697  -8.120   6.279
 1388    HB3  MET  19           HB1      MET  19  -3.006  -7.218   7.020
 1389    HG2  MET  19           HG2      MET  19  -3.155  -9.847   5.579
 1390    HG3  MET  19           HG1      MET  19  -3.479  -9.512   7.274
 1391    HE1  MET  19           HE1      MET  19  -6.816 -10.617   5.282
 1392    HE2  MET  19           HE2      MET  19  -5.737 -11.116   6.585
 1393    HE3  MET  19           HE3      MET  19  -5.143 -11.055   4.923
 1394    H    LYS  20           HN       LYS  20  -3.103  -4.926   6.264
 1395    HA   LYS  20           HA       LYS  20  -5.856  -4.450   6.357
 1396    HB2  LYS  20           HB2      LYS  20  -3.844  -3.311   7.579
 1397    HB3  LYS  20           HB1      LYS  20  -3.872  -2.214   6.207
 1398    HG2  LYS  20           HG2      LYS  20  -6.348  -2.766   7.798
 1399    HG3  LYS  20           HG1      LYS  20  -5.167  -1.565   8.320
 1400    HD2  LYS  20           HD2      LYS  20  -5.400  -0.461   6.103
 1401    HD3  LYS  20           HD1      LYS  20  -6.688  -1.603   5.717
 1402    HE2  LYS  20           HE2      LYS  20  -6.714   0.262   8.083
 1403    HE3  LYS  20           HE1      LYS  20  -7.497   0.600   6.541
 1404    HZ1  LYS  20           HZ1      LYS  20  -8.881  -1.348   6.846
 1405    HZ2  LYS  20           HZ2      LYS  20  -9.048  -0.305   8.168
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.111  -1.706   8.310
 1407    H    LEU  21           HN       LEU  21  -3.396  -3.631   4.017
 1408    HA   LEU  21           HA       LEU  21  -5.061  -2.014   2.386
 1409    HB2  LEU  21           HB2      LEU  21  -2.457  -2.198   2.576
 1410    HB3  LEU  21           HB1      LEU  21  -2.629  -3.467   1.388
 1411    HG   LEU  21           HG       LEU  21  -3.054  -0.527   1.089
 1412   HD11  LEU  21          HD11      LEU  21  -1.599  -0.797  -0.793
 1413   HD12  LEU  21          HD12      LEU  21  -1.665  -2.551  -0.649
 1414   HD13  LEU  21          HD13      LEU  21  -0.874  -1.594   0.603
 1415   HD21  LEU  21          HD21      LEU  21  -4.168  -2.636  -0.753
 1416   HD22  LEU  21          HD22      LEU  21  -4.068  -0.911  -1.110
 1417   HD23  LEU  21          HD23      LEU  21  -5.098  -1.481   0.201
 1418    H    LYS  22           HN       LYS  22  -4.213  -5.459   2.286
 1419    HA   LYS  22           HA       LYS  22  -5.295  -6.105  -0.190
 1420    HB2  LYS  22           HB2      LYS  22  -4.008  -7.737   1.040
 1421    HB3  LYS  22           HB1      LYS  22  -5.146  -7.701   2.379
 1422    HG2  LYS  22           HG2      LYS  22  -6.586  -8.388   0.035
 1423    HG3  LYS  22           HG1      LYS  22  -5.136  -9.388   0.101
 1424    HD2  LYS  22           HD2      LYS  22  -6.766  -9.054   2.575
 1425    HD3  LYS  22           HD1      LYS  22  -7.352 -10.132   1.307
 1426    HE2  LYS  22           HE2      LYS  22  -5.049 -11.215   1.378
 1427    HE3  LYS  22           HE1      LYS  22  -4.790 -10.311   2.869
 1428    HZ1  LYS  22           HZ1      LYS  22  -5.575 -12.411   3.505
 1429    HZ2  LYS  22           HZ2      LYS  22  -6.797 -12.415   2.337
 1430    HZ3  LYS  22           HZ3      LYS  22  -6.909 -11.383   3.671
 1431    H    GLU  23           HN       GLU  23  -6.744  -5.713   2.959
 1432    HA   GLU  23           HA       GLU  23  -9.370  -6.536   2.254
 1433    HB2  GLU  23           HB2      GLU  23  -9.016  -6.588   4.543
 1434    HB3  GLU  23           HB1      GLU  23  -8.082  -5.101   4.538
 1435    HG2  GLU  23           HG2      GLU  23 -10.067  -3.785   4.340
 1436    HG3  GLU  23           HG1      GLU  23 -11.056  -5.231   4.133
 1437    H    SER  24           HN       SER  24  -7.862  -3.299   2.440
 1438    HA   SER  24           HA       SER  24 -10.180  -1.950   1.697
 1439    HB2  SER  24           HB2      SER  24  -8.812  -0.026   1.242
 1440    HB3  SER  24           HB1      SER  24  -8.139  -0.863   2.642
 1441    HG   SER  24           HG       SER  24  -6.375  -1.196   1.559
 1442    H    LEU  25           HN       LEU  25  -7.536  -3.154  -0.367
 1443    HA   LEU  25           HA       LEU  25  -8.533  -2.137  -2.826
 1444    HB2  LEU  25           HB2      LEU  25  -6.557  -4.231  -2.045
 1445    HB3  LEU  25           HB1      LEU  25  -7.103  -4.144  -3.706
 1446    HG   LEU  25           HG       LEU  25  -5.852  -1.828  -2.233
 1447   HD11  LEU  25          HD11      LEU  25  -3.866  -2.327  -3.651
 1448   HD12  LEU  25          HD12      LEU  25  -4.625  -3.859  -4.085
 1449   HD13  LEU  25          HD13      LEU  25  -4.191  -3.533  -2.407
 1450   HD21  LEU  25          HD21      LEU  25  -7.324  -1.251  -4.136
 1451   HD22  LEU  25          HD22      LEU  25  -6.317  -2.260  -5.180
 1452   HD23  LEU  25          HD23      LEU  25  -5.632  -0.825  -4.410
 1453    H    GLU  26           HN       GLU  26  -8.931  -5.313  -1.280
 1454    HA   GLU  26           HA       GLU  26 -10.382  -6.456  -3.423
 1455    HB2  GLU  26           HB2      GLU  26 -10.068  -7.156  -0.526
 1456    HB3  GLU  26           HB1      GLU  26 -11.205  -8.035  -1.541
 1457    HG2  GLU  26           HG2      GLU  26  -9.263  -8.440  -3.116
 1458    HG3  GLU  26           HG1      GLU  26  -8.224  -7.847  -1.823
 1459    H    LEU  27           HN       LEU  27 -11.399  -4.801  -0.474
 1460    HA   LEU  27           HA       LEU  27 -14.203  -5.160  -0.764
 1461    HB2  LEU  27           HB2      LEU  27 -12.497  -3.177   0.690
 1462    HB3  LEU  27           HB1      LEU  27 -14.245  -3.080   0.686
 1463    HG   LEU  27           HG       LEU  27 -12.819  -5.551   1.624
 1464   HD11  LEU  27          HD11      LEU  27 -13.616  -3.145   3.259
 1465   HD12  LEU  27          HD12      LEU  27 -11.965  -3.661   2.914
 1466   HD13  LEU  27          HD13      LEU  27 -13.019  -4.677   3.897
 1467   HD21  LEU  27          HD21      LEU  27 -14.903  -5.882   2.867
 1468   HD22  LEU  27          HD22      LEU  27 -15.208  -5.745   1.136
 1469   HD23  LEU  27          HD23      LEU  27 -15.541  -4.377   2.201
 1470    H    MET  28           HN       MET  28 -12.033  -2.767  -2.293
 1471    HA   MET  28           HA       MET  28 -13.984  -0.944  -2.816
 1472    HB2  MET  28           HB2      MET  28 -11.433  -1.611  -4.159
 1473    HB3  MET  28           HB1      MET  28 -12.565  -0.675  -5.126
 1474    HG2  MET  28           HG2      MET  28 -10.809   0.565  -3.729
 1475    HG3  MET  28           HG1      MET  28 -12.468   1.151  -3.709
 1476    HE1  MET  28           HE1      MET  28 -13.759   1.541  -2.025
 1477    HE2  MET  28           HE2      MET  28 -13.533   1.204  -0.310
 1478    HE3  MET  28           HE3      MET  28 -14.194  -0.036  -1.369
 1479    H    GLU  29           HN       GLU  29 -14.030  -4.090  -3.959
 1480    HA   GLU  29           HA       GLU  29 -15.602  -3.449  -6.315
 1481    HB2  GLU  29           HB2      GLU  29 -15.467  -5.727  -6.871
 1482    HB3  GLU  29           HB1      GLU  29 -13.903  -5.358  -6.157
 1483    HG2  GLU  29           HG2      GLU  29 -14.655  -6.318  -4.033
 1484    HG3  GLU  29           HG1      GLU  29 -16.209  -6.705  -4.766
 1485    H    LEU  30           HN       LEU  30 -16.126  -4.048  -2.990
 1486    HA   LEU  30           HA       LEU  30 -18.817  -5.069  -3.450
 1487    HB2  LEU  30           HB2      LEU  30 -18.610  -6.179  -1.533
 1488    HB3  LEU  30           HB1      LEU  30 -16.909  -5.788  -1.644
 1489    HG   LEU  30           HG       LEU  30 -18.919  -4.157  -0.114
 1490   HD11  LEU  30          HD11      LEU  30 -16.965  -6.238   0.850
 1491   HD12  LEU  30          HD12      LEU  30 -18.723  -6.372   0.856
 1492   HD13  LEU  30          HD13      LEU  30 -17.927  -5.183   1.887
 1493   HD21  LEU  30          HD21      LEU  30 -17.047  -2.804  -0.707
 1494   HD22  LEU  30          HD22      LEU  30 -15.920  -4.081  -0.256
 1495   HD23  LEU  30          HD23      LEU  30 -16.860  -3.261   0.985
 1496    H    VAL  31           HN       VAL  31 -17.407  -2.118  -3.220
 1497    HA   VAL  31           HA       VAL  31 -19.692  -0.941  -1.804
 1498    HB   VAL  31           HB       VAL  31 -17.724   0.043  -0.970
 1499   HG11  VAL  31          HG11      VAL  31 -16.784   0.429  -3.807
 1500   HG12  VAL  31          HG12      VAL  31 -16.169  -0.764  -2.662
 1501   HG13  VAL  31          HG13      VAL  31 -15.937   0.958  -2.353
 1502   HG21  VAL  31          HG21      VAL  31 -17.767   2.394  -2.010
 1503   HG22  VAL  31          HG22      VAL  31 -19.244   1.780  -1.272
 1504   HG23  VAL  31          HG23      VAL  31 -19.061   1.769  -3.026
 1505    HA   PRO  32           HA       PRO  32 -21.834  -0.420  -5.647
 1506    HB2  PRO  32           HB2      PRO  32 -22.601   2.144  -4.280
 1507    HB3  PRO  32           HB1      PRO  32 -23.618   1.017  -5.188
 1508    HG2  PRO  32           HG2      PRO  32 -23.576   1.000  -2.511
 1509    HG3  PRO  32           HG1      PRO  32 -23.730  -0.498  -3.446
 1510    HD2  PRO  32           HD2      PRO  32 -21.435   0.517  -1.884
 1511    HD3  PRO  32           HD1      PRO  32 -21.836  -1.149  -2.350
 1512    H    GLN  33           HN       GLN  33 -20.956   0.288  -7.496
 1513    HA   GLN  33           HA       GLN  33 -18.723   1.861  -7.732
 1514    HB2  GLN  33           HB2      GLN  33 -19.478   0.418  -9.524
 1515    HB3  GLN  33           HB1      GLN  33 -20.903   1.418  -9.772
 1516    HG2  GLN  33           HG2      GLN  33 -19.460   3.287 -10.436
 1517    HG3  GLN  33           HG1      GLN  33 -18.048   2.253 -10.226
 1518   HE21  GLN  33          HE21      GLN  33 -19.043   3.624 -12.606
 1519   HE22  GLN  33          HE22      GLN  33 -19.283   2.397 -13.798
 1520    HA   PRO  34           HA       PRO  34 -21.581   5.675  -8.932
 1521    HB2  PRO  34           HB2      PRO  34 -23.917   5.685  -7.437
 1522    HB3  PRO  34           HB1      PRO  34 -23.799   5.256  -9.146
 1523    HG2  PRO  34           HG2      PRO  34 -23.895   3.480  -6.747
 1524    HG3  PRO  34           HG1      PRO  34 -24.664   3.271  -8.331
 1525    HD2  PRO  34           HD2      PRO  34 -22.459   1.913  -7.673
 1526    HD3  PRO  34           HD1      PRO  34 -22.702   2.521  -9.323
 1527    H    LEU  35           HN       LEU  35 -21.461   4.155  -5.766
 1528    HA   LEU  35           HA       LEU  35 -21.521   6.638  -4.318
 1529    HB2  LEU  35           HB2      LEU  35 -22.451   4.612  -3.338
 1530    HB3  LEU  35           HB1      LEU  35 -20.910   3.796  -3.492
 1531    HG   LEU  35           HG       LEU  35 -19.945   5.351  -1.850
 1532   HD11  LEU  35          HD11      LEU  35 -21.402   7.264  -2.219
 1533   HD12  LEU  35          HD12      LEU  35 -21.389   6.784  -0.522
 1534   HD13  LEU  35          HD13      LEU  35 -22.760   6.361  -1.548
 1535   HD21  LEU  35          HD21      LEU  35 -22.420   3.933  -0.894
 1536   HD22  LEU  35          HD22      LEU  35 -21.045   4.411   0.102
 1537   HD23  LEU  35          HD23      LEU  35 -20.842   3.188  -1.153
 1538    H    VAL  36           HN       VAL  36 -19.135   4.438  -5.597
 1539    HA   VAL  36           HA       VAL  36 -16.894   5.623  -4.223
 1540    HB   VAL  36           HB       VAL  36 -17.021   3.795  -6.637
 1541   HG11  VAL  36          HG11      VAL  36 -14.566   3.550  -6.348
 1542   HG12  VAL  36          HG12      VAL  36 -14.606   4.884  -5.194
 1543   HG13  VAL  36          HG13      VAL  36 -15.052   5.160  -6.878
 1544   HG21  VAL  36          HG21      VAL  36 -16.150   3.319  -3.788
 1545   HG22  VAL  36          HG22      VAL  36 -16.076   2.136  -5.093
 1546   HG23  VAL  36          HG23      VAL  36 -17.638   2.737  -4.537
 1547    H    ASP  37           HN       ASP  37 -18.481   6.046  -7.343
 1548    HA   ASP  37           HA       ASP  37 -16.625   7.808  -8.486
 1549    HB2  ASP  37           HB2      ASP  37 -19.637   7.697  -8.796
 1550    HB3  ASP  37           HB1      ASP  37 -18.568   8.656  -9.815
 1551    H    SER  38           HN       SER  38 -19.416   8.384  -6.329
 1552    HA   SER  38           HA       SER  38 -19.271  11.160  -6.260
 1553    HB2  SER  38           HB2      SER  38 -21.135   9.880  -5.290
 1554    HB3  SER  38           HB1      SER  38 -20.066   9.279  -4.023
 1555    HG   SER  38           HG       SER  38 -21.258  11.757  -4.315
 1556    H    TYR  39           HN       TYR  39 -17.596   8.762  -4.238
 1557    HA   TYR  39           HA       TYR  39 -16.265  10.583  -2.572
 1558    HB2  TYR  39           HB2      TYR  39 -16.116   8.415  -1.780
 1559    HB3  TYR  39           HB1      TYR  39 -15.800   7.741  -3.377
 1560    HD1  TYR  39           HD1      TYR  39 -14.262   9.683  -0.615
 1561    HD2  TYR  39           HD2      TYR  39 -13.598   7.355  -4.111
 1562    HE1  TYR  39           HE1      TYR  39 -11.856   9.649  -0.129
 1563    HE2  TYR  39           HE2      TYR  39 -11.195   7.313  -3.639
 1564    HH   TYR  39           HH       TYR  39  -9.887   8.313  -0.649
 1565    H    ARG  40           HN       ARG  40 -15.311   9.097  -5.638
 1566    HA   ARG  40           HA       ARG  40 -12.731  10.111  -5.844
 1567    HB2  ARG  40           HB2      ARG  40 -14.760   9.468  -7.983
 1568    HB3  ARG  40           HB1      ARG  40 -13.083   9.872  -8.330
 1569    HG2  ARG  40           HG2      ARG  40 -12.334   7.940  -7.069
 1570    HG3  ARG  40           HG1      ARG  40 -14.003   7.549  -6.650
 1571    HD2  ARG  40           HD2      ARG  40 -14.521   7.261  -9.029
 1572    HD3  ARG  40           HD1      ARG  40 -12.845   7.629  -9.433
 1573    HE   ARG  40           HE       ARG  40 -12.778   5.518  -7.647
 1574   HH11  ARG  40          HH11      ARG  40 -14.061   6.149 -10.824
 1575   HH12  ARG  40          HH12      ARG  40 -13.912   4.507 -11.352
 1576   HH21  ARG  40          HH21      ARG  40 -12.580   3.352  -8.332
 1577   HH22  ARG  40          HH22      ARG  40 -13.073   2.916  -9.934
 1578    H    GLN  41           HN       GLN  41 -15.818  11.617  -6.564
 1579    HA   GLN  41           HA       GLN  41 -14.768  13.945  -7.831
 1580    HB2  GLN  41           HB2      GLN  41 -17.375  13.506  -6.361
 1581    HB3  GLN  41           HB1      GLN  41 -16.986  14.947  -7.291
 1582    HG2  GLN  41           HG2      GLN  41 -16.650  13.411  -9.272
 1583    HG3  GLN  41           HG1      GLN  41 -17.394  12.149  -8.291
 1584   HE21  GLN  41          HE21      GLN  41 -19.576  12.271  -7.803
 1585   HE22  GLN  41          HE22      GLN  41 -20.651  13.343  -8.626
 1586    H    GLN  42           HN       GLN  42 -15.808  13.274  -4.500
 1587    HA   GLN  42           HA       GLN  42 -15.133  15.794  -3.450
 1588    HB2  GLN  42           HB2      GLN  42 -16.551  14.115  -2.285
 1589    HB3  GLN  42           HB1      GLN  42 -15.117  13.133  -2.013
 1590    HG2  GLN  42           HG2      GLN  42 -15.554  14.325  -0.012
 1591    HG3  GLN  42           HG1      GLN  42 -14.134  15.052  -0.762
 1592   HE21  GLN  42          HE21      GLN  42 -17.480  15.472   0.052
 1593   HE22  GLN  42          HE22      GLN  42 -17.554  17.171  -0.255
 1594    H    GLN  43           HN       GLN  43 -13.245  13.038  -4.307
 1595    HA   GLN  43           HA       GLN  43 -10.910  13.851  -2.812
 1596    HB2  GLN  43           HB2      GLN  43 -11.522  11.447  -3.335
 1597    HB3  GLN  43           HB1      GLN  43 -11.067  11.777  -5.002
 1598    HG2  GLN  43           HG2      GLN  43  -9.275  10.677  -3.767
 1599    HG3  GLN  43           HG1      GLN  43  -8.803  12.286  -4.314
 1600   HE21  GLN  43          HE21      GLN  43  -8.495  13.916  -2.817
 1601   HE22  GLN  43          HE22      GLN  43  -8.345  13.605  -1.125
 1602    H    GLN  44           HN       GLN  44 -12.172  14.100  -6.059
 1603    HA   GLN  44           HA       GLN  44  -9.803  14.991  -7.332
 1604    HB2  GLN  44           HB2      GLN  44 -11.963  14.131  -8.423
 1605    HB3  GLN  44           HB1      GLN  44 -12.597  15.746  -8.159
 1606    HG2  GLN  44           HG2      GLN  44 -11.700  15.408 -10.428
 1607    HG3  GLN  44           HG1      GLN  44 -10.922  16.717  -9.545
 1608   HE21  GLN  44          HE21      GLN  44 -10.251  13.299  -9.038
 1609   HE22  GLN  44          HE22      GLN  44  -8.636  13.344  -9.639
 1610    H    LEU  45           HN       LEU  45 -12.107  16.460  -5.262
 1611    HA   LEU  45           HA       LEU  45 -11.942  19.149  -5.927
 1612    HB2  LEU  45           HB2      LEU  45 -13.516  18.736  -4.309
 1613    HB3  LEU  45           HB1      LEU  45 -12.491  17.607  -3.446
 1614    HG   LEU  45           HG       LEU  45 -11.122  19.706  -2.783
 1615   HD11  LEU  45          HD11      LEU  45 -13.759  20.980  -3.495
 1616   HD12  LEU  45          HD12      LEU  45 -12.226  21.245  -4.327
 1617   HD13  LEU  45          HD13      LEU  45 -12.420  21.757  -2.650
 1618   HD21  LEU  45          HD21      LEU  45 -12.261  18.454  -1.131
 1619   HD22  LEU  45          HD22      LEU  45 -13.837  19.024  -1.686
 1620   HD23  LEU  45          HD23      LEU  45 -12.724  20.140  -0.893
 1621    H    LEU  46           HN       LEU  46  -9.905  17.300  -3.671
 1622    HA   LEU  46           HA       LEU  46  -7.744  19.210  -4.152
 1623    HB2  LEU  46           HB2      LEU  46  -8.815  19.982  -2.125
 1624    HB3  LEU  46           HB1      LEU  46  -8.746  18.374  -1.433
 1625    HG   LEU  46           HG       LEU  46  -6.376  18.495  -1.162
 1626   HD11  LEU  46          HD11      LEU  46  -5.067  20.431  -1.886
 1627   HD12  LEU  46          HD12      LEU  46  -6.497  21.099  -2.672
 1628   HD13  LEU  46          HD13      LEU  46  -5.797  19.587  -3.250
 1629   HD21  LEU  46          HD21      LEU  46  -7.569  21.154  -0.383
 1630   HD22  LEU  46          HD22      LEU  46  -6.149  20.391   0.335
 1631   HD23  LEU  46          HD23      LEU  46  -7.739  19.653   0.527
 1632    H    GLN  47           HN       GLN  47  -6.780  17.589  -5.398
 1633    HA   GLN  47           HA       GLN  47  -6.103  15.035  -4.209
 1634    HB2  GLN  47           HB2      GLN  47  -6.617  15.693  -6.733
 1635    HB3  GLN  47           HB1      GLN  47  -4.885  15.990  -6.760
 1636    HG2  GLN  47           HG2      GLN  47  -6.011  13.406  -5.756
 1637    HG3  GLN  47           HG1      GLN  47  -5.737  13.689  -7.474
 1638   HE21  GLN  47          HE21      GLN  47  -4.269  13.207  -4.372
 1639   HE22  GLN  47          HE22      GLN  47  -2.657  12.959  -4.943
 1640    H    ARG  48           HN       ARG  48  -5.107  17.120  -2.697
 1641    HA   ARG  48           HA       ARG  48  -2.239  16.635  -2.925
 1642    HB2  ARG  48           HB2      ARG  48  -3.458  19.391  -2.703
 1643    HB3  ARG  48           HB1      ARG  48  -1.750  19.037  -2.489
 1644    HG2  ARG  48           HG2      ARG  48  -1.576  18.305  -4.777
 1645    HG3  ARG  48           HG1      ARG  48  -3.311  18.530  -5.008
 1646    HD2  ARG  48           HD2      ARG  48  -2.034  20.399  -5.935
 1647    HD3  ARG  48           HD1      ARG  48  -3.070  20.918  -4.606
 1648    HE   ARG  48           HE       ARG  48  -0.601  20.351  -3.499
 1649   HH11  ARG  48          HH11      ARG  48  -1.903  22.556  -5.862
 1650   HH12  ARG  48          HH12      ARG  48  -0.733  23.793  -5.542
 1651   HH21  ARG  48          HH21      ARG  48   0.942  21.973  -3.071
 1652   HH22  ARG  48          HH22      ARG  48   0.886  23.460  -3.957
  Start of MODEL    8
    1    H    ASP   1           HT1      ASP   1   5.705 -16.029  16.382
    2    HA   ASP   1           HA       ASP   1   6.313 -15.769  14.069
    3    HB2  ASP   1           HB2      ASP   1   3.409 -15.118  14.624
    4    HB3  ASP   1           HB1      ASP   1   4.040 -15.816  13.136
    5    H    GLU   2           HN       GLU   2   7.061 -14.384  12.617
    6    HA   GLU   2           HA       GLU   2   5.731 -11.968  11.923
    7    HB2  GLU   2           HB2      GLU   2   7.420 -10.364  12.634
    8    HB3  GLU   2           HB1      GLU   2   6.761 -11.209  14.027
    9    HG2  GLU   2           HG2      GLU   2   9.353 -11.953  12.697
   10    HG3  GLU   2           HG1      GLU   2   9.230 -10.852  14.068
   11    H    ASP   3           HN       ASP   3   7.351 -14.497  11.035
   12    HA   ASP   3           HA       ASP   3   9.355 -13.358   9.313
   13    HB2  ASP   3           HB2      ASP   3   9.562 -15.670   8.429
   14    HB3  ASP   3           HB1      ASP   3   9.706 -15.594  10.181
   15    H    THR   4           HN       THR   4   8.542 -15.296   7.081
   16    HA   THR   4           HA       THR   4   7.065 -13.366   5.598
   17    HB   THR   4           HB       THR   4   7.152 -16.034   4.429
   18    HG1  THR   4           HG1      THR   4   9.392 -16.112   4.236
   19   HG21  THR   4          HG21      THR   4   8.142 -13.313   3.587
   20   HG22  THR   4          HG22      THR   4   6.634 -14.090   3.097
   21   HG23  THR   4          HG23      THR   4   8.180 -14.751   2.565
   22    H    TYR   5           HN       TYR   5   5.053 -13.445   4.824
   23    HA   TYR   5           HA       TYR   5   3.192 -15.303   6.144
   24    HB2  TYR   5           HB2      TYR   5   3.022 -12.342   5.750
   25    HB3  TYR   5           HB1      TYR   5   1.606 -13.336   6.085
   26    HD1  TYR   5           HD2      TYR   5   1.575 -14.707   8.211
   27    HD2  TYR   5           HD1      TYR   5   4.443 -11.652   7.487
   28    HE1  TYR   5           HE2      TYR   5   2.056 -14.597  10.618
   29    HE2  TYR   5           HE1      TYR   5   4.932 -11.531   9.891
   30    HH   TYR   5           HH       TYR   5   4.073 -12.117  11.981
   31    H    TYR   6           HN       TYR   6   1.107 -15.542   4.839
   32    HA   TYR   6           HA       TYR   6   1.587 -14.854   2.024
   33    HB2  TYR   6           HB2      TYR   6  -0.315 -17.005   2.983
   34    HB3  TYR   6           HB1      TYR   6   0.325 -16.773   1.361
   35    HD1  TYR   6           HD1      TYR   6   3.219 -16.330   2.090
   36    HD2  TYR   6           HD2      TYR   6   0.397 -19.223   3.418
   37    HE1  TYR   6           HE1      TYR   6   5.057 -17.879   2.570
   38    HE2  TYR   6           HE2      TYR   6   2.229 -20.788   3.911
   39    HH   TYR   6           HH       TYR   6   4.551 -21.181   3.229
   40    H    LEU   7           HN       LEU   7   0.316 -13.505   1.057
   41    HA   LEU   7           HA       LEU   7  -2.101 -12.542   2.455
   42    HB2  LEU   7           HB2      LEU   7   0.189 -11.253   1.639
   43    HB3  LEU   7           HB1      LEU   7  -0.905 -10.948   0.319
   44    HG   LEU   7           HG       LEU   7  -2.104  -9.441   1.487
   45   HD11  LEU   7          HD11      LEU   7  -1.923 -11.341   3.682
   46   HD12  LEU   7          HD12      LEU   7  -3.228 -10.248   3.227
   47   HD13  LEU   7          HD13      LEU   7  -1.870  -9.650   4.188
   48   HD21  LEU   7          HD21      LEU   7  -0.661  -8.138   2.924
   49   HD22  LEU   7          HD22      LEU   7   0.226  -8.753   1.526
   50   HD23  LEU   7          HD23      LEU   7   0.422  -9.520   3.102
   51    H    GLN   8           HN       GLN   8  -3.825 -13.602   1.497
   52    HA   GLN   8           HA       GLN   8  -3.802 -14.087  -1.295
   53    HB2  GLN   8           HB2      GLN   8  -5.051 -15.247   0.780
   54    HB3  GLN   8           HB1      GLN   8  -6.345 -14.217   0.204
   55    HG2  GLN   8           HG2      GLN   8  -5.748 -15.273  -2.107
   56    HG3  GLN   8           HG1      GLN   8  -5.063 -16.546  -1.096
   57   HE21  GLN   8          HE21      GLN   8  -6.535 -18.109  -1.520
   58   HE22  GLN   8          HE22      GLN   8  -8.203 -18.017  -1.072
   59    H    VAL   9           HN       VAL   9  -4.133 -12.621  -2.772
   60    HA   VAL   9           HA       VAL   9  -5.979 -10.449  -2.132
   61    HB   VAL   9           HB       VAL   9  -3.338 -10.343  -3.555
   62   HG11  VAL   9          HG11      VAL   9  -3.921  -7.997  -4.220
   63   HG12  VAL   9          HG12      VAL   9  -5.602  -8.390  -3.856
   64   HG13  VAL   9          HG13      VAL   9  -4.746  -9.265  -5.126
   65   HG21  VAL   9          HG21      VAL   9  -2.915  -8.501  -2.051
   66   HG22  VAL   9          HG22      VAL   9  -3.459  -9.909  -1.140
   67   HG23  VAL   9          HG23      VAL   9  -4.571  -8.576  -1.451
   68    H    ARG  10           HN       ARG  10  -7.637 -10.123  -3.510
   69    HA   ARG  10           HA       ARG  10  -7.713 -11.878  -5.864
   70    HB2  ARG  10           HB2      ARG  10  -9.536 -11.944  -4.042
   71    HB3  ARG  10           HB1      ARG  10 -10.068 -10.398  -4.687
   72    HG2  ARG  10           HG2      ARG  10  -9.752 -12.728  -6.522
   73    HG3  ARG  10           HG1      ARG  10 -11.176 -12.609  -5.489
   74    HD2  ARG  10           HD2      ARG  10 -11.621 -10.365  -6.421
   75    HD3  ARG  10           HD1      ARG  10 -10.242 -10.565  -7.501
   76    HE   ARG  10           HE       ARG  10 -12.006 -12.733  -7.824
   77   HH11  ARG  10          HH11      ARG  10 -11.774  -9.321  -8.493
   78   HH12  ARG  10          HH12      ARG  10 -12.814  -9.391  -9.877
   79   HH21  ARG  10          HH21      ARG  10 -13.377 -12.834  -9.643
   80   HH22  ARG  10          HH22      ARG  10 -13.725 -11.387 -10.530
   81    H    GLY  11           HN       GLY  11  -8.033 -11.141  -7.874
   82    HA2  GLY  11           HA2      GLY  11  -8.470  -9.532  -9.544
   83    HA3  GLY  11           HA1      GLY  11  -8.530  -8.290  -8.300
   84    H    ARG  12           HN       ARG  12  -6.859  -9.201 -10.897
   85    HA   ARG  12           HA       ARG  12  -4.173  -9.210 -10.245
   86    HB2  ARG  12           HB2      ARG  12  -5.347  -9.509 -12.534
   87    HB3  ARG  12           HB1      ARG  12  -5.181  -7.765 -12.678
   88    HG2  ARG  12           HG2      ARG  12  -3.335  -8.701 -13.795
   89    HG3  ARG  12           HG1      ARG  12  -2.719  -8.083 -12.262
   90    HD2  ARG  12           HD2      ARG  12  -2.887 -10.360 -11.320
   91    HD3  ARG  12           HD1      ARG  12  -3.403 -10.948 -12.900
   92    HE   ARG  12           HE       ARG  12  -0.799  -9.620 -12.589
   93   HH11  ARG  12          HH11      ARG  12  -2.700 -12.415 -13.435
   94   HH12  ARG  12          HH12      ARG  12  -1.366 -13.272 -14.131
   95   HH21  ARG  12          HH21      ARG  12   0.963 -10.741 -13.504
   96   HH22  ARG  12          HH22      ARG  12   0.716 -12.320 -14.170
   97    H    GLU  13           HN       GLU  13  -6.149  -6.286 -10.897
   98    HA   GLU  13           HA       GLU  13  -4.119  -4.441 -10.750
   99    HB2  GLU  13           HB2      GLU  13  -6.512  -4.004 -11.357
  100    HB3  GLU  13           HB1      GLU  13  -6.896  -4.029  -9.640
  101    HG2  GLU  13           HG2      GLU  13  -6.684  -1.772 -10.178
  102    HG3  GLU  13           HG1      GLU  13  -5.168  -2.197  -9.384
  103    H    ASN  14           HN       ASN  14  -6.030  -5.750  -8.063
  104    HA   ASN  14           HA       ASN  14  -4.859  -4.197  -6.003
  105    HB2  ASN  14           HB2      ASN  14  -7.006  -5.351  -5.737
  106    HB3  ASN  14           HB1      ASN  14  -6.211  -6.909  -5.926
  107   HD21  ASN  14          HD21      ASN  14  -7.780  -6.367  -3.760
  108   HD22  ASN  14          HD22      ASN  14  -6.801  -6.271  -2.339
  109    H    PHE  15           HN       PHE  15  -4.223  -7.458  -7.221
  110    HA   PHE  15           HA       PHE  15  -2.231  -8.212  -5.440
  111    HB2  PHE  15           HB2      PHE  15  -3.365  -9.724  -7.040
  112    HB3  PHE  15           HB1      PHE  15  -2.458  -8.982  -8.353
  113    HD1  PHE  15           HD2      PHE  15  -1.340 -10.018  -4.949
  114    HD2  PHE  15           HD1      PHE  15  -1.059 -10.632  -9.159
  115    HE1  PHE  15           HE2      PHE  15   0.471 -11.622  -4.588
  116    HE2  PHE  15           HE1      PHE  15   0.781 -12.236  -8.790
  117    HZ   PHE  15           HZ       PHE  15   1.542 -12.727  -6.496
  118    H    GLU  16           HN       GLU  16  -1.920  -6.548  -8.561
  119    HA   GLU  16           HA       GLU  16   0.906  -6.377  -8.612
  120    HB2  GLU  16           HB2      GLU  16  -1.192  -4.610  -9.879
  121    HB3  GLU  16           HB1      GLU  16   0.526  -4.549 -10.249
  122    HG2  GLU  16           HG2      GLU  16  -1.268  -6.929 -10.668
  123    HG3  GLU  16           HG1      GLU  16  -0.741  -5.804 -11.920
  124    H    ILE  17           HN       ILE  17  -1.505  -4.021  -7.387
  125    HA   ILE  17           HA       ILE  17   0.429  -2.069  -6.746
  126    HB   ILE  17           HB       ILE  17  -2.405  -2.502  -6.100
  127   HG12  ILE  17          HG12      ILE  17  -0.980   0.107  -6.494
  128   HG13  ILE  17          HG11      ILE  17  -1.245  -0.970  -7.859
  129   HG21  ILE  17          HG21      ILE  17  -2.465  -0.852  -4.304
  130   HG22  ILE  17          HG22      ILE  17  -0.702  -0.762  -4.319
  131   HG23  ILE  17          HG23      ILE  17  -1.507  -2.258  -3.832
  132   HD11  ILE  17          HD11      ILE  17  -3.619  -0.817  -7.577
  133   HD12  ILE  17          HD12      ILE  17  -2.939   0.815  -7.611
  134   HD13  ILE  17          HD13      ILE  17  -3.423   0.091  -6.076
  135    H    LEU  18           HN       LEU  18  -0.902  -4.791  -4.850
  136    HA   LEU  18           HA       LEU  18   0.511  -4.058  -2.460
  137    HB2  LEU  18           HB2      LEU  18  -1.443  -6.022  -3.289
  138    HB3  LEU  18           HB1      LEU  18  -0.166  -6.750  -2.342
  139    HG   LEU  18           HG       LEU  18  -0.593  -4.966  -0.599
  140   HD11  LEU  18          HD11      LEU  18  -3.054  -4.581  -2.279
  141   HD12  LEU  18          HD12      LEU  18  -1.787  -3.391  -1.979
  142   HD13  LEU  18          HD13      LEU  18  -2.815  -3.941  -0.654
  143   HD21  LEU  18          HD21      LEU  18  -2.866  -6.848  -1.198
  144   HD22  LEU  18          HD22      LEU  18  -2.461  -6.150   0.368
  145   HD23  LEU  18          HD23      LEU  18  -1.363  -7.302  -0.395
  146    H    MET  19           HN       MET  19   1.029  -6.263  -5.174
  147    HA   MET  19           HA       MET  19   3.214  -7.649  -4.048
  148    HB2  MET  19           HB2      MET  19   1.770  -8.095  -6.249
  149    HB3  MET  19           HB1      MET  19   3.091  -7.228  -7.010
  150    HG2  MET  19           HG2      MET  19   3.208  -9.816  -5.497
  151    HG3  MET  19           HG1      MET  19   3.535  -9.532  -7.202
  152    HE1  MET  19           HE1      MET  19   5.783 -11.151  -6.428
  153    HE2  MET  19           HE2      MET  19   5.196 -11.008  -4.770
  154    HE3  MET  19           HE3      MET  19   6.870 -10.600  -5.152
  155    H    LYS  20           HN       LYS  20   3.134  -4.908  -6.305
  156    HA   LYS  20           HA       LYS  20   5.880  -4.415  -6.490
  157    HB2  LYS  20           HB2      LYS  20   3.812  -3.325  -7.673
  158    HB3  LYS  20           HB1      LYS  20   3.888  -2.190  -6.334
  159    HG2  LYS  20           HG2      LYS  20   6.273  -2.784  -8.053
  160    HG3  LYS  20           HG1      LYS  20   5.087  -1.550  -8.479
  161    HD2  LYS  20           HD2      LYS  20   5.494  -0.536  -6.209
  162    HD3  LYS  20           HD1      LYS  20   6.847  -1.656  -6.038
  163    HE2  LYS  20           HE2      LYS  20   6.531   0.345  -8.271
  164    HE3  LYS  20           HE1      LYS  20   7.528   0.583  -6.837
  165    HZ1  LYS  20           HZ1      LYS  20   7.889  -1.590  -8.830
  166    HZ2  LYS  20           HZ2      LYS  20   8.867  -1.310  -7.479
  167    HZ3  LYS  20           HZ3      LYS  20   8.824  -0.183  -8.740
  168    H    LEU  21           HN       LEU  21   3.457  -3.502  -4.158
  169    HA   LEU  21           HA       LEU  21   5.113  -1.841  -2.575
  170    HB2  LEU  21           HB2      LEU  21   2.530  -2.015  -2.745
  171    HB3  LEU  21           HB1      LEU  21   2.678  -3.346  -1.625
  172    HG   LEU  21           HG       LEU  21   3.149  -0.434  -1.153
  173   HD11  LEU  21          HD11      LEU  21   1.373  -2.578  -0.069
  174   HD12  LEU  21          HD12      LEU  21   0.945  -1.003  -0.734
  175   HD13  LEU  21          HD13      LEU  21   1.696  -1.114   0.858
  176   HD21  LEU  21          HD21      LEU  21   3.922  -1.082   1.141
  177   HD22  LEU  21          HD22      LEU  21   5.081  -1.396  -0.149
  178   HD23  LEU  21          HD23      LEU  21   4.143  -2.723   0.533
  179    H    LYS  22           HN       LYS  22   4.236  -5.249  -2.386
  180    HA   LYS  22           HA       LYS  22   5.291  -5.932   0.060
  181    HB2  LYS  22           HB2      LYS  22   4.097  -7.604  -1.061
  182    HB3  LYS  22           HB1      LYS  22   4.984  -7.371  -2.557
  183    HG2  LYS  22           HG2      LYS  22   7.003  -8.294  -1.269
  184    HG3  LYS  22           HG1      LYS  22   5.810  -8.853  -0.094
  185    HD2  LYS  22           HD2      LYS  22   4.880 -10.364  -1.552
  186    HD3  LYS  22           HD1      LYS  22   5.364  -9.446  -2.979
  187    HE2  LYS  22           HE2      LYS  22   7.153 -11.091  -1.196
  188    HE3  LYS  22           HE1      LYS  22   6.655 -11.484  -2.840
  189    HZ1  LYS  22           HZ1      LYS  22   7.868  -9.596  -3.657
  190    HZ2  LYS  22           HZ2      LYS  22   8.905 -10.540  -2.711
  191    HZ3  LYS  22           HZ3      LYS  22   8.264  -9.105  -2.087
  192    H    GLU  23           HN       GLU  23   6.863  -5.528  -3.057
  193    HA   GLU  23           HA       GLU  23   9.453  -6.325  -2.209
  194    HB2  GLU  23           HB2      GLU  23   8.555  -4.609  -4.531
  195    HB3  GLU  23           HB1      GLU  23  10.209  -5.154  -4.290
  196    HG2  GLU  23           HG2      GLU  23   9.539  -7.451  -4.529
  197    HG3  GLU  23           HG1      GLU  23   7.843  -6.983  -4.618
  198    H    SER  24           HN       SER  24   7.919  -3.108  -2.516
  199    HA   SER  24           HA       SER  24  10.172  -1.671  -1.778
  200    HB2  SER  24           HB2      SER  24   8.674   0.190  -1.266
  201    HB3  SER  24           HB1      SER  24   8.137  -0.633  -2.725
  202    HG   SER  24           HG       SER  24   7.068  -0.920  -0.113
  203    H    LEU  25           HN       LEU  25   7.562  -2.895   0.341
  204    HA   LEU  25           HA       LEU  25   8.641  -1.870   2.769
  205    HB2  LEU  25           HB2      LEU  25   6.616  -3.923   2.036
  206    HB3  LEU  25           HB1      LEU  25   7.254  -3.932   3.667
  207    HG   LEU  25           HG       LEU  25   6.014  -1.477   2.432
  208   HD11  LEU  25          HD11      LEU  25   4.672  -3.504   4.212
  209   HD12  LEU  25          HD12      LEU  25   4.425  -3.379   2.471
  210   HD13  LEU  25          HD13      LEU  25   3.956  -2.045   3.523
  211   HD21  LEU  25          HD21      LEU  25   7.516  -1.277   4.451
  212   HD22  LEU  25          HD22      LEU  25   6.321  -2.238   5.327
  213   HD23  LEU  25          HD23      LEU  25   5.871  -0.670   4.654
  214    H    GLU  26           HN       GLU  26   8.968  -5.027   1.187
  215    HA   GLU  26           HA       GLU  26  10.536  -6.190   3.241
  216    HB2  GLU  26           HB2      GLU  26  10.079  -6.867   0.353
  217    HB3  GLU  26           HB1      GLU  26  11.249  -7.760   1.316
  218    HG2  GLU  26           HG2      GLU  26   9.369  -8.168   2.964
  219    HG3  GLU  26           HG1      GLU  26   8.282  -7.558   1.717
  220    H    LEU  27           HN       LEU  27  11.380  -4.541   0.228
  221    HA   LEU  27           HA       LEU  27  14.200  -4.861   0.443
  222    HB2  LEU  27           HB2      LEU  27  12.417  -3.008  -1.099
  223    HB3  LEU  27           HB1      LEU  27  14.161  -2.828  -1.123
  224    HG   LEU  27           HG       LEU  27  12.798  -5.408  -1.876
  225   HD11  LEU  27          HD11      LEU  27  12.026  -3.572  -3.334
  226   HD12  LEU  27          HD12      LEU  27  12.992  -4.774  -4.186
  227   HD13  LEU  27          HD13      LEU  27  13.706  -3.224  -3.739
  228   HD21  LEU  27          HD21      LEU  27  15.551  -4.295  -2.393
  229   HD22  LEU  27          HD22      LEU  27  14.930  -5.815  -3.038
  230   HD23  LEU  27          HD23      LEU  27  15.137  -5.615  -1.298
  231    H    MET  28           HN       MET  28  11.992  -2.414   1.774
  232    HA   MET  28           HA       MET  28  13.930  -0.572   2.347
  233    HB2  MET  28           HB2      MET  28  11.461  -0.248   2.727
  234    HB3  MET  28           HB1      MET  28  11.613  -1.197   4.201
  235    HG2  MET  28           HG2      MET  28  13.439   0.553   4.802
  236    HG3  MET  28           HG1      MET  28  12.623   1.533   3.595
  237    HE1  MET  28           HE1      MET  28   9.382   2.592   5.130
  238    HE2  MET  28           HE2      MET  28   9.592   1.387   3.865
  239    HE3  MET  28           HE3      MET  28  10.621   2.814   3.894
  240    H    GLU  29           HN       GLU  29  13.789  -3.728   3.589
  241    HA   GLU  29           HA       GLU  29  15.217  -3.084   6.043
  242    HB2  GLU  29           HB2      GLU  29  14.777  -5.225   6.725
  243    HB3  GLU  29           HB1      GLU  29  13.408  -4.939   5.663
  244    HG2  GLU  29           HG2      GLU  29  14.653  -6.096   3.848
  245    HG3  GLU  29           HG1      GLU  29  15.908  -6.485   5.022
  246    H    LEU  30           HN       LEU  30  15.901  -4.036   2.783
  247    HA   LEU  30           HA       LEU  30  18.527  -5.069   3.487
  248    HB2  LEU  30           HB2      LEU  30  18.435  -6.227   1.587
  249    HB3  LEU  30           HB1      LEU  30  16.744  -5.784   1.562
  250    HG   LEU  30           HG       LEU  30  18.918  -4.281   0.121
  251   HD11  LEU  30          HD11      LEU  30  18.616  -6.550  -0.765
  252   HD12  LEU  30          HD12      LEU  30  18.060  -5.323  -1.904
  253   HD13  LEU  30          HD13      LEU  30  16.890  -6.239  -0.949
  254   HD21  LEU  30          HD21      LEU  30  16.964  -3.333  -1.122
  255   HD22  LEU  30          HD22      LEU  30  17.101  -2.817   0.557
  256   HD23  LEU  30          HD23      LEU  30  15.927  -4.052   0.105
  257    H    VAL  31           HN       VAL  31  17.311  -2.121   3.258
  258    HA   VAL  31           HA       VAL  31  19.620  -0.986   1.844
  259    HB   VAL  31           HB       VAL  31  17.620   0.021   1.055
  260   HG11  VAL  31          HG11      VAL  31  16.870   0.477   3.936
  261   HG12  VAL  31          HG12      VAL  31  16.098  -0.637   2.807
  262   HG13  VAL  31          HG13      VAL  31  15.987   1.104   2.544
  263   HG21  VAL  31          HG21      VAL  31  19.184   1.713   1.179
  264   HG22  VAL  31          HG22      VAL  31  19.216   1.701   2.941
  265   HG23  VAL  31          HG23      VAL  31  17.841   2.398   2.093
  266    HA   PRO  32           HA       PRO  32  21.824  -0.539   5.674
  267    HB2  PRO  32           HB2      PRO  32  22.594   2.010   4.279
  268    HB3  PRO  32           HB1      PRO  32  23.612   0.886   5.189
  269    HG2  PRO  32           HG2      PRO  32  23.543   0.833   2.515
  270    HG3  PRO  32           HG1      PRO  32  23.687  -0.655   3.467
  271    HD2  PRO  32           HD2      PRO  32  21.395   0.361   1.907
  272    HD3  PRO  32           HD1      PRO  32  21.770  -1.300   2.410
  273    H    GLN  33           HN       GLN  33  21.041   0.198   7.546
  274    HA   GLN  33           HA       GLN  33  18.819   1.772   7.869
  275    HB2  GLN  33           HB2      GLN  33  19.570   0.378   9.655
  276    HB3  GLN  33           HB1      GLN  33  21.093   1.248   9.776
  277    HG2  GLN  33           HG2      GLN  33  19.696   1.901  11.596
  278    HG3  GLN  33           HG1      GLN  33  19.835   3.259  10.479
  279   HE21  GLN  33          HE21      GLN  33  17.944   4.204  11.221
  280   HE22  GLN  33          HE22      GLN  33  16.384   3.562  10.852
  281    HA   PRO  34           HA       PRO  34  21.713   5.602   8.948
  282    HB2  PRO  34           HB2      PRO  34  23.980   5.614   7.346
  283    HB3  PRO  34           HB1      PRO  34  23.941   5.198   9.062
  284    HG2  PRO  34           HG2      PRO  34  23.945   3.406   6.675
  285    HG3  PRO  34           HG1      PRO  34  24.774   3.209   8.230
  286    HD2  PRO  34           HD2      PRO  34  22.548   1.841   7.658
  287    HD3  PRO  34           HD1      PRO  34  22.856   2.452   9.296
  288    H    LEU  35           HN       LEU  35  21.452   4.077   5.801
  289    HA   LEU  35           HA       LEU  35  21.445   6.550   4.337
  290    HB2  LEU  35           HB2      LEU  35  22.330   4.472   3.377
  291    HB3  LEU  35           HB1      LEU  35  20.758   3.717   3.535
  292    HG   LEU  35           HG       LEU  35  19.843   5.251   1.881
  293   HD11  LEU  35          HD11      LEU  35  22.641   6.336   1.713
  294   HD12  LEU  35          HD12      LEU  35  21.203   7.201   2.257
  295   HD13  LEU  35          HD13      LEU  35  21.344   6.695   0.573
  296   HD21  LEU  35          HD21      LEU  35  21.005   4.369  -0.070
  297   HD22  LEU  35          HD22      LEU  35  20.775   3.121   1.155
  298   HD23  LEU  35          HD23      LEU  35  22.354   3.879   0.955
  299    H    VAL  36           HN       VAL  36  19.100   4.366   5.728
  300    HA   VAL  36           HA       VAL  36  16.806   5.545   4.431
  301    HB   VAL  36           HB       VAL  36  17.003   3.797   6.899
  302   HG11  VAL  36          HG11      VAL  36  15.028   5.157   7.096
  303   HG12  VAL  36          HG12      VAL  36  14.548   3.521   6.647
  304   HG13  VAL  36          HG13      VAL  36  14.566   4.799   5.433
  305   HG21  VAL  36          HG21      VAL  36  17.609   2.698   4.783
  306   HG22  VAL  36          HG22      VAL  36  16.044   3.160   4.109
  307   HG23  VAL  36          HG23      VAL  36  16.124   2.040   5.470
  308    H    ASP  37           HN       ASP  37  18.517   5.991   7.479
  309    HA   ASP  37           HA       ASP  37  16.694   7.748   8.680
  310    HB2  ASP  37           HB2      ASP  37  18.644   6.749   9.854
  311    HB3  ASP  37           HB1      ASP  37  19.718   7.772   8.903
  312    H    SER  38           HN       SER  38  19.433   8.345   6.459
  313    HA   SER  38           HA       SER  38  19.261  11.128   6.412
  314    HB2  SER  38           HB2      SER  38  21.138   9.895   5.428
  315    HB3  SER  38           HB1      SER  38  20.074   9.254   4.176
  316    HG   SER  38           HG       SER  38  21.384  11.187   3.651
  317    H    TYR  39           HN       TYR  39  17.590   8.727   4.383
  318    HA   TYR  39           HA       TYR  39  16.254  10.543   2.718
  319    HB2  TYR  39           HB2      TYR  39  16.159   8.353   1.954
  320    HB3  TYR  39           HB1      TYR  39  15.770   7.705   3.544
  321    HD1  TYR  39           HD2      TYR  39  14.365   9.607   0.685
  322    HD2  TYR  39           HD1      TYR  39  13.536   7.336   4.185
  323    HE1  TYR  39           HE2      TYR  39  11.987   9.549   0.078
  324    HE2  TYR  39           HE1      TYR  39  11.159   7.274   3.591
  325    HH   TYR  39           HH       TYR  39   9.561   8.498   2.252
  326    H    ARG  40           HN       ARG  40  15.308   9.071   5.790
  327    HA   ARG  40           HA       ARG  40  12.725  10.063   6.004
  328    HB2  ARG  40           HB2      ARG  40  14.249   8.495   7.555
  329    HB3  ARG  40           HB1      ARG  40  14.392   9.990   8.468
  330    HG2  ARG  40           HG2      ARG  40  12.037  10.100   8.801
  331    HG3  ARG  40           HG1      ARG  40  11.763   8.765   7.680
  332    HD2  ARG  40           HD2      ARG  40  13.105   7.315   9.217
  333    HD3  ARG  40           HD1      ARG  40  13.119   8.652  10.367
  334    HE   ARG  40           HE       ARG  40  10.494   7.844   9.473
  335   HH11  ARG  40          HH11      ARG  40  13.005   7.415  11.852
  336   HH12  ARG  40          HH12      ARG  40  11.935   6.774  13.052
  337   HH21  ARG  40          HH21      ARG  40   9.079   6.999  11.049
  338   HH22  ARG  40          HH22      ARG  40   9.705   6.536  12.596
  339    H    GLN  41           HN       GLN  41  15.798  11.616   6.634
  340    HA   GLN  41           HA       GLN  41  14.810  13.958   7.889
  341    HB2  GLN  41           HB2      GLN  41  17.201  13.219   7.861
  342    HB3  GLN  41           HB1      GLN  41  17.277  13.698   6.171
  343    HG2  GLN  41           HG2      GLN  41  18.198  15.457   7.459
  344    HG3  GLN  41           HG1      GLN  41  16.626  15.990   6.867
  345   HE21  GLN  41          HE21      GLN  41  16.416  17.531   8.480
  346   HE22  GLN  41          HE22      GLN  41  16.080  17.109  10.121
  347    H    GLN  42           HN       GLN  42  15.670  13.289   4.496
  348    HA   GLN  42           HA       GLN  42  14.877  15.795   3.492
  349    HB2  GLN  42           HB2      GLN  42  16.302  14.210   2.247
  350    HB3  GLN  42           HB1      GLN  42  14.930  13.126   2.068
  351    HG2  GLN  42           HG2      GLN  42  13.761  14.786   0.740
  352    HG3  GLN  42           HG1      GLN  42  15.095  15.919   0.958
  353   HE21  GLN  42          HE21      GLN  42  13.953  14.783  -1.486
  354   HE22  GLN  42          HE22      GLN  42  15.262  14.008  -2.304
  355    H    GLN  43           HN       GLN  43  13.095  12.975   4.385
  356    HA   GLN  43           HA       GLN  43  10.700  13.640   2.951
  357    HB2  GLN  43           HB2      GLN  43  10.842  11.364   3.341
  358    HB3  GLN  43           HB1      GLN  43  11.503  11.574   4.955
  359    HG2  GLN  43           HG2      GLN  43   8.708  12.447   4.464
  360    HG3  GLN  43           HG1      GLN  43   9.045  10.719   4.552
  361   HE21  GLN  43          HE21      GLN  43   7.500  12.409   6.356
  362   HE22  GLN  43          HE22      GLN  43   8.228  12.243   7.913
  363    H    GLN  44           HN       GLN  44  11.832  13.960   6.288
  364    HA   GLN  44           HA       GLN  44   9.440  15.002   7.355
  365    HB2  GLN  44           HB2      GLN  44  11.334  14.087   8.702
  366    HB3  GLN  44           HB1      GLN  44  12.264  15.524   8.302
  367    HG2  GLN  44           HG2      GLN  44  11.470  16.173  10.315
  368    HG3  GLN  44           HG1      GLN  44  10.135  16.732   9.309
  369   HE21  GLN  44          HE21      GLN  44   9.222  13.956   8.833
  370   HE22  GLN  44          HE22      GLN  44   8.429  13.481  10.290
  371    H    LEU  45           HN       LEU  45  11.928  16.374   5.419
  372    HA   LEU  45           HA       LEU  45  11.776  19.074   6.057
  373    HB2  LEU  45           HB2      LEU  45  13.458  18.259   4.549
  374    HB3  LEU  45           HB1      LEU  45  12.244  17.711   3.409
  375    HG   LEU  45           HG       LEU  45  11.681  20.386   3.572
  376   HD11  LEU  45          HD11      LEU  45  13.820  21.557   3.337
  377   HD12  LEU  45          HD12      LEU  45  14.672  20.067   3.744
  378   HD13  LEU  45          HD13      LEU  45  13.629  20.841   4.938
  379   HD21  LEU  45          HD21      LEU  45  11.767  19.136   1.521
  380   HD22  LEU  45          HD22      LEU  45  13.511  18.929   1.672
  381   HD23  LEU  45          HD23      LEU  45  12.835  20.531   1.381
  382    H    LEU  46           HN       LEU  46   9.839  17.240   3.697
  383    HA   LEU  46           HA       LEU  46   8.032  19.545   3.501
  384    HB2  LEU  46           HB2      LEU  46   8.289  17.174   1.657
  385    HB3  LEU  46           HB1      LEU  46   7.239  18.558   1.414
  386    HG   LEU  46           HG       LEU  46   9.971  19.406   1.783
  387   HD11  LEU  46          HD11      LEU  46  10.947  17.613   0.811
  388   HD12  LEU  46          HD12      LEU  46  10.465  18.457  -0.660
  389   HD13  LEU  46          HD13      LEU  46   9.482  17.132  -0.040
  390   HD21  LEU  46          HD21      LEU  46   8.359  20.860   0.822
  391   HD22  LEU  46          HD22      LEU  46   7.923  19.673  -0.406
  392   HD23  LEU  46          HD23      LEU  46   9.506  20.448  -0.453
  393    H    GLN  47           HN       GLN  47   7.421  16.093   2.920
  394    HA   GLN  47           HA       GLN  47   5.742  14.723   3.618
  395    HB2  GLN  47           HB2      GLN  47   6.968  15.557   5.861
  396    HB3  GLN  47           HB1      GLN  47   5.365  16.211   6.161
  397    HG2  GLN  47           HG2      GLN  47   5.934  13.333   5.508
  398    HG3  GLN  47           HG1      GLN  47   5.745  13.971   7.140
  399   HE21  GLN  47          HE21      GLN  47   4.151  13.160   4.167
  400   HE22  GLN  47          HE22      GLN  47   2.534  13.258   4.768
  401    H    ARG  48           HN       ARG  48   5.105  17.148   2.163
  402    HA   ARG  48           HA       ARG  48   2.271  17.304   2.852
  403    HB2  ARG  48           HB2      ARG  48   4.068  19.695   2.448
  404    HB3  ARG  48           HB1      ARG  48   2.313  19.779   2.416
  405    HG2  ARG  48           HG2      ARG  48   2.205  19.038   4.711
  406    HG3  ARG  48           HG1      ARG  48   3.960  18.852   4.754
  407    HD2  ARG  48           HD2      ARG  48   3.242  20.948   5.805
  408    HD3  ARG  48           HD1      ARG  48   4.242  21.237   4.382
  409    HE   ARG  48           HE       ARG  48   1.447  21.243   3.780
  410   HH11  ARG  48          HH11      ARG  48   4.074  23.175   5.012
  411   HH12  ARG  48          HH12      ARG  48   3.342  24.681   4.570
  412   HH21  ARG  48          HH21      ARG  48   0.479  23.220   3.196
  413   HH22  ARG  48          HH22      ARG  48   1.298  24.707   3.538
  414    H    ASP   1           HT1      ASP   1  -5.680 -16.033 -16.395
  415    HA   ASP   1           HA       ASP   1  -6.288 -15.775 -14.081
  416    HB2  ASP   1           HB2      ASP   1  -3.384 -15.117 -14.636
  417    HB3  ASP   1           HB1      ASP   1  -4.015 -15.819 -13.148
  418    H    GLU   2           HN       GLU   2  -7.036 -14.393 -12.626
  419    HA   GLU   2           HA       GLU   2  -5.712 -11.974 -11.931
  420    HB2  GLU   2           HB2      GLU   2  -7.406 -10.374 -12.640
  421    HB3  GLU   2           HB1      GLU   2  -6.745 -11.217 -14.034
  422    HG2  GLU   2           HG2      GLU   2  -9.335 -11.969 -12.704
  423    HG3  GLU   2           HG1      GLU   2  -9.215 -10.866 -14.074
  424    H    ASP   3           HN       ASP   3  -7.326 -14.508 -11.045
  425    HA   ASP   3           HA       ASP   3  -9.331 -13.374  -9.322
  426    HB2  ASP   3           HB2      ASP   3  -9.534 -15.687  -8.439
  427    HB3  ASP   3           HB1      ASP   3  -9.679 -15.610 -10.191
  428    H    THR   4           HN       THR   4  -8.514 -15.311  -7.092
  429    HA   THR   4           HA       THR   4  -7.041 -13.380  -5.607
  430    HB   THR   4           HB       THR   4  -7.121 -16.048  -4.441
  431    HG1  THR   4           HG1      THR   4  -9.359 -16.133  -4.247
  432   HG21  THR   4          HG21      THR   4  -8.116 -13.329  -3.597
  433   HG22  THR   4          HG22      THR   4  -6.607 -14.104  -3.107
  434   HG23  THR   4          HG23      THR   4  -8.151 -14.767  -2.576
  435    H    TYR   5           HN       TYR   5  -5.029 -13.454  -4.835
  436    HA   TYR   5           HA       TYR   5  -3.164 -15.307  -6.156
  437    HB2  TYR   5           HB2      TYR   5  -3.000 -12.346  -5.761
  438    HB3  TYR   5           HB1      TYR   5  -1.582 -13.337  -6.097
  439    HD1  TYR   5           HD2      TYR   5  -1.549 -14.708  -8.224
  440    HD2  TYR   5           HD1      TYR   5  -4.423 -11.658  -7.497
  441    HE1  TYR   5           HE2      TYR   5  -2.030 -14.596 -10.630
  442    HE2  TYR   5           HE1      TYR   5  -4.911 -11.536  -9.901
  443    HH   TYR   5           HH       TYR   5  -4.054 -12.118 -11.991
  444    H    TYR   6           HN       TYR   6  -1.077 -15.542  -4.852
  445    HA   TYR   6           HA       TYR   6  -1.556 -14.857  -2.037
  446    HB2  TYR   6           HB2      TYR   6   0.348 -17.003  -2.996
  447    HB3  TYR   6           HB1      TYR   6  -0.292 -16.773  -1.374
  448    HD1  TYR   6           HD1      TYR   6  -3.186 -16.337  -2.102
  449    HD2  TYR   6           HD2      TYR   6  -0.357 -19.221  -3.434
  450    HE1  TYR   6           HE1      TYR   6  -5.020 -17.891  -2.582
  451    HE2  TYR   6           HE2      TYR   6  -2.184 -20.791  -3.927
  452    HH   TYR   6           HH       TYR   6  -4.508 -21.190  -3.242
  453    H    LEU   7           HN       LEU   7  -0.289 -13.505  -1.070
  454    HA   LEU   7           HA       LEU   7   2.126 -12.537  -2.468
  455    HB2  LEU   7           HB2      LEU   7  -0.167 -11.253  -1.650
  456    HB3  LEU   7           HB1      LEU   7   0.927 -10.947  -0.330
  457    HG   LEU   7           HG       LEU   7   2.122  -9.437  -1.497
  458   HD11  LEU   7          HD11      LEU   7   1.946 -11.335  -3.692
  459   HD12  LEU   7          HD12      LEU   7   3.247 -10.237  -3.239
  460   HD13  LEU   7          HD13      LEU   7   1.886  -9.645  -4.198
  461   HD21  LEU   7          HD21      LEU   7   0.677  -8.135  -2.932
  462   HD22  LEU   7          HD22      LEU   7  -0.208  -8.753  -1.534
  463   HD23  LEU   7          HD23      LEU   7  -0.404  -9.518  -3.111
  464    H    GLN   8           HN       GLN   8   3.853 -13.593  -1.510
  465    HA   GLN   8           HA       GLN   8   3.831 -14.080   1.282
  466    HB2  GLN   8           HB2      GLN   8   5.081 -15.237  -0.794
  467    HB3  GLN   8           HB1      GLN   8   6.374 -14.204  -0.220
  468    HG2  GLN   8           HG2      GLN   8   5.779 -15.262   2.092
  469    HG3  GLN   8           HG1      GLN   8   5.098 -16.537   1.081
  470   HE21  GLN   8          HE21      GLN   8   6.578 -18.095   1.508
  471   HE22  GLN   8          HE22      GLN   8   8.246 -17.996   1.057
  472    H    VAL   9           HN       VAL   9   4.159 -12.614   2.758
  473    HA   VAL   9           HA       VAL   9   5.999 -10.437   2.119
  474    HB   VAL   9           HB       VAL   9   3.359 -10.338   3.543
  475   HG11  VAL   9          HG11      VAL   9   3.937  -7.992   4.210
  476   HG12  VAL   9          HG12      VAL   9   5.619  -8.379   3.846
  477   HG13  VAL   9          HG13      VAL   9   4.765  -9.258   5.114
  478   HG21  VAL   9          HG21      VAL   9   2.931  -8.496   2.041
  479   HG22  VAL   9          HG22      VAL   9   3.479  -9.902   1.128
  480   HG23  VAL   9          HG23      VAL   9   4.588  -8.567   1.440
  481    H    ARG  10           HN       ARG  10   7.658 -10.108   3.496
  482    HA   ARG  10           HA       ARG  10   7.739 -11.864   5.850
  483    HB2  ARG  10           HB2      ARG  10   9.561 -11.926   4.027
  484    HB3  ARG  10           HB1      ARG  10  10.090 -10.379   4.671
  485    HG2  ARG  10           HG2      ARG  10   9.780 -12.710   6.506
  486    HG3  ARG  10           HG1      ARG  10  11.203 -12.587   5.472
  487    HD2  ARG  10           HD2      ARG  10  11.643 -10.343   6.405
  488    HD3  ARG  10           HD1      ARG  10  10.266 -10.546   7.486
  489    HE   ARG  10           HE       ARG  10  12.034 -12.710   7.806
  490   HH11  ARG  10          HH11      ARG  10  11.796  -9.299   8.479
  491   HH12  ARG  10          HH12      ARG  10  12.836  -9.368   9.861
  492   HH21  ARG  10          HH21      ARG  10  13.405 -12.810   9.624
  493   HH22  ARG  10          HH22      ARG  10  13.751 -11.364  10.512
  494    H    GLY  11           HN       GLY  11   8.057 -11.127   7.860
  495    HA2  GLY  11           HA2      GLY  11   8.492  -9.517   9.530
  496    HA3  GLY  11           HA1      GLY  11   8.549  -8.275   8.287
  497    H    ARG  12           HN       ARG  12   6.882  -9.191  10.884
  498    HA   ARG  12           HA       ARG  12   4.196  -9.207  10.234
  499    HB2  ARG  12           HB2      ARG  12   5.370  -9.506  12.522
  500    HB3  ARG  12           HB1      ARG  12   5.202  -7.761  12.667
  501    HG2  ARG  12           HG2      ARG  12   3.357  -8.701  13.784
  502    HG3  ARG  12           HG1      ARG  12   2.739  -8.084  12.251
  503    HD2  ARG  12           HD2      ARG  12   2.911 -10.360  11.308
  504    HD3  ARG  12           HD1      ARG  12   3.429 -10.949  12.887
  505    HE   ARG  12           HE       ARG  12   0.823  -9.625  12.581
  506   HH11  ARG  12          HH11      ARG  12   2.731 -12.418  13.422
  507   HH12  ARG  12          HH12      ARG  12   1.398 -13.279  14.116
  508   HH21  ARG  12          HH21      ARG  12  -0.936 -10.751  13.494
  509   HH22  ARG  12          HH22      ARG  12  -0.686 -12.331  14.158
  510    H    GLU  13           HN       GLU  13   6.165  -6.279  10.885
  511    HA   GLU  13           HA       GLU  13   4.130  -4.439  10.741
  512    HB2  GLU  13           HB2      GLU  13   6.522  -3.996  11.347
  513    HB3  GLU  13           HB1      GLU  13   6.906  -4.019   9.630
  514    HG2  GLU  13           HG2      GLU  13   6.688  -1.763  10.168
  515    HG3  GLU  13           HG1      GLU  13   5.173  -2.191   9.375
  516    H    ASN  14           HN       ASN  14   6.044  -5.741   8.053
  517    HA   ASN  14           HA       ASN  14   4.869  -4.191   5.994
  518    HB2  ASN  14           HB2      ASN  14   7.017  -5.341   5.726
  519    HB3  ASN  14           HB1      ASN  14   6.225  -6.900   5.915
  520   HD21  ASN  14          HD21      ASN  14   7.792  -6.353   3.748
  521   HD22  ASN  14          HD22      ASN  14   6.813  -6.257   2.328
  522    H    PHE  15           HN       PHE  15   4.239  -7.452   7.211
  523    HA   PHE  15           HA       PHE  15   2.248  -8.211   5.429
  524    HB2  PHE  15           HB2      PHE  15   3.387  -9.719   7.029
  525    HB3  PHE  15           HB1      PHE  15   2.478  -8.980   8.343
  526    HD1  PHE  15           HD2      PHE  15   1.362 -10.018   4.937
  527    HD2  PHE  15           HD1      PHE  15   1.084 -10.634   9.148
  528    HE1  PHE  15           HE2      PHE  15  -0.446 -11.625   4.577
  529    HE2  PHE  15           HE1      PHE  15  -0.753 -12.243   8.779
  530    HZ   PHE  15           HZ       PHE  15  -1.514 -12.733   6.484
  531    H    GLU  16           HN       GLU  16   1.935  -6.548   8.551
  532    HA   GLU  16           HA       GLU  16  -0.891  -6.384   8.604
  533    HB2  GLU  16           HB2      GLU  16   1.203  -4.613   9.872
  534    HB3  GLU  16           HB1      GLU  16  -0.515  -4.557  10.243
  535    HG2  GLU  16           HG2      GLU  16   1.285  -6.933  10.658
  536    HG3  GLU  16           HG1      GLU  16   0.757  -5.811  11.911
  537    H    ILE  17           HN       ILE  17   1.513  -4.021   7.380
  538    HA   ILE  17           HA       ILE  17  -0.425  -2.074   6.740
  539    HB   ILE  17           HB       ILE  17   2.409  -2.500   6.093
  540   HG12  ILE  17          HG12      ILE  17   0.978   0.106   6.488
  541   HG13  ILE  17          HG11      ILE  17   1.246  -0.971   7.852
  542   HG21  ILE  17          HG21      ILE  17   2.464  -0.849   4.298
  543   HG22  ILE  17          HG22      ILE  17   0.702  -0.763   4.314
  544   HG23  ILE  17          HG23      ILE  17   1.509  -2.256   3.825
  545   HD11  ILE  17          HD11      ILE  17   3.619  -0.813   7.571
  546   HD12  ILE  17          HD12      ILE  17   2.936   0.818   7.606
  547   HD13  ILE  17          HD13      ILE  17   3.422   0.095   6.071
  548    H    LEU  18           HN       LEU  18   0.910  -4.791   4.843
  549    HA   LEU  18           HA       LEU  18  -0.506  -4.062   2.455
  550    HB2  LEU  18           HB2      LEU  18   1.454  -6.022   3.281
  551    HB3  LEU  18           HB1      LEU  18   0.178  -6.752   2.335
  552    HG   LEU  18           HG       LEU  18   0.601  -4.966   0.592
  553   HD11  LEU  18          HD11      LEU  18   3.061  -4.576   2.271
  554   HD12  LEU  18          HD12      LEU  18   1.792  -3.389   1.971
  555   HD13  LEU  18          HD13      LEU  18   2.820  -3.937   0.646
  556   HD21  LEU  18          HD21      LEU  18   2.879  -6.842   1.189
  557   HD22  LEU  18          HD22      LEU  18   2.470  -6.145  -0.377
  558   HD23  LEU  18          HD23      LEU  18   1.377  -7.300   0.387
  559    H    MET  19           HN       MET  19  -1.017  -6.269   5.167
  560    HA   MET  19           HA       MET  19  -3.198  -7.659   4.041
  561    HB2  MET  19           HB2      MET  19  -1.752  -8.103   6.239
  562    HB3  MET  19           HB1      MET  19  -3.074  -7.239   7.003
  563    HG2  MET  19           HG2      MET  19  -3.187  -9.827   5.489
  564    HG3  MET  19           HG1      MET  19  -3.515  -9.544   7.194
  565    HE1  MET  19           HE1      MET  19  -5.758 -11.167   6.419
  566    HE2  MET  19           HE2      MET  19  -5.172 -11.023   4.761
  567    HE3  MET  19           HE3      MET  19  -6.847 -10.619   5.144
  568    H    LYS  20           HN       LYS  20  -3.123  -4.920   6.299
  569    HA   LYS  20           HA       LYS  20  -5.870  -4.433   6.486
  570    HB2  LYS  20           HB2      LYS  20  -3.806  -3.340   7.670
  571    HB3  LYS  20           HB1      LYS  20  -3.884  -2.204   6.332
  572    HG2  LYS  20           HG2      LYS  20  -6.268  -2.804   8.051
  573    HG3  LYS  20           HG1      LYS  20  -5.084  -1.567   8.476
  574    HD2  LYS  20           HD2      LYS  20  -5.494  -0.554   6.206
  575    HD3  LYS  20           HD1      LYS  20  -6.845  -1.677   6.036
  576    HE2  LYS  20           HE2      LYS  20  -6.531   0.323   8.269
  577    HE3  LYS  20           HE1      LYS  20  -7.530   0.561   6.837
  578    HZ1  LYS  20           HZ1      LYS  20  -7.884  -1.614   8.829
  579    HZ2  LYS  20           HZ2      LYS  20  -8.863  -1.335   7.478
  580    HZ3  LYS  20           HZ3      LYS  20  -8.823  -0.209   8.739
  581    H    LEU  21           HN       LEU  21  -3.451  -3.512   4.154
  582    HA   LEU  21           HA       LEU  21  -5.112  -1.855   2.571
  583    HB2  LEU  21           HB2      LEU  21  -2.527  -2.025   2.740
  584    HB3  LEU  21           HB1      LEU  21  -2.674  -3.355   1.619
  585    HG   LEU  21           HG       LEU  21  -3.150  -0.444   1.150
  586   HD11  LEU  21          HD11      LEU  21  -1.370  -2.582   0.063
  587   HD12  LEU  21          HD12      LEU  21  -0.946  -1.006   0.729
  588   HD13  LEU  21          HD13      LEU  21  -1.697  -1.118  -0.863
  589   HD21  LEU  21          HD21      LEU  21  -3.923  -1.090  -1.144
  590   HD22  LEU  21          HD22      LEU  21  -5.081  -1.407   0.146
  591   HD23  LEU  21          HD23      LEU  21  -4.141  -2.732  -0.538
  592    H    LYS  22           HN       LYS  22  -4.226  -5.261   2.381
  593    HA   LYS  22           HA       LYS  22  -5.281  -5.945  -0.066
  594    HB2  LYS  22           HB2      LYS  22  -4.083  -7.616   1.054
  595    HB3  LYS  22           HB1      LYS  22  -4.970  -7.385   2.551
  596    HG2  LYS  22           HG2      LYS  22  -6.988  -8.313   1.263
  597    HG3  LYS  22           HG1      LYS  22  -5.793  -8.868   0.088
  598    HD2  LYS  22           HD2      LYS  22  -4.859 -10.377   1.543
  599    HD3  LYS  22           HD1      LYS  22  -5.345  -9.461   2.971
  600    HE2  LYS  22           HE2      LYS  22  -7.131 -11.110   1.189
  601    HE3  LYS  22           HE1      LYS  22  -6.631 -11.502   2.833
  602    HZ1  LYS  22           HZ1      LYS  22  -7.848  -9.618   3.651
  603    HZ2  LYS  22           HZ2      LYS  22  -8.884 -10.563   2.705
  604    HZ3  LYS  22           HZ3      LYS  22  -8.245  -9.126   2.081
  605    H    GLU  23           HN       GLU  23  -6.852  -5.547   3.053
  606    HA   GLU  23           HA       GLU  23  -9.441  -6.349   2.206
  607    HB2  GLU  23           HB2      GLU  23  -8.546  -4.631   4.528
  608    HB3  GLU  23           HB1      GLU  23 -10.198  -5.182   4.288
  609    HG2  GLU  23           HG2      GLU  23  -9.519  -7.477   4.524
  610    HG3  GLU  23           HG1      GLU  23  -7.825  -7.002   4.614
  611    H    SER  24           HN       SER  24  -7.916  -3.128   2.515
  612    HA   SER  24           HA       SER  24 -10.171  -1.695   1.777
  613    HB2  SER  24           HB2      SER  24  -8.676   0.169   1.267
  614    HB3  SER  24           HB1      SER  24  -8.135  -0.655   2.724
  615    HG   SER  24           HG       SER  24  -7.070  -0.938   0.111
  616    H    LEU  25           HN       LEU  25  -7.560  -2.913  -0.344
  617    HA   LEU  25           HA       LEU  25  -8.642  -1.889  -2.771
  618    HB2  LEU  25           HB2      LEU  25  -6.612  -3.937  -2.039
  619    HB3  LEU  25           HB1      LEU  25  -7.251  -3.947  -3.670
  620    HG   LEU  25           HG       LEU  25  -6.016  -1.490  -2.434
  621   HD11  LEU  25          HD11      LEU  25  -4.671  -3.513  -4.216
  622   HD12  LEU  25          HD12      LEU  25  -4.423  -3.389  -2.475
  623   HD13  LEU  25          HD13      LEU  25  -3.957  -2.053  -3.527
  624   HD21  LEU  25          HD21      LEU  25  -7.519  -1.292  -4.452
  625   HD22  LEU  25          HD22      LEU  25  -6.321  -2.250  -5.330
  626   HD23  LEU  25          HD23      LEU  25  -5.876  -0.681  -4.655
  627    H    GLU  26           HN       GLU  26  -8.962  -5.048  -1.190
  628    HA   GLU  26           HA       GLU  26 -10.527  -6.213  -3.245
  629    HB2  GLU  26           HB2      GLU  26 -10.068  -6.891  -0.357
  630    HB3  GLU  26           HB1      GLU  26 -11.235  -7.787  -1.320
  631    HG2  GLU  26           HG2      GLU  26  -9.355  -8.188  -2.969
  632    HG3  GLU  26           HG1      GLU  26  -8.270  -7.577  -1.721
  633    H    LEU  27           HN       LEU  27 -11.373  -4.568  -0.230
  634    HA   LEU  27           HA       LEU  27 -14.193  -4.894  -0.444
  635    HB2  LEU  27           HB2      LEU  27 -12.413  -3.039   1.099
  636    HB3  LEU  27           HB1      LEU  27 -14.158  -2.862   1.124
  637    HG   LEU  27           HG       LEU  27 -12.787  -5.440   1.874
  638   HD11  LEU  27          HD11      LEU  27 -12.019  -3.604   3.333
  639   HD12  LEU  27          HD12      LEU  27 -12.981  -4.809   4.184
  640   HD13  LEU  27          HD13      LEU  27 -13.700  -3.261   3.740
  641   HD21  LEU  27          HD21      LEU  27 -15.543  -4.336   2.393
  642   HD22  LEU  27          HD22      LEU  27 -14.917  -5.854   3.037
  643   HD23  LEU  27          HD23      LEU  27 -15.126  -5.653   1.297
  644    H    MET  28           HN       MET  28 -11.991  -2.441  -1.773
  645    HA   MET  28           HA       MET  28 -13.933  -0.603  -2.346
  646    HB2  MET  28           HB2      MET  28 -11.465  -0.274  -2.727
  647    HB3  MET  28           HB1      MET  28 -11.615  -1.223  -4.201
  648    HG2  MET  28           HG2      MET  28 -13.445   0.524  -4.800
  649    HG3  MET  28           HG1      MET  28 -12.631   1.503  -3.592
  650    HE1  MET  28           HE1      MET  28  -9.393   2.572  -5.128
  651    HE2  MET  28           HE2      MET  28  -9.598   1.364  -3.864
  652    HE3  MET  28           HE3      MET  28 -10.631   2.789  -3.891
  653    H    GLU  29           HN       GLU  29 -13.785  -3.758  -3.590
  654    HA   GLU  29           HA       GLU  29 -15.215  -3.116  -6.042
  655    HB2  GLU  29           HB2      GLU  29 -14.772  -5.256  -6.725
  656    HB3  GLU  29           HB1      GLU  29 -13.403  -4.967  -5.663
  657    HG2  GLU  29           HG2      GLU  29 -14.644  -6.128  -3.850
  658    HG3  GLU  29           HG1      GLU  29 -15.899  -6.519  -5.022
  659    H    LEU  30           HN       LEU  30 -15.896  -4.075  -2.782
  660    HA   LEU  30           HA       LEU  30 -18.521  -5.110  -3.486
  661    HB2  LEU  30           HB2      LEU  30 -18.424  -6.269  -1.587
  662    HB3  LEU  30           HB1      LEU  30 -16.734  -5.823  -1.562
  663    HG   LEU  30           HG       LEU  30 -18.911  -4.326  -0.118
  664   HD11  LEU  30          HD11      LEU  30 -18.602  -6.595   0.765
  665   HD12  LEU  30          HD12      LEU  30 -18.047  -5.369   1.905
  666   HD13  LEU  30          HD13      LEU  30 -16.876  -6.280   0.948
  667   HD21  LEU  30          HD21      LEU  30 -16.958  -3.375   1.124
  668   HD22  LEU  30          HD22      LEU  30 -17.097  -2.857  -0.555
  669   HD23  LEU  30          HD23      LEU  30 -15.920  -4.089  -0.104
  670    H    VAL  31           HN       VAL  31 -17.312  -2.161  -3.256
  671    HA   VAL  31           HA       VAL  31 -19.622  -1.031  -1.840
  672    HB   VAL  31           HB       VAL  31 -17.625  -0.020  -1.051
  673   HG11  VAL  31          HG11      VAL  31 -16.877   0.439  -3.932
  674   HG12  VAL  31          HG12      VAL  31 -16.102  -0.673  -2.805
  675   HG13  VAL  31          HG13      VAL  31 -15.995   1.067  -2.540
  676   HG21  VAL  31          HG21      VAL  31 -19.193   1.669  -1.175
  677   HG22  VAL  31          HG22      VAL  31 -19.226   1.657  -2.936
  678   HG23  VAL  31          HG23      VAL  31 -17.852   2.357  -2.088
  679    HA   PRO  32           HA       PRO  32 -21.830  -0.587  -5.669
  680    HB2  PRO  32           HB2      PRO  32 -22.603   1.960  -4.270
  681    HB3  PRO  32           HB1      PRO  32 -23.620   0.836  -5.182
  682    HG2  PRO  32           HG2      PRO  32 -23.551   0.779  -2.507
  683    HG3  PRO  32           HG1      PRO  32 -23.691  -0.708  -3.461
  684    HD2  PRO  32           HD2      PRO  32 -21.400   0.312  -1.901
  685    HD3  PRO  32           HD1      PRO  32 -21.772  -1.350  -2.404
  686    H    GLN  33           HN       GLN  33 -21.049   0.154  -7.541
  687    HA   GLN  33           HA       GLN  33 -18.831   1.733  -7.863
  688    HB2  GLN  33           HB2      GLN  33 -19.577   0.339  -9.649
  689    HB3  GLN  33           HB1      GLN  33 -21.103   1.203  -9.771
  690    HG2  GLN  33           HG2      GLN  33 -19.709   1.861 -11.590
  691    HG3  GLN  33           HG1      GLN  33 -19.851   3.219 -10.473
  692   HE21  GLN  33          HE21      GLN  33 -17.962   4.168 -11.214
  693   HE22  GLN  33          HE22      GLN  33 -16.400   3.530 -10.847
  694    HA   PRO  34           HA       PRO  34 -21.734   5.558  -8.939
  695    HB2  PRO  34           HB2      PRO  34 -23.999   5.563  -7.335
  696    HB3  PRO  34           HB1      PRO  34 -23.961   5.148  -9.051
  697    HG2  PRO  34           HG2      PRO  34 -23.959   3.355  -6.665
  698    HG3  PRO  34           HG1      PRO  34 -24.789   3.157  -8.219
  699    HD2  PRO  34           HD2      PRO  34 -22.560   1.793  -7.652
  700    HD3  PRO  34           HD1      PRO  34 -22.870   2.406  -9.289
  701    H    LEU  35           HN       LEU  35 -21.468   4.031  -5.793
  702    HA   LEU  35           HA       LEU  35 -21.465   6.502  -4.327
  703    HB2  LEU  35           HB2      LEU  35 -22.345   4.422  -3.367
  704    HB3  LEU  35           HB1      LEU  35 -20.772   3.671  -3.527
  705    HG   LEU  35           HG       LEU  35 -19.859   5.206  -1.873
  706   HD11  LEU  35          HD11      LEU  35 -22.660   6.284  -1.703
  707   HD12  LEU  35          HD12      LEU  35 -21.224   7.153  -2.246
  708   HD13  LEU  35          HD13      LEU  35 -21.363   6.644  -0.562
  709   HD21  LEU  35          HD21      LEU  35 -21.016   4.320   0.078
  710   HD22  LEU  35          HD22      LEU  35 -20.785   3.073  -1.148
  711   HD23  LEU  35          HD23      LEU  35 -22.366   3.828  -0.944
  712    H    VAL  36           HN       VAL  36 -19.116   4.325  -5.720
  713    HA   VAL  36           HA       VAL  36 -16.824   5.509  -4.424
  714    HB   VAL  36           HB       VAL  36 -17.018   3.761  -6.893
  715   HG11  VAL  36          HG11      VAL  36 -15.046   5.126  -7.090
  716   HG12  VAL  36          HG12      VAL  36 -14.563   3.490  -6.642
  717   HG13  VAL  36          HG13      VAL  36 -14.583   4.768  -5.427
  718   HG21  VAL  36          HG21      VAL  36 -17.620   2.659  -4.776
  719   HG22  VAL  36          HG22      VAL  36 -16.057   3.125  -4.103
  720   HG23  VAL  36          HG23      VAL  36 -16.134   2.006  -5.464
  721    H    ASP  37           HN       ASP  37 -18.538   5.952  -7.471
  722    HA   ASP  37           HA       ASP  37 -16.720   7.715  -8.672
  723    HB2  ASP  37           HB2      ASP  37 -18.669   6.712  -9.844
  724    HB3  ASP  37           HB1      ASP  37 -19.744   7.732  -8.893
  725    H    SER  38           HN       SER  38 -19.459   8.304  -6.449
  726    HA   SER  38           HA       SER  38 -19.294  11.087  -6.400
  727    HB2  SER  38           HB2      SER  38 -21.167   9.849  -5.416
  728    HB3  SER  38           HB1      SER  38 -20.101   9.210  -4.165
  729    HG   SER  38           HG       SER  38 -21.416  11.140  -3.638
  730    H    TYR  39           HN       TYR  39 -17.616   8.688  -4.375
  731    HA   TYR  39           HA       TYR  39 -16.284  10.506  -2.709
  732    HB2  TYR  39           HB2      TYR  39 -16.184   8.316  -1.946
  733    HB3  TYR  39           HB1      TYR  39 -15.794   7.670  -3.536
  734    HD1  TYR  39           HD2      TYR  39 -14.391   9.574  -0.678
  735    HD2  TYR  39           HD1      TYR  39 -13.559   7.306  -4.178
  736    HE1  TYR  39           HE2      TYR  39 -12.013   9.521  -0.072
  737    HE2  TYR  39           HE1      TYR  39 -11.182   7.249  -3.585
  738    HH   TYR  39           HH       TYR  39  -9.585   8.478  -2.247
  739    H    ARG  40           HN       ARG  40 -15.335   9.037  -5.781
  740    HA   ARG  40           HA       ARG  40 -12.755  10.036  -5.996
  741    HB2  ARG  40           HB2      ARG  40 -14.276   8.465  -7.548
  742    HB3  ARG  40           HB1      ARG  40 -14.422   9.961  -8.460
  743    HG2  ARG  40           HG2      ARG  40 -12.068  10.077  -8.792
  744    HG3  ARG  40           HG1      ARG  40 -11.790   8.742  -7.673
  745    HD2  ARG  40           HD2      ARG  40 -13.129   7.290  -9.211
  746    HD3  ARG  40           HD1      ARG  40 -13.147   8.628 -10.361
  747    HE   ARG  40           HE       ARG  40 -10.520   7.825  -9.468
  748   HH11  ARG  40          HH11      ARG  40 -13.032   7.393 -11.845
  749   HH12  ARG  40          HH12      ARG  40 -11.961   6.753 -13.046
  750   HH21  ARG  40          HH21      ARG  40  -9.105   6.984 -11.044
  751   HH22  ARG  40          HH22      ARG  40  -9.731   6.521 -12.592
  752    H    GLN  41           HN       GLN  41 -15.831  11.582  -6.624
  753    HA   GLN  41           HA       GLN  41 -14.849  13.929  -7.878
  754    HB2  GLN  41           HB2      GLN  41 -17.239  13.184  -7.849
  755    HB3  GLN  41           HB1      GLN  41 -17.315  13.662  -6.158
  756    HG2  GLN  41           HG2      GLN  41 -18.242  15.419  -7.446
  757    HG3  GLN  41           HG1      GLN  41 -16.671  15.956  -6.853
  758   HE21  GLN  41          HE21      GLN  41 -16.463  17.497  -8.465
  759   HE22  GLN  41          HE22      GLN  41 -16.128  17.077 -10.107
  760    H    GLN  42           HN       GLN  42 -15.706  13.255  -4.485
  761    HA   GLN  42           HA       GLN  42 -14.919  15.762  -3.479
  762    HB2  GLN  42           HB2      GLN  42 -16.340  14.172  -2.235
  763    HB3  GLN  42           HB1      GLN  42 -14.965  13.091  -2.058
  764    HG2  GLN  42           HG2      GLN  42 -13.800  14.754  -0.729
  765    HG3  GLN  42           HG1      GLN  42 -15.136  15.884  -0.946
  766   HE21  GLN  42          HE21      GLN  42 -13.990  14.750   1.497
  767   HE22  GLN  42          HE22      GLN  42 -15.297  13.972   2.317
  768    H    GLN  43           HN       GLN  43 -13.130  12.947  -4.375
  769    HA   GLN  43           HA       GLN  43 -10.736  13.617  -2.942
  770    HB2  GLN  43           HB2      GLN  43 -10.874  11.341  -3.333
  771    HB3  GLN  43           HB1      GLN  43 -11.537  11.550  -4.947
  772    HG2  GLN  43           HG2      GLN  43  -8.742  12.428  -4.457
  773    HG3  GLN  43           HG1      GLN  43  -9.077  10.700  -4.546
  774   HE21  GLN  43          HE21      GLN  43  -7.536  12.393  -6.350
  775   HE22  GLN  43          HE22      GLN  43  -8.265  12.227  -7.907
  776    H    GLN  44           HN       GLN  44 -11.871  13.938  -6.277
  777    HA   GLN  44           HA       GLN  44  -9.482  14.985  -7.345
  778    HB2  GLN  44           HB2      GLN  44 -11.375  14.066  -8.693
  779    HB3  GLN  44           HB1      GLN  44 -12.309  15.500  -8.292
  780    HG2  GLN  44           HG2      GLN  44 -11.516  16.152 -10.304
  781    HG3  GLN  44           HG1      GLN  44 -10.182  16.712  -9.299
  782   HE21  GLN  44          HE21      GLN  44  -9.261  13.939  -8.825
  783   HE22  GLN  44          HE22      GLN  44  -8.468  13.466 -10.282
  784    H    LEU  45           HN       LEU  45 -11.972  16.349  -5.408
  785    HA   LEU  45           HA       LEU  45 -11.827  19.050  -6.044
  786    HB2  LEU  45           HB2      LEU  45 -13.506  18.230  -4.536
  787    HB3  LEU  45           HB1      LEU  45 -12.290  17.684  -3.397
  788    HG   LEU  45           HG       LEU  45 -11.734  20.360  -3.559
  789   HD11  LEU  45          HD11      LEU  45 -13.875  21.527  -3.323
  790   HD12  LEU  45          HD12      LEU  45 -14.724  20.035  -3.730
  791   HD13  LEU  45          HD13      LEU  45 -13.683  20.812  -4.924
  792   HD21  LEU  45          HD21      LEU  45 -11.817  19.110  -1.508
  793   HD22  LEU  45          HD22      LEU  45 -13.562  18.900  -1.658
  794   HD23  LEU  45          HD23      LEU  45 -12.888  20.503  -1.368
  795    H    LEU  46           HN       LEU  46  -9.884  17.219  -3.685
  796    HA   LEU  46           HA       LEU  46  -8.082  19.528  -3.490
  797    HB2  LEU  46           HB2      LEU  46  -8.333  17.156  -1.647
  798    HB3  LEU  46           HB1      LEU  46  -7.286  18.542  -1.404
  799    HG   LEU  46           HG       LEU  46 -10.021  19.383  -1.772
  800   HD11  LEU  46          HD11      LEU  46 -10.993  17.588  -0.801
  801   HD12  LEU  46          HD12      LEU  46 -10.511  18.431   0.672
  802   HD13  LEU  46          HD13      LEU  46  -9.527  17.108   0.048
  803   HD21  LEU  46          HD21      LEU  46  -8.414  20.842  -0.809
  804   HD22  LEU  46          HD22      LEU  46  -7.972  19.655   0.416
  805   HD23  LEU  46          HD23      LEU  46  -9.558  20.424   0.466
  806    H    GLN  47           HN       GLN  47  -7.463  16.078  -2.912
  807    HA   GLN  47           HA       GLN  47  -5.781  14.712  -3.609
  808    HB2  GLN  47           HB2      GLN  47  -7.011  15.544  -5.851
  809    HB3  GLN  47           HB1      GLN  47  -5.409  16.202  -6.153
  810    HG2  GLN  47           HG2      GLN  47  -5.972  13.322  -5.502
  811    HG3  GLN  47           HG1      GLN  47  -5.784  13.962  -7.132
  812   HE21  GLN  47          HE21      GLN  47  -4.186  13.152  -4.161
  813   HE22  GLN  47          HE22      GLN  47  -2.570  13.254  -4.764
  814    H    ARG  48           HN       ARG  48  -5.148  17.138  -2.154
  815    HA   ARG  48           HA       ARG  48  -2.316  17.301  -2.847
  816    HB2  ARG  48           HB2      ARG  48  -4.119  19.686  -2.438
  817    HB3  ARG  48           HB1      ARG  48  -2.364  19.775  -2.408
  818    HG2  ARG  48           HG2      ARG  48  -2.255  19.036  -4.703
  819    HG3  ARG  48           HG1      ARG  48  -4.010  18.845  -4.745
  820    HD2  ARG  48           HD2      ARG  48  -3.297  20.944  -5.795
  821    HD3  ARG  48           HD1      ARG  48  -4.298  21.229  -4.372
  822    HE   ARG  48           HE       ARG  48  -1.502  21.242  -3.771
  823   HH11  ARG  48          HH11      ARG  48  -4.133  23.168  -5.000
  824   HH12  ARG  48          HH12      ARG  48  -3.405  24.675  -4.557
  825   HH21  ARG  48          HH21      ARG  48  -0.537  23.220  -3.186
  826   HH22  ARG  48          HH22      ARG  48  -1.360  24.705  -3.527
  827    H    ASP   1           HT1      ASP   1   5.688  16.045 -16.385
  828    HA   ASP   1           HA       ASP   1   6.294  15.786 -14.071
  829    HB2  ASP   1           HB2      ASP   1   3.391  15.128 -14.629
  830    HB3  ASP   1           HB1      ASP   1   4.020  15.828 -13.140
  831    H    GLU   2           HN       GLU   2   7.041  14.402 -12.616
  832    HA   GLU   2           HA       GLU   2   5.717  11.983 -11.925
  833    HB2  GLU   2           HB2      GLU   2   7.412  10.384 -12.634
  834    HB3  GLU   2           HB1      GLU   2   6.752  11.228 -14.027
  835    HG2  GLU   2           HG2      GLU   2   9.340  11.980 -12.694
  836    HG3  GLU   2           HG1      GLU   2   9.223  10.878 -14.065
  837    H    ASP   3           HN       ASP   3   7.329  14.517 -11.035
  838    HA   ASP   3           HA       ASP   3   9.333  13.381  -9.312
  839    HB2  ASP   3           HB2      ASP   3   9.537  15.694  -8.428
  840    HB3  ASP   3           HB1      ASP   3   9.682  15.618 -10.180
  841    H    THR   4           HN       THR   4   8.513  15.320  -7.082
  842    HA   THR   4           HA       THR   4   7.041  13.385  -5.599
  843    HB   THR   4           HB       THR   4   7.121  16.053  -4.431
  844    HG1  THR   4           HG1      THR   4   9.358  16.138  -4.234
  845   HG21  THR   4          HG21      THR   4   8.114  13.334  -3.587
  846   HG22  THR   4          HG22      THR   4   6.604  14.108  -3.099
  847   HG23  THR   4          HG23      THR   4   8.148  14.772  -2.565
  848    H    TYR   5           HN       TYR   5   5.028  13.459  -4.828
  849    HA   TYR   5           HA       TYR   5   3.164  15.313  -6.150
  850    HB2  TYR   5           HB2      TYR   5   2.999  12.352  -5.756
  851    HB3  TYR   5           HB1      TYR   5   1.582  13.342  -6.093
  852    HD1  TYR   5           HD2      TYR   5   1.551  14.712  -8.219
  853    HD2  TYR   5           HD1      TYR   5   4.425  11.663  -7.492
  854    HE1  TYR   5           HE2      TYR   5   2.034  14.603 -10.625
  855    HE2  TYR   5           HE1      TYR   5   4.914  11.542  -9.896
  856    HH   TYR   5           HH       TYR   5   4.057  12.126 -11.986
  857    H    TYR   6           HN       TYR   6   1.077  15.546  -4.847
  858    HA   TYR   6           HA       TYR   6   1.554  14.859  -2.032
  859    HB2  TYR   6           HB2      TYR   6  -0.352  17.006  -2.991
  860    HB3  TYR   6           HB1      TYR   6   0.288  16.775  -1.369
  861    HD1  TYR   6           HD1      TYR   6   3.182  16.340  -2.095
  862    HD2  TYR   6           HD2      TYR   6   0.355  19.225  -3.426
  863    HE1  TYR   6           HE1      TYR   6   5.017  17.894  -2.574
  864    HE2  TYR   6           HE2      TYR   6   2.182  20.795  -3.917
  865    HH   TYR   6           HH       TYR   6   4.506  21.194  -3.230
  866    H    LEU   7           HN       LEU   7   0.285  13.507  -1.066
  867    HA   LEU   7           HA       LEU   7  -2.128  12.538  -2.466
  868    HB2  LEU   7           HB2      LEU   7   0.165  11.254  -1.647
  869    HB3  LEU   7           HB1      LEU   7  -0.930  10.948  -0.329
  870    HG   LEU   7           HG       LEU   7  -2.124   9.437  -1.497
  871   HD11  LEU   7          HD11      LEU   7  -1.949  11.338  -3.690
  872   HD12  LEU   7          HD12      LEU   7  -3.248  10.238  -3.238
  873   HD13  LEU   7          HD13      LEU   7  -1.887   9.649  -4.198
  874   HD21  LEU   7          HD21      LEU   7  -0.677   8.138  -2.934
  875   HD22  LEU   7          HD22      LEU   7   0.207   8.755  -1.535
  876   HD23  LEU   7          HD23      LEU   7   0.403   9.522  -3.110
  877    H    GLN   8           HN       GLN   8  -3.856  13.594  -1.509
  878    HA   GLN   8           HA       GLN   8  -3.836  14.079   1.283
  879    HB2  GLN   8           HB2      GLN   8  -5.086  15.238  -0.793
  880    HB3  GLN   8           HB1      GLN   8  -6.378  14.204  -0.220
  881    HG2  GLN   8           HG2      GLN   8  -5.785  15.260   2.093
  882    HG3  GLN   8           HG1      GLN   8  -5.103  16.535   1.082
  883   HE21  GLN   8          HE21      GLN   8  -6.583  18.092   1.514
  884   HE22  GLN   8          HE22      GLN   8  -8.250  17.995   1.062
  885    H    VAL   9           HN       VAL   9  -4.165  12.613   2.758
  886    HA   VAL   9           HA       VAL   9  -6.004  10.436   2.116
  887    HB   VAL   9           HB       VAL   9  -3.364  10.335   3.542
  888   HG11  VAL   9          HG11      VAL   9  -3.943   7.989   4.207
  889   HG12  VAL   9          HG12      VAL   9  -5.625   8.377   3.841
  890   HG13  VAL   9          HG13      VAL   9  -4.772   9.255   5.111
  891   HG21  VAL   9          HG21      VAL   9  -2.936   8.495   2.039
  892   HG22  VAL   9          HG22      VAL   9  -3.482   9.902   1.127
  893   HG23  VAL   9          HG23      VAL   9  -4.592   8.566   1.437
  894    H    ARG  10           HN       ARG  10  -7.663  10.106   3.493
  895    HA   ARG  10           HA       ARG  10  -7.746  11.860   5.847
  896    HB2  ARG  10           HB2      ARG  10  -9.566  11.923   4.023
  897    HB3  ARG  10           HB1      ARG  10 -10.096  10.376   4.665
  898    HG2  ARG  10           HG2      ARG  10  -9.788  12.705   6.502
  899    HG3  ARG  10           HG1      ARG  10 -11.211  12.582   5.466
  900    HD2  ARG  10           HD2      ARG  10 -11.650  10.337   6.398
  901    HD3  ARG  10           HD1      ARG  10 -10.274  10.541   7.480
  902    HE   ARG  10           HE       ARG  10 -12.045  12.704   7.799
  903   HH11  ARG  10          HH11      ARG  10 -11.805   9.293   8.471
  904   HH12  ARG  10          HH12      ARG  10 -12.846   9.361   9.854
  905   HH21  ARG  10          HH21      ARG  10 -13.417  12.802   9.617
  906   HH22  ARG  10          HH22      ARG  10 -13.764  11.355  10.504
  907    H    GLY  11           HN       GLY  11  -8.068  11.122   7.856
  908    HA2  GLY  11           HA2      GLY  11  -8.503   9.511   9.525
  909    HA3  GLY  11           HA1      GLY  11  -8.558   8.270   8.280
  910    H    ARG  12           HN       ARG  12  -6.893   9.185  10.879
  911    HA   ARG  12           HA       ARG  12  -4.206   9.200  10.232
  912    HB2  ARG  12           HB2      ARG  12  -5.383   9.498  12.519
  913    HB3  ARG  12           HB1      ARG  12  -5.214   7.753  12.663
  914    HG2  ARG  12           HG2      ARG  12  -3.370   8.693  13.782
  915    HG3  ARG  12           HG1      ARG  12  -2.751   8.077  12.249
  916    HD2  ARG  12           HD2      ARG  12  -2.922  10.353  11.308
  917    HD3  ARG  12           HD1      ARG  12  -3.442  10.941  12.886
  918    HE   ARG  12           HE       ARG  12  -0.835   9.619  12.581
  919   HH11  ARG  12          HH11      ARG  12  -2.744  12.410  13.423
  920   HH12  ARG  12          HH12      ARG  12  -1.412  13.270  14.119
  921   HH21  ARG  12          HH21      ARG  12   0.922  10.744  13.495
  922   HH22  ARG  12          HH22      ARG  12   0.672  12.324  14.160
  923    H    GLU  13           HN       GLU  13  -6.175   6.272  10.881
  924    HA   GLU  13           HA       GLU  13  -4.141   4.433  10.737
  925    HB2  GLU  13           HB2      GLU  13  -6.533   3.989  11.339
  926    HB3  GLU  13           HB1      GLU  13  -6.914   4.013   9.622
  927    HG2  GLU  13           HG2      GLU  13  -6.697   1.757  10.160
  928    HG3  GLU  13           HG1      GLU  13  -5.182   2.185   9.368
  929    H    ASN  14           HN       ASN  14  -6.052   5.737   8.048
  930    HA   ASN  14           HA       ASN  14  -4.875   4.188   5.990
  931    HB2  ASN  14           HB2      ASN  14  -7.024   5.337   5.720
  932    HB3  ASN  14           HB1      ASN  14  -6.233   6.896   5.910
  933   HD21  ASN  14          HD21      ASN  14  -7.797   6.350   3.741
  934   HD22  ASN  14          HD22      ASN  14  -6.816   6.255   2.322
  935    H    PHE  15           HN       PHE  15  -4.246   7.449   7.209
  936    HA   PHE  15           HA       PHE  15  -2.255   8.207   5.428
  937    HB2  PHE  15           HB2      PHE  15  -3.395   9.716   7.026
  938    HB3  PHE  15           HB1      PHE  15  -2.487   8.977   8.341
  939    HD1  PHE  15           HD2      PHE  15  -1.368  10.017   4.937
  940    HD2  PHE  15           HD1      PHE  15  -1.094  10.629   9.148
  941    HE1  PHE  15           HE2      PHE  15   0.440  11.625   4.580
  942    HE2  PHE  15           HE1      PHE  15   0.743  12.239   8.782
  943    HZ   PHE  15           HZ       PHE  15   1.506  12.731   6.489
  944    H    GLU  16           HN       GLU  16  -1.943   6.544   8.550
  945    HA   GLU  16           HA       GLU  16   0.883   6.380   8.604
  946    HB2  GLU  16           HB2      GLU  16  -1.213   4.608   9.868
  947    HB3  GLU  16           HB1      GLU  16   0.504   4.552  10.241
  948    HG2  GLU  16           HG2      GLU  16  -1.296   6.927  10.657
  949    HG3  GLU  16           HG1      GLU  16  -0.769   5.805  11.909
  950    H    ILE  17           HN       ILE  17  -1.520   4.018   7.377
  951    HA   ILE  17           HA       ILE  17   0.419   2.071   6.737
  952    HB   ILE  17           HB       ILE  17  -2.416   2.497   6.088
  953   HG12  ILE  17          HG12      ILE  17  -0.984  -0.109   6.484
  954   HG13  ILE  17          HG11      ILE  17  -1.254   0.967   7.848
  955   HG21  ILE  17          HG21      ILE  17  -2.469   0.846   4.292
  956   HG22  ILE  17          HG22      ILE  17  -0.706   0.760   4.309
  957   HG23  ILE  17          HG23      ILE  17  -1.514   2.254   3.821
  958   HD11  ILE  17          HD11      ILE  17  -3.626   0.808   7.564
  959   HD12  ILE  17          HD12      ILE  17  -2.943  -0.822   7.599
  960   HD13  ILE  17          HD13      ILE  17  -3.427  -0.099   6.063
  961    H    LEU  18           HN       LEU  18  -0.915   4.790   4.841
  962    HA   LEU  18           HA       LEU  18   0.502   4.061   2.452
  963    HB2  LEU  18           HB2      LEU  18  -1.459   6.020   3.279
  964    HB3  LEU  18           HB1      LEU  18  -0.182   6.751   2.333
  965    HG   LEU  18           HG       LEU  18  -0.604   4.965   0.589
  966   HD11  LEU  18          HD11      LEU  18  -3.066   4.576   2.267
  967   HD12  LEU  18          HD12      LEU  18  -1.796   3.388   1.969
  968   HD13  LEU  18          HD13      LEU  18  -2.823   3.935   0.643
  969   HD21  LEU  18          HD21      LEU  18  -2.883   6.842   1.186
  970   HD22  LEU  18          HD22      LEU  18  -2.474   6.145  -0.380
  971   HD23  LEU  18          HD23      LEU  18  -1.380   7.299   0.384
  972    H    MET  19           HN       MET  19   1.010   6.267   5.167
  973    HA   MET  19           HA       MET  19   3.193   7.658   4.043
  974    HB2  MET  19           HB2      MET  19   1.745   8.100   6.241
  975    HB3  MET  19           HB1      MET  19   3.067   7.236   7.005
  976    HG2  MET  19           HG2      MET  19   3.179   9.824   5.492
  977    HG3  MET  19           HG1      MET  19   3.506   9.542   7.197
  978    HE1  MET  19           HE1      MET  19   5.750  11.165   6.425
  979    HE2  MET  19           HE2      MET  19   5.165  11.022   4.766
  980    HE3  MET  19           HE3      MET  19   6.840  10.618   5.150
  981    H    LYS  20           HN       LYS  20   3.116   4.917   6.300
  982    HA   LYS  20           HA       LYS  20   5.863   4.430   6.488
  983    HB2  LYS  20           HB2      LYS  20   3.797   3.335   7.669
  984    HB3  LYS  20           HB1      LYS  20   3.877   2.200   6.331
  985    HG2  LYS  20           HG2      LYS  20   6.260   2.800   8.052
  986    HG3  LYS  20           HG1      LYS  20   5.076   1.563   8.476
  987    HD2  LYS  20           HD2      LYS  20   5.488   0.551   6.206
  988    HD3  LYS  20           HD1      LYS  20   6.838   1.674   6.036
  989    HE2  LYS  20           HE2      LYS  20   6.524  -0.328   8.268
  990    HE3  LYS  20           HE1      LYS  20   7.524  -0.564   6.836
  991    HZ1  LYS  20           HZ1      LYS  20   7.875   1.610   8.830
  992    HZ2  LYS  20           HZ2      LYS  20   8.856   1.333   7.481
  993    HZ3  LYS  20           HZ3      LYS  20   8.814   0.205   8.741
  994    H    LEU  21           HN       LEU  21   3.446   3.512   4.153
  995    HA   LEU  21           HA       LEU  21   5.108   1.855   2.572
  996    HB2  LEU  21           HB2      LEU  21   2.524   2.024   2.738
  997    HB3  LEU  21           HB1      LEU  21   2.671   3.355   1.619
  998    HG   LEU  21           HG       LEU  21   3.149   0.444   1.147
  999   HD11  LEU  21          HD11      LEU  21   1.368   2.582   0.061
 1000   HD12  LEU  21          HD12      LEU  21   0.945   1.005   0.725
 1001   HD13  LEU  21          HD13      LEU  21   1.697   1.120  -0.866
 1002   HD21  LEU  21          HD21      LEU  21   3.923   1.093  -1.146
 1003   HD22  LEU  21          HD22      LEU  21   5.080   1.410   0.145
 1004   HD23  LEU  21          HD23      LEU  21   4.139   2.735  -0.538
 1005    H    LYS  22           HN       LYS  22   4.221   5.261   2.381
 1006    HA   LYS  22           HA       LYS  22   5.278   5.947  -0.063
 1007    HB2  LYS  22           HB2      LYS  22   4.079   7.616   1.057
 1008    HB3  LYS  22           HB1      LYS  22   4.965   7.385   2.554
 1009    HG2  LYS  22           HG2      LYS  22   6.984   8.313   1.268
 1010    HG3  LYS  22           HG1      LYS  22   5.791   8.868   0.091
 1011    HD2  LYS  22           HD2      LYS  22   4.855  10.377   1.546
 1012    HD3  LYS  22           HD1      LYS  22   5.339   9.461   2.975
 1013    HE2  LYS  22           HE2      LYS  22   7.126  11.111   1.195
 1014    HE3  LYS  22           HE1      LYS  22   6.625  11.502   2.839
 1015    HZ1  LYS  22           HZ1      LYS  22   7.842   9.618   3.657
 1016    HZ2  LYS  22           HZ2      LYS  22   8.879  10.563   2.711
 1017    HZ3  LYS  22           HZ3      LYS  22   8.241   9.127   2.087
 1018    H    GLU  23           HN       GLU  23   6.848   5.546   3.056
 1019    HA   GLU  23           HA       GLU  23   9.437   6.350   2.210
 1020    HB2  GLU  23           HB2      GLU  23   8.540   4.632   4.532
 1021    HB3  GLU  23           HB1      GLU  23  10.193   5.180   4.292
 1022    HG2  GLU  23           HG2      GLU  23   9.517   7.476   4.530
 1023    HG3  GLU  23           HG1      GLU  23   7.823   7.003   4.618
 1024    H    SER  24           HN       SER  24   7.912   3.128   2.519
 1025    HA   SER  24           HA       SER  24  10.168   1.697   1.781
 1026    HB2  SER  24           HB2      SER  24   8.675  -0.167   1.269
 1027    HB3  SER  24           HB1      SER  24   8.133   0.656   2.726
 1028    HG   SER  24           HG       SER  24   7.070   0.940   0.112
 1029    H    LEU  25           HN       LEU  25   7.559   2.915  -0.341
 1030    HA   LEU  25           HA       LEU  25   8.643   1.892  -2.768
 1031    HB2  LEU  25           HB2      LEU  25   6.612   3.940  -2.036
 1032    HB3  LEU  25           HB1      LEU  25   7.251   3.952  -3.667
 1033    HG   LEU  25           HG       LEU  25   6.015   1.493  -2.433
 1034   HD11  LEU  25          HD11      LEU  25   4.670   3.517  -4.215
 1035   HD12  LEU  25          HD12      LEU  25   4.421   3.392  -2.475
 1036   HD13  LEU  25          HD13      LEU  25   3.958   2.057  -3.527
 1037   HD21  LEU  25          HD21      LEU  25   7.519   1.296  -4.451
 1038   HD22  LEU  25          HD22      LEU  25   6.322   2.254  -5.329
 1039   HD23  LEU  25          HD23      LEU  25   5.876   0.686  -4.655
 1040    H    GLU  26           HN       GLU  26   8.960   5.050  -1.186
 1041    HA   GLU  26           HA       GLU  26  10.527   6.217  -3.239
 1042    HB2  GLU  26           HB2      GLU  26  10.064   6.894  -0.351
 1043    HB3  GLU  26           HB1      GLU  26  11.233   7.789  -1.313
 1044    HG2  GLU  26           HG2      GLU  26   9.355   8.192  -2.962
 1045    HG3  GLU  26           HG1      GLU  26   8.268   7.580  -1.716
 1046    H    LEU  27           HN       LEU  27  11.370   4.571  -0.224
 1047    HA   LEU  27           HA       LEU  27  14.190   4.897  -0.436
 1048    HB2  LEU  27           HB2      LEU  27  12.409   3.040   1.106
 1049    HB3  LEU  27           HB1      LEU  27  14.154   2.864   1.132
 1050    HG   LEU  27           HG       LEU  27  12.784   5.441   1.882
 1051   HD11  LEU  27          HD11      LEU  27  12.015   3.603   3.340
 1052   HD12  LEU  27          HD12      LEU  27  12.977   4.808   4.192
 1053   HD13  LEU  27          HD13      LEU  27  13.696   3.260   3.747
 1054   HD21  LEU  27          HD21      LEU  27  15.539   4.335   2.401
 1055   HD22  LEU  27          HD22      LEU  27  14.914   5.853   3.046
 1056   HD23  LEU  27          HD23      LEU  27  15.123   5.653   1.306
 1057    H    MET  28           HN       MET  28  11.990   2.444  -1.769
 1058    HA   MET  28           HA       MET  28  13.934   0.607  -2.341
 1059    HB2  MET  28           HB2      MET  28  11.465   0.278  -2.724
 1060    HB3  MET  28           HB1      MET  28  11.616   1.227  -4.197
 1061    HG2  MET  28           HG2      MET  28  13.447  -0.518  -4.796
 1062    HG3  MET  28           HG1      MET  28  12.634  -1.499  -3.590
 1063    HE1  MET  28           HE1      MET  28   9.396  -2.568  -5.128
 1064    HE2  MET  28           HE2      MET  28   9.601  -1.360  -3.863
 1065    HE3  MET  28           HE3      MET  28  10.634  -2.785  -3.890
 1066    H    GLU  29           HN       GLU  29  13.786   3.763  -3.583
 1067    HA   GLU  29           HA       GLU  29  15.218   3.124  -6.034
 1068    HB2  GLU  29           HB2      GLU  29  14.775   5.263  -6.717
 1069    HB3  GLU  29           HB1      GLU  29  13.404   4.974  -5.657
 1070    HG2  GLU  29           HG2      GLU  29  14.644   6.134  -3.841
 1071    HG3  GLU  29           HG1      GLU  29  15.900   6.526  -5.013
 1072    H    LEU  30           HN       LEU  30  15.896   4.077  -2.774
 1073    HA   LEU  30           HA       LEU  30  18.521   5.116  -3.474
 1074    HB2  LEU  30           HB2      LEU  30  18.422   6.273  -1.574
 1075    HB3  LEU  30           HB1      LEU  30  16.732   5.826  -1.551
 1076    HG   LEU  30           HG       LEU  30  18.909   4.329  -0.107
 1077   HD11  LEU  30          HD11      LEU  30  18.599   6.598   0.777
 1078   HD12  LEU  30          HD12      LEU  30  18.044   5.371   1.916
 1079   HD13  LEU  30          HD13      LEU  30  16.874   6.282   0.959
 1080   HD21  LEU  30          HD21      LEU  30  16.955   3.376   1.133
 1081   HD22  LEU  30          HD22      LEU  30  17.095   2.860  -0.546
 1082   HD23  LEU  30          HD23      LEU  30  15.918   4.092  -0.094
 1083    H    VAL  31           HN       VAL  31  17.312   2.166  -3.247
 1084    HA   VAL  31           HA       VAL  31  19.622   1.036  -1.829
 1085    HB   VAL  31           HB       VAL  31  17.624   0.025  -1.043
 1086   HG11  VAL  31          HG11      VAL  31  16.879  -0.433  -3.926
 1087   HG12  VAL  31          HG12      VAL  31  16.102   0.679  -2.797
 1088   HG13  VAL  31          HG13      VAL  31  15.995  -1.062  -2.535
 1089   HG21  VAL  31          HG21      VAL  31  19.192  -1.664  -1.166
 1090   HG22  VAL  31          HG22      VAL  31  19.225  -1.651  -2.928
 1091   HG23  VAL  31          HG23      VAL  31  17.851  -2.351  -2.081
 1092    HA   PRO  32           HA       PRO  32  21.832   0.595  -5.658
 1093    HB2  PRO  32           HB2      PRO  32  22.605  -1.953  -4.262
 1094    HB3  PRO  32           HB1      PRO  32  23.623  -0.827  -5.170
 1095    HG2  PRO  32           HG2      PRO  32  23.551  -0.774  -2.496
 1096    HG3  PRO  32           HG1      PRO  32  23.692   0.715  -3.448
 1097    HD2  PRO  32           HD2      PRO  32  21.400  -0.308  -1.891
 1098    HD3  PRO  32           HD1      PRO  32  21.772   1.354  -2.392
 1099    H    GLN  33           HN       GLN  33  21.053  -0.145  -7.531
 1100    HA   GLN  33           HA       GLN  33  18.836  -1.725  -7.855
 1101    HB2  GLN  33           HB2      GLN  33  19.583  -0.329  -9.640
 1102    HB3  GLN  33           HB1      GLN  33  21.109  -1.195  -9.761
 1103    HG2  GLN  33           HG2      GLN  33  19.716  -1.849 -11.582
 1104    HG3  GLN  33           HG1      GLN  33  19.858  -3.209 -10.467
 1105   HE21  GLN  33          HE21      GLN  33  17.971  -4.157 -11.208
 1106   HE22  GLN  33          HE22      GLN  33  16.407  -3.520 -10.842
 1107    HA   PRO  34           HA       PRO  34  21.740  -5.547  -8.931
 1108    HB2  PRO  34           HB2      PRO  34  24.004  -5.553  -7.326
 1109    HB3  PRO  34           HB1      PRO  34  23.967  -5.137  -9.042
 1110    HG2  PRO  34           HG2      PRO  34  23.963  -3.345  -6.654
 1111    HG3  PRO  34           HG1      PRO  34  24.794  -3.146  -8.209
 1112    HD2  PRO  34           HD2      PRO  34  22.565  -1.784  -7.640
 1113    HD3  PRO  34           HD1      PRO  34  22.876  -2.395  -9.278
 1114    H    LEU  35           HN       LEU  35  21.471  -4.023  -5.785
 1115    HA   LEU  35           HA       LEU  35  21.468  -6.495  -4.320
 1116    HB2  LEU  35           HB2      LEU  35  22.347  -4.415  -3.359
 1117    HB3  LEU  35           HB1      LEU  35  20.773  -3.664  -3.519
 1118    HG   LEU  35           HG       LEU  35  19.860  -5.200  -1.867
 1119   HD11  LEU  35          HD11      LEU  35  22.661  -6.279  -1.695
 1120   HD12  LEU  35          HD12      LEU  35  21.225  -7.148  -2.241
 1121   HD13  LEU  35          HD13      LEU  35  21.363  -6.641  -0.557
 1122   HD21  LEU  35          HD21      LEU  35  21.017  -4.317   0.085
 1123   HD22  LEU  35          HD22      LEU  35  20.786  -3.069  -1.140
 1124   HD23  LEU  35          HD23      LEU  35  22.367  -3.823  -0.937
 1125    H    VAL  36           HN       VAL  36  19.120  -4.317  -5.715
 1126    HA   VAL  36           HA       VAL  36  16.826  -5.502  -4.421
 1127    HB   VAL  36           HB       VAL  36  17.023  -3.753  -6.888
 1128   HG11  VAL  36          HG11      VAL  36  15.051  -5.118  -7.088
 1129   HG12  VAL  36          HG12      VAL  36  14.566  -3.483  -6.640
 1130   HG13  VAL  36          HG13      VAL  36  14.586  -4.761  -5.425
 1131   HG21  VAL  36          HG21      VAL  36  17.623  -2.652  -4.770
 1132   HG22  VAL  36          HG22      VAL  36  16.059  -3.118  -4.099
 1133   HG23  VAL  36          HG23      VAL  36  16.137  -1.997  -5.459
 1134    H    ASP  37           HN       ASP  37  18.544  -5.944  -7.466
 1135    HA   ASP  37           HA       ASP  37  16.727  -7.706  -8.669
 1136    HB2  ASP  37           HB2      ASP  37  18.675  -6.702  -9.840
 1137    HB3  ASP  37           HB1      ASP  37  19.750  -7.722  -8.889
 1138    H    SER  38           HN       SER  38  19.464  -8.296  -6.445
 1139    HA   SER  38           HA       SER  38  19.299 -11.080  -6.398
 1140    HB2  SER  38           HB2      SER  38  21.171  -9.842  -5.411
 1141    HB3  SER  38           HB1      SER  38  20.104  -9.204  -4.161
 1142    HG   SER  38           HG       SER  38  21.418 -11.132  -3.633
 1143    H    TYR  39           HN       TYR  39  17.619  -8.682  -4.373
 1144    HA   TYR  39           HA       TYR  39  16.285 -10.501  -2.709
 1145    HB2  TYR  39           HB2      TYR  39  16.184  -8.311  -1.945
 1146    HB3  TYR  39           HB1      TYR  39  15.795  -7.664  -3.536
 1147    HD1  TYR  39           HD2      TYR  39  14.392  -9.570  -0.678
 1148    HD2  TYR  39           HD1      TYR  39  13.560  -7.302  -4.178
 1149    HE1  TYR  39           HE2      TYR  39  12.014  -9.519  -0.074
 1150    HE2  TYR  39           HE1      TYR  39  11.184  -7.245  -3.587
 1151    HH   TYR  39           HH       TYR  39   9.587  -8.472  -2.250
 1152    H    ARG  40           HN       ARG  40  15.339  -9.031  -5.781
 1153    HA   ARG  40           HA       ARG  40  12.759 -10.031  -5.999
 1154    HB2  ARG  40           HB2      ARG  40  14.281  -8.458  -7.548
 1155    HB3  ARG  40           HB1      ARG  40  14.428  -9.953  -8.461
 1156    HG2  ARG  40           HG2      ARG  40  12.075 -10.069  -8.796
 1157    HG3  ARG  40           HG1      ARG  40  11.795  -8.735  -7.675
 1158    HD2  ARG  40           HD2      ARG  40  13.135  -7.281  -9.211
 1159    HD3  ARG  40           HD1      ARG  40  13.155  -8.617 -10.362
 1160    HE   ARG  40           HE       ARG  40  10.526  -7.816  -9.470
 1161   HH11  ARG  40          HH11      ARG  40  13.041  -7.382 -11.846
 1162   HH12  ARG  40          HH12      ARG  40  11.970  -6.743 -13.048
 1163   HH21  ARG  40          HH21      ARG  40   9.113  -6.976 -11.047
 1164   HH22  ARG  40          HH22      ARG  40   9.739  -6.511 -12.594
 1165    H    GLN  41           HN       GLN  41  15.836 -11.575  -6.623
 1166    HA   GLN  41           HA       GLN  41  14.856 -13.920  -7.881
 1167    HB2  GLN  41           HB2      GLN  41  17.246 -13.175  -7.851
 1168    HB3  GLN  41           HB1      GLN  41  17.321 -13.653  -6.160
 1169    HG2  GLN  41           HG2      GLN  41  18.248 -15.411  -7.447
 1170    HG3  GLN  41           HG1      GLN  41  16.676 -15.947  -6.856
 1171   HE21  GLN  41          HE21      GLN  41  16.471 -17.489  -8.470
 1172   HE22  GLN  41          HE22      GLN  41  16.137 -17.068 -10.112
 1173    H    GLN  42           HN       GLN  42  15.711 -13.249  -4.487
 1174    HA   GLN  42           HA       GLN  42  14.922 -15.757  -3.483
 1175    HB2  GLN  42           HB2      GLN  42  16.342 -14.167  -2.238
 1176    HB3  GLN  42           HB1      GLN  42  14.966 -13.086  -2.060
 1177    HG2  GLN  42           HG2      GLN  42  13.801 -14.751  -0.734
 1178    HG3  GLN  42           HG1      GLN  42  15.138 -15.879  -0.951
 1179   HE21  GLN  42          HE21      GLN  42  13.989 -14.747   1.493
 1180   HE22  GLN  42          HE22      GLN  42  15.296 -13.969   2.313
 1181    H    GLN  43           HN       GLN  43  13.134 -12.941  -4.379
 1182    HA   GLN  43           HA       GLN  43  10.739 -13.612  -2.948
 1183    HB2  GLN  43           HB2      GLN  43  10.877 -11.336  -3.338
 1184    HB3  GLN  43           HB1      GLN  43  11.540 -11.543  -4.951
 1185    HG2  GLN  43           HG2      GLN  43   8.747 -12.423  -4.462
 1186    HG3  GLN  43           HG1      GLN  43   9.080 -10.694  -4.550
 1187   HE21  GLN  43          HE21      GLN  43   7.541 -12.387  -6.356
 1188   HE22  GLN  43          HE22      GLN  43   8.271 -12.220  -7.912
 1189    H    GLN  44           HN       GLN  44  11.875 -13.930  -6.283
 1190    HA   GLN  44           HA       GLN  44   9.488 -14.978  -7.353
 1191    HB2  GLN  44           HB2      GLN  44  11.381 -14.058  -8.698
 1192    HB3  GLN  44           HB1      GLN  44  12.315 -15.492  -8.298
 1193    HG2  GLN  44           HG2      GLN  44  11.524 -16.143 -10.311
 1194    HG3  GLN  44           HG1      GLN  44  10.190 -16.705  -9.307
 1195   HE21  GLN  44          HE21      GLN  44   9.270 -13.931  -8.832
 1196   HE22  GLN  44          HE22      GLN  44   8.476 -13.458 -10.290
 1197    H    LEU  45           HN       LEU  45  11.976 -16.344  -5.415
 1198    HA   LEU  45           HA       LEU  45  11.832 -19.044  -6.053
 1199    HB2  LEU  45           HB2      LEU  45  13.510 -18.224  -4.543
 1200    HB3  LEU  45           HB1      LEU  45  12.294 -17.679  -3.404
 1201    HG   LEU  45           HG       LEU  45  11.737 -20.355  -3.570
 1202   HD11  LEU  45          HD11      LEU  45  13.878 -21.521  -3.332
 1203   HD12  LEU  45          HD12      LEU  45  14.727 -20.029  -3.738
 1204   HD13  LEU  45          HD13      LEU  45  13.688 -20.805  -4.933
 1205   HD21  LEU  45          HD21      LEU  45  11.818 -19.105  -1.518
 1206   HD22  LEU  45          HD22      LEU  45  13.563 -18.895  -1.666
 1207   HD23  LEU  45          HD23      LEU  45  12.889 -20.499  -1.378
 1208    H    LEU  46           HN       LEU  46   9.887 -17.214  -3.696
 1209    HA   LEU  46           HA       LEU  46   8.086 -19.524  -3.502
 1210    HB2  LEU  46           HB2      LEU  46   8.337 -17.153  -1.658
 1211    HB3  LEU  46           HB1      LEU  46   7.289 -18.537  -1.415
 1212    HG   LEU  46           HG       LEU  46  10.024 -19.380  -1.781
 1213   HD11  LEU  46          HD11      LEU  46  10.994 -17.584  -0.809
 1214   HD12  LEU  46          HD12      LEU  46  10.512 -18.429   0.662
 1215   HD13  LEU  46          HD13      LEU  46   9.527 -17.107   0.039
 1216   HD21  LEU  46          HD21      LEU  46   8.414 -20.838  -0.821
 1217   HD22  LEU  46          HD22      LEU  46   7.973 -19.652   0.404
 1218   HD23  LEU  46          HD23      LEU  46   9.558 -20.422   0.455
 1219    H    GLN  47           HN       GLN  47   7.467 -16.074  -2.922
 1220    HA   GLN  47           HA       GLN  47   5.785 -14.707  -3.620
 1221    HB2  GLN  47           HB2      GLN  47   7.015 -15.539  -5.863
 1222    HB3  GLN  47           HB1      GLN  47   5.413 -16.196  -6.164
 1223    HG2  GLN  47           HG2      GLN  47   5.976 -13.316  -5.511
 1224    HG3  GLN  47           HG1      GLN  47   5.790 -13.955  -7.142
 1225   HE21  GLN  47          HE21      GLN  47   4.190 -13.148  -4.172
 1226   HE22  GLN  47          HE22      GLN  47   2.574 -13.250  -4.775
 1227    H    ARG  48           HN       ARG  48   5.151 -17.134  -2.166
 1228    HA   ARG  48           HA       ARG  48   2.319 -17.298  -2.860
 1229    HB2  ARG  48           HB2      ARG  48   4.123 -19.682  -2.454
 1230    HB3  ARG  48           HB1      ARG  48   2.368 -19.772  -2.423
 1231    HG2  ARG  48           HG2      ARG  48   2.260 -19.031  -4.719
 1232    HG3  ARG  48           HG1      ARG  48   4.014 -18.840  -4.760
 1233    HD2  ARG  48           HD2      ARG  48   3.303 -20.938  -5.812
 1234    HD3  ARG  48           HD1      ARG  48   4.302 -21.225  -4.388
 1235    HE   ARG  48           HE       ARG  48   1.506 -21.238  -3.790
 1236   HH11  ARG  48          HH11      ARG  48   4.139 -23.164  -5.018
 1237   HH12  ARG  48          HH12      ARG  48   3.411 -24.672  -4.575
 1238   HH21  ARG  48          HH21      ARG  48   0.542 -23.217  -3.205
 1239   HH22  ARG  48          HH22      ARG  48   1.366 -24.702  -3.546
 1240    H    ASP   1           HT1      ASP   1  -5.717  16.028  16.386
 1241    HA   ASP   1           HA       ASP   1  -6.324  15.767  14.072
 1242    HB2  ASP   1           HB2      ASP   1  -3.419  15.117  14.627
 1243    HB3  ASP   1           HB1      ASP   1  -4.051  15.815  13.139
 1244    H    GLU   2           HN       GLU   2  -7.070  14.380  12.620
 1245    HA   GLU   2           HA       GLU   2  -5.739  11.965  11.926
 1246    HB2  GLU   2           HB2      GLU   2  -7.428  10.361  12.635
 1247    HB3  GLU   2           HB1      GLU   2  -6.769  11.206  14.028
 1248    HG2  GLU   2           HG2      GLU   2  -9.361  11.950  12.699
 1249    HG3  GLU   2           HG1      GLU   2  -9.238  10.848  14.069
 1250    H    ASP   3           HN       ASP   3  -7.361  14.494  11.038
 1251    HA   ASP   3           HA       ASP   3  -9.363  13.354   9.314
 1252    HB2  ASP   3           HB2      ASP   3  -9.571  15.666   8.430
 1253    HB3  ASP   3           HB1      ASP   3  -9.716  15.590  10.182
 1254    H    THR   4           HN       THR   4  -8.549  15.293   7.084
 1255    HA   THR   4           HA       THR   4  -7.073  13.363   5.599
 1256    HB   THR   4           HB       THR   4  -7.159  16.031   4.432
 1257    HG1  THR   4           HG1      THR   4  -9.398  16.109   4.236
 1258   HG21  THR   4          HG21      THR   4  -8.146  13.311   3.588
 1259   HG22  THR   4          HG22      THR   4  -6.638  14.089   3.099
 1260   HG23  THR   4          HG23      THR   4  -8.184  14.749   2.566
 1261    H    TYR   5           HN       TYR   5  -5.061  13.443   4.826
 1262    HA   TYR   5           HA       TYR   5  -3.201  15.301   6.147
 1263    HB2  TYR   5           HB2      TYR   5  -3.027  12.341   5.753
 1264    HB3  TYR   5           HB1      TYR   5  -1.613  13.337   6.089
 1265    HD1  TYR   5           HD2      TYR   5  -1.584  14.707   8.215
 1266    HD2  TYR   5           HD1      TYR   5  -4.450  11.650   7.490
 1267    HE1  TYR   5           HE2      TYR   5  -2.065  14.597  10.621
 1268    HE2  TYR   5           HE1      TYR   5  -4.940  11.529   9.893
 1269    HH   TYR   5           HH       TYR   5  -4.079  12.115  11.984
 1270    H    TYR   6           HN       TYR   6  -1.115  15.542   4.842
 1271    HA   TYR   6           HA       TYR   6  -1.593  14.855   2.027
 1272    HB2  TYR   6           HB2      TYR   6   0.306  17.006   2.987
 1273    HB3  TYR   6           HB1      TYR   6  -0.333  16.774   1.364
 1274    HD1  TYR   6           HD1      TYR   6  -3.226  16.330   2.093
 1275    HD2  TYR   6           HD2      TYR   6  -0.406  19.224   3.422
 1276    HE1  TYR   6           HE1      TYR   6  -5.065  17.878   2.573
 1277    HE2  TYR   6           HE2      TYR   6  -2.238  20.787   3.915
 1278    HH   TYR   6           HH       TYR   6  -4.563  21.179   3.230
 1279    H    LEU   7           HN       LEU   7  -0.322  13.505   1.061
 1280    HA   LEU   7           HA       LEU   7   2.095  12.544   2.460
 1281    HB2  LEU   7           HB2      LEU   7  -0.194  11.254   1.641
 1282    HB3  LEU   7           HB1      LEU   7   0.902  10.950   0.323
 1283    HG   LEU   7           HG       LEU   7   2.100   9.443   1.491
 1284   HD11  LEU   7          HD11      LEU   7   1.919  11.343   3.685
 1285   HD12  LEU   7          HD12      LEU   7   3.223  10.248   3.232
 1286   HD13  LEU   7          HD13      LEU   7   1.863   9.652   4.192
 1287   HD21  LEU   7          HD21      LEU   7   0.657   8.140   2.928
 1288   HD22  LEU   7          HD22      LEU   7  -0.230   8.754   1.530
 1289   HD23  LEU   7          HD23      LEU   7  -0.426   9.521   3.106
 1290    H    GLN   8           HN       GLN   8   3.820  13.604   1.502
 1291    HA   GLN   8           HA       GLN   8   3.797  14.090  -1.289
 1292    HB2  GLN   8           HB2      GLN   8   5.045  15.251   0.786
 1293    HB3  GLN   8           HB1      GLN   8   6.340  14.221   0.211
 1294    HG2  GLN   8           HG2      GLN   8   5.742  15.277  -2.101
 1295    HG3  GLN   8           HG1      GLN   8   5.056  16.550  -1.089
 1296   HE21  GLN   8          HE21      GLN   8   6.532  18.113  -1.518
 1297   HE22  GLN   8          HE22      GLN   8   8.200  18.019  -1.066
 1298    H    VAL   9           HN       VAL   9   4.129  12.625  -2.766
 1299    HA   VAL   9           HA       VAL   9   5.975  10.453  -2.126
 1300    HB   VAL   9           HB       VAL   9   3.334  10.346  -3.549
 1301   HG11  VAL   9          HG11      VAL   9   3.919   8.001  -4.216
 1302   HG12  VAL   9          HG12      VAL   9   5.600   8.393  -3.852
 1303   HG13  VAL   9          HG13      VAL   9   4.744   9.269  -5.120
 1304   HG21  VAL   9          HG21      VAL   9   2.913   8.503  -2.046
 1305   HG22  VAL   9          HG22      VAL   9   3.456   9.912  -1.134
 1306   HG23  VAL   9          HG23      VAL   9   4.569   8.580  -1.446
 1307    H    ARG  10           HN       ARG  10   7.634  10.128  -3.504
 1308    HA   ARG  10           HA       ARG  10   7.711  11.883  -5.857
 1309    HB2  ARG  10           HB2      ARG  10   9.533  11.950  -4.035
 1310    HB3  ARG  10           HB1      ARG  10  10.065  10.405  -4.680
 1311    HG2  ARG  10           HG2      ARG  10   9.748  12.735  -6.514
 1312    HG3  ARG  10           HG1      ARG  10  11.173  12.616  -5.481
 1313    HD2  ARG  10           HD2      ARG  10  11.618  10.372  -6.414
 1314    HD3  ARG  10           HD1      ARG  10  10.240  10.572  -7.494
 1315    HE   ARG  10           HE       ARG  10  12.003  12.740  -7.816
 1316   HH11  ARG  10          HH11      ARG  10  11.773   9.327  -8.488
 1317   HH12  ARG  10          HH12      ARG  10  12.814   9.400  -9.870
 1318   HH21  ARG  10          HH21      ARG  10  13.373  12.842  -9.634
 1319   HH22  ARG  10          HH22      ARG  10  13.723  11.397 -10.521
 1320    H    GLY  11           HN       GLY  11   8.031  11.147  -7.867
 1321    HA2  GLY  11           HA2      GLY  11   8.470   9.537  -9.537
 1322    HA3  GLY  11           HA1      GLY  11   8.530   8.296  -8.292
 1323    H    ARG  12           HN       ARG  12   6.860   9.206 -10.890
 1324    HA   ARG  12           HA       ARG  12   4.173   9.214 -10.241
 1325    HB2  ARG  12           HB2      ARG  12   5.348   9.514 -12.529
 1326    HB3  ARG  12           HB1      ARG  12   5.183   7.769 -12.672
 1327    HG2  ARG  12           HG2      ARG  12   3.336   8.704 -13.790
 1328    HG3  ARG  12           HG1      ARG  12   2.720   8.086 -12.256
 1329    HD2  ARG  12           HD2      ARG  12   2.887  10.363 -11.314
 1330    HD3  ARG  12           HD1      ARG  12   3.403  10.952 -12.894
 1331    HE   ARG  12           HE       ARG  12   0.799   9.622 -12.584
 1332   HH11  ARG  12          HH11      ARG  12   2.699  12.419 -13.430
 1333   HH12  ARG  12          HH12      ARG  12   1.364  13.274 -14.126
 1334   HH21  ARG  12          HH21      ARG  12  -0.963  10.741 -13.499
 1335   HH22  ARG  12          HH22      ARG  12  -0.718  12.321 -14.165
 1336    H    GLU  13           HN       GLU  13   6.150   6.291 -10.892
 1337    HA   GLU  13           HA       GLU  13   4.122   4.445 -10.745
 1338    HB2  GLU  13           HB2      GLU  13   6.515   4.009 -11.350
 1339    HB3  GLU  13           HB1      GLU  13   6.897   4.033  -9.634
 1340    HG2  GLU  13           HG2      GLU  13   6.687   1.777 -10.172
 1341    HG3  GLU  13           HG1      GLU  13   5.171   2.200  -9.379
 1342    H    ASN  14           HN       ASN  14   6.032   5.753  -8.058
 1343    HA   ASN  14           HA       ASN  14   4.861   4.201  -5.998
 1344    HB2  ASN  14           HB2      ASN  14   7.006   5.357  -5.731
 1345    HB3  ASN  14           HB1      ASN  14   6.211   6.914  -5.921
 1346   HD21  ASN  14          HD21      ASN  14   7.778   6.373  -3.753
 1347   HD22  ASN  14          HD22      ASN  14   6.799   6.276  -2.333
 1348    H    PHE  15           HN       PHE  15   4.223   7.461  -7.216
 1349    HA   PHE  15           HA       PHE  15   2.230   8.215  -5.435
 1350    HB2  PHE  15           HB2      PHE  15   3.365   9.726  -7.036
 1351    HB3  PHE  15           HB1      PHE  15   2.457   8.984  -8.349
 1352    HD1  PHE  15           HD2      PHE  15   1.338  10.021  -4.945
 1353    HD2  PHE  15           HD1      PHE  15   1.060  10.635  -9.155
 1354    HE1  PHE  15           HE2      PHE  15  -0.474  11.623  -4.586
 1355    HE2  PHE  15           HE1      PHE  15  -0.782  12.238  -8.788
 1356    HZ   PHE  15           HZ       PHE  15  -1.544  12.727  -6.494
 1357    H    GLU  16           HN       GLU  16   1.921   6.551  -8.556
 1358    HA   GLU  16           HA       GLU  16  -0.905   6.378  -8.609
 1359    HB2  GLU  16           HB2      GLU  16   1.195   4.612  -9.874
 1360    HB3  GLU  16           HB1      GLU  16  -0.522   4.549 -10.245
 1361    HG2  GLU  16           HG2      GLU  16   1.270   6.931 -10.663
 1362    HG3  GLU  16           HG1      GLU  16   0.744   5.806 -11.915
 1363    H    ILE  17           HN       ILE  17   1.506   4.023  -7.383
 1364    HA   ILE  17           HA       ILE  17  -0.427   2.071  -6.741
 1365    HB   ILE  17           HB       ILE  17   2.407   2.504  -6.095
 1366   HG12  ILE  17          HG12      ILE  17   0.983  -0.106  -6.491
 1367   HG13  ILE  17          HG11      ILE  17   1.249   0.972  -7.854
 1368   HG21  ILE  17          HG21      ILE  17   2.467   0.853  -4.300
 1369   HG22  ILE  17          HG22      ILE  17   0.704   0.763  -4.316
 1370   HG23  ILE  17          HG23      ILE  17   1.509   2.258  -3.827
 1371   HD11  ILE  17          HD11      ILE  17   3.622   0.820  -7.573
 1372   HD12  ILE  17          HD12      ILE  17   2.943  -0.814  -7.607
 1373   HD13  ILE  17          HD13      ILE  17   3.426  -0.088  -6.071
 1374    H    LEU  18           HN       LEU  18   0.902   4.793  -4.846
 1375    HA   LEU  18           HA       LEU  18  -0.511   4.059  -2.457
 1376    HB2  LEU  18           HB2      LEU  18   1.442   6.025  -3.285
 1377    HB3  LEU  18           HB1      LEU  18   0.164   6.751  -2.338
 1378    HG   LEU  18           HG       LEU  18   0.593   4.967  -0.595
 1379   HD11  LEU  18          HD11      LEU  18   3.055   4.584  -2.274
 1380   HD12  LEU  18          HD12      LEU  18   1.788   3.393  -1.975
 1381   HD13  LEU  18          HD13      LEU  18   2.815   3.944  -0.649
 1382   HD21  LEU  18          HD21      LEU  18   2.864   6.851  -1.193
 1383   HD22  LEU  18          HD22      LEU  18   2.459   6.153   0.373
 1384   HD23  LEU  18          HD23      LEU  18   1.360   7.304  -0.391
 1385    H    MET  19           HN       MET  19  -1.030   6.265  -5.170
 1386    HA   MET  19           HA       MET  19  -3.216   7.649  -4.045
 1387    HB2  MET  19           HB2      MET  19  -1.772   8.095  -6.245
 1388    HB3  MET  19           HB1      MET  19  -3.093   7.227  -7.007
 1389    HG2  MET  19           HG2      MET  19  -3.210   9.814  -5.493
 1390    HG3  MET  19           HG1      MET  19  -3.538   9.532  -7.198
 1391    HE1  MET  19           HE1      MET  19  -5.785  11.149  -6.424
 1392    HE2  MET  19           HE2      MET  19  -5.198  11.006  -4.766
 1393    HE3  MET  19           HE3      MET  19  -6.873  10.598  -5.149
 1394    H    LYS  20           HN       LYS  20  -3.133   4.908  -6.302
 1395    HA   LYS  20           HA       LYS  20  -5.879   4.413  -6.488
 1396    HB2  LYS  20           HB2      LYS  20  -3.812   3.325  -7.672
 1397    HB3  LYS  20           HB1      LYS  20  -3.885   2.189  -6.333
 1398    HG2  LYS  20           HG2      LYS  20  -6.272   2.781  -8.051
 1399    HG3  LYS  20           HG1      LYS  20  -5.085   1.547  -8.476
 1400    HD2  LYS  20           HD2      LYS  20  -5.492   0.536  -6.205
 1401    HD3  LYS  20           HD1      LYS  20  -6.846   1.654  -6.035
 1402    HE2  LYS  20           HE2      LYS  20  -6.526  -0.346  -8.268
 1403    HE3  LYS  20           HE1      LYS  20  -7.524  -0.587  -6.835
 1404    HZ1  LYS  20           HZ1      LYS  20  -7.884   1.587  -8.827
 1405    HZ2  LYS  20           HZ2      LYS  20  -8.862   1.306  -7.477
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.819   0.180  -8.738
 1407    H    LEU  21           HN       LEU  21  -3.457   3.500  -4.155
 1408    HA   LEU  21           HA       LEU  21  -5.114   1.839  -2.572
 1409    HB2  LEU  21           HB2      LEU  21  -2.529   2.016  -2.741
 1410    HB3  LEU  21           HB1      LEU  21  -2.679   3.347  -1.622
 1411    HG   LEU  21           HG       LEU  21  -3.147   0.434  -1.150
 1412   HD11  LEU  21          HD11      LEU  21  -1.372   2.578  -0.065
 1413   HD12  LEU  21          HD12      LEU  21  -0.944   1.003  -0.730
 1414   HD13  LEU  21          HD13      LEU  21  -1.695   1.115   0.862
 1415   HD21  LEU  21          HD21      LEU  21  -3.921   1.081   1.145
 1416   HD22  LEU  21          HD22      LEU  21  -5.080   1.393  -0.146
 1417   HD23  LEU  21          HD23      LEU  21  -4.144   2.721   0.535
 1418    H    LYS  22           HN       LYS  22  -4.236   5.248  -2.384
 1419    HA   LYS  22           HA       LYS  22  -5.292   5.930   0.063
 1420    HB2  LYS  22           HB2      LYS  22  -4.098   7.604  -1.057
 1421    HB3  LYS  22           HB1      LYS  22  -4.985   7.371  -2.554
 1422    HG2  LYS  22           HG2      LYS  22  -7.006   8.292  -1.266
 1423    HG3  LYS  22           HG1      LYS  22  -5.812   8.852  -0.091
 1424    HD2  LYS  22           HD2      LYS  22  -4.884  10.363  -1.549
 1425    HD3  LYS  22           HD1      LYS  22  -5.367   9.444  -2.976
 1426    HE2  LYS  22           HE2      LYS  22  -7.158  11.088  -1.194
 1427    HE3  LYS  22           HE1      LYS  22  -6.659  11.481  -2.838
 1428    HZ1  LYS  22           HZ1      LYS  22  -7.870   9.593  -3.655
 1429    HZ2  LYS  22           HZ2      LYS  22  -8.909  10.535  -2.710
 1430    HZ3  LYS  22           HZ3      LYS  22  -8.266   9.101  -2.086
 1431    H    GLU  23           HN       GLU  23  -6.864   5.527  -3.055
 1432    HA   GLU  23           HA       GLU  23  -9.455   6.321  -2.207
 1433    HB2  GLU  23           HB2      GLU  23  -8.555   4.605  -4.529
 1434    HB3  GLU  23           HB1      GLU  23 -10.209   5.150  -4.288
 1435    HG2  GLU  23           HG2      GLU  23  -9.540   7.447  -4.527
 1436    HG3  GLU  23           HG1      GLU  23  -7.845   6.979  -4.616
 1437    H    SER  24           HN       SER  24  -7.920   3.105  -2.515
 1438    HA   SER  24           HA       SER  24 -10.172   1.667  -1.777
 1439    HB2  SER  24           HB2      SER  24  -8.673  -0.193  -1.266
 1440    HB3  SER  24           HB1      SER  24  -8.135   0.631  -2.724
 1441    HG   SER  24           HG       SER  24  -7.069   0.917  -0.111
 1442    H    LEU  25           HN       LEU  25  -7.564   2.893   0.342
 1443    HA   LEU  25           HA       LEU  25  -8.642   1.866   2.770
 1444    HB2  LEU  25           HB2      LEU  25  -6.617   3.919   2.036
 1445    HB3  LEU  25           HB1      LEU  25  -7.255   3.929   3.667
 1446    HG   LEU  25           HG       LEU  25  -6.015   1.474   2.433
 1447   HD11  LEU  25          HD11      LEU  25  -4.674   3.501   4.213
 1448   HD12  LEU  25          HD12      LEU  25  -4.426   3.377   2.472
 1449   HD13  LEU  25          HD13      LEU  25  -3.958   2.043   3.526
 1450   HD21  LEU  25          HD21      LEU  25  -7.517   1.272   4.450
 1451   HD22  LEU  25          HD22      LEU  25  -6.323   2.234   5.328
 1452   HD23  LEU  25          HD23      LEU  25  -5.873   0.666   4.655
 1453    H    GLU  26           HN       GLU  26  -8.970   5.023   1.188
 1454    HA   GLU  26           HA       GLU  26 -10.538   6.185   3.243
 1455    HB2  GLU  26           HB2      GLU  26 -10.081   6.863   0.355
 1456    HB3  GLU  26           HB1      GLU  26 -11.251   7.756   1.318
 1457    HG2  GLU  26           HG2      GLU  26  -9.372   8.163   2.966
 1458    HG3  GLU  26           HG1      GLU  26  -8.285   7.554   1.718
 1459    H    LEU  27           HN       LEU  27 -11.380   4.536   0.229
 1460    HA   LEU  27           HA       LEU  27 -14.201   4.854   0.444
 1461    HB2  LEU  27           HB2      LEU  27 -12.417   3.004  -1.100
 1462    HB3  LEU  27           HB1      LEU  27 -14.161   2.823  -1.124
 1463    HG   LEU  27           HG       LEU  27 -12.799   5.404  -1.875
 1464   HD11  LEU  27          HD11      LEU  27 -12.026   3.569  -3.331
 1465   HD12  LEU  27          HD12      LEU  27 -12.991   4.771  -4.184
 1466   HD13  LEU  27          HD13      LEU  27 -13.706   3.221  -3.738
 1467   HD21  LEU  27          HD21      LEU  27 -15.551   4.290  -2.392
 1468   HD22  LEU  27          HD22      LEU  27 -14.932   5.810  -3.037
 1469   HD23  LEU  27          HD23      LEU  27 -15.139   5.609  -1.297
 1470    H    MET  28           HN       MET  28 -11.992   2.408   1.775
 1471    HA   MET  28           HA       MET  28 -13.929   0.565   2.349
 1472    HB2  MET  28           HB2      MET  28 -11.460   0.242   2.730
 1473    HB3  MET  28           HB1      MET  28 -11.613   1.192   4.204
 1474    HG2  MET  28           HG2      MET  28 -13.438  -0.558   4.804
 1475    HG3  MET  28           HG1      MET  28 -12.623  -1.537   3.596
 1476    HE1  MET  28           HE1      MET  28  -9.381  -2.597   5.130
 1477    HE2  MET  28           HE2      MET  28  -9.591  -1.390   3.866
 1478    HE3  MET  28           HE3      MET  28 -10.621  -2.818   3.894
 1479    H    GLU  29           HN       GLU  29 -13.791   3.721   3.590
 1480    HA   GLU  29           HA       GLU  29 -15.218   3.077   6.043
 1481    HB2  GLU  29           HB2      GLU  29 -14.779   5.218   6.726
 1482    HB3  GLU  29           HB1      GLU  29 -13.410   4.933   5.662
 1483    HG2  GLU  29           HG2      GLU  29 -14.655   6.089   3.849
 1484    HG3  GLU  29           HG1      GLU  29 -15.911   6.477   5.023
 1485    H    LEU  30           HN       LEU  30 -15.903   4.031   2.783
 1486    HA   LEU  30           HA       LEU  30 -18.530   5.059   3.486
 1487    HB2  LEU  30           HB2      LEU  30 -18.438   6.217   1.587
 1488    HB3  LEU  30           HB1      LEU  30 -16.746   5.778   1.562
 1489    HG   LEU  30           HG       LEU  30 -18.918   4.272   0.119
 1490   HD11  LEU  30          HD11      LEU  30 -18.617   6.542  -0.765
 1491   HD12  LEU  30          HD12      LEU  30 -18.060   5.316  -1.904
 1492   HD13  LEU  30          HD13      LEU  30 -16.891   6.232  -0.950
 1493   HD21  LEU  30          HD21      LEU  30 -16.962   3.326  -1.123
 1494   HD22  LEU  30          HD22      LEU  30 -17.099   2.809   0.556
 1495   HD23  LEU  30          HD23      LEU  30 -15.926   4.045   0.105
 1496    H    VAL  31           HN       VAL  31 -17.312   2.115   3.257
 1497    HA   VAL  31           HA       VAL  31 -19.619   0.976   1.843
 1498    HB   VAL  31           HB       VAL  31 -17.619  -0.029   1.054
 1499   HG11  VAL  31          HG11      VAL  31 -16.870  -0.484   3.936
 1500   HG12  VAL  31          HG12      VAL  31 -16.097   0.629   2.808
 1501   HG13  VAL  31          HG13      VAL  31 -15.985  -1.111   2.544
 1502   HG21  VAL  31          HG21      VAL  31 -19.182  -1.722   1.179
 1503   HG22  VAL  31          HG22      VAL  31 -19.215  -1.709   2.941
 1504   HG23  VAL  31          HG23      VAL  31 -17.840  -2.406   2.093
 1505    HA   PRO  32           HA       PRO  32 -21.824   0.528   5.672
 1506    HB2  PRO  32           HB2      PRO  32 -22.591  -2.022   4.276
 1507    HB3  PRO  32           HB1      PRO  32 -23.610  -0.899   5.187
 1508    HG2  PRO  32           HG2      PRO  32 -23.542  -0.844   2.513
 1509    HG3  PRO  32           HG1      PRO  32 -23.686   0.643   3.466
 1510    HD2  PRO  32           HD2      PRO  32 -21.394  -0.371   1.904
 1511    HD3  PRO  32           HD1      PRO  32 -21.770   1.290   2.409
 1512    H    GLN  33           HN       GLN  33 -21.042  -0.209   7.544
 1513    HA   GLN  33           HA       GLN  33 -18.819  -1.782   7.868
 1514    HB2  GLN  33           HB2      GLN  33 -19.570  -0.388   9.654
 1515    HB3  GLN  33           HB1      GLN  33 -21.093  -1.258   9.776
 1516    HG2  GLN  33           HG2      GLN  33 -19.696  -1.911  11.595
 1517    HG3  GLN  33           HG1      GLN  33 -19.834  -3.269  10.479
 1518   HE21  GLN  33          HE21      GLN  33 -17.942  -4.212  11.221
 1519   HE22  GLN  33          HE22      GLN  33 -16.381  -3.570  10.851
 1520    HA   PRO  34           HA       PRO  34 -21.711  -5.614   8.947
 1521    HB2  PRO  34           HB2      PRO  34 -23.976  -5.627   7.344
 1522    HB3  PRO  34           HB1      PRO  34 -23.939  -5.211   9.059
 1523    HG2  PRO  34           HG2      PRO  34 -23.942  -3.419   6.671
 1524    HG3  PRO  34           HG1      PRO  34 -24.773  -3.222   8.226
 1525    HD2  PRO  34           HD2      PRO  34 -22.548  -1.853   7.657
 1526    HD3  PRO  34           HD1      PRO  34 -22.856  -2.465   9.295
 1527    H    LEU  35           HN       LEU  35 -21.451  -4.088   5.800
 1528    HA   LEU  35           HA       LEU  35 -21.442  -6.560   4.336
 1529    HB2  LEU  35           HB2      LEU  35 -22.326  -4.483   3.375
 1530    HB3  LEU  35           HB1      LEU  35 -20.755  -3.728   3.534
 1531    HG   LEU  35           HG       LEU  35 -19.839  -5.261   1.880
 1532   HD11  LEU  35          HD11      LEU  35 -22.637  -6.347   1.711
 1533   HD12  LEU  35          HD12      LEU  35 -21.199  -7.212   2.255
 1534   HD13  LEU  35          HD13      LEU  35 -21.339  -6.705   0.571
 1535   HD21  LEU  35          HD21      LEU  35 -21.000  -4.380  -0.071
 1536   HD22  LEU  35          HD22      LEU  35 -20.772  -3.132   1.154
 1537   HD23  LEU  35          HD23      LEU  35 -22.351  -3.891   0.953
 1538    H    VAL  36           HN       VAL  36 -19.098  -4.375   5.728
 1539    HA   VAL  36           HA       VAL  36 -16.803  -5.553   4.430
 1540    HB   VAL  36           HB       VAL  36 -17.002  -3.806   6.899
 1541   HG11  VAL  36          HG11      VAL  36 -15.024  -5.164   7.097
 1542   HG12  VAL  36          HG12      VAL  36 -14.547  -3.527   6.648
 1543   HG13  VAL  36          HG13      VAL  36 -14.563  -4.805   5.433
 1544   HG21  VAL  36          HG21      VAL  36 -17.607  -2.706   4.783
 1545   HG22  VAL  36          HG22      VAL  36 -16.043  -3.167   4.109
 1546   HG23  VAL  36          HG23      VAL  36 -16.122  -2.048   5.471
 1547    H    ASP  37           HN       ASP  37 -18.513  -6.001   7.478
 1548    HA   ASP  37           HA       ASP  37 -16.690  -7.757   8.679
 1549    HB2  ASP  37           HB2      ASP  37 -18.641  -6.759   9.852
 1550    HB3  ASP  37           HB1      ASP  37 -19.714  -7.782   8.902
 1551    H    SER  38           HN       SER  38 -19.428  -8.355   6.458
 1552    HA   SER  38           HA       SER  38 -19.255 -11.138   6.411
 1553    HB2  SER  38           HB2      SER  38 -21.132  -9.906   5.425
 1554    HB3  SER  38           HB1      SER  38 -20.068  -9.265   4.174
 1555    HG   SER  38           HG       SER  38 -21.377 -11.199   3.649
 1556    H    TYR  39           HN       TYR  39 -17.585  -8.735   4.383
 1557    HA   TYR  39           HA       TYR  39 -16.248 -10.550   2.718
 1558    HB2  TYR  39           HB2      TYR  39 -16.154  -8.361   1.953
 1559    HB3  TYR  39           HB1      TYR  39 -15.766  -7.712   3.544
 1560    HD1  TYR  39           HD2      TYR  39 -14.358  -9.614   0.686
 1561    HD2  TYR  39           HD1      TYR  39 -13.532  -7.342   4.185
 1562    HE1  TYR  39           HE2      TYR  39 -11.980  -9.555   0.079
 1563    HE2  TYR  39           HE1      TYR  39 -11.156  -7.277   3.591
 1564    HH   TYR  39           HH       TYR  39  -9.556  -8.501   2.252
 1565    H    ARG  40           HN       ARG  40 -15.303  -9.077   5.788
 1566    HA   ARG  40           HA       ARG  40 -12.719 -10.069   6.004
 1567    HB2  ARG  40           HB2      ARG  40 -14.246  -8.501   7.556
 1568    HB3  ARG  40           HB1      ARG  40 -14.387  -9.997   8.468
 1569    HG2  ARG  40           HG2      ARG  40 -12.032 -10.105   8.801
 1570    HG3  ARG  40           HG1      ARG  40 -11.758  -8.769   7.680
 1571    HD2  ARG  40           HD2      ARG  40 -13.103  -7.321   9.218
 1572    HD3  ARG  40           HD1      ARG  40 -13.116  -8.658  10.368
 1573    HE   ARG  40           HE       ARG  40 -10.491  -7.849   9.474
 1574   HH11  ARG  40          HH11      ARG  40 -13.004  -7.422  11.853
 1575   HH12  ARG  40          HH12      ARG  40 -11.934  -6.779  13.053
 1576   HH21  ARG  40          HH21      ARG  40  -9.078  -7.004  11.050
 1577   HH22  ARG  40          HH22      ARG  40  -9.704  -6.542  12.597
 1578    H    GLN  41           HN       GLN  41 -15.790 -11.623   6.633
 1579    HA   GLN  41           HA       GLN  41 -14.802 -13.966   7.889
 1580    HB2  GLN  41           HB2      GLN  41 -17.194 -13.227   7.860
 1581    HB3  GLN  41           HB1      GLN  41 -17.269 -13.706   6.169
 1582    HG2  GLN  41           HG2      GLN  41 -18.190 -15.467   7.458
 1583    HG3  GLN  41           HG1      GLN  41 -16.617 -15.999   6.866
 1584   HE21  GLN  41          HE21      GLN  41 -16.407 -17.539   8.480
 1585   HE22  GLN  41          HE22      GLN  41 -16.072 -17.115  10.121
 1586    H    GLN  42           HN       GLN  42 -15.662 -13.297   4.496
 1587    HA   GLN  42           HA       GLN  42 -14.868 -15.802   3.492
 1588    HB2  GLN  42           HB2      GLN  42 -16.293 -14.217   2.247
 1589    HB3  GLN  42           HB1      GLN  42 -14.921 -13.133   2.069
 1590    HG2  GLN  42           HG2      GLN  42 -13.751 -14.792   0.741
 1591    HG3  GLN  42           HG1      GLN  42 -15.084 -15.926   0.959
 1592   HE21  GLN  42          HE21      GLN  42 -13.942 -14.789  -1.485
 1593   HE22  GLN  42          HE22      GLN  42 -15.251 -14.015  -2.304
 1594    H    GLN  43           HN       GLN  43 -13.087 -12.981   4.386
 1595    HA   GLN  43           HA       GLN  43 -10.692 -13.645   2.952
 1596    HB2  GLN  43           HB2      GLN  43 -10.835 -11.369   3.342
 1597    HB3  GLN  43           HB1      GLN  43 -11.497 -11.578   4.955
 1598    HG2  GLN  43           HG2      GLN  43  -8.701 -12.451   4.465
 1599    HG3  GLN  43           HG1      GLN  43  -9.039 -10.723   4.553
 1600   HE21  GLN  43          HE21      GLN  43  -7.494 -12.410   6.358
 1601   HE22  GLN  43          HE22      GLN  43  -8.222 -12.245   7.914
 1602    H    GLN  44           HN       GLN  44 -11.824 -13.966   6.289
 1603    HA   GLN  44           HA       GLN  44  -9.433 -15.007   7.357
 1604    HB2  GLN  44           HB2      GLN  44 -11.328 -14.093   8.703
 1605    HB3  GLN  44           HB1      GLN  44 -12.257 -15.531   8.303
 1606    HG2  GLN  44           HG2      GLN  44 -11.462 -16.179  10.316
 1607    HG3  GLN  44           HG1      GLN  44 -10.127 -16.736   9.310
 1608   HE21  GLN  44          HE21      GLN  44  -9.215 -13.959   8.835
 1609   HE22  GLN  44          HE22      GLN  44  -8.423 -13.484  10.292
 1610    H    LEU  45           HN       LEU  45 -11.919 -16.380   5.420
 1611    HA   LEU  45           HA       LEU  45 -11.765 -19.080   6.058
 1612    HB2  LEU  45           HB2      LEU  45 -13.446 -18.266   4.550
 1613    HB3  LEU  45           HB1      LEU  45 -12.232 -17.717   3.410
 1614    HG   LEU  45           HG       LEU  45 -11.668 -20.391   3.574
 1615   HD11  LEU  45          HD11      LEU  45 -13.806 -21.564   3.338
 1616   HD12  LEU  45          HD12      LEU  45 -14.659 -20.075   3.746
 1617   HD13  LEU  45          HD13      LEU  45 -13.616 -20.848   4.939
 1618   HD21  LEU  45          HD21      LEU  45 -11.756 -19.141   1.522
 1619   HD22  LEU  45          HD22      LEU  45 -13.501 -18.936   1.672
 1620   HD23  LEU  45          HD23      LEU  45 -12.822 -20.538   1.383
 1621    H    LEU  46           HN       LEU  46  -9.828 -17.245   3.699
 1622    HA   LEU  46           HA       LEU  46  -8.020 -19.549   3.504
 1623    HB2  LEU  46           HB2      LEU  46  -8.279 -17.178   1.660
 1624    HB3  LEU  46           HB1      LEU  46  -7.227 -18.560   1.416
 1625    HG   LEU  46           HG       LEU  46  -9.960 -19.411   1.785
 1626   HD11  LEU  46          HD11      LEU  46 -10.937 -17.618   0.814
 1627   HD12  LEU  46          HD12      LEU  46 -10.454 -18.461  -0.658
 1628   HD13  LEU  46          HD13      LEU  46  -9.473 -17.135  -0.035
 1629   HD21  LEU  46          HD21      LEU  46  -8.346 -20.863   0.822
 1630   HD22  LEU  46          HD22      LEU  46  -7.911 -19.674  -0.404
 1631   HD23  LEU  46          HD23      LEU  46  -9.494 -20.451  -0.452
 1632    H    GLN  47           HN       GLN  47  -7.411 -16.097   2.923
 1633    HA   GLN  47           HA       GLN  47  -5.734 -14.725   3.620
 1634    HB2  GLN  47           HB2      GLN  47  -6.959 -15.562   5.863
 1635    HB3  GLN  47           HB1      GLN  47  -5.354 -16.213   6.163
 1636    HG2  GLN  47           HG2      GLN  47  -5.929 -13.335   5.511
 1637    HG3  GLN  47           HG1      GLN  47  -5.738 -13.974   7.142
 1638   HE21  GLN  47          HE21      GLN  47  -4.142 -13.158   4.170
 1639   HE22  GLN  47          HE22      GLN  47  -2.526 -13.258   4.772
 1640    H    ARG  48           HN       ARG  48  -5.095 -17.150   2.164
 1641    HA   ARG  48           HA       ARG  48  -2.262 -17.305   2.855
 1642    HB2  ARG  48           HB2      ARG  48  -4.058 -19.697   2.451
 1643    HB3  ARG  48           HB1      ARG  48  -2.302 -19.779   2.420
 1644    HG2  ARG  48           HG2      ARG  48  -2.196 -19.036   4.715
 1645    HG3  ARG  48           HG1      ARG  48  -3.952 -18.853   4.756
 1646    HD2  ARG  48           HD2      ARG  48  -3.229 -20.948   5.809
 1647    HD3  ARG  48           HD1      ARG  48  -4.230 -21.239   4.386
 1648    HE   ARG  48           HE       ARG  48  -1.434 -21.243   3.784
 1649   HH11  ARG  48          HH11      ARG  48  -4.061 -23.176   5.015
 1650   HH12  ARG  48          HH12      ARG  48  -3.328 -24.681   4.573
 1651   HH21  ARG  48          HH21      ARG  48  -0.464 -23.220   3.200
 1652   HH22  ARG  48          HH22      ARG  48  -1.284 -24.707   3.542
  Start of MODEL    9
    1    H    ASP   1           HT1      ASP   1  -5.898 -14.662 -16.389
    2    HA   ASP   1           HA       ASP   1  -6.452 -15.904 -13.758
    3    HB2  ASP   1           HB2      ASP   1  -3.819 -15.150 -15.051
    4    HB3  ASP   1           HB1      ASP   1  -4.020 -15.811 -13.431
    5    H    GLU   2           HN       GLU   2  -7.329 -14.353 -12.546
    6    HA   GLU   2           HA       GLU   2  -5.850 -11.990 -11.943
    7    HB2  GLU   2           HB2      GLU   2  -7.534 -10.349 -12.656
    8    HB3  GLU   2           HB1      GLU   2  -6.862 -11.220 -14.028
    9    HG2  GLU   2           HG2      GLU   2  -8.852 -12.656 -14.070
   10    HG3  GLU   2           HG1      GLU   2  -9.526 -11.737 -12.725
   11    H    ASP   3           HN       ASP   3  -7.598 -14.413 -10.967
   12    HA   ASP   3           HA       ASP   3  -9.501 -13.140  -9.229
   13    HB2  ASP   3           HB2      ASP   3  -9.814 -15.419  -8.300
   14    HB3  ASP   3           HB1      ASP   3  -9.965 -15.377 -10.053
   15    H    THR   4           HN       THR   4  -8.717 -15.098  -6.990
   16    HA   THR   4           HA       THR   4  -7.164 -13.209  -5.534
   17    HB   THR   4           HB       THR   4  -7.316 -15.888  -4.386
   18    HG1  THR   4           HG1      THR   4  -9.298 -15.878  -5.519
   19   HG21  THR   4          HG21      THR   4  -6.671 -13.925  -3.082
   20   HG22  THR   4          HG22      THR   4  -8.160 -14.629  -2.449
   21   HG23  THR   4          HG23      THR   4  -8.224 -13.169  -3.442
   22    H    TYR   5           HN       TYR   5  -5.147 -13.332  -4.796
   23    HA   TYR   5           HA       TYR   5  -3.336 -15.219  -6.149
   24    HB2  TYR   5           HB2      TYR   5  -3.126 -12.261  -5.777
   25    HB3  TYR   5           HB1      TYR   5  -1.722 -13.270  -6.113
   26    HD1  TYR   5           HD1      TYR   5  -1.744 -14.683  -8.223
   27    HD2  TYR   5           HD2      TYR   5  -4.530 -11.551  -7.513
   28    HE1  TYR   5           HE1      TYR   5  -2.231 -14.580 -10.629
   29    HE2  TYR   5           HE2      TYR   5  -5.025 -11.437  -9.916
   30    HH   TYR   5           HH       TYR   5  -4.026 -13.839 -12.110
   31    H    TYR   6           HN       TYR   6  -1.202 -15.434  -4.882
   32    HA   TYR   6           HA       TYR   6  -1.625 -14.747  -2.060
   33    HB2  TYR   6           HB2      TYR   6   0.295 -16.870  -3.026
   34    HB3  TYR   6           HB1      TYR   6  -0.357 -16.654  -1.408
   35    HD1  TYR   6           HD2      TYR   6  -3.245 -16.294  -2.094
   36    HD2  TYR   6           HD1      TYR   6  -0.372 -19.080  -3.528
   37    HE1  TYR   6           HE2      TYR   6  -5.051 -17.881  -2.579
   38    HE2  TYR   6           HE1      TYR   6  -2.170 -20.684  -4.026
   39    HH   TYR   6           HH       TYR   6  -5.445 -19.823  -4.062
   40    H    LEU   7           HN       LEU   7  -0.340 -13.416  -1.090
   41    HA   LEU   7           HA       LEU   7   2.071 -12.447  -2.500
   42    HB2  LEU   7           HB2      LEU   7  -0.223 -11.143  -1.737
   43    HB3  LEU   7           HB1      LEU   7   0.830 -10.848  -0.382
   44    HG   LEU   7           HG       LEU   7   2.163  -9.417  -1.550
   45   HD11  LEU   7          HD11      LEU   7   3.126 -10.078  -3.411
   46   HD12  LEU   7          HD12      LEU   7   1.662  -9.595  -4.266
   47   HD13  LEU   7          HD13      LEU   7   1.857 -11.258  -3.716
   48   HD21  LEU   7          HD21      LEU   7   0.748  -7.883  -2.637
   49   HD22  LEU   7          HD22      LEU   7  -0.264  -8.739  -1.467
   50   HD23  LEU   7          HD23      LEU   7  -0.340  -9.164  -3.178
   51    H    GLN   8           HN       GLN   8   3.803 -13.496  -1.505
   52    HA   GLN   8           HA       GLN   8   3.710 -13.948   1.295
   53    HB2  GLN   8           HB2      GLN   8   5.063 -15.107  -0.749
   54    HB3  GLN   8           HB1      GLN   8   6.330 -14.138  -0.011
   55    HG2  GLN   8           HG2      GLN   8   5.491 -15.202   2.198
   56    HG3  GLN   8           HG1      GLN   8   4.785 -16.410   1.128
   57   HE21  GLN   8          HE21      GLN   8   7.084 -15.985  -0.782
   58   HE22  GLN   8          HE22      GLN   8   8.390 -16.867  -0.081
   59    H    VAL   9           HN       VAL   9   4.058 -12.503   2.783
   60    HA   VAL   9           HA       VAL   9   5.893 -10.329   2.133
   61    HB   VAL   9           HB       VAL   9   3.298 -10.225   3.653
   62   HG11  VAL   9          HG11      VAL   9   3.832  -7.837   4.124
   63   HG12  VAL   9          HG12      VAL   9   5.495  -8.173   3.638
   64   HG13  VAL   9          HG13      VAL   9   4.795  -9.003   5.029
   65   HG21  VAL   9          HG21      VAL   9   4.332  -8.616   1.325
   66   HG22  VAL   9          HG22      VAL   9   2.725  -8.503   2.045
   67   HG23  VAL   9          HG23      VAL   9   3.220  -9.980   1.217
   68    H    ARG  10           HN       ARG  10   7.560  -9.993   3.495
   69    HA   ARG  10           HA       ARG  10   7.670 -11.740   5.853
   70    HB2  ARG  10           HB2      ARG  10   9.485 -11.720   3.974
   71    HB3  ARG  10           HB1      ARG  10  10.032 -10.241   4.751
   72    HG2  ARG  10           HG2      ARG  10   9.647 -12.708   6.382
   73    HG3  ARG  10           HG1      ARG  10  11.093 -12.525   5.388
   74    HD2  ARG  10           HD2      ARG  10  11.589 -10.405   6.516
   75    HD3  ARG  10           HD1      ARG  10  10.149 -10.602   7.513
   76    HE   ARG  10           HE       ARG  10  11.770 -12.874   7.799
   77   HH11  ARG  10          HH11      ARG  10  11.748  -9.486   8.618
   78   HH12  ARG  10          HH12      ARG  10  12.726  -9.691  10.033
   79   HH21  ARG  10          HH21      ARG  10  13.057 -13.151   9.659
   80   HH22  ARG  10          HH22      ARG  10  13.470 -11.773  10.624
   81    H    GLY  11           HN       GLY  11   8.042 -11.001   7.858
   82    HA2  GLY  11           HA2      GLY  11   8.492  -9.388   9.515
   83    HA3  GLY  11           HA1      GLY  11   8.512  -8.147   8.269
   84    H    ARG  12           HN       ARG  12   6.899  -9.092  10.901
   85    HA   ARG  12           HA       ARG  12   4.203  -9.117  10.288
   86    HB2  ARG  12           HB2      ARG  12   5.421  -9.430  12.560
   87    HB3  ARG  12           HB1      ARG  12   5.217  -7.691  12.727
   88    HG2  ARG  12           HG2      ARG  12   3.403  -8.679  13.852
   89    HG3  ARG  12           HG1      ARG  12   2.756  -8.064  12.330
   90    HD2  ARG  12           HD2      ARG  12   2.982 -10.335  11.368
   91    HD3  ARG  12           HD1      ARG  12   3.507 -10.918  12.947
   92    HE   ARG  12           HE       ARG  12   0.882  -9.633  12.659
   93   HH11  ARG  12          HH11      ARG  12   2.819 -12.428  13.424
   94   HH12  ARG  12          HH12      ARG  12   1.492 -13.326  14.079
   95   HH21  ARG  12          HH21      ARG  12  -0.867 -10.808  13.524
   96   HH22  ARG  12          HH22      ARG  12  -0.602 -12.406  14.137
   97    H    GLU  13           HN       GLU  13   6.169  -6.195  10.955
   98    HA   GLU  13           HA       GLU  13   4.130  -4.355  10.843
   99    HB2  GLU  13           HB2      GLU  13   6.405  -3.777  11.497
  100    HB3  GLU  13           HB1      GLU  13   6.968  -4.039   9.853
  101    HG2  GLU  13           HG2      GLU  13   5.815  -2.134   9.053
  102    HG3  GLU  13           HG1      GLU  13   4.904  -1.973  10.555
  103    H    ASN  14           HN       ASN  14   6.015  -5.631   8.111
  104    HA   ASN  14           HA       ASN  14   4.746  -4.045   6.115
  105    HB2  ASN  14           HB2      ASN  14   6.119  -6.705   5.742
  106    HB3  ASN  14           HB1      ASN  14   5.873  -5.445   4.537
  107   HD21  ASN  14          HD21      ASN  14   8.347  -6.660   5.373
  108   HD22  ASN  14          HD22      ASN  14   9.342  -5.389   5.986
  109    H    PHE  15           HN       PHE  15   4.225  -7.365   7.270
  110    HA   PHE  15           HA       PHE  15   2.247  -8.138   5.472
  111    HB2  PHE  15           HB2      PHE  15   3.405  -9.659   7.034
  112    HB3  PHE  15           HB1      PHE  15   2.517  -8.942   8.375
  113    HD1  PHE  15           HD2      PHE  15   1.342  -9.947   4.976
  114    HD2  PHE  15           HD1      PHE  15   1.140 -10.604   9.185
  115    HE1  PHE  15           HE2      PHE  15  -0.461 -11.560   4.633
  116    HE2  PHE  15           HE1      PHE  15  -0.693 -12.218   8.834
  117    HZ   PHE  15           HZ       PHE  15  -1.491 -12.691   6.547
  118    H    GLU  16           HN       GLU  16   1.902  -6.525   8.631
  119    HA   GLU  16           HA       GLU  16  -0.945  -6.414   8.647
  120    HB2  GLU  16           HB2      GLU  16   1.093  -4.647  10.011
  121    HB3  GLU  16           HB1      GLU  16  -0.629  -4.662  10.362
  122    HG2  GLU  16           HG2      GLU  16  -0.460  -6.998  11.069
  123    HG3  GLU  16           HG1      GLU  16   1.271  -6.966  10.736
  124    H    ILE  17           HN       ILE  17   1.469  -4.019   7.556
  125    HA   ILE  17           HA       ILE  17  -0.442  -2.045   6.922
  126    HB   ILE  17           HB       ILE  17   2.398  -2.498   6.338
  127   HG12  ILE  17          HG12      ILE  17   0.966   0.109   6.747
  128   HG13  ILE  17          HG11      ILE  17   1.233  -0.989   8.094
  129   HG21  ILE  17          HG21      ILE  17   2.508  -0.790   4.575
  130   HG22  ILE  17          HG22      ILE  17   0.744  -0.763   4.508
  131   HG23  ILE  17          HG23      ILE  17   1.622  -2.224   4.049
  132   HD11  ILE  17          HD11      ILE  17   3.654  -0.865   7.644
  133   HD12  ILE  17          HD12      ILE  17   2.936   0.699   8.040
  134   HD13  ILE  17          HD13      ILE  17   3.317   0.302   6.365
  135    H    LEU  18           HN       LEU  18   0.913  -4.736   5.019
  136    HA   LEU  18           HA       LEU  18  -0.440  -3.987   2.604
  137    HB2  LEU  18           HB2      LEU  18   1.146  -6.351   3.537
  138    HB3  LEU  18           HB1      LEU  18   0.248  -6.407   2.033
  139    HG   LEU  18           HG       LEU  18   2.058  -4.090   2.382
  140   HD11  LEU  18          HD11      LEU  18   3.278  -6.137   3.277
  141   HD12  LEU  18          HD12      LEU  18   4.048  -5.258   1.956
  142   HD13  LEU  18          HD13      LEU  18   3.192  -6.762   1.631
  143   HD21  LEU  18          HD21      LEU  18   0.796  -4.329   0.350
  144   HD22  LEU  18          HD22      LEU  18   1.384  -5.977   0.131
  145   HD23  LEU  18          HD23      LEU  18   2.499  -4.617  -0.001
  146    H    MET  19           HN       MET  19  -1.033  -6.221   5.292
  147    HA   MET  19           HA       MET  19  -3.157  -7.602   4.096
  148    HB2  MET  19           HB2      MET  19  -1.854  -7.997   6.403
  149    HB3  MET  19           HB1      MET  19  -3.240  -7.140   7.054
  150    HG2  MET  19           HG2      MET  19  -3.294  -9.711   5.485
  151    HG3  MET  19           HG1      MET  19  -3.563  -9.521   7.212
  152    HE1  MET  19           HE1      MET  19  -6.938 -10.525   5.242
  153    HE2  MET  19           HE2      MET  19  -5.833 -11.099   6.490
  154    HE3  MET  19           HE3      MET  19  -5.266 -10.912   4.828
  155    H    LYS  20           HN       LYS  20  -3.279  -4.777   6.279
  156    HA   LYS  20           HA       LYS  20  -6.036  -4.327   6.198
  157    HB2  LYS  20           HB2      LYS  20  -4.808  -2.935   7.645
  158    HB3  LYS  20           HB1      LYS  20  -3.718  -2.420   6.361
  159    HG2  LYS  20           HG2      LYS  20  -5.025  -0.667   5.946
  160    HG3  LYS  20           HG1      LYS  20  -6.367  -1.745   5.582
  161    HD2  LYS  20           HD2      LYS  20  -7.027  -1.789   7.869
  162    HD3  LYS  20           HD1      LYS  20  -5.605  -0.857   8.342
  163    HE2  LYS  20           HE2      LYS  20  -7.448   0.645   8.288
  164    HE3  LYS  20           HE1      LYS  20  -6.445   0.991   6.883
  165    HZ1  LYS  20           HZ1      LYS  20  -7.987  -0.409   5.567
  166    HZ2  LYS  20           HZ2      LYS  20  -8.714   0.978   6.205
  167    HZ3  LYS  20           HZ3      LYS  20  -8.994  -0.528   6.922
  168    H    LEU  21           HN       LEU  21  -3.463  -3.454   4.007
  169    HA   LEU  21           HA       LEU  21  -5.036  -1.853   2.297
  170    HB2  LEU  21           HB2      LEU  21  -2.442  -2.067   2.541
  171    HB3  LEU  21           HB1      LEU  21  -2.602  -3.394   1.413
  172    HG   LEU  21           HG       LEU  21  -2.965  -0.474   0.960
  173   HD11  LEU  21          HD11      LEU  21  -0.837  -1.818   0.558
  174   HD12  LEU  21          HD12      LEU  21  -1.407  -0.764  -0.735
  175   HD13  LEU  21          HD13      LEU  21  -1.689  -2.501  -0.826
  176   HD21  LEU  21          HD21      LEU  21  -4.149  -2.653  -0.746
  177   HD22  LEU  21          HD22      LEU  21  -3.939  -0.977  -1.256
  178   HD23  LEU  21          HD23      LEU  21  -5.018  -1.363   0.084
  179    H    LYS  22           HN       LYS  22  -4.143  -5.271   2.189
  180    HA   LYS  22           HA       LYS  22  -5.243  -5.936  -0.250
  181    HB2  LYS  22           HB2      LYS  22  -4.062  -7.677   0.656
  182    HB3  LYS  22           HB1      LYS  22  -4.602  -7.334   2.290
  183    HG2  LYS  22           HG2      LYS  22  -6.851  -8.280   1.577
  184    HG3  LYS  22           HG1      LYS  22  -6.010  -8.881   0.145
  185    HD2  LYS  22           HD2      LYS  22  -4.652 -10.304   1.386
  186    HD3  LYS  22           HD1      LYS  22  -4.932  -9.418   2.886
  187    HE2  LYS  22           HE2      LYS  22  -6.824 -11.249   1.435
  188    HE3  LYS  22           HE1      LYS  22  -6.131 -11.457   3.040
  189    HZ1  LYS  22           HZ1      LYS  22  -8.459 -10.702   3.073
  190    HZ2  LYS  22           HZ2      LYS  22  -8.000  -9.277   2.288
  191    HZ3  LYS  22           HZ3      LYS  22  -7.414  -9.613   3.838
  192    H    GLU  23           HN       GLU  23  -6.698  -5.557   2.926
  193    HA   GLU  23           HA       GLU  23  -9.317  -6.369   2.169
  194    HB2  GLU  23           HB2      GLU  23  -8.359  -4.646   4.464
  195    HB3  GLU  23           HB1      GLU  23 -10.009  -5.224   4.280
  196    HG2  GLU  23           HG2      GLU  23  -9.294  -7.504   4.510
  197    HG3  GLU  23           HG1      GLU  23  -7.604  -7.013   4.515
  198    H    SER  24           HN       SER  24  -7.797  -3.139   2.464
  199    HA   SER  24           HA       SER  24 -10.068  -1.717   1.747
  200    HB2  SER  24           HB2      SER  24  -8.580   0.151   1.196
  201    HB3  SER  24           HB1      SER  24  -8.045  -0.649   2.670
  202    HG   SER  24           HG       SER  24  -6.233  -0.438   1.488
  203    H    LEU  25           HN       LEU  25  -7.500  -2.979  -0.377
  204    HA   LEU  25           HA       LEU  25  -8.551  -1.973  -2.816
  205    HB2  LEU  25           HB2      LEU  25  -6.604  -4.117  -2.071
  206    HB3  LEU  25           HB1      LEU  25  -7.189  -4.017  -3.720
  207    HG   LEU  25           HG       LEU  25  -5.861  -1.710  -2.300
  208   HD11  LEU  25          HD11      LEU  25  -3.880  -2.304  -3.691
  209   HD12  LEU  25          HD12      LEU  25  -4.674  -3.832  -4.075
  210   HD13  LEU  25          HD13      LEU  25  -4.239  -3.458  -2.408
  211   HD21  LEU  25          HD21      LEU  25  -5.695  -0.710  -4.430
  212   HD22  LEU  25          HD22      LEU  25  -7.357  -1.290  -4.298
  213   HD23  LEU  25          HD23      LEU  25  -6.177  -2.196  -5.249
  214    H    GLU  26           HN       GLU  26  -8.921  -5.107  -1.196
  215    HA   GLU  26           HA       GLU  26 -10.510  -6.262  -3.236
  216    HB2  GLU  26           HB2      GLU  26 -10.086  -6.935  -0.335
  217    HB3  GLU  26           HB1      GLU  26 -11.211  -7.842  -1.336
  218    HG2  GLU  26           HG2      GLU  26  -9.277  -8.225  -2.922
  219    HG3  GLU  26           HG1      GLU  26  -8.237  -7.592  -1.647
  220    H    LEU  27           HN       LEU  27 -11.306  -4.592  -0.219
  221    HA   LEU  27           HA       LEU  27 -14.129  -4.881  -0.385
  222    HB2  LEU  27           HB2      LEU  27 -12.295  -3.039   1.105
  223    HB3  LEU  27           HB1      LEU  27 -14.033  -2.806   1.140
  224    HG   LEU  27           HG       LEU  27 -12.712  -5.393   1.951
  225   HD11  LEU  27          HD11      LEU  27 -11.934  -3.583   3.401
  226   HD12  LEU  27          HD12      LEU  27 -13.007  -4.688   4.256
  227   HD13  LEU  27          HD13      LEU  27 -13.606  -3.120   3.716
  228   HD21  LEU  27          HD21      LEU  27 -15.051  -5.584   1.330
  229   HD22  LEU  27          HD22      LEU  27 -15.466  -4.262   2.421
  230   HD23  LEU  27          HD23      LEU  27 -14.858  -5.784   3.072
  231    H    MET  28           HN       MET  28 -11.924  -2.443  -1.750
  232    HA   MET  28           HA       MET  28 -13.846  -0.591  -2.310
  233    HB2  MET  28           HB2      MET  28 -11.357  -0.331  -2.718
  234    HB3  MET  28           HB1      MET  28 -11.574  -1.229  -4.215
  235    HG2  MET  28           HG2      MET  28 -13.363   0.596  -4.708
  236    HG3  MET  28           HG1      MET  28 -12.477   1.512  -3.500
  237    HE1  MET  28           HE1      MET  28  -9.396   1.384  -3.952
  238    HE2  MET  28           HE2      MET  28 -10.528   2.721  -3.777
  239    HE3  MET  28           HE3      MET  28  -9.388   2.698  -5.124
  240    H    GLU  29           HN       GLU  29 -13.764  -3.744  -3.539
  241    HA   GLU  29           HA       GLU  29 -15.197  -3.094  -5.987
  242    HB2  GLU  29           HB2      GLU  29 -14.805  -5.252  -6.654
  243    HB3  GLU  29           HB1      GLU  29 -13.420  -4.976  -5.609
  244    HG2  GLU  29           HG2      GLU  29 -14.646  -6.104  -3.773
  245    HG3  GLU  29           HG1      GLU  29 -15.938  -6.469  -4.914
  246    H    LEU  30           HN       LEU  30 -15.892  -4.039  -2.713
  247    HA   LEU  30           HA       LEU  30 -18.533  -5.032  -3.411
  248    HB2  LEU  30           HB2      LEU  30 -18.474  -6.171  -1.496
  249    HB3  LEU  30           HB1      LEU  30 -16.771  -5.773  -1.482
  250    HG   LEU  30           HG       LEU  30 -18.892  -4.184  -0.048
  251   HD11  LEU  30          HD11      LEU  30 -16.965  -6.243   1.012
  252   HD12  LEU  30          HD12      LEU  30 -18.714  -6.427   0.883
  253   HD13  LEU  30          HD13      LEU  30 -18.032  -5.234   1.988
  254   HD21  LEU  30          HD21      LEU  30 -16.882  -3.322   1.190
  255   HD22  LEU  30          HD22      LEU  30 -17.032  -2.787  -0.482
  256   HD23  LEU  30          HD23      LEU  30 -15.894  -4.067  -0.062
  257    H    VAL  31           HN       VAL  31 -17.309  -2.087  -3.225
  258    HA   VAL  31           HA       VAL  31 -19.573  -0.947  -1.749
  259    HB   VAL  31           HB       VAL  31 -17.521   0.056  -1.058
  260   HG11  VAL  31          HG11      VAL  31 -15.970   1.143  -2.594
  261   HG12  VAL  31          HG12      VAL  31 -16.957   0.629  -3.963
  262   HG13  VAL  31          HG13      VAL  31 -16.138  -0.573  -2.965
  263   HG21  VAL  31          HG21      VAL  31 -19.079   1.741  -1.041
  264   HG22  VAL  31          HG22      VAL  31 -19.295   1.711  -2.790
  265   HG23  VAL  31          HG23      VAL  31 -17.852   2.441  -2.095
  266    HA   PRO  32           HA       PRO  32 -21.906  -0.539  -5.504
  267    HB2  PRO  32           HB2      PRO  32 -22.670   1.999  -4.087
  268    HB3  PRO  32           HB1      PRO  32 -23.699   0.855  -4.958
  269    HG2  PRO  32           HG2      PRO  32 -23.547   0.813  -2.290
  270    HG3  PRO  32           HG1      PRO  32 -23.684  -0.684  -3.230
  271    HD2  PRO  32           HD2      PRO  32 -21.363   0.406  -1.758
  272    HD3  PRO  32           HD1      PRO  32 -21.725  -1.271  -2.214
  273    H    GLN  33           HN       GLN  33 -21.240   0.235  -7.401
  274    HA   GLN  33           HA       GLN  33 -19.045   1.796  -7.841
  275    HB2  GLN  33           HB2      GLN  33 -20.112   0.433  -9.568
  276    HB3  GLN  33           HB1      GLN  33 -21.465   1.553  -9.633
  277    HG2  GLN  33           HG2      GLN  33 -19.968   3.318 -10.416
  278    HG3  GLN  33           HG1      GLN  33 -18.611   2.194 -10.348
  279   HE21  GLN  33          HE21      GLN  33 -21.530   3.075 -12.016
  280   HE22  GLN  33          HE22      GLN  33 -21.254   2.118 -13.427
  281    HA   PRO  34           HA       PRO  34 -22.043   5.689  -8.419
  282    HB2  PRO  34           HB2      PRO  34 -23.861   5.024  -6.157
  283    HB3  PRO  34           HB1      PRO  34 -24.212   5.841  -7.684
  284    HG2  PRO  34           HG2      PRO  34 -24.956   3.319  -7.311
  285    HG3  PRO  34           HG1      PRO  34 -24.313   3.849  -8.877
  286    HD2  PRO  34           HD2      PRO  34 -22.975   2.287  -6.707
  287    HD3  PRO  34           HD1      PRO  34 -22.858   2.099  -8.468
  288    H    LEU  35           HN       LEU  35 -21.249   4.126  -5.350
  289    HA   LEU  35           HA       LEU  35 -20.934   6.600  -3.917
  290    HB2  LEU  35           HB2      LEU  35 -20.700   3.714  -3.326
  291    HB3  LEU  35           HB1      LEU  35 -19.655   4.761  -2.390
  292    HG   LEU  35           HG       LEU  35 -22.523   5.498  -2.563
  293   HD11  LEU  35          HD11      LEU  35 -21.509   3.291  -0.778
  294   HD12  LEU  35          HD12      LEU  35 -22.560   3.065  -2.176
  295   HD13  LEU  35          HD13      LEU  35 -23.133   3.978  -0.780
  296   HD21  LEU  35          HD21      LEU  35 -20.469   5.546  -0.352
  297   HD22  LEU  35          HD22      LEU  35 -22.107   6.197  -0.253
  298   HD23  LEU  35          HD23      LEU  35 -20.940   6.912  -1.366
  299    H    VAL  36           HN       VAL  36 -18.869   4.378  -5.657
  300    HA   VAL  36           HA       VAL  36 -16.412   5.496  -4.679
  301    HB   VAL  36           HB       VAL  36 -17.003   3.732  -7.062
  302   HG11  VAL  36          HG11      VAL  36 -15.093   5.078  -7.651
  303   HG12  VAL  36          HG12      VAL  36 -14.543   3.451  -7.251
  304   HG13  VAL  36          HG13      VAL  36 -14.340   4.761  -6.088
  305   HG21  VAL  36          HG21      VAL  36 -17.227   2.656  -4.886
  306   HG22  VAL  36          HG22      VAL  36 -15.606   3.194  -4.440
  307   HG23  VAL  36          HG23      VAL  36 -15.821   2.030  -5.748
  308    H    ASP  37           HN       ASP  37 -18.457   6.012  -7.502
  309    HA   ASP  37           HA       ASP  37 -16.773   7.791  -8.872
  310    HB2  ASP  37           HB2      ASP  37 -18.838   6.805  -9.839
  311    HB3  ASP  37           HB1      ASP  37 -19.801   7.801  -8.750
  312    H    SER  38           HN       SER  38 -19.334   8.372  -6.455
  313    HA   SER  38           HA       SER  38 -19.131  11.148  -6.397
  314    HB2  SER  38           HB2      SER  38 -19.992   9.167  -4.291
  315    HB3  SER  38           HB1      SER  38 -20.135  10.913  -4.079
  316    HG   SER  38           HG       SER  38 -21.714  10.972  -5.511
  317    H    TYR  39           HN       TYR  39 -17.423   8.723  -4.417
  318    HA   TYR  39           HA       TYR  39 -16.059  10.531  -2.763
  319    HB2  TYR  39           HB2      TYR  39 -15.971   8.332  -2.006
  320    HB3  TYR  39           HB1      TYR  39 -15.567   7.694  -3.598
  321    HD1  TYR  39           HD2      TYR  39 -14.215   9.520  -0.681
  322    HD2  TYR  39           HD1      TYR  39 -13.303   7.462  -4.288
  323    HE1  TYR  39           HE2      TYR  39 -11.835   9.521  -0.075
  324    HE2  TYR  39           HE1      TYR  39 -10.929   7.463  -3.701
  325    HH   TYR  39           HH       TYR  39  -9.377   8.738  -2.284
  326    H    ARG  40           HN       ARG  40 -15.122   9.016  -5.822
  327    HA   ARG  40           HA       ARG  40 -12.539  10.018  -6.013
  328    HB2  ARG  40           HB2      ARG  40 -14.559   9.215  -8.078
  329    HB3  ARG  40           HB1      ARG  40 -12.978   9.832  -8.544
  330    HG2  ARG  40           HG2      ARG  40 -11.938   8.049  -7.170
  331    HG3  ARG  40           HG1      ARG  40 -13.551   7.394  -6.880
  332    HD2  ARG  40           HD2      ARG  40 -12.509   6.189  -8.680
  333    HD3  ARG  40           HD1      ARG  40 -13.849   7.144  -9.309
  334    HE   ARG  40           HE       ARG  40 -11.374   8.538  -9.505
  335   HH11  ARG  40          HH11      ARG  40 -13.303   6.051 -10.999
  336   HH12  ARG  40          HH12      ARG  40 -12.606   6.273 -12.569
  337   HH21  ARG  40          HH21      ARG  40 -10.448   8.835 -11.569
  338   HH22  ARG  40          HH22      ARG  40 -10.983   7.854 -12.892
  339    H    GLN  41           HN       GLN  41 -15.620  11.522  -6.739
  340    HA   GLN  41           HA       GLN  41 -14.615  13.843  -8.033
  341    HB2  GLN  41           HB2      GLN  41 -17.003  13.101  -8.071
  342    HB3  GLN  41           HB1      GLN  41 -17.134  13.586  -6.386
  343    HG2  GLN  41           HG2      GLN  41 -18.019  15.354  -7.654
  344    HG3  GLN  41           HG1      GLN  41 -16.428  15.883  -7.109
  345   HE21  GLN  41          HE21      GLN  41 -14.752  16.068  -8.599
  346   HE22  GLN  41          HE22      GLN  41 -15.040  16.123 -10.301
  347    H    GLN  42           HN       GLN  42 -15.349  13.082  -4.647
  348    HA   GLN  42           HA       GLN  42 -14.810  15.617  -3.578
  349    HB2  GLN  42           HB2      GLN  42 -15.890  13.761  -2.325
  350    HB3  GLN  42           HB1      GLN  42 -14.344  12.925  -2.273
  351    HG2  GLN  42           HG2      GLN  42 -13.391  14.766  -0.979
  352    HG3  GLN  42           HG1      GLN  42 -14.944  15.599  -1.028
  353   HE21  GLN  42          HE21      GLN  42 -15.130  15.604   1.205
  354   HE22  GLN  42          HE22      GLN  42 -15.491  14.174   2.106
  355    H    GLN  43           HN       GLN  43 -12.769  13.064  -4.691
  356    HA   GLN  43           HA       GLN  43 -10.350  14.147  -3.540
  357    HB2  GLN  43           HB2      GLN  43 -10.527  11.746  -3.773
  358    HB3  GLN  43           HB1      GLN  43 -10.864  11.895  -5.491
  359    HG2  GLN  43           HG2      GLN  43  -8.304  12.984  -4.446
  360    HG3  GLN  43           HG1      GLN  43  -8.485  11.238  -4.602
  361   HE21  GLN  43          HE21      GLN  43  -8.795  10.339  -6.660
  362   HE22  GLN  43          HE22      GLN  43  -8.366  11.198  -8.096
  363    H    GLN  44           HN       GLN  44 -12.018  14.086  -6.624
  364    HA   GLN  44           HA       GLN  44 -10.005  15.133  -8.260
  365    HB2  GLN  44           HB2      GLN  44 -13.009  15.228  -8.409
  366    HB3  GLN  44           HB1      GLN  44 -12.008  16.015  -9.622
  367    HG2  GLN  44           HG2      GLN  44 -11.852  13.096  -8.919
  368    HG3  GLN  44           HG1      GLN  44 -12.778  13.755 -10.265
  369   HE21  GLN  44          HE21      GLN  44  -9.605  13.100  -9.008
  370   HE22  GLN  44          HE22      GLN  44  -8.747  13.334 -10.489
  371    H    LEU  45           HN       LEU  45 -11.958  16.573  -5.834
  372    HA   LEU  45           HA       LEU  45 -12.025  19.239  -6.596
  373    HB2  LEU  45           HB2      LEU  45 -13.254  18.654  -4.686
  374    HB3  LEU  45           HB1      LEU  45 -11.878  17.878  -3.926
  375    HG   LEU  45           HG       LEU  45 -10.844  20.204  -3.757
  376   HD11  LEU  45          HD11      LEU  45 -13.691  20.975  -4.385
  377   HD12  LEU  45          HD12      LEU  45 -12.255  21.363  -5.334
  378   HD13  LEU  45          HD13      LEU  45 -12.467  22.062  -3.729
  379   HD21  LEU  45          HD21      LEU  45 -12.094  20.719  -1.719
  380   HD22  LEU  45          HD22      LEU  45 -11.747  18.994  -1.842
  381   HD23  LEU  45          HD23      LEU  45 -13.363  19.597  -2.211
  382    H    LEU  46           HN       LEU  46  -9.519  17.528  -4.725
  383    HA   LEU  46           HA       LEU  46  -7.457  19.131  -5.870
  384    HB2  LEU  46           HB2      LEU  46  -6.645  20.172  -3.824
  385    HB3  LEU  46           HB1      LEU  46  -8.255  20.730  -4.230
  386    HG   LEU  46           HG       LEU  46  -8.815  18.679  -2.513
  387   HD11  LEU  46          HD11      LEU  46  -7.334  18.969  -0.577
  388   HD12  LEU  46          HD12      LEU  46  -6.291  20.014  -1.541
  389   HD13  LEU  46          HD13      LEU  46  -6.476  18.314  -1.971
  390   HD21  LEU  46          HD21      LEU  46  -9.746  20.973  -2.541
  391   HD22  LEU  46          HD22      LEU  46  -8.286  21.543  -1.733
  392   HD23  LEU  46          HD23      LEU  46  -9.356  20.403  -0.918
  393    H    GLN  47           HN       GLN  47  -5.883  17.726  -6.199
  394    HA   GLN  47           HA       GLN  47  -5.593  15.415  -4.448
  395    HB2  GLN  47           HB2      GLN  47  -5.615  15.149  -6.928
  396    HB3  GLN  47           HB1      GLN  47  -4.120  16.073  -7.006
  397    HG2  GLN  47           HG2      GLN  47  -3.946  13.538  -7.078
  398    HG3  GLN  47           HG1      GLN  47  -2.887  14.396  -5.959
  399   HE21  GLN  47          HE21      GLN  47  -2.621  12.685  -4.580
  400   HE22  GLN  47          HE22      GLN  47  -3.889  12.078  -3.574
  401    H    ARG  48           HN       ARG  48  -4.933  17.321  -2.878
  402    HA   ARG  48           HA       ARG  48  -2.010  17.240  -2.757
  403    HB2  ARG  48           HB2      ARG  48  -3.668  19.738  -2.373
  404    HB3  ARG  48           HB1      ARG  48  -1.949  19.610  -2.032
  405    HG2  ARG  48           HG2      ARG  48  -1.525  19.128  -4.391
  406    HG3  ARG  48           HG1      ARG  48  -3.250  19.289  -4.724
  407    HD2  ARG  48           HD2      ARG  48  -2.059  21.338  -5.291
  408    HD3  ARG  48           HD1      ARG  48  -3.183  21.610  -3.961
  409    HE   ARG  48           HE       ARG  48  -0.525  20.988  -3.082
  410   HH11  ARG  48          HH11      ARG  48  -2.637  23.537  -4.174
  411   HH12  ARG  48          HH12      ARG  48  -1.733  24.794  -3.397
  412   HH21  ARG  48          HH21      ARG  48   0.670  22.636  -2.055
  413   HH22  ARG  48          HH22      ARG  48   0.145  24.281  -2.191
  414    H    ASP   1           HT1      ASP   1   5.808 -14.683  16.400
  415    HA   ASP   1           HA       ASP   1   6.355 -15.930  13.772
  416    HB2  ASP   1           HB2      ASP   1   3.727 -15.159  15.063
  417    HB3  ASP   1           HB1      ASP   1   3.923 -15.822  13.444
  418    H    GLU   2           HN       GLU   2   7.240 -14.387  12.555
  419    HA   GLU   2           HA       GLU   2   5.777 -12.014  11.952
  420    HB2  GLU   2           HB2      GLU   2   7.472 -10.383  12.664
  421    HB3  GLU   2           HB1      GLU   2   6.795 -11.249  14.036
  422    HG2  GLU   2           HG2      GLU   2   8.774 -12.697  14.080
  423    HG3  GLU   2           HG1      GLU   2   9.455 -11.784  12.735
  424    H    ASP   3           HN       ASP   3   7.509 -14.451  10.978
  425    HA   ASP   3           HA       ASP   3   9.418 -13.189   9.240
  426    HB2  ASP   3           HB2      ASP   3   9.719 -15.472   8.313
  427    HB3  ASP   3           HB1      ASP   3   9.870 -15.428  10.066
  428    H    THR   4           HN       THR   4   8.622 -15.145   7.002
  429    HA   THR   4           HA       THR   4   7.080 -13.247   5.545
  430    HB   THR   4           HB       THR   4   7.217 -15.929   4.399
  431    HG1  THR   4           HG1      THR   4   9.198 -15.930   5.532
  432   HG21  THR   4          HG21      THR   4   6.583 -13.964   3.091
  433   HG22  THR   4          HG22      THR   4   8.068 -14.678   2.459
  434   HG23  THR   4          HG23      THR   4   8.141 -13.217   3.449
  435    H    TYR   5           HN       TYR   5   5.063 -13.359   4.807
  436    HA   TYR   5           HA       TYR   5   3.240 -15.234   6.162
  437    HB2  TYR   5           HB2      TYR   5   3.050 -12.275   5.788
  438    HB3  TYR   5           HB1      TYR   5   1.639 -13.273   6.125
  439    HD1  TYR   5           HD1      TYR   5   1.652 -14.685   8.237
  440    HD2  TYR   5           HD2      TYR   5   4.458 -11.571   7.523
  441    HE1  TYR   5           HE1      TYR   5   2.140 -14.584  10.642
  442    HE2  TYR   5           HE2      TYR   5   4.954 -11.458   9.927
  443    HH   TYR   5           HH       TYR   5   3.942 -13.853  12.123
  444    H    TYR   6           HN       TYR   6   1.104 -15.436   4.895
  445    HA   TYR   6           HA       TYR   6   1.531 -14.753   2.074
  446    HB2  TYR   6           HB2      TYR   6  -0.402 -16.865   3.041
  447    HB3  TYR   6           HB1      TYR   6   0.251 -16.654   1.423
  448    HD1  TYR   6           HD2      TYR   6   3.142 -16.312   2.107
  449    HD2  TYR   6           HD1      TYR   6   0.252 -19.078   3.545
  450    HE1  TYR   6           HE2      TYR   6   4.938 -17.910   2.593
  451    HE2  TYR   6           HE1      TYR   6   2.040 -20.693   4.045
  452    HH   TYR   6           HH       TYR   6   5.320 -19.853   4.079
  453    H    LEU   7           HN       LEU   7   0.254 -13.416   1.102
  454    HA   LEU   7           HA       LEU   7  -2.150 -12.431   2.511
  455    HB2  LEU   7           HB2      LEU   7   0.152 -11.142   1.745
  456    HB3  LEU   7           HB1      LEU   7  -0.901 -10.841   0.391
  457    HG   LEU   7           HG       LEU   7  -2.222  -9.400   1.560
  458   HD11  LEU   7          HD11      LEU   7  -3.190 -10.054   3.422
  459   HD12  LEU   7          HD12      LEU   7  -1.721  -9.579   4.275
  460   HD13  LEU   7          HD13      LEU   7  -1.927 -11.242   3.728
  461   HD21  LEU   7          HD21      LEU   7  -0.796  -7.875   2.643
  462   HD22  LEU   7          HD22      LEU   7   0.208  -8.739   1.473
  463   HD23  LEU   7          HD23      LEU   7   0.284  -9.163   3.185
  464    H    GLN   8           HN       GLN   8  -3.889 -13.470   1.517
  465    HA   GLN   8           HA       GLN   8  -3.798 -13.925  -1.283
  466    HB2  GLN   8           HB2      GLN   8  -5.158 -15.073   0.764
  467    HB3  GLN   8           HB1      GLN   8  -6.419 -14.097   0.024
  468    HG2  GLN   8           HG2      GLN   8  -5.584 -15.169  -2.183
  469    HG3  GLN   8           HG1      GLN   8  -4.888 -16.380  -1.110
  470   HE21  GLN   8          HE21      GLN   8  -7.184 -15.937   0.797
  471   HE22  GLN   8          HE22      GLN   8  -8.496 -16.809   0.097
  472    H    VAL   9           HN       VAL   9  -4.138 -12.479  -2.772
  473    HA   VAL   9           HA       VAL   9  -5.960 -10.294  -2.124
  474    HB   VAL   9           HB       VAL   9  -3.363 -10.206  -3.643
  475   HG11  VAL   9          HG11      VAL   9  -3.883  -7.816  -4.116
  476   HG12  VAL   9          HG12      VAL   9  -5.547  -8.142  -3.629
  477   HG13  VAL   9          HG13      VAL   9  -4.854  -8.978  -5.020
  478   HG21  VAL   9          HG21      VAL   9  -4.387  -8.589  -1.317
  479   HG22  VAL   9          HG22      VAL   9  -2.780  -8.486  -2.036
  480   HG23  VAL   9          HG23      VAL   9  -3.283  -9.959  -1.207
  481    H    ARG  10           HN       ARG  10  -7.623  -9.949  -3.486
  482    HA   ARG  10           HA       ARG  10  -7.743 -11.697  -5.842
  483    HB2  ARG  10           HB2      ARG  10  -9.559 -11.664  -3.963
  484    HB3  ARG  10           HB1      ARG  10 -10.096 -10.181  -4.740
  485    HG2  ARG  10           HG2      ARG  10  -9.728 -12.653  -6.370
  486    HG3  ARG  10           HG1      ARG  10 -11.173 -12.459  -5.376
  487    HD2  ARG  10           HD2      ARG  10 -11.655 -10.337  -6.505
  488    HD3  ARG  10           HD1      ARG  10 -10.217 -10.544  -7.503
  489    HE   ARG  10           HE       ARG  10 -11.855 -12.806  -7.785
  490   HH11  ARG  10          HH11      ARG  10 -11.808  -9.419  -8.607
  491   HH12  ARG  10          HH12      ARG  10 -12.787  -9.618 -10.022
  492   HH21  ARG  10          HH21      ARG  10 -13.143 -13.075  -9.645
  493   HH22  ARG  10          HH22      ARG  10 -13.546 -11.695 -10.611
  494    H    GLY  11           HN       GLY  11  -8.115 -10.957  -7.848
  495    HA2  GLY  11           HA2      GLY  11  -8.553  -9.341  -9.506
  496    HA3  GLY  11           HA1      GLY  11  -8.564  -8.100  -8.259
  497    H    ARG  12           HN       ARG  12  -6.957  -9.057 -10.892
  498    HA   ARG  12           HA       ARG  12  -4.262  -9.100 -10.278
  499    HB2  ARG  12           HB2      ARG  12  -5.482  -9.406 -12.549
  500    HB3  ARG  12           HB1      ARG  12  -5.266  -7.669 -12.718
  501    HG2  ARG  12           HG2      ARG  12  -3.460  -8.670 -13.843
  502    HG3  ARG  12           HG1      ARG  12  -2.808  -8.057 -12.323
  503    HD2  ARG  12           HD2      ARG  12  -3.051 -10.326 -11.359
  504    HD3  ARG  12           HD1      ARG  12  -3.578 -10.906 -12.938
  505    HE   ARG  12           HE       ARG  12  -0.945  -9.638 -12.649
  506   HH11  ARG  12          HH11      ARG  12  -2.900 -12.421 -13.410
  507   HH12  ARG  12          HH12      ARG  12  -1.580 -13.329 -14.067
  508   HH21  ARG  12          HH21      ARG  12   0.796 -10.825 -13.515
  509   HH22  ARG  12          HH22      ARG  12   0.521 -12.421 -14.127
  510    H    GLU  13           HN       GLU  13  -6.209  -6.166 -10.948
  511    HA   GLU  13           HA       GLU  13  -4.159  -4.338 -10.840
  512    HB2  GLU  13           HB2      GLU  13  -6.432  -3.746 -11.492
  513    HB3  GLU  13           HB1      GLU  13  -6.995  -4.004  -9.847
  514    HG2  GLU  13           HG2      GLU  13  -5.830  -2.104  -9.050
  515    HG3  GLU  13           HG1      GLU  13  -4.918  -1.951 -10.552
  516    H    ASN  14           HN       ASN  14  -6.052  -5.599  -8.106
  517    HA   ASN  14           HA       ASN  14  -4.772  -4.020  -6.112
  518    HB2  ASN  14           HB2      ASN  14  -6.162  -6.671  -5.735
  519    HB3  ASN  14           HB1      ASN  14  -5.908  -5.411  -4.532
  520   HD21  ASN  14          HD21      ASN  14  -8.391  -6.611  -5.366
  521   HD22  ASN  14          HD22      ASN  14  -9.378  -5.333  -5.979
  522    H    PHE  15           HN       PHE  15  -4.272  -7.344  -7.264
  523    HA   PHE  15           HA       PHE  15  -2.298  -8.127  -5.465
  524    HB2  PHE  15           HB2      PHE  15  -3.466  -9.644  -7.023
  525    HB3  PHE  15           HB1      PHE  15  -2.576  -8.934  -8.366
  526    HD1  PHE  15           HD2      PHE  15  -1.406  -9.943  -4.966
  527    HD2  PHE  15           HD1      PHE  15  -1.207 -10.605  -9.175
  528    HE1  PHE  15           HE2      PHE  15   0.387 -11.568  -4.622
  529    HE2  PHE  15           HE1      PHE  15   0.616 -12.230  -8.823
  530    HZ   PHE  15           HZ       PHE  15   1.411 -12.706  -6.535
  531    H    GLU  16           HN       GLU  16  -1.944  -6.520  -8.625
  532    HA   GLU  16           HA       GLU  16   0.904  -6.425  -8.641
  533    HB2  GLU  16           HB2      GLU  16  -1.125  -4.649 -10.007
  534    HB3  GLU  16           HB1      GLU  16   0.598  -4.674 -10.358
  535    HG2  GLU  16           HG2      GLU  16   0.414  -7.011 -11.061
  536    HG3  GLU  16           HG1      GLU  16  -1.316  -6.967 -10.728
  537    H    ILE  17           HN       ILE  17  -1.494  -4.013  -7.553
  538    HA   ILE  17           HA       ILE  17   0.429  -2.051  -6.919
  539    HB   ILE  17           HB       ILE  17  -2.414  -2.486  -6.334
  540   HG12  ILE  17          HG12      ILE  17  -0.966   0.111  -6.746
  541   HG13  ILE  17          HG11      ILE  17  -1.239  -0.986  -8.092
  542   HG21  ILE  17          HG21      ILE  17  -2.513  -0.775  -4.573
  543   HG22  ILE  17          HG22      ILE  17  -0.749  -0.759  -4.507
  544   HG23  ILE  17          HG23      ILE  17  -1.635  -2.214  -4.046
  545   HD11  ILE  17          HD11      ILE  17  -3.659  -0.846  -7.643
  546   HD12  ILE  17          HD12      ILE  17  -2.930   0.714  -8.040
  547   HD13  ILE  17          HD13      ILE  17  -3.315   0.320  -6.365
  548    H    LEU  18           HN       LEU  18  -0.942  -4.733  -5.017
  549    HA   LEU  18           HA       LEU  18   0.414  -3.991  -2.601
  550    HB2  LEU  18           HB2      LEU  18  -1.187  -6.346  -3.532
  551    HB3  LEU  18           HB1      LEU  18  -0.288  -6.406  -2.028
  552    HG   LEU  18           HG       LEU  18  -2.085  -4.079  -2.379
  553   HD11  LEU  18          HD11      LEU  18  -3.317  -6.120  -3.271
  554   HD12  LEU  18          HD12      LEU  18  -4.082  -5.235  -1.951
  555   HD13  LEU  18          HD13      LEU  18  -3.235  -6.744  -1.624
  556   HD21  LEU  18          HD21      LEU  18  -0.823  -4.324  -0.347
  557   HD22  LEU  18          HD22      LEU  18  -1.421  -5.968  -0.126
  558   HD23  LEU  18          HD23      LEU  18  -2.528  -4.601   0.006
  559    H    MET  19           HN       MET  19   0.992  -6.232  -5.286
  560    HA   MET  19           HA       MET  19   3.107  -7.625  -4.090
  561    HB2  MET  19           HB2      MET  19   1.801  -8.013  -6.396
  562    HB3  MET  19           HB1      MET  19   3.192  -7.165  -7.049
  563    HG2  MET  19           HG2      MET  19   3.231  -9.735  -5.477
  564    HG3  MET  19           HG1      MET  19   3.501  -9.548  -7.205
  565    HE1  MET  19           HE1      MET  19   6.869 -10.570  -5.233
  566    HE2  MET  19           HE2      MET  19   5.761 -11.139  -6.480
  567    HE3  MET  19           HE3      MET  19   5.194 -10.946  -4.819
  568    H    LYS  20           HN       LYS  20   3.248  -4.802  -6.274
  569    HA   LYS  20           HA       LYS  20   6.008  -4.370  -6.194
  570    HB2  LYS  20           HB2      LYS  20   4.789  -2.972  -7.643
  571    HB3  LYS  20           HB1      LYS  20   3.702  -2.450  -6.360
  572    HG2  LYS  20           HG2      LYS  20   5.019  -0.703  -5.946
  573    HG3  LYS  20           HG1      LYS  20   6.356  -1.788  -5.582
  574    HD2  LYS  20           HD2      LYS  20   7.014  -1.837  -7.869
  575    HD3  LYS  20           HD1      LYS  20   5.598  -0.897  -8.342
  576    HE2  LYS  20           HE2      LYS  20   7.450   0.594  -8.288
  577    HE3  LYS  20           HE1      LYS  20   6.449   0.947  -6.884
  578    HZ1  LYS  20           HZ1      LYS  20   7.981  -0.461  -5.567
  579    HZ2  LYS  20           HZ2      LYS  20   8.719   0.919  -6.207
  580    HZ3  LYS  20           HZ3      LYS  20   8.987  -0.590  -6.922
  581    H    LEU  21           HN       LEU  21   3.440  -3.478  -4.004
  582    HA   LEU  21           HA       LEU  21   5.024  -1.886  -2.296
  583    HB2  LEU  21           HB2      LEU  21   2.429  -2.084  -2.540
  584    HB3  LEU  21           HB1      LEU  21   2.581  -3.411  -1.410
  585    HG   LEU  21           HG       LEU  21   2.962  -0.492  -0.960
  586   HD11  LEU  21          HD11      LEU  21   0.825  -1.822  -0.556
  587   HD12  LEU  21          HD12      LEU  21   1.402  -0.772   0.737
  588   HD13  LEU  21          HD13      LEU  21   1.673  -2.511   0.827
  589   HD21  LEU  21          HD21      LEU  21   4.131  -2.677   0.748
  590   HD22  LEU  21          HD22      LEU  21   3.932  -0.999   1.257
  591   HD23  LEU  21          HD23      LEU  21   5.009  -1.394  -0.082
  592    H    LYS  22           HN       LYS  22   4.109  -5.298  -2.186
  593    HA   LYS  22           HA       LYS  22   5.206  -5.968   0.255
  594    HB2  LYS  22           HB2      LYS  22   4.013  -7.702  -0.649
  595    HB3  LYS  22           HB1      LYS  22   4.555  -7.364  -2.283
  596    HG2  LYS  22           HG2      LYS  22   6.798  -8.323  -1.570
  597    HG3  LYS  22           HG1      LYS  22   5.953  -8.918  -0.137
  598    HD2  LYS  22           HD2      LYS  22   4.587 -10.334  -1.377
  599    HD3  LYS  22           HD1      LYS  22   4.872  -9.451  -2.878
  600    HE2  LYS  22           HE2      LYS  22   6.753 -11.293  -1.425
  601    HE3  LYS  22           HE1      LYS  22   6.058 -11.498  -3.031
  602    HZ1  LYS  22           HZ1      LYS  22   8.392 -10.758  -3.063
  603    HZ2  LYS  22           HZ2      LYS  22   7.942  -9.329  -2.280
  604    HZ3  LYS  22           HZ3      LYS  22   7.354  -9.663  -3.830
  605    H    GLU  23           HN       GLU  23   6.662  -5.600  -2.922
  606    HA   GLU  23           HA       GLU  23   9.276  -6.429  -2.165
  607    HB2  GLU  23           HB2      GLU  23   8.329  -4.702  -4.462
  608    HB3  GLU  23           HB1      GLU  23   9.975  -5.291  -4.277
  609    HG2  GLU  23           HG2      GLU  23   9.245  -7.565  -4.504
  610    HG3  GLU  23           HG1      GLU  23   7.558  -7.065  -4.509
  611    H    SER  24           HN       SER  24   7.777  -3.188  -2.463
  612    HA   SER  24           HA       SER  24  10.058  -1.780  -1.746
  613    HB2  SER  24           HB2      SER  24   8.580   0.097  -1.196
  614    HB3  SER  24           HB1      SER  24   8.041  -0.699  -2.670
  615    HG   SER  24           HG       SER  24   6.231  -0.476  -1.487
  616    H    LEU  25           HN       LEU  25   7.480  -3.025   0.378
  617    HA   LEU  25           HA       LEU  25   8.538  -2.024   2.816
  618    HB2  LEU  25           HB2      LEU  25   6.578  -4.156   2.074
  619    HB3  LEU  25           HB1      LEU  25   7.163  -4.058   3.722
  620    HG   LEU  25           HG       LEU  25   5.849  -1.744   2.302
  621   HD11  LEU  25          HD11      LEU  25   3.865  -2.325   3.694
  622   HD12  LEU  25          HD12      LEU  25   4.649  -3.856   4.079
  623   HD13  LEU  25          HD13      LEU  25   4.216  -3.482   2.412
  624   HD21  LEU  25          HD21      LEU  25   5.691  -0.741   4.431
  625   HD22  LEU  25          HD22      LEU  25   7.350  -1.332   4.299
  626   HD23  LEU  25          HD23      LEU  25   6.164  -2.230   5.251
  627    H    GLU  26           HN       GLU  26   8.888  -5.161   1.199
  628    HA   GLU  26           HA       GLU  26  10.472  -6.324   3.239
  629    HB2  GLU  26           HB2      GLU  26  10.043  -6.998   0.339
  630    HB3  GLU  26           HB1      GLU  26  11.162  -7.911   1.341
  631    HG2  GLU  26           HG2      GLU  26   9.225  -8.280   2.927
  632    HG3  GLU  26           HG1      GLU  26   8.189  -7.642   1.651
  633    H    LEU  27           HN       LEU  27  11.277  -4.660   0.221
  634    HA   LEU  27           HA       LEU  27  14.099  -4.967   0.388
  635    HB2  LEU  27           HB2      LEU  27  12.276  -3.116  -1.105
  636    HB3  LEU  27           HB1      LEU  27  14.015  -2.893  -1.140
  637    HG   LEU  27           HG       LEU  27  12.678  -5.474  -1.949
  638   HD11  LEU  27          HD11      LEU  27  11.910  -3.659  -3.399
  639   HD12  LEU  27          HD12      LEU  27  12.976  -4.771  -4.255
  640   HD13  LEU  27          HD13      LEU  27  13.585  -3.206  -3.715
  641   HD21  LEU  27          HD21      LEU  27  15.016  -5.678  -1.328
  642   HD22  LEU  27          HD22      LEU  27  15.439  -4.359  -2.421
  643   HD23  LEU  27          HD23      LEU  27  14.821  -5.879  -3.070
  644    H    MET  28           HN       MET  28  11.909  -2.514   1.751
  645    HA   MET  28           HA       MET  28  13.843  -0.673   2.310
  646    HB2  MET  28           HB2      MET  28  11.356  -0.399   2.718
  647    HB3  MET  28           HB1      MET  28  11.567  -1.297   4.216
  648    HG2  MET  28           HG2      MET  28  13.368   0.518   4.707
  649    HG3  MET  28           HG1      MET  28  12.487   1.437   3.497
  650    HE1  MET  28           HE1      MET  28   9.405   1.327   3.948
  651    HE2  MET  28           HE2      MET  28  10.546   2.656   3.772
  652    HE3  MET  28           HE3      MET  28   9.405   2.643   5.118
  653    H    GLU  29           HN       GLU  29  13.742  -3.826   3.540
  654    HA   GLU  29           HA       GLU  29  15.179  -3.184   5.987
  655    HB2  GLU  29           HB2      GLU  29  14.772  -5.338   6.657
  656    HB3  GLU  29           HB1      GLU  29  13.389  -5.054   5.611
  657    HG2  GLU  29           HG2      GLU  29  14.608  -6.190   3.776
  658    HG3  GLU  29           HG1      GLU  29  15.898  -6.563   4.917
  659    H    LEU  30           HN       LEU  30  15.868  -4.135   2.713
  660    HA   LEU  30           HA       LEU  30  18.503  -5.146   3.412
  661    HB2  LEU  30           HB2      LEU  30  18.435  -6.286   1.497
  662    HB3  LEU  30           HB1      LEU  30  16.735  -5.877   1.483
  663    HG   LEU  30           HG       LEU  30  18.866  -4.302   0.049
  664   HD11  LEU  30          HD11      LEU  30  16.926  -6.350  -1.010
  665   HD12  LEU  30          HD12      LEU  30  18.673  -6.545  -0.881
  666   HD13  LEU  30          HD13      LEU  30  17.999  -5.349  -1.987
  667   HD21  LEU  30          HD21      LEU  30  16.861  -3.427  -1.190
  668   HD22  LEU  30          HD22      LEU  30  17.014  -2.893   0.483
  669   HD23  LEU  30          HD23      LEU  30  15.869  -4.167   0.063
  670    H    VAL  31           HN       VAL  31  17.295  -2.194   3.224
  671    HA   VAL  31           HA       VAL  31  19.567  -1.068   1.747
  672    HB   VAL  31           HB       VAL  31  17.521  -0.053   1.056
  673   HG11  VAL  31          HG11      VAL  31  15.978   1.045   2.591
  674   HG12  VAL  31          HG12      VAL  31  16.962   0.526   3.960
  675   HG13  VAL  31          HG13      VAL  31  16.135  -0.672   2.965
  676   HG21  VAL  31          HG21      VAL  31  19.089   1.623   1.037
  677   HG22  VAL  31          HG22      VAL  31  19.307   1.592   2.785
  678   HG23  VAL  31          HG23      VAL  31  17.868   2.332   2.092
  679    HA   PRO  32           HA       PRO  32  21.904  -0.671   5.501
  680    HB2  PRO  32           HB2      PRO  32  22.682   1.861   4.081
  681    HB3  PRO  32           HB1      PRO  32  23.704   0.711   4.953
  682    HG2  PRO  32           HG2      PRO  32  23.551   0.667   2.285
  683    HG3  PRO  32           HG1      PRO  32  23.680  -0.829   3.226
  684    HD2  PRO  32           HD2      PRO  32  21.365   0.272   1.754
  685    HD3  PRO  32           HD1      PRO  32  21.717  -1.407   2.212
  686    H    GLN  33           HN       GLN  33  21.242   0.108   7.397
  687    HA   GLN  33           HA       GLN  33  19.058   1.683   7.838
  688    HB2  GLN  33           HB2      GLN  33  20.117   0.316   9.565
  689    HB3  GLN  33           HB1      GLN  33  21.476   1.427   9.629
  690    HG2  GLN  33           HG2      GLN  33  19.992   3.202  10.407
  691    HG3  GLN  33           HG1      GLN  33  18.628   2.087  10.342
  692   HE21  GLN  33          HE21      GLN  33  21.552   2.952  12.009
  693   HE22  GLN  33          HE22      GLN  33  21.270   1.997  13.421
  694    HA   PRO  34           HA       PRO  34  22.079   5.558   8.410
  695    HB2  PRO  34           HB2      PRO  34  23.895   4.881   6.149
  696    HB3  PRO  34           HB1      PRO  34  24.250   5.696   7.677
  697    HG2  PRO  34           HG2      PRO  34  24.977   3.169   7.302
  698    HG3  PRO  34           HG1      PRO  34  24.340   3.704   8.869
  699    HD2  PRO  34           HD2      PRO  34  22.990   2.148   6.702
  700    HD3  PRO  34           HD1      PRO  34  22.872   1.964   8.464
  701    H    LEU  35           HN       LEU  35  21.274   3.997   5.343
  702    HA   LEU  35           HA       LEU  35  20.975   6.473   3.908
  703    HB2  LEU  35           HB2      LEU  35  20.723   3.588   3.320
  704    HB3  LEU  35           HB1      LEU  35  19.685   4.641   2.383
  705    HG   LEU  35           HG       LEU  35  22.557   5.360   2.555
  706   HD11  LEU  35          HD11      LEU  35  21.529   3.158   0.770
  707   HD12  LEU  35          HD12      LEU  35  22.577   2.926   2.170
  708   HD13  LEU  35          HD13      LEU  35  23.158   3.834   0.775
  709   HD21  LEU  35          HD21      LEU  35  20.504   5.418   0.343
  710   HD22  LEU  35          HD22      LEU  35  22.145   6.058   0.243
  711   HD23  LEU  35          HD23      LEU  35  20.984   6.782   1.355
  712    H    VAL  36           HN       VAL  36  18.897   4.264   5.649
  713    HA   VAL  36           HA       VAL  36  16.447   5.397   4.671
  714    HB   VAL  36           HB       VAL  36  17.029   3.631   7.055
  715   HG11  VAL  36          HG11      VAL  36  15.126   4.990   7.642
  716   HG12  VAL  36          HG12      VAL  36  14.567   3.365   7.245
  717   HG13  VAL  36          HG13      VAL  36  14.371   4.675   6.080
  718   HG21  VAL  36          HG21      VAL  36  17.244   2.553   4.881
  719   HG22  VAL  36          HG22      VAL  36  15.627   3.101   4.435
  720   HG23  VAL  36          HG23      VAL  36  15.835   1.937   5.744
  721    H    ASP  37           HN       ASP  37  18.497   5.903   7.493
  722    HA   ASP  37           HA       ASP  37  16.824   7.693   8.861
  723    HB2  ASP  37           HB2      ASP  37  18.881   6.695   9.831
  724    HB3  ASP  37           HB1      ASP  37  19.852   7.683   8.741
  725    H    SER  38           HN       SER  38  19.389   8.256   6.444
  726    HA   SER  38           HA       SER  38  19.202  11.033   6.384
  727    HB2  SER  38           HB2      SER  38  20.052   9.047   4.279
  728    HB3  SER  38           HB1      SER  38  20.205  10.791   4.067
  729    HG   SER  38           HG       SER  38  21.784  10.842   5.499
  730    H    TYR  39           HN       TYR  39  17.478   8.617   4.405
  731    HA   TYR  39           HA       TYR  39  16.126  10.434   2.751
  732    HB2  TYR  39           HB2      TYR  39  16.022   8.234   1.996
  733    HB3  TYR  39           HB1      TYR  39  15.614   7.600   3.588
  734    HD1  TYR  39           HD2      TYR  39  14.275   9.432   0.670
  735    HD2  TYR  39           HD1      TYR  39  13.350   7.385   4.280
  736    HE1  TYR  39           HE2      TYR  39  11.895   9.447   0.064
  737    HE2  TYR  39           HE1      TYR  39  10.977   7.400   3.693
  738    HH   TYR  39           HH       TYR  39   9.432   8.681   2.275
  739    H    ARG  40           HN       ARG  40  15.180   8.926   5.811
  740    HA   ARG  40           HA       ARG  40  12.604   9.945   6.003
  741    HB2  ARG  40           HB2      ARG  40  14.620   9.130   8.067
  742    HB3  ARG  40           HB1      ARG  40  13.043   9.759   8.534
  743    HG2  ARG  40           HG2      ARG  40  11.990   7.982   7.161
  744    HG3  ARG  40           HG1      ARG  40  13.599   7.316   6.871
  745    HD2  ARG  40           HD2      ARG  40  12.550   6.118   8.671
  746    HD3  ARG  40           HD1      ARG  40  13.895   7.064   9.300
  747    HE   ARG  40           HE       ARG  40  11.429   8.474   9.495
  748   HH11  ARG  40          HH11      ARG  40  13.342   5.976  10.992
  749   HH12  ARG  40          HH12      ARG  40  12.646   6.205  12.561
  750   HH21  ARG  40          HH21      ARG  40  10.507   8.781  11.558
  751   HH22  ARG  40          HH22      ARG  40  11.035   7.799  12.883
  752    H    GLN  41           HN       GLN  41  15.694  11.431   6.726
  753    HA   GLN  41           HA       GLN  41  14.703  13.759   8.018
  754    HB2  GLN  41           HB2      GLN  41  17.085  13.002   8.059
  755    HB3  GLN  41           HB1      GLN  41  17.221  13.483   6.372
  756    HG2  GLN  41           HG2      GLN  41  18.118  15.248   7.636
  757    HG3  GLN  41           HG1      GLN  41  16.529  15.785   7.090
  758   HE21  GLN  41          HE21      GLN  41  14.855  15.985   8.580
  759   HE22  GLN  41          HE22      GLN  41  15.143  16.039  10.282
  760    H    GLN  42           HN       GLN  42  15.431  12.991   4.632
  761    HA   GLN  42           HA       GLN  42  14.907  15.528   3.561
  762    HB2  GLN  42           HB2      GLN  42  15.977  13.666   2.308
  763    HB3  GLN  42           HB1      GLN  42  14.428  12.837   2.258
  764    HG2  GLN  42           HG2      GLN  42  13.483  14.682   0.962
  765    HG3  GLN  42           HG1      GLN  42  15.040  15.507   1.010
  766   HE21  GLN  42          HE21      GLN  42  15.231  15.507  -1.223
  767   HE22  GLN  42          HE22      GLN  42  15.581  14.074  -2.122
  768    H    GLN  43           HN       GLN  43  12.853  12.990   4.679
  769    HA   GLN  43           HA       GLN  43  10.440  14.085   3.526
  770    HB2  GLN  43           HB2      GLN  43  10.601  11.682   3.763
  771    HB3  GLN  43           HB1      GLN  43  10.938  11.832   5.481
  772    HG2  GLN  43           HG2      GLN  43   8.386  12.936   4.433
  773    HG3  GLN  43           HG1      GLN  43   8.555  11.189   4.592
  774   HE21  GLN  43          HE21      GLN  43   8.862  10.291   6.649
  775   HE22  GLN  43          HE22      GLN  43   8.439  11.153   8.085
  776    H    GLN  44           HN       GLN  44  12.107  14.016   6.610
  777    HA   GLN  44           HA       GLN  44  10.102  15.078   8.245
  778    HB2  GLN  44           HB2      GLN  44  13.106  15.153   8.392
  779    HB3  GLN  44           HB1      GLN  44  12.111  15.948   9.605
  780    HG2  GLN  44           HG2      GLN  44  11.936  13.030   8.905
  781    HG3  GLN  44           HG1      GLN  44  12.866  13.685  10.251
  782   HE21  GLN  44          HE21      GLN  44   9.690  13.047   8.994
  783   HE22  GLN  44          HE22      GLN  44   8.833  13.290  10.474
  784    H    LEU  45           HN       LEU  45  12.065  16.504   5.818
  785    HA   LEU  45           HA       LEU  45  12.147  19.170   6.576
  786    HB2  LEU  45           HB2      LEU  45  13.373  18.574   4.666
  787    HB3  LEU  45           HB1      LEU  45  11.991  17.807   3.907
  788    HG   LEU  45           HG       LEU  45  10.973  20.140   3.737
  789   HD11  LEU  45          HD11      LEU  45  13.824  20.893   4.363
  790   HD12  LEU  45          HD12      LEU  45  12.392  21.291   5.312
  791   HD13  LEU  45          HD13      LEU  45  12.608  21.987   3.706
  792   HD21  LEU  45          HD21      LEU  45  12.224  20.645   1.698
  793   HD22  LEU  45          HD22      LEU  45  11.866  18.923   1.823
  794   HD23  LEU  45          HD23      LEU  45  13.487  19.516   2.189
  795    H    LEU  46           HN       LEU  46   9.631  17.473   4.705
  796    HA   LEU  46           HA       LEU  46   7.578  19.089   5.850
  797    HB2  LEU  46           HB2      LEU  46   6.770  20.131   3.803
  798    HB3  LEU  46           HB1      LEU  46   8.383  20.683   4.209
  799    HG   LEU  46           HG       LEU  46   8.933  18.627   2.494
  800   HD11  LEU  46          HD11      LEU  46   7.455  18.924   0.558
  801   HD12  LEU  46          HD12      LEU  46   6.418  19.976   1.521
  802   HD13  LEU  46          HD13      LEU  46   6.592  18.276   1.952
  803   HD21  LEU  46          HD21      LEU  46   9.877  20.915   2.522
  804   HD22  LEU  46          HD22      LEU  46   8.422  21.494   1.713
  805   HD23  LEU  46          HD23      LEU  46   9.486  20.347   0.899
  806    H    GLN  47           HN       GLN  47   5.996  17.695   6.182
  807    HA   GLN  47           HA       GLN  47   5.690  15.383   4.436
  808    HB2  GLN  47           HB2      GLN  47   5.711  15.120   6.914
  809    HB3  GLN  47           HB1      GLN  47   4.222  16.054   6.992
  810    HG2  GLN  47           HG2      GLN  47   4.031  13.520   7.066
  811    HG3  GLN  47           HG1      GLN  47   2.978  14.384   5.946
  812   HE21  GLN  47          HE21      GLN  47   2.703  12.674   4.566
  813   HE22  GLN  47          HE22      GLN  47   3.967  12.058   3.562
  814    H    ARG  48           HN       ARG  48   5.043  17.292   2.862
  815    HA   ARG  48           HA       ARG  48   2.118  17.230   2.741
  816    HB2  ARG  48           HB2      ARG  48   3.794  19.717   2.355
  817    HB3  ARG  48           HB1      ARG  48   2.074  19.600   2.013
  818    HG2  ARG  48           HG2      ARG  48   1.646  19.122   4.373
  819    HG3  ARG  48           HG1      ARG  48   3.373  19.275   4.705
  820    HD2  ARG  48           HD2      ARG  48   2.190  21.330   5.270
  821    HD3  ARG  48           HD1      ARG  48   3.319  21.594   3.942
  822    HE   ARG  48           HE       ARG  48   0.659  20.989   3.058
  823   HH11  ARG  48          HH11      ARG  48   2.785  23.525   4.152
  824   HH12  ARG  48          HH12      ARG  48   1.889  24.787   3.375
  825   HH21  ARG  48          HH21      ARG  48  -0.526  22.645   2.032
  826   HH22  ARG  48          HH22      ARG  48   0.007  24.287   2.171
  827    H    ASP   1           HT1      ASP   1  -5.807  14.682  16.403
  828    HA   ASP   1           HA       ASP   1  -6.354  15.930  13.773
  829    HB2  ASP   1           HB2      ASP   1  -3.726  15.158  15.064
  830    HB3  ASP   1           HB1      ASP   1  -3.923  15.822  13.445
  831    H    GLU   2           HN       GLU   2  -7.239  14.387  12.557
  832    HA   GLU   2           HA       GLU   2  -5.776  12.014  11.953
  833    HB2  GLU   2           HB2      GLU   2  -7.469  10.383  12.665
  834    HB3  GLU   2           HB1      GLU   2  -6.793  11.249  14.038
  835    HG2  GLU   2           HG2      GLU   2  -8.774  12.696  14.081
  836    HG3  GLU   2           HG1      GLU   2  -9.453  11.783  12.734
  837    H    ASP   3           HN       ASP   3  -7.507  14.449  10.979
  838    HA   ASP   3           HA       ASP   3  -9.419  13.189   9.241
  839    HB2  ASP   3           HB2      ASP   3  -9.718  15.472   8.314
  840    HB3  ASP   3           HB1      ASP   3  -9.870  15.429  10.067
  841    H    THR   4           HN       THR   4  -8.623  15.145   7.003
  842    HA   THR   4           HA       THR   4  -7.081  13.248   5.546
  843    HB   THR   4           HB       THR   4  -7.215  15.929   4.400
  844    HG1  THR   4           HG1      THR   4  -9.198  15.931   5.532
  845   HG21  THR   4          HG21      THR   4  -6.582  13.965   3.093
  846   HG22  THR   4          HG22      THR   4  -8.066  14.677   2.460
  847   HG23  THR   4          HG23      THR   4  -8.140  13.217   3.452
  848    H    TYR   5           HN       TYR   5  -5.063  13.359   4.808
  849    HA   TYR   5           HA       TYR   5  -3.241  15.234   6.163
  850    HB2  TYR   5           HB2      TYR   5  -3.049  12.275   5.788
  851    HB3  TYR   5           HB1      TYR   5  -1.639  13.274   6.125
  852    HD1  TYR   5           HD1      TYR   5  -1.651  14.685   8.238
  853    HD2  TYR   5           HD2      TYR   5  -4.458  11.571   7.523
  854    HE1  TYR   5           HE1      TYR   5  -2.140  14.583  10.644
  855    HE2  TYR   5           HE2      TYR   5  -4.954  11.458   9.927
  856    HH   TYR   5           HH       TYR   5  -3.942  13.852  12.123
  857    H    TYR   6           HN       TYR   6  -1.105  15.436   4.895
  858    HA   TYR   6           HA       TYR   6  -1.533  14.754   2.074
  859    HB2  TYR   6           HB2      TYR   6   0.401  16.864   3.042
  860    HB3  TYR   6           HB1      TYR   6  -0.252  16.655   1.424
  861    HD1  TYR   6           HD2      TYR   6  -3.142  16.312   2.108
  862    HD2  TYR   6           HD1      TYR   6  -0.253  19.078   3.547
  863    HE1  TYR   6           HE2      TYR   6  -4.938  17.910   2.595
  864    HE2  TYR   6           HE1      TYR   6  -2.040  20.692   4.046
  865    HH   TYR   6           HH       TYR   6  -5.320  19.853   4.080
  866    H    LEU   7           HN       LEU   7  -0.255  13.416   1.102
  867    HA   LEU   7           HA       LEU   7   2.149  12.432   2.512
  868    HB2  LEU   7           HB2      LEU   7  -0.152  11.142   1.747
  869    HB3  LEU   7           HB1      LEU   7   0.900  10.841   0.392
  870    HG   LEU   7           HG       LEU   7   2.222   9.400   1.561
  871   HD11  LEU   7          HD11      LEU   7   3.190  10.053   3.423
  872   HD12  LEU   7          HD12      LEU   7   1.721   9.580   4.276
  873   HD13  LEU   7          HD13      LEU   7   1.928  11.243   3.728
  874   HD21  LEU   7          HD21      LEU   7   0.797   7.876   2.646
  875   HD22  LEU   7          HD22      LEU   7  -0.209   8.740   1.476
  876   HD23  LEU   7          HD23      LEU   7  -0.283   9.164   3.187
  877    H    GLN   8           HN       GLN   8   3.888  13.471   1.518
  878    HA   GLN   8           HA       GLN   8   3.798  13.925  -1.282
  879    HB2  GLN   8           HB2      GLN   8   5.157  15.073   0.764
  880    HB3  GLN   8           HB1      GLN   8   6.419  14.097   0.025
  881    HG2  GLN   8           HG2      GLN   8   5.585  15.169  -2.184
  882    HG3  GLN   8           HG1      GLN   8   4.888  16.380  -1.112
  883   HE21  GLN   8          HE21      GLN   8   7.184  15.936   0.797
  884   HE22  GLN   8          HE22      GLN   8   8.495  16.810   0.098
  885    H    VAL   9           HN       VAL   9   4.137  12.480  -2.772
  886    HA   VAL   9           HA       VAL   9   5.959  10.294  -2.123
  887    HB   VAL   9           HB       VAL   9   3.362  10.206  -3.642
  888   HG11  VAL   9          HG11      VAL   9   3.883   7.816  -4.115
  889   HG12  VAL   9          HG12      VAL   9   5.547   8.141  -3.628
  890   HG13  VAL   9          HG13      VAL   9   4.854   8.977  -5.019
  891   HG21  VAL   9          HG21      VAL   9   4.387   8.590  -1.316
  892   HG22  VAL   9          HG22      VAL   9   2.780   8.488  -2.035
  893   HG23  VAL   9          HG23      VAL   9   3.283   9.961  -1.206
  894    H    ARG  10           HN       ARG  10   7.623   9.949  -3.484
  895    HA   ARG  10           HA       ARG  10   7.743  11.697  -5.841
  896    HB2  ARG  10           HB2      ARG  10   9.560  11.664  -3.961
  897    HB3  ARG  10           HB1      ARG  10  10.097  10.182  -4.741
  898    HG2  ARG  10           HG2      ARG  10   9.727  12.654  -6.369
  899    HG3  ARG  10           HG1      ARG  10  11.172  12.461  -5.375
  900    HD2  ARG  10           HD2      ARG  10  11.655  10.339  -6.504
  901    HD3  ARG  10           HD1      ARG  10  10.217  10.545  -7.502
  902    HE   ARG  10           HE       ARG  10  11.853  12.807  -7.784
  903   HH11  ARG  10          HH11      ARG  10  11.808   9.420  -8.607
  904   HH12  ARG  10          HH12      ARG  10  12.787   9.620 -10.021
  905   HH21  ARG  10          HH21      ARG  10  13.141  13.078  -9.643
  906   HH22  ARG  10          HH22      ARG  10  13.547  11.699 -10.610
  907    H    GLY  11           HN       GLY  11   8.111  10.958  -7.847
  908    HA2  GLY  11           HA2      GLY  11   8.553   9.342  -9.505
  909    HA3  GLY  11           HA1      GLY  11   8.564   8.101  -8.259
  910    H    ARG  12           HN       ARG  12   6.958   9.057 -10.892
  911    HA   ARG  12           HA       ARG  12   4.262   9.100 -10.278
  912    HB2  ARG  12           HB2      ARG  12   5.482   9.405 -12.549
  913    HB3  ARG  12           HB1      ARG  12   5.266   7.668 -12.717
  914    HG2  ARG  12           HG2      ARG  12   3.460   8.671 -13.843
  915    HG3  ARG  12           HG1      ARG  12   2.807   8.058 -12.322
  916    HD2  ARG  12           HD2      ARG  12   3.051  10.327 -11.358
  917    HD3  ARG  12           HD1      ARG  12   3.578  10.907 -12.937
  918    HE   ARG  12           HE       ARG  12   0.944   9.640 -12.646
  919   HH11  ARG  12          HH11      ARG  12   2.900  12.422 -13.408
  920   HH12  ARG  12          HH12      ARG  12   1.580  13.330 -14.066
  921   HH21  ARG  12          HH21      ARG  12  -0.798  10.827 -13.513
  922   HH22  ARG  12          HH22      ARG  12  -0.521  12.423 -14.127
  923    H    GLU  13           HN       GLU  13   6.209   6.166 -10.947
  924    HA   GLU  13           HA       GLU  13   4.159   4.338 -10.839
  925    HB2  GLU  13           HB2      GLU  13   6.431   3.747 -11.493
  926    HB3  GLU  13           HB1      GLU  13   6.995   4.004  -9.848
  927    HG2  GLU  13           HG2      GLU  13   5.829   2.105  -9.051
  928    HG3  GLU  13           HG1      GLU  13   4.918   1.952 -10.554
  929    H    ASN  14           HN       ASN  14   6.052   5.599  -8.105
  930    HA   ASN  14           HA       ASN  14   4.771   4.020  -6.111
  931    HB2  ASN  14           HB2      ASN  14   6.161   6.671  -5.735
  932    HB3  ASN  14           HB1      ASN  14   5.907   5.410  -4.531
  933   HD21  ASN  14          HD21      ASN  14   8.390   6.613  -5.366
  934   HD22  ASN  14          HD22      ASN  14   9.378   5.334  -5.978
  935    H    PHE  15           HN       PHE  15   4.272   7.345  -7.264
  936    HA   PHE  15           HA       PHE  15   2.298   8.127  -5.464
  937    HB2  PHE  15           HB2      PHE  15   3.466   9.645  -7.021
  938    HB3  PHE  15           HB1      PHE  15   2.576   8.935  -8.365
  939    HD1  PHE  15           HD2      PHE  15   1.405   9.944  -4.965
  940    HD2  PHE  15           HD1      PHE  15   1.207  10.605  -9.174
  941    HE1  PHE  15           HE2      PHE  15  -0.387  11.568  -4.621
  942    HE2  PHE  15           HE1      PHE  15  -0.616  12.231  -8.821
  943    HZ   PHE  15           HZ       PHE  15  -1.410  12.707  -6.534
  944    H    GLU  16           HN       GLU  16   1.944   6.520  -8.625
  945    HA   GLU  16           HA       GLU  16  -0.904   6.425  -8.641
  946    HB2  GLU  16           HB2      GLU  16   1.126   4.648 -10.006
  947    HB3  GLU  16           HB1      GLU  16  -0.597   4.673 -10.358
  948    HG2  GLU  16           HG2      GLU  16  -0.414   7.010 -11.060
  949    HG3  GLU  16           HG1      GLU  16   1.316   6.967 -10.727
  950    H    ILE  17           HN       ILE  17   1.494   4.013  -7.553
  951    HA   ILE  17           HA       ILE  17  -0.429   2.051  -6.918
  952    HB   ILE  17           HB       ILE  17   2.414   2.486  -6.335
  953   HG12  ILE  17          HG12      ILE  17   0.966  -0.111  -6.745
  954   HG13  ILE  17          HG11      ILE  17   1.238   0.986  -8.091
  955   HG21  ILE  17          HG21      ILE  17   2.514   0.776  -4.574
  956   HG22  ILE  17          HG22      ILE  17   0.750   0.759  -4.506
  957   HG23  ILE  17          HG23      ILE  17   1.637   2.214  -4.046
  958   HD11  ILE  17          HD11      ILE  17   3.659   0.847  -7.643
  959   HD12  ILE  17          HD12      ILE  17   2.931  -0.713  -8.040
  960   HD13  ILE  17          HD13      ILE  17   3.316  -0.319  -6.365
  961    H    LEU  18           HN       LEU  18   0.943   4.733  -5.016
  962    HA   LEU  18           HA       LEU  18  -0.413   3.991  -2.599
  963    HB2  LEU  18           HB2      LEU  18   1.187   6.346  -3.530
  964    HB3  LEU  18           HB1      LEU  18   0.290   6.406  -2.026
  965    HG   LEU  18           HG       LEU  18   2.086   4.079  -2.378
  966   HD11  LEU  18          HD11      LEU  18   3.319   6.119  -3.269
  967   HD12  LEU  18          HD12      LEU  18   4.083   5.235  -1.949
  968   HD13  LEU  18          HD13      LEU  18   3.235   6.744  -1.623
  969   HD21  LEU  18          HD21      LEU  18   0.824   4.324  -0.346
  970   HD22  LEU  18          HD22      LEU  18   1.422   5.967  -0.124
  971   HD23  LEU  18          HD23      LEU  18   2.529   4.600   0.007
  972    H    MET  19           HN       MET  19  -0.991   6.233  -5.285
  973    HA   MET  19           HA       MET  19  -3.107   7.626  -4.090
  974    HB2  MET  19           HB2      MET  19  -1.803   8.013  -6.397
  975    HB3  MET  19           HB1      MET  19  -3.195   7.165  -7.048
  976    HG2  MET  19           HG2      MET  19  -3.232   9.734  -5.476
  977    HG3  MET  19           HG1      MET  19  -3.502   9.548  -7.203
  978    HE1  MET  19           HE1      MET  19  -6.871  10.568  -5.232
  979    HE2  MET  19           HE2      MET  19  -5.762  11.138  -6.479
  980    HE3  MET  19           HE3      MET  19  -5.197  10.946  -4.817
  981    H    LYS  20           HN       LYS  20  -3.248   4.803  -6.274
  982    HA   LYS  20           HA       LYS  20  -6.007   4.370  -6.193
  983    HB2  LYS  20           HB2      LYS  20  -4.788   2.971  -7.642
  984    HB3  LYS  20           HB1      LYS  20  -3.702   2.449  -6.358
  985    HG2  LYS  20           HG2      LYS  20  -5.019   0.703  -5.947
  986    HG3  LYS  20           HG1      LYS  20  -6.355   1.788  -5.580
  987    HD2  LYS  20           HD2      LYS  20  -7.014   1.839  -7.868
  988    HD3  LYS  20           HD1      LYS  20  -5.598   0.898  -8.341
  989    HE2  LYS  20           HE2      LYS  20  -7.450  -0.592  -8.288
  990    HE3  LYS  20           HE1      LYS  20  -6.449  -0.946  -6.884
  991    HZ1  LYS  20           HZ1      LYS  20  -7.981   0.462  -5.566
  992    HZ2  LYS  20           HZ2      LYS  20  -8.718  -0.919  -6.207
  993    HZ3  LYS  20           HZ3      LYS  20  -8.987   0.591  -6.921
  994    H    LEU  21           HN       LEU  21  -3.441   3.478  -4.004
  995    HA   LEU  21           HA       LEU  21  -5.025   1.885  -2.296
  996    HB2  LEU  21           HB2      LEU  21  -2.429   2.083  -2.539
  997    HB3  LEU  21           HB1      LEU  21  -2.581   3.410  -1.410
  998    HG   LEU  21           HG       LEU  21  -2.963   0.491  -0.959
  999   HD11  LEU  21          HD11      LEU  21  -0.826   1.821  -0.556
 1000   HD12  LEU  21          HD12      LEU  21  -1.403   0.772   0.737
 1001   HD13  LEU  21          HD13      LEU  21  -1.673   2.510   0.827
 1002   HD21  LEU  21          HD21      LEU  21  -4.131   2.677   0.748
 1003   HD22  LEU  21          HD22      LEU  21  -3.933   1.000   1.258
 1004   HD23  LEU  21          HD23      LEU  21  -5.010   1.394  -0.081
 1005    H    LYS  22           HN       LYS  22  -4.109   5.297  -2.186
 1006    HA   LYS  22           HA       LYS  22  -5.204   5.967   0.255
 1007    HB2  LYS  22           HB2      LYS  22  -4.012   7.702  -0.649
 1008    HB3  LYS  22           HB1      LYS  22  -4.555   7.363  -2.283
 1009    HG2  LYS  22           HG2      LYS  22  -6.798   8.323  -1.570
 1010    HG3  LYS  22           HG1      LYS  22  -5.953   8.917  -0.137
 1011    HD2  LYS  22           HD2      LYS  22  -4.586  10.333  -1.376
 1012    HD3  LYS  22           HD1      LYS  22  -4.872   9.451  -2.877
 1013    HE2  LYS  22           HE2      LYS  22  -6.752  11.292  -1.425
 1014    HE3  LYS  22           HE1      LYS  22  -6.057  11.497  -3.030
 1015    HZ1  LYS  22           HZ1      LYS  22  -8.391  10.757  -3.063
 1016    HZ2  LYS  22           HZ2      LYS  22  -7.941   9.328  -2.280
 1017    HZ3  LYS  22           HZ3      LYS  22  -7.353   9.662  -3.830
 1018    H    GLU  23           HN       GLU  23  -6.662   5.601  -2.922
 1019    HA   GLU  23           HA       GLU  23  -9.276   6.429  -2.164
 1020    HB2  GLU  23           HB2      GLU  23  -8.329   4.701  -4.460
 1021    HB3  GLU  23           HB1      GLU  23  -9.975   5.290  -4.275
 1022    HG2  GLU  23           HG2      GLU  23  -9.245   7.565  -4.504
 1023    HG3  GLU  23           HG1      GLU  23  -7.558   7.065  -4.509
 1024    H    SER  24           HN       SER  24  -7.777   3.188  -2.463
 1025    HA   SER  24           HA       SER  24 -10.057   1.780  -1.747
 1026    HB2  SER  24           HB2      SER  24  -8.580  -0.097  -1.195
 1027    HB3  SER  24           HB1      SER  24  -8.042   0.699  -2.670
 1028    HG   SER  24           HG       SER  24  -6.231   0.477  -1.487
 1029    H    LEU  25           HN       LEU  25  -7.480   3.024   0.379
 1030    HA   LEU  25           HA       LEU  25  -8.538   2.022   2.816
 1031    HB2  LEU  25           HB2      LEU  25  -6.579   4.156   2.076
 1032    HB3  LEU  25           HB1      LEU  25  -7.164   4.057   3.723
 1033    HG   LEU  25           HG       LEU  25  -5.849   1.744   2.303
 1034   HD11  LEU  25          HD11      LEU  25  -3.865   2.325   3.694
 1035   HD12  LEU  25          HD12      LEU  25  -4.650   3.857   4.081
 1036   HD13  LEU  25          HD13      LEU  25  -4.218   3.483   2.413
 1037   HD21  LEU  25          HD21      LEU  25  -5.690   0.741   4.431
 1038   HD22  LEU  25          HD22      LEU  25  -7.348   1.331   4.300
 1039   HD23  LEU  25          HD23      LEU  25  -6.163   2.230   5.252
 1040    H    GLU  26           HN       GLU  26  -8.889   5.161   1.200
 1041    HA   GLU  26           HA       GLU  26 -10.471   6.324   3.240
 1042    HB2  GLU  26           HB2      GLU  26 -10.042   6.997   0.340
 1043    HB3  GLU  26           HB1      GLU  26 -11.162   7.911   1.341
 1044    HG2  GLU  26           HG2      GLU  26  -9.224   8.280   2.927
 1045    HG3  GLU  26           HG1      GLU  26  -8.189   7.642   1.651
 1046    H    LEU  27           HN       LEU  27 -11.277   4.660   0.222
 1047    HA   LEU  27           HA       LEU  27 -14.099   4.967   0.388
 1048    HB2  LEU  27           HB2      LEU  27 -12.275   3.116  -1.104
 1049    HB3  LEU  27           HB1      LEU  27 -14.013   2.893  -1.139
 1050    HG   LEU  27           HG       LEU  27 -12.677   5.473  -1.948
 1051   HD11  LEU  27          HD11      LEU  27 -11.909   3.659  -3.398
 1052   HD12  LEU  27          HD12      LEU  27 -12.977   4.770  -4.254
 1053   HD13  LEU  27          HD13      LEU  27 -13.584   3.205  -3.713
 1054   HD21  LEU  27          HD21      LEU  27 -15.015   5.678  -1.326
 1055   HD22  LEU  27          HD22      LEU  27 -15.439   4.359  -2.419
 1056   HD23  LEU  27          HD23      LEU  27 -14.821   5.879  -3.067
 1057    H    MET  28           HN       MET  28 -11.908   2.515   1.752
 1058    HA   MET  28           HA       MET  28 -13.842   0.674   2.309
 1059    HB2  MET  28           HB2      MET  28 -11.355   0.399   2.718
 1060    HB3  MET  28           HB1      MET  28 -11.567   1.296   4.216
 1061    HG2  MET  28           HG2      MET  28 -13.367  -0.518   4.708
 1062    HG3  MET  28           HG1      MET  28 -12.487  -1.437   3.498
 1063    HE1  MET  28           HE1      MET  28  -9.404  -1.328   3.950
 1064    HE2  MET  28           HE2      MET  28 -10.545  -2.657   3.771
 1065    HE3  MET  28           HE3      MET  28  -9.405  -2.645   5.119
 1066    H    GLU  29           HN       GLU  29 -13.741   3.826   3.540
 1067    HA   GLU  29           HA       GLU  29 -15.178   3.184   5.988
 1068    HB2  GLU  29           HB2      GLU  29 -14.772   5.339   6.657
 1069    HB3  GLU  29           HB1      GLU  29 -13.388   5.055   5.613
 1070    HG2  GLU  29           HG2      GLU  29 -14.607   6.190   3.776
 1071    HG3  GLU  29           HG1      GLU  29 -15.897   6.563   4.917
 1072    H    LEU  30           HN       LEU  30 -15.867   4.135   2.714
 1073    HA   LEU  30           HA       LEU  30 -18.502   5.145   3.412
 1074    HB2  LEU  30           HB2      LEU  30 -18.435   6.284   1.499
 1075    HB3  LEU  30           HB1      LEU  30 -16.735   5.877   1.485
 1076    HG   LEU  30           HG       LEU  30 -18.866   4.302   0.049
 1077   HD11  LEU  30          HD11      LEU  30 -16.924   6.350  -1.009
 1078   HD12  LEU  30          HD12      LEU  30 -18.671   6.545  -0.881
 1079   HD13  LEU  30          HD13      LEU  30 -17.997   5.348  -1.986
 1080   HD21  LEU  30          HD21      LEU  30 -16.862   3.427  -1.190
 1081   HD22  LEU  30          HD22      LEU  30 -17.014   2.893   0.483
 1082   HD23  LEU  30          HD23      LEU  30 -15.868   4.166   0.063
 1083    H    VAL  31           HN       VAL  31 -17.296   2.193   3.225
 1084    HA   VAL  31           HA       VAL  31 -19.566   1.066   1.747
 1085    HB   VAL  31           HB       VAL  31 -17.521   0.051   1.056
 1086   HG11  VAL  31          HG11      VAL  31 -15.977  -1.046   2.591
 1087   HG12  VAL  31          HG12      VAL  31 -16.960  -0.526   3.960
 1088   HG13  VAL  31          HG13      VAL  31 -16.134   0.671   2.963
 1089   HG21  VAL  31          HG21      VAL  31 -19.090  -1.625   1.039
 1090   HG22  VAL  31          HG22      VAL  31 -19.304  -1.594   2.787
 1091   HG23  VAL  31          HG23      VAL  31 -17.867  -2.333   2.092
 1092    HA   PRO  32           HA       PRO  32 -21.902   0.671   5.501
 1093    HB2  PRO  32           HB2      PRO  32 -22.682  -1.860   4.082
 1094    HB3  PRO  32           HB1      PRO  32 -23.704  -0.710   4.953
 1095    HG2  PRO  32           HG2      PRO  32 -23.550  -0.669   2.286
 1096    HG3  PRO  32           HG1      PRO  32 -23.679   0.829   3.226
 1097    HD2  PRO  32           HD2      PRO  32 -21.364  -0.274   1.755
 1098    HD3  PRO  32           HD1      PRO  32 -21.716   1.405   2.212
 1099    H    GLN  33           HN       GLN  33 -21.241  -0.109   7.397
 1100    HA   GLN  33           HA       GLN  33 -19.057  -1.684   7.838
 1101    HB2  GLN  33           HB2      GLN  33 -20.117  -0.316   9.566
 1102    HB3  GLN  33           HB1      GLN  33 -21.475  -1.430   9.630
 1103    HG2  GLN  33           HG2      GLN  33 -19.989  -3.203  10.409
 1104    HG3  GLN  33           HG1      GLN  33 -18.626  -2.086  10.343
 1105   HE21  GLN  33          HE21      GLN  33 -21.549  -2.953  12.010
 1106   HE22  GLN  33          HE22      GLN  33 -21.268  -1.999  13.423
 1107    HA   PRO  34           HA       PRO  34 -22.078  -5.559   8.411
 1108    HB2  PRO  34           HB2      PRO  34 -23.891  -4.882   6.149
 1109    HB3  PRO  34           HB1      PRO  34 -24.248  -5.697   7.675
 1110    HG2  PRO  34           HG2      PRO  34 -24.976  -3.171   7.302
 1111    HG3  PRO  34           HG1      PRO  34 -24.339  -3.706   8.869
 1112    HD2  PRO  34           HD2      PRO  34 -22.988  -2.150   6.702
 1113    HD3  PRO  34           HD1      PRO  34 -22.871  -1.965   8.464
 1114    H    LEU  35           HN       LEU  35 -21.272  -3.999   5.344
 1115    HA   LEU  35           HA       LEU  35 -20.974  -6.474   3.908
 1116    HB2  LEU  35           HB2      LEU  35 -20.722  -3.589   3.321
 1117    HB3  LEU  35           HB1      LEU  35 -19.684  -4.641   2.383
 1118    HG   LEU  35           HG       LEU  35 -22.557  -5.360   2.556
 1119   HD11  LEU  35          HD11      LEU  35 -21.528  -3.158   0.772
 1120   HD12  LEU  35          HD12      LEU  35 -22.577  -2.926   2.171
 1121   HD13  LEU  35          HD13      LEU  35 -23.157  -3.834   0.774
 1122   HD21  LEU  35          HD21      LEU  35 -20.503  -5.420   0.344
 1123   HD22  LEU  35          HD22      LEU  35 -22.144  -6.060   0.244
 1124   HD23  LEU  35          HD23      LEU  35 -20.983  -6.783   1.357
 1125    H    VAL  36           HN       VAL  36 -18.896  -4.265   5.650
 1126    HA   VAL  36           HA       VAL  36 -16.446  -5.398   4.672
 1127    HB   VAL  36           HB       VAL  36 -17.028  -3.632   7.056
 1128   HG11  VAL  36          HG11      VAL  36 -15.126  -4.990   7.644
 1129   HG12  VAL  36          HG12      VAL  36 -14.565  -3.366   7.245
 1130   HG13  VAL  36          HG13      VAL  36 -14.370  -4.677   6.082
 1131   HG21  VAL  36          HG21      VAL  36 -17.243  -2.553   4.881
 1132   HG22  VAL  36          HG22      VAL  36 -15.626  -3.101   4.435
 1133   HG23  VAL  36          HG23      VAL  36 -15.835  -1.937   5.745
 1134    H    ASP  37           HN       ASP  37 -18.494  -5.904   7.495
 1135    HA   ASP  37           HA       ASP  37 -16.822  -7.695   8.862
 1136    HB2  ASP  37           HB2      ASP  37 -18.880  -6.697   9.831
 1137    HB3  ASP  37           HB1      ASP  37 -19.850  -7.685   8.741
 1138    H    SER  38           HN       SER  38 -19.387  -8.258   6.445
 1139    HA   SER  38           HA       SER  38 -19.200 -11.035   6.384
 1140    HB2  SER  38           HB2      SER  38 -20.050  -9.048   4.279
 1141    HB3  SER  38           HB1      SER  38 -20.203 -10.792   4.067
 1142    HG   SER  38           HG       SER  38 -21.781 -10.845   5.501
 1143    H    TYR  39           HN       TYR  39 -17.476  -8.618   4.406
 1144    HA   TYR  39           HA       TYR  39 -16.124 -10.434   2.751
 1145    HB2  TYR  39           HB2      TYR  39 -16.021  -8.235   1.996
 1146    HB3  TYR  39           HB1      TYR  39 -15.614  -7.601   3.588
 1147    HD1  TYR  39           HD2      TYR  39 -14.274  -9.431   0.670
 1148    HD2  TYR  39           HD1      TYR  39 -13.348  -7.384   4.281
 1149    HE1  TYR  39           HE2      TYR  39 -11.893  -9.447   0.065
 1150    HE2  TYR  39           HE1      TYR  39 -10.975  -7.401   3.694
 1151    HH   TYR  39           HH       TYR  39  -9.431  -8.682   2.276
 1152    H    ARG  40           HN       ARG  40 -15.178  -8.926   5.811
 1153    HA   ARG  40           HA       ARG  40 -12.603  -9.946   6.003
 1154    HB2  ARG  40           HB2      ARG  40 -14.617  -9.131   8.068
 1155    HB3  ARG  40           HB1      ARG  40 -13.040  -9.759   8.534
 1156    HG2  ARG  40           HG2      ARG  40 -11.988  -7.983   7.161
 1157    HG3  ARG  40           HG1      ARG  40 -13.597  -7.317   6.871
 1158    HD2  ARG  40           HD2      ARG  40 -12.548  -6.119   8.672
 1159    HD3  ARG  40           HD1      ARG  40 -13.893  -7.066   9.301
 1160    HE   ARG  40           HE       ARG  40 -11.427  -8.475   9.495
 1161   HH11  ARG  40          HH11      ARG  40 -13.341  -5.978  10.992
 1162   HH12  ARG  40          HH12      ARG  40 -12.646  -6.206  12.562
 1163   HH21  ARG  40          HH21      ARG  40 -10.504  -8.781  11.561
 1164   HH22  ARG  40          HH22      ARG  40 -11.034  -7.798  12.885
 1165    H    GLN  41           HN       GLN  41 -15.693 -11.431   6.727
 1166    HA   GLN  41           HA       GLN  41 -14.702 -13.759   8.019
 1167    HB2  GLN  41           HB2      GLN  41 -17.085 -13.003   8.057
 1168    HB3  GLN  41           HB1      GLN  41 -17.218 -13.486   6.371
 1169    HG2  GLN  41           HG2      GLN  41 -18.115 -15.250   7.636
 1170    HG3  GLN  41           HG1      GLN  41 -16.526 -15.786   7.091
 1171   HE21  GLN  41          HE21      GLN  41 -14.852 -15.986   8.580
 1172   HE22  GLN  41          HE22      GLN  41 -15.141 -16.040  10.282
 1173    H    GLN  42           HN       GLN  42 -15.432 -12.992   4.633
 1174    HA   GLN  42           HA       GLN  42 -14.907 -15.528   3.561
 1175    HB2  GLN  42           HB2      GLN  42 -15.976 -13.664   2.310
 1176    HB3  GLN  42           HB1      GLN  42 -14.426 -12.836   2.259
 1177    HG2  GLN  42           HG2      GLN  42 -13.483 -14.682   0.965
 1178    HG3  GLN  42           HG1      GLN  42 -15.040 -15.506   1.013
 1179   HE21  GLN  42          HE21      GLN  42 -15.227 -15.509  -1.219
 1180   HE22  GLN  42          HE22      GLN  42 -15.578 -14.077  -2.120
 1181    H    GLN  43           HN       GLN  43 -12.851 -12.990   4.678
 1182    HA   GLN  43           HA       GLN  43 -10.439 -14.086   3.525
 1183    HB2  GLN  43           HB2      GLN  43 -10.600 -11.684   3.762
 1184    HB3  GLN  43           HB1      GLN  43 -10.938 -11.833   5.479
 1185    HG2  GLN  43           HG2      GLN  43  -8.385 -12.936   4.433
 1186    HG3  GLN  43           HG1      GLN  43  -8.556 -11.190   4.591
 1187   HE21  GLN  43          HE21      GLN  43  -8.860 -10.291   6.649
 1188   HE22  GLN  43          HE22      GLN  43  -8.438 -11.154   8.085
 1189    H    GLN  44           HN       GLN  44 -12.106 -14.017   6.609
 1190    HA   GLN  44           HA       GLN  44 -10.100 -15.078   8.244
 1191    HB2  GLN  44           HB2      GLN  44 -13.105 -15.154   8.393
 1192    HB3  GLN  44           HB1      GLN  44 -12.109 -15.949   9.604
 1193    HG2  GLN  44           HG2      GLN  44 -11.934 -13.031   8.905
 1194    HG3  GLN  44           HG1      GLN  44 -12.865 -13.685  10.251
 1195   HE21  GLN  44          HE21      GLN  44  -9.687 -13.048   8.995
 1196   HE22  GLN  44          HE22      GLN  44  -8.831 -13.291  10.475
 1197    H    LEU  45           HN       LEU  45 -12.063 -16.506   5.818
 1198    HA   LEU  45           HA       LEU  45 -12.145 -19.171   6.576
 1199    HB2  LEU  45           HB2      LEU  45 -13.370 -18.575   4.666
 1200    HB3  LEU  45           HB1      LEU  45 -11.988 -17.807   3.908
 1201    HG   LEU  45           HG       LEU  45 -10.970 -20.140   3.737
 1202   HD11  LEU  45          HD11      LEU  45 -13.822 -20.893   4.364
 1203   HD12  LEU  45          HD12      LEU  45 -12.389 -21.291   5.313
 1204   HD13  LEU  45          HD13      LEU  45 -12.605 -21.988   3.707
 1205   HD21  LEU  45          HD21      LEU  45 -12.222 -20.646   1.698
 1206   HD22  LEU  45          HD22      LEU  45 -11.865 -18.923   1.823
 1207   HD23  LEU  45          HD23      LEU  45 -13.485 -19.517   2.189
 1208    H    LEU  46           HN       LEU  46  -9.630 -17.474   4.707
 1209    HA   LEU  46           HA       LEU  46  -7.577 -19.090   5.850
 1210    HB2  LEU  46           HB2      LEU  46  -6.770 -20.133   3.804
 1211    HB3  LEU  46           HB1      LEU  46  -8.383 -20.683   4.210
 1212    HG   LEU  46           HG       LEU  46  -8.932 -18.628   2.495
 1213   HD11  LEU  46          HD11      LEU  46  -7.454 -18.924   0.558
 1214   HD12  LEU  46          HD12      LEU  46  -6.416 -19.976   1.521
 1215   HD13  LEU  46          HD13      LEU  46  -6.591 -18.276   1.952
 1216   HD21  LEU  46          HD21      LEU  46  -9.876 -20.915   2.521
 1217   HD22  LEU  46          HD22      LEU  46  -8.420 -21.494   1.712
 1218   HD23  LEU  46          HD23      LEU  46  -9.484 -20.346   0.899
 1219    H    GLN  47           HN       GLN  47  -5.994 -17.695   6.182
 1220    HA   GLN  47           HA       GLN  47  -5.689 -15.383   4.435
 1221    HB2  GLN  47           HB2      GLN  47  -5.709 -15.121   6.915
 1222    HB3  GLN  47           HB1      GLN  47  -4.220 -16.055   6.992
 1223    HG2  GLN  47           HG2      GLN  47  -4.029 -13.520   7.066
 1224    HG3  GLN  47           HG1      GLN  47  -2.976 -14.385   5.946
 1225   HE21  GLN  47          HE21      GLN  47  -2.701 -12.674   4.566
 1226   HE22  GLN  47          HE22      GLN  47  -3.965 -12.059   3.562
 1227    H    ARG  48           HN       ARG  48  -5.041 -17.293   2.862
 1228    HA   ARG  48           HA       ARG  48  -2.117 -17.231   2.741
 1229    HB2  ARG  48           HB2      ARG  48  -3.792 -19.718   2.355
 1230    HB3  ARG  48           HB1      ARG  48  -2.072 -19.600   2.013
 1231    HG2  ARG  48           HG2      ARG  48  -1.644 -19.123   4.373
 1232    HG3  ARG  48           HG1      ARG  48  -3.370 -19.274   4.705
 1233    HD2  ARG  48           HD2      ARG  48  -2.191 -21.330   5.270
 1234    HD3  ARG  48           HD1      ARG  48  -3.318 -21.593   3.941
 1235    HE   ARG  48           HE       ARG  48  -0.659 -20.989   3.059
 1236   HH11  ARG  48          HH11      ARG  48  -2.783 -23.526   4.151
 1237   HH12  ARG  48          HH12      ARG  48  -1.886 -24.787   3.374
 1238   HH21  ARG  48          HH21      ARG  48   0.527 -22.642   2.032
 1239   HH22  ARG  48          HH22      ARG  48  -0.005 -24.285   2.169
 1240    H    ASP   1           HT1      ASP   1   5.898  14.664 -16.388
 1241    HA   ASP   1           HA       ASP   1   6.451  15.904 -13.757
 1242    HB2  ASP   1           HB2      ASP   1   3.819  15.150 -15.050
 1243    HB3  ASP   1           HB1      ASP   1   4.019  15.811 -13.430
 1244    H    GLU   2           HN       GLU   2   7.328  14.355 -12.545
 1245    HA   GLU   2           HA       GLU   2   5.851  11.991 -11.941
 1246    HB2  GLU   2           HB2      GLU   2   7.533  10.350 -12.654
 1247    HB3  GLU   2           HB1      GLU   2   6.862  11.221 -14.026
 1248    HG2  GLU   2           HG2      GLU   2   8.851  12.657 -14.070
 1249    HG3  GLU   2           HG1      GLU   2   9.526  11.738 -12.724
 1250    H    ASP   3           HN       ASP   3   7.597  14.414 -10.966
 1251    HA   ASP   3           HA       ASP   3   9.500  13.140  -9.229
 1252    HB2  ASP   3           HB2      ASP   3   9.814  15.420  -8.301
 1253    HB3  ASP   3           HB1      ASP   3   9.965  15.377 -10.053
 1254    H    THR   4           HN       THR   4   8.717  15.099  -6.989
 1255    HA   THR   4           HA       THR   4   7.164  13.209  -5.535
 1256    HB   THR   4           HB       THR   4   7.314  15.888  -4.386
 1257    HG1  THR   4           HG1      THR   4   9.297  15.880  -5.517
 1258   HG21  THR   4          HG21      THR   4   6.669  13.926  -3.082
 1259   HG22  THR   4          HG22      THR   4   8.158  14.630  -2.449
 1260   HG23  THR   4          HG23      THR   4   8.223  13.169  -3.441
 1261    H    TYR   5           HN       TYR   5   5.146  13.333  -4.795
 1262    HA   TYR   5           HA       TYR   5   3.336  15.219  -6.148
 1263    HB2  TYR   5           HB2      TYR   5   3.126  12.262  -5.777
 1264    HB3  TYR   5           HB1      TYR   5   1.721  13.270  -6.112
 1265    HD1  TYR   5           HD1      TYR   5   1.741  14.684  -8.223
 1266    HD2  TYR   5           HD2      TYR   5   4.529  11.552  -7.512
 1267    HE1  TYR   5           HE1      TYR   5   2.229  14.582 -10.629
 1268    HE2  TYR   5           HE2      TYR   5   5.024  11.438  -9.916
 1269    HH   TYR   5           HH       TYR   5   4.027  13.840 -12.109
 1270    H    TYR   6           HN       TYR   6   1.201  15.434  -4.881
 1271    HA   TYR   6           HA       TYR   6   1.624  14.747  -2.060
 1272    HB2  TYR   6           HB2      TYR   6  -0.297  16.871  -3.025
 1273    HB3  TYR   6           HB1      TYR   6   0.356  16.655  -1.408
 1274    HD1  TYR   6           HD2      TYR   6   3.243  16.294  -2.094
 1275    HD2  TYR   6           HD1      TYR   6   0.371  19.081  -3.527
 1276    HE1  TYR   6           HE2      TYR   6   5.049  17.881  -2.577
 1277    HE2  TYR   6           HE1      TYR   6   2.170  20.685  -4.025
 1278    HH   TYR   6           HH       TYR   6   5.443  19.825  -4.061
 1279    H    LEU   7           HN       LEU   7   0.339  13.416  -1.090
 1280    HA   LEU   7           HA       LEU   7  -2.072  12.448  -2.500
 1281    HB2  LEU   7           HB2      LEU   7   0.222  11.143  -1.737
 1282    HB3  LEU   7           HB1      LEU   7  -0.832  10.848  -0.382
 1283    HG   LEU   7           HG       LEU   7  -2.164   9.417  -1.551
 1284   HD11  LEU   7          HD11      LEU   7  -3.127  10.077  -3.411
 1285   HD12  LEU   7          HD12      LEU   7  -1.662   9.594  -4.266
 1286   HD13  LEU   7          HD13      LEU   7  -1.858  11.258  -3.717
 1287   HD21  LEU   7          HD21      LEU   7  -0.748   7.884  -2.637
 1288   HD22  LEU   7          HD22      LEU   7   0.263   8.740  -1.467
 1289   HD23  LEU   7          HD23      LEU   7   0.340   9.165  -3.178
 1290    H    GLN   8           HN       GLN   8  -3.805  13.496  -1.504
 1291    HA   GLN   8           HA       GLN   8  -3.711  13.948   1.295
 1292    HB2  GLN   8           HB2      GLN   8  -5.065  15.106  -0.749
 1293    HB3  GLN   8           HB1      GLN   8  -6.332  14.137  -0.009
 1294    HG2  GLN   8           HG2      GLN   8  -5.491  15.201   2.198
 1295    HG3  GLN   8           HG1      GLN   8  -4.786  16.409   1.128
 1296   HE21  GLN   8          HE21      GLN   8  -7.084  15.984  -0.783
 1297   HE22  GLN   8          HE22      GLN   8  -8.391  16.865  -0.083
 1298    H    VAL   9           HN       VAL   9  -4.059  12.504   2.783
 1299    HA   VAL   9           HA       VAL   9  -5.895  10.330   2.134
 1300    HB   VAL   9           HB       VAL   9  -3.299  10.224   3.653
 1301   HG11  VAL   9          HG11      VAL   9  -3.834   7.837   4.123
 1302   HG12  VAL   9          HG12      VAL   9  -5.496   8.173   3.637
 1303   HG13  VAL   9          HG13      VAL   9  -4.797   9.003   5.029
 1304   HG21  VAL   9          HG21      VAL   9  -4.333   8.617   1.325
 1305   HG22  VAL   9          HG22      VAL   9  -2.726   8.504   2.043
 1306   HG23  VAL   9          HG23      VAL   9  -3.222   9.981   1.216
 1307    H    ARG  10           HN       ARG  10  -7.561   9.993   3.495
 1308    HA   ARG  10           HA       ARG  10  -7.671  11.741   5.853
 1309    HB2  ARG  10           HB2      ARG  10  -9.487  11.718   3.973
 1310    HB3  ARG  10           HB1      ARG  10 -10.032  10.240   4.752
 1311    HG2  ARG  10           HG2      ARG  10  -9.648  12.708   6.382
 1312    HG3  ARG  10           HG1      ARG  10 -11.094  12.525   5.388
 1313    HD2  ARG  10           HD2      ARG  10 -11.591  10.406   6.515
 1314    HD3  ARG  10           HD1      ARG  10 -10.152  10.601   7.512
 1315    HE   ARG  10           HE       ARG  10 -11.771  12.874   7.800
 1316   HH11  ARG  10          HH11      ARG  10 -11.748   9.485   8.616
 1317   HH12  ARG  10          HH12      ARG  10 -12.726   9.689  10.031
 1318   HH21  ARG  10          HH21      ARG  10 -13.059  13.149   9.660
 1319   HH22  ARG  10          HH22      ARG  10 -13.473  11.770  10.623
 1320    H    GLY  11           HN       GLY  11  -8.043  11.000   7.859
 1321    HA2  GLY  11           HA2      GLY  11  -8.495   9.385   9.515
 1322    HA3  GLY  11           HA1      GLY  11  -8.512   8.146   8.267
 1323    H    ARG  12           HN       ARG  12  -6.900   9.092  10.901
 1324    HA   ARG  12           HA       ARG  12  -4.204   9.117  10.287
 1325    HB2  ARG  12           HB2      ARG  12  -5.422   9.430  12.559
 1326    HB3  ARG  12           HB1      ARG  12  -5.219   7.692  12.726
 1327    HG2  ARG  12           HG2      ARG  12  -3.405   8.679  13.852
 1328    HG3  ARG  12           HG1      ARG  12  -2.757   8.064  12.330
 1329    HD2  ARG  12           HD2      ARG  12  -2.985  10.335  11.368
 1330    HD3  ARG  12           HD1      ARG  12  -3.508  10.918  12.948
 1331    HE   ARG  12           HE       ARG  12  -0.883   9.633  12.656
 1332   HH11  ARG  12          HH11      ARG  12  -2.821  12.427  13.422
 1333   HH12  ARG  12          HH12      ARG  12  -1.494  13.326  14.078
 1334   HH21  ARG  12          HH21      ARG  12   0.867  10.809  13.523
 1335   HH22  ARG  12          HH22      ARG  12   0.601  12.406  14.137
 1336    H    GLU  13           HN       GLU  13  -6.171   6.195  10.954
 1337    HA   GLU  13           HA       GLU  13  -4.133   4.354  10.843
 1338    HB2  GLU  13           HB2      GLU  13  -6.408   3.777  11.496
 1339    HB3  GLU  13           HB1      GLU  13  -6.970   4.039   9.851
 1340    HG2  GLU  13           HG2      GLU  13  -5.816   2.133   9.053
 1341    HG3  GLU  13           HG1      GLU  13  -4.906   1.973  10.555
 1342    H    ASN  14           HN       ASN  14  -6.017   5.631   8.110
 1343    HA   ASN  14           HA       ASN  14  -4.747   4.045   6.115
 1344    HB2  ASN  14           HB2      ASN  14  -6.119   6.705   5.740
 1345    HB3  ASN  14           HB1      ASN  14  -5.874   5.444   4.536
 1346   HD21  ASN  14          HD21      ASN  14  -8.348   6.661   5.371
 1347   HD22  ASN  14          HD22      ASN  14  -9.344   5.389   5.984
 1348    H    PHE  15           HN       PHE  15  -4.227   7.366   7.270
 1349    HA   PHE  15           HA       PHE  15  -2.247   8.137   5.472
 1350    HB2  PHE  15           HB2      PHE  15  -3.406   9.660   7.031
 1351    HB3  PHE  15           HB1      PHE  15  -2.520   8.943   8.373
 1352    HD1  PHE  15           HD2      PHE  15  -1.344   9.948   4.975
 1353    HD2  PHE  15           HD1      PHE  15  -1.141  10.605   9.184
 1354    HE1  PHE  15           HE2      PHE  15   0.460  11.561   4.632
 1355    HE2  PHE  15           HE1      PHE  15   0.692  12.218   8.833
 1356    HZ   PHE  15           HZ       PHE  15   1.491  12.692   6.546
 1357    H    GLU  16           HN       GLU  16  -1.903   6.525   8.632
 1358    HA   GLU  16           HA       GLU  16   0.945   6.413   8.646
 1359    HB2  GLU  16           HB2      GLU  16  -1.094   4.647  10.012
 1360    HB3  GLU  16           HB1      GLU  16   0.629   4.662  10.362
 1361    HG2  GLU  16           HG2      GLU  16   0.458   6.998  11.069
 1362    HG3  GLU  16           HG1      GLU  16  -1.272   6.966  10.735
 1363    H    ILE  17           HN       ILE  17  -1.469   4.018   7.557
 1364    HA   ILE  17           HA       ILE  17   0.442   2.044   6.921
 1365    HB   ILE  17           HB       ILE  17  -2.398   2.497   6.337
 1366   HG12  ILE  17          HG12      ILE  17  -0.967  -0.110   6.747
 1367   HG13  ILE  17          HG11      ILE  17  -1.234   0.988   8.094
 1368   HG21  ILE  17          HG21      ILE  17  -2.508   0.788   4.575
 1369   HG22  ILE  17          HG22      ILE  17  -0.744   0.761   4.508
 1370   HG23  ILE  17          HG23      ILE  17  -1.622   2.222   4.049
 1371   HD11  ILE  17          HD11      ILE  17  -3.655   0.864   7.644
 1372   HD12  ILE  17          HD12      ILE  17  -2.937  -0.701   8.039
 1373   HD13  ILE  17          HD13      ILE  17  -3.318  -0.302   6.365
 1374    H    LEU  18           HN       LEU  18  -0.914   4.737   5.021
 1375    HA   LEU  18           HA       LEU  18   0.438   3.987   2.605
 1376    HB2  LEU  18           HB2      LEU  18  -1.148   6.353   3.536
 1377    HB3  LEU  18           HB1      LEU  18  -0.249   6.407   2.032
 1378    HG   LEU  18           HG       LEU  18  -2.059   4.090   2.383
 1379   HD11  LEU  18          HD11      LEU  18  -3.280   6.136   3.276
 1380   HD12  LEU  18          HD12      LEU  18  -4.050   5.258   1.956
 1381   HD13  LEU  18          HD13      LEU  18  -3.195   6.762   1.630
 1382   HD21  LEU  18          HD21      LEU  18  -0.797   4.328   0.351
 1383   HD22  LEU  18          HD22      LEU  18  -1.384   5.976   0.130
 1384   HD23  LEU  18          HD23      LEU  18  -2.500   4.616  -0.002
 1385    H    MET  19           HN       MET  19   1.031   6.222   5.292
 1386    HA   MET  19           HA       MET  19   3.156   7.602   4.097
 1387    HB2  MET  19           HB2      MET  19   1.852   7.997   6.403
 1388    HB3  MET  19           HB1      MET  19   3.237   7.141   7.055
 1389    HG2  MET  19           HG2      MET  19   3.293   9.712   5.486
 1390    HG3  MET  19           HG1      MET  19   3.561   9.520   7.214
 1391    HE1  MET  19           HE1      MET  19   6.936  10.523   5.242
 1392    HE2  MET  19           HE2      MET  19   5.832  11.099   6.490
 1393    HE3  MET  19           HE3      MET  19   5.264  10.911   4.829
 1394    H    LYS  20           HN       LYS  20   3.278   4.778   6.280
 1395    HA   LYS  20           HA       LYS  20   6.035   4.328   6.198
 1396    HB2  LYS  20           HB2      LYS  20   4.805   2.935   7.645
 1397    HB3  LYS  20           HB1      LYS  20   3.717   2.421   6.359
 1398    HG2  LYS  20           HG2      LYS  20   5.025   0.667   5.947
 1399    HG3  LYS  20           HG1      LYS  20   6.367   1.745   5.583
 1400    HD2  LYS  20           HD2      LYS  20   7.026   1.788   7.870
 1401    HD3  LYS  20           HD1      LYS  20   5.604   0.856   8.342
 1402    HE2  LYS  20           HE2      LYS  20   7.447  -0.646   8.287
 1403    HE3  LYS  20           HE1      LYS  20   6.443  -0.992   6.883
 1404    HZ1  LYS  20           HZ1      LYS  20   7.984   0.407   5.567
 1405    HZ2  LYS  20           HZ2      LYS  20   8.714  -0.978   6.207
 1406    HZ3  LYS  20           HZ3      LYS  20   8.991   0.530   6.922
 1407    H    LEU  21           HN       LEU  21   3.462   3.454   4.007
 1408    HA   LEU  21           HA       LEU  21   5.036   1.852   2.297
 1409    HB2  LEU  21           HB2      LEU  21   2.441   2.068   2.540
 1410    HB3  LEU  21           HB1      LEU  21   2.603   3.395   1.412
 1411    HG   LEU  21           HG       LEU  21   2.966   0.474   0.959
 1412   HD11  LEU  21          HD11      LEU  21   0.837   1.817   0.558
 1413   HD12  LEU  21          HD12      LEU  21   1.407   0.765  -0.736
 1414   HD13  LEU  21          HD13      LEU  21   1.688   2.502  -0.825
 1415   HD21  LEU  21          HD21      LEU  21   4.149   2.653  -0.748
 1416   HD22  LEU  21          HD22      LEU  21   3.940   0.977  -1.257
 1417   HD23  LEU  21          HD23      LEU  21   5.019   1.364   0.081
 1418    H    LYS  22           HN       LYS  22   4.142   5.271   2.189
 1419    HA   LYS  22           HA       LYS  22   5.242   5.936  -0.250
 1420    HB2  LYS  22           HB2      LYS  22   4.061   7.677   0.656
 1421    HB3  LYS  22           HB1      LYS  22   4.602   7.333   2.289
 1422    HG2  LYS  22           HG2      LYS  22   6.850   8.279   1.577
 1423    HG3  LYS  22           HG1      LYS  22   6.009   8.880   0.145
 1424    HD2  LYS  22           HD2      LYS  22   4.651  10.303   1.386
 1425    HD3  LYS  22           HD1      LYS  22   4.932   9.417   2.886
 1426    HE2  LYS  22           HE2      LYS  22   6.823  11.250   1.434
 1427    HE3  LYS  22           HE1      LYS  22   6.129  11.457   3.040
 1428    HZ1  LYS  22           HZ1      LYS  22   8.459  10.703   3.072
 1429    HZ2  LYS  22           HZ2      LYS  22   8.000   9.277   2.287
 1430    HZ3  LYS  22           HZ3      LYS  22   7.415   9.613   3.837
 1431    H    GLU  23           HN       GLU  23   6.697   5.557   2.926
 1432    HA   GLU  23           HA       GLU  23   9.317   6.370   2.169
 1433    HB2  GLU  23           HB2      GLU  23   8.358   4.646   4.464
 1434    HB3  GLU  23           HB1      GLU  23  10.008   5.224   4.279
 1435    HG2  GLU  23           HG2      GLU  23   9.294   7.503   4.510
 1436    HG3  GLU  23           HG1      GLU  23   7.604   7.015   4.515
 1437    H    SER  24           HN       SER  24   7.797   3.138   2.466
 1438    HA   SER  24           HA       SER  24  10.067   1.716   1.748
 1439    HB2  SER  24           HB2      SER  24   8.578  -0.151   1.194
 1440    HB3  SER  24           HB1      SER  24   8.045   0.647   2.670
 1441    HG   SER  24           HG       SER  24   6.232   0.438   1.487
 1442    H    LEU  25           HN       LEU  25   7.498   2.980  -0.376
 1443    HA   LEU  25           HA       LEU  25   8.550   1.972  -2.814
 1444    HB2  LEU  25           HB2      LEU  25   6.604   4.117  -2.071
 1445    HB3  LEU  25           HB1      LEU  25   7.189   4.016  -3.719
 1446    HG   LEU  25           HG       LEU  25   5.861   1.709  -2.301
 1447   HD11  LEU  25          HD11      LEU  25   3.880   2.304  -3.691
 1448   HD12  LEU  25          HD12      LEU  25   4.673   3.831  -4.076
 1449   HD13  LEU  25          HD13      LEU  25   4.239   3.458  -2.408
 1450   HD21  LEU  25          HD21      LEU  25   5.696   0.710  -4.431
 1451   HD22  LEU  25          HD22      LEU  25   7.357   1.291  -4.299
 1452   HD23  LEU  25          HD23      LEU  25   6.177   2.197  -5.250
 1453    H    GLU  26           HN       GLU  26   8.920   5.107  -1.196
 1454    HA   GLU  26           HA       GLU  26  10.511   6.262  -3.236
 1455    HB2  GLU  26           HB2      GLU  26  10.087   6.935  -0.335
 1456    HB3  GLU  26           HB1      GLU  26  11.212   7.843  -1.336
 1457    HG2  GLU  26           HG2      GLU  26   9.277   8.226  -2.921
 1458    HG3  GLU  26           HG1      GLU  26   8.237   7.593  -1.647
 1459    H    LEU  27           HN       LEU  27  11.305   4.592  -0.220
 1460    HA   LEU  27           HA       LEU  27  14.128   4.880  -0.385
 1461    HB2  LEU  27           HB2      LEU  27  12.293   3.040   1.105
 1462    HB3  LEU  27           HB1      LEU  27  14.030   2.805   1.140
 1463    HG   LEU  27           HG       LEU  27  12.712   5.394   1.952
 1464   HD11  LEU  27          HD11      LEU  27  11.933   3.584   3.401
 1465   HD12  LEU  27          HD12      LEU  27  13.007   4.688   4.257
 1466   HD13  LEU  27          HD13      LEU  27  13.606   3.120   3.715
 1467   HD21  LEU  27          HD21      LEU  27  15.052   5.584   1.331
 1468   HD22  LEU  27          HD22      LEU  27  15.466   4.261   2.422
 1469   HD23  LEU  27          HD23      LEU  27  14.858   5.784   3.072
 1470    H    MET  28           HN       MET  28  11.923   2.444  -1.751
 1471    HA   MET  28           HA       MET  28  13.847   0.591  -2.310
 1472    HB2  MET  28           HB2      MET  28  11.358   0.331  -2.717
 1473    HB3  MET  28           HB1      MET  28  11.574   1.228  -4.214
 1474    HG2  MET  28           HG2      MET  28  13.363  -0.596  -4.709
 1475    HG3  MET  28           HG1      MET  28  12.478  -1.512  -3.499
 1476    HE1  MET  28           HE1      MET  28   9.396  -1.384  -3.950
 1477    HE2  MET  28           HE2      MET  28  10.529  -2.720  -3.775
 1478    HE3  MET  28           HE3      MET  28   9.389  -2.699  -5.122
 1479    H    GLU  29           HN       GLU  29  13.764   3.744  -3.539
 1480    HA   GLU  29           HA       GLU  29  15.196   3.094  -5.987
 1481    HB2  GLU  29           HB2      GLU  29  14.805   5.252  -6.655
 1482    HB3  GLU  29           HB1      GLU  29  13.419   4.977  -5.610
 1483    HG2  GLU  29           HG2      GLU  29  14.646   6.103  -3.773
 1484    HG3  GLU  29           HG1      GLU  29  15.938   6.469  -4.914
 1485    H    LEU  30           HN       LEU  30  15.892   4.039  -2.712
 1486    HA   LEU  30           HA       LEU  30  18.533   5.033  -3.409
 1487    HB2  LEU  30           HB2      LEU  30  18.475   6.171  -1.494
 1488    HB3  LEU  30           HB1      LEU  30  16.771   5.775  -1.480
 1489    HG   LEU  30           HG       LEU  30  18.892   4.184  -0.047
 1490   HD11  LEU  30          HD11      LEU  30  16.964   6.244   1.013
 1491   HD12  LEU  30          HD12      LEU  30  18.713   6.428   0.884
 1492   HD13  LEU  30          HD13      LEU  30  18.031   5.235   1.989
 1493   HD21  LEU  30          HD21      LEU  30  16.881   3.322   1.191
 1494   HD22  LEU  30          HD22      LEU  30  17.031   2.788  -0.482
 1495   HD23  LEU  30          HD23      LEU  30  15.893   4.068  -0.062
 1496    H    VAL  31           HN       VAL  31  17.308   2.088  -3.224
 1497    HA   VAL  31           HA       VAL  31  19.573   0.947  -1.749
 1498    HB   VAL  31           HB       VAL  31  17.521  -0.056  -1.058
 1499   HG11  VAL  31          HG11      VAL  31  15.970  -1.141  -2.594
 1500   HG12  VAL  31          HG12      VAL  31  16.957  -0.628  -3.963
 1501   HG13  VAL  31          HG13      VAL  31  16.139   0.575  -2.966
 1502   HG21  VAL  31          HG21      VAL  31  19.079  -1.741  -1.044
 1503   HG22  VAL  31          HG22      VAL  31  19.292  -1.711  -2.793
 1504   HG23  VAL  31          HG23      VAL  31  17.850  -2.440  -2.096
 1505    HA   PRO  32           HA       PRO  32  21.906   0.540  -5.503
 1506    HB2  PRO  32           HB2      PRO  32  22.667  -1.998  -4.086
 1507    HB3  PRO  32           HB1      PRO  32  23.697  -0.855  -4.958
 1508    HG2  PRO  32           HG2      PRO  32  23.546  -0.811  -2.290
 1509    HG3  PRO  32           HG1      PRO  32  23.683   0.685  -3.230
 1510    HD2  PRO  32           HD2      PRO  32  21.363  -0.403  -1.756
 1511    HD3  PRO  32           HD1      PRO  32  21.725   1.274  -2.213
 1512    H    GLN  33           HN       GLN  33  21.239  -0.234  -7.401
 1513    HA   GLN  33           HA       GLN  33  19.045  -1.795  -7.842
 1514    HB2  GLN  33           HB2      GLN  33  20.113  -0.432  -9.567
 1515    HB3  GLN  33           HB1      GLN  33  21.465  -1.553  -9.634
 1516    HG2  GLN  33           HG2      GLN  33  19.967  -3.316 -10.414
 1517    HG3  GLN  33           HG1      GLN  33  18.611  -2.192 -10.347
 1518   HE21  GLN  33          HE21      GLN  33  21.529  -3.075 -12.015
 1519   HE22  GLN  33          HE22      GLN  33  21.253  -2.119 -13.427
 1520    HA   PRO  34           HA       PRO  34  22.043  -5.688  -8.418
 1521    HB2  PRO  34           HB2      PRO  34  23.860  -5.023  -6.156
 1522    HB3  PRO  34           HB1      PRO  34  24.212  -5.840  -7.683
 1523    HG2  PRO  34           HG2      PRO  34  24.955  -3.319  -7.308
 1524    HG3  PRO  34           HG1      PRO  34  24.314  -3.848  -8.876
 1525    HD2  PRO  34           HD2      PRO  34  22.975  -2.286  -6.706
 1526    HD3  PRO  34           HD1      PRO  34  22.858  -2.098  -8.467
 1527    H    LEU  35           HN       LEU  35  21.248  -4.126  -5.350
 1528    HA   LEU  35           HA       LEU  35  20.934  -6.600  -3.917
 1529    HB2  LEU  35           HB2      LEU  35  20.700  -3.714  -3.327
 1530    HB3  LEU  35           HB1      LEU  35  19.654  -4.761  -2.391
 1531    HG   LEU  35           HG       LEU  35  22.522  -5.497  -2.563
 1532   HD11  LEU  35          HD11      LEU  35  21.507  -3.291  -0.777
 1533   HD12  LEU  35          HD12      LEU  35  22.558  -3.064  -2.174
 1534   HD13  LEU  35          HD13      LEU  35  23.131  -3.978  -0.779
 1535   HD21  LEU  35          HD21      LEU  35  20.468  -5.547  -0.351
 1536   HD22  LEU  35          HD22      LEU  35  22.106  -6.198  -0.253
 1537   HD23  LEU  35          HD23      LEU  35  20.939  -6.913  -1.365
 1538    H    VAL  36           HN       VAL  36  18.869  -4.377  -5.657
 1539    HA   VAL  36           HA       VAL  36  16.412  -5.495  -4.678
 1540    HB   VAL  36           HB       VAL  36  17.003  -3.730  -7.061
 1541   HG11  VAL  36          HG11      VAL  36  15.093  -5.077  -7.651
 1542   HG12  VAL  36          HG12      VAL  36  14.544  -3.449  -7.251
 1543   HG13  VAL  36          HG13      VAL  36  14.339  -4.759  -6.088
 1544   HG21  VAL  36          HG21      VAL  36  17.226  -2.657  -4.884
 1545   HG22  VAL  36          HG22      VAL  36  15.605  -3.194  -4.440
 1546   HG23  VAL  36          HG23      VAL  36  15.822  -2.029  -5.748
 1547    H    ASP  37           HN       ASP  37  18.456  -6.011  -7.502
 1548    HA   ASP  37           HA       ASP  37  16.773  -7.789  -8.872
 1549    HB2  ASP  37           HB2      ASP  37  18.837  -6.804  -9.840
 1550    HB3  ASP  37           HB1      ASP  37  19.800  -7.799  -8.751
 1551    H    SER  38           HN       SER  38  19.335  -8.371  -6.455
 1552    HA   SER  38           HA       SER  38  19.131 -11.147  -6.397
 1553    HB2  SER  38           HB2      SER  38  19.993  -9.167  -4.291
 1554    HB3  SER  38           HB1      SER  38  20.135 -10.913  -4.079
 1555    HG   SER  38           HG       SER  38  21.714 -10.972  -5.511
 1556    H    TYR  39           HN       TYR  39  17.422  -8.722  -4.418
 1557    HA   TYR  39           HA       TYR  39  16.059 -10.531  -2.763
 1558    HB2  TYR  39           HB2      TYR  39  15.970  -8.331  -2.007
 1559    HB3  TYR  39           HB1      TYR  39  15.566  -7.693  -3.598
 1560    HD1  TYR  39           HD2      TYR  39  14.216  -9.519  -0.681
 1561    HD2  TYR  39           HD1      TYR  39  13.302  -7.463  -4.289
 1562    HE1  TYR  39           HE2      TYR  39  11.835  -9.520  -0.074
 1563    HE2  TYR  39           HE1      TYR  39  10.929  -7.465  -3.701
 1564    HH   TYR  39           HH       TYR  39   9.377  -8.736  -2.284
 1565    H    ARG  40           HN       ARG  40  15.122  -9.014  -5.822
 1566    HA   ARG  40           HA       ARG  40  12.539 -10.018  -6.015
 1567    HB2  ARG  40           HB2      ARG  40  14.559  -9.214  -8.078
 1568    HB3  ARG  40           HB1      ARG  40  12.978  -9.831  -8.545
 1569    HG2  ARG  40           HG2      ARG  40  11.938  -8.049  -7.170
 1570    HG3  ARG  40           HG1      ARG  40  13.551  -7.394  -6.880
 1571    HD2  ARG  40           HD2      ARG  40  12.508  -6.188  -8.679
 1572    HD3  ARG  40           HD1      ARG  40  13.848  -7.142  -9.308
 1573    HE   ARG  40           HE       ARG  40  11.374  -8.538  -9.506
 1574   HH11  ARG  40          HH11      ARG  40  13.303  -6.049 -10.999
 1575   HH12  ARG  40          HH12      ARG  40  12.605  -6.270 -12.569
 1576   HH21  ARG  40          HH21      ARG  40  10.448  -8.834 -11.570
 1577   HH22  ARG  40          HH22      ARG  40  10.983  -7.852 -12.893
 1578    H    GLN  41           HN       GLN  41  15.621 -11.521  -6.739
 1579    HA   GLN  41           HA       GLN  41  14.615 -13.842  -8.033
 1580    HB2  GLN  41           HB2      GLN  41  17.002 -13.100  -8.073
 1581    HB3  GLN  41           HB1      GLN  41  17.134 -13.585  -6.387
 1582    HG2  GLN  41           HG2      GLN  41  18.020 -15.353  -7.654
 1583    HG3  GLN  41           HG1      GLN  41  16.429 -15.882  -7.108
 1584   HE21  GLN  41          HE21      GLN  41  14.752 -16.068  -8.599
 1585   HE22  GLN  41          HE22      GLN  41  15.041 -16.124 -10.301
 1586    H    GLN  42           HN       GLN  42  15.350 -13.083  -4.646
 1587    HA   GLN  42           HA       GLN  42  14.809 -15.616  -3.578
 1588    HB2  GLN  42           HB2      GLN  42  15.891 -13.761  -2.325
 1589    HB3  GLN  42           HB1      GLN  42  14.346 -12.924  -2.273
 1590    HG2  GLN  42           HG2      GLN  42  13.392 -14.766  -0.980
 1591    HG3  GLN  42           HG1      GLN  42  14.945 -15.598  -1.028
 1592   HE21  GLN  42          HE21      GLN  42  15.131 -15.603   1.203
 1593   HE22  GLN  42          HE22      GLN  42  15.491 -14.174   2.105
 1594    H    GLN  43           HN       GLN  43  12.769 -13.064  -4.692
 1595    HA   GLN  43           HA       GLN  43  10.349 -14.147  -3.540
 1596    HB2  GLN  43           HB2      GLN  43  10.526 -11.745  -3.775
 1597    HB3  GLN  43           HB1      GLN  43  10.862 -11.895  -5.492
 1598    HG2  GLN  43           HG2      GLN  43   8.303 -12.983  -4.446
 1599    HG3  GLN  43           HG1      GLN  43   8.484 -11.237  -4.602
 1600   HE21  GLN  43          HE21      GLN  43   8.796 -10.338  -6.660
 1601   HE22  GLN  43          HE22      GLN  43   8.366 -11.197  -8.096
 1602    H    GLN  44           HN       GLN  44  12.017 -14.084  -6.624
 1603    HA   GLN  44           HA       GLN  44  10.005 -15.131  -8.259
 1604    HB2  GLN  44           HB2      GLN  44  13.009 -15.228  -8.409
 1605    HB3  GLN  44           HB1      GLN  44  12.007 -16.015  -9.621
 1606    HG2  GLN  44           HG2      GLN  44  11.854 -13.095  -8.919
 1607    HG3  GLN  44           HG1      GLN  44  12.779 -13.756 -10.265
 1608   HE21  GLN  44          HE21      GLN  44   9.606 -13.099  -9.008
 1609   HE22  GLN  44          HE22      GLN  44   8.749 -13.333 -10.490
 1610    H    LEU  45           HN       LEU  45  11.959 -16.573  -5.835
 1611    HA   LEU  45           HA       LEU  45  12.025 -19.238  -6.596
 1612    HB2  LEU  45           HB2      LEU  45  13.255 -18.653  -4.686
 1613    HB3  LEU  45           HB1      LEU  45  11.879 -17.877  -3.926
 1614    HG   LEU  45           HG       LEU  45  10.845 -20.203  -3.758
 1615   HD11  LEU  45          HD11      LEU  45  13.692 -20.973  -4.386
 1616   HD12  LEU  45          HD12      LEU  45  12.256 -21.361  -5.335
 1617   HD13  LEU  45          HD13      LEU  45  12.468 -22.061  -3.730
 1618   HD21  LEU  45          HD21      LEU  45  12.092 -20.719  -1.720
 1619   HD22  LEU  45          HD22      LEU  45  11.746 -18.993  -1.842
 1620   HD23  LEU  45          HD23      LEU  45  13.363 -19.597  -2.209
 1621    H    LEU  46           HN       LEU  46   9.520 -17.529  -4.722
 1622    HA   LEU  46           HA       LEU  46   7.457 -19.130  -5.870
 1623    HB2  LEU  46           HB2      LEU  46   6.644 -20.169  -3.824
 1624    HB3  LEU  46           HB1      LEU  46   8.252 -20.730  -4.231
 1625    HG   LEU  46           HG       LEU  46   8.816 -18.680  -2.513
 1626   HD11  LEU  46          HD11      LEU  46   7.334 -18.970  -0.578
 1627   HD12  LEU  46          HD12      LEU  46   6.291 -20.014  -1.543
 1628   HD13  LEU  46          HD13      LEU  46   6.477 -18.314  -1.972
 1629   HD21  LEU  46          HD21      LEU  46   9.745 -20.974  -2.544
 1630   HD22  LEU  46          HD22      LEU  46   8.286 -21.544  -1.735
 1631   HD23  LEU  46          HD23      LEU  46   9.358 -20.404  -0.921
 1632    H    GLN  47           HN       GLN  47   5.883 -17.727  -6.199
 1633    HA   GLN  47           HA       GLN  47   5.593 -15.415  -4.449
 1634    HB2  GLN  47           HB2      GLN  47   5.616 -15.148  -6.928
 1635    HB3  GLN  47           HB1      GLN  47   4.121 -16.073  -7.008
 1636    HG2  GLN  47           HG2      GLN  47   3.946 -13.538  -7.079
 1637    HG3  GLN  47           HG1      GLN  47   2.886 -14.397  -5.960
 1638   HE21  GLN  47          HE21      GLN  47   2.622 -12.685  -4.579
 1639   HE22  GLN  47          HE22      GLN  47   3.890 -12.078  -3.576
 1640    H    ARG  48           HN       ARG  48   4.934 -17.320  -2.880
 1641    HA   ARG  48           HA       ARG  48   2.010 -17.240  -2.757
 1642    HB2  ARG  48           HB2      ARG  48   3.669 -19.738  -2.375
 1643    HB3  ARG  48           HB1      ARG  48   1.950 -19.609  -2.032
 1644    HG2  ARG  48           HG2      ARG  48   1.524 -19.128  -4.390
 1645    HG3  ARG  48           HG1      ARG  48   3.249 -19.288  -4.725
 1646    HD2  ARG  48           HD2      ARG  48   2.060 -21.337  -5.293
 1647    HD3  ARG  48           HD1      ARG  48   3.183 -21.609  -3.961
 1648    HE   ARG  48           HE       ARG  48   0.525 -20.990  -3.084
 1649   HH11  ARG  48          HH11      ARG  48   2.636 -23.538  -4.178
 1650   HH12  ARG  48          HH12      ARG  48   1.733 -24.794  -3.400
 1651   HH21  ARG  48          HH21      ARG  48  -0.668 -22.636  -2.056
 1652   HH22  ARG  48          HH22      ARG  48  -0.145 -24.282  -2.194
  Start of MODEL   10
    1    H    ASP   1           HT1      ASP   1   5.314 -17.043  15.184
    2    HA   ASP   1           HA       ASP   1   7.204 -15.977  14.143
    3    HB2  ASP   1           HB2      ASP   1   5.427 -17.531  12.246
    4    HB3  ASP   1           HB1      ASP   1   7.151 -17.256  12.014
    5    H    GLU   2           HN       GLU   2   7.285 -13.792  13.850
    6    HA   GLU   2           HA       GLU   2   5.593 -12.413  11.987
    7    HB2  GLU   2           HB2      GLU   2   6.992 -10.456  12.521
    8    HB3  GLU   2           HB1      GLU   2   6.411 -11.269  13.967
    9    HG2  GLU   2           HG2      GLU   2   8.569 -12.326  14.274
   10    HG3  GLU   2           HG1      GLU   2   9.159 -11.593  12.783
   11    H    ASP   3           HN       ASP   3   7.491 -14.619  11.065
   12    HA   ASP   3           HA       ASP   3   9.387 -13.306   9.370
   13    HB2  ASP   3           HB2      ASP   3   8.363 -16.147   9.205
   14    HB3  ASP   3           HB1      ASP   3   9.834 -15.516   8.471
   15    H    THR   4           HN       THR   4   8.605 -15.268   7.106
   16    HA   THR   4           HA       THR   4   7.111 -13.339   5.633
   17    HB   THR   4           HB       THR   4   7.249 -16.033   4.493
   18    HG1  THR   4           HG1      THR   4   9.668 -15.048   4.128
   19   HG21  THR   4          HG21      THR   4   6.557 -14.104   3.174
   20   HG22  THR   4          HG22      THR   4   8.064 -14.769   2.541
   21   HG23  THR   4          HG23      THR   4   8.090 -13.302   3.524
   22    H    TYR   5           HN       TYR   5   5.106 -13.414   4.851
   23    HA   TYR   5           HA       TYR   5   3.227 -15.263   6.165
   24    HB2  TYR   5           HB2      TYR   5   3.103 -12.302   5.789
   25    HB3  TYR   5           HB1      TYR   5   1.658 -13.268   6.068
   26    HD1  TYR   5           HD1      TYR   5   1.481 -14.607   8.183
   27    HD2  TYR   5           HD2      TYR   5   4.532 -11.708   7.570
   28    HE1  TYR   5           HE1      TYR   5   1.868 -14.513  10.606
   29    HE2  TYR   5           HE2      TYR   5   4.932 -11.605   9.994
   30    HH   TYR   5           HH       TYR   5   3.629 -13.899  12.161
   31    H    TYR   6           HN       TYR   6   1.135 -15.470   4.871
   32    HA   TYR   6           HA       TYR   6   1.587 -14.786   2.054
   33    HB2  TYR   6           HB2      TYR   6  -0.344 -16.905   3.017
   34    HB3  TYR   6           HB1      TYR   6   0.303 -16.689   1.397
   35    HD1  TYR   6           HD1      TYR   6   3.197 -16.327   2.105
   36    HD2  TYR   6           HD2      TYR   6   0.313 -19.130   3.481
   37    HE1  TYR   6           HE1      TYR   6   4.998 -17.921   2.583
   38    HE2  TYR   6           HE2      TYR   6   2.106 -20.741   3.972
   39    HH   TYR   6           HH       TYR   6   5.379 -19.885   4.045
   40    H    LEU   7           HN       LEU   7   0.307 -13.446   1.075
   41    HA   LEU   7           HA       LEU   7  -2.099 -12.463   2.484
   42    HB2  LEU   7           HB2      LEU   7   0.202 -11.182   1.680
   43    HB3  LEU   7           HB1      LEU   7  -0.882 -10.870   0.355
   44    HG   LEU   7           HG       LEU   7  -2.105  -9.382   1.529
   45   HD11  LEU   7          HD11      LEU   7  -1.898 -11.285   3.700
   46   HD12  LEU   7          HD12      LEU   7  -3.190 -10.161   3.296
   47   HD13  LEU   7          HD13      LEU   7  -1.803  -9.608   4.235
   48   HD21  LEU   7          HD21      LEU   7  -0.674  -7.982   2.778
   49   HD22  LEU   7          HD22      LEU   7   0.314  -8.787   1.554
   50   HD23  LEU   7          HD23      LEU   7   0.358  -9.340   3.228
   51    H    GLN   8           HN       GLN   8  -3.847 -13.505   1.496
   52    HA   GLN   8           HA       GLN   8  -3.764 -13.963  -1.301
   53    HB2  GLN   8           HB2      GLN   8  -5.131 -15.083   0.770
   54    HB3  GLN   8           HB1      GLN   8  -6.388 -14.138  -0.017
   55    HG2  GLN   8           HG2      GLN   8  -5.502 -15.250  -2.178
   56    HG3  GLN   8           HG1      GLN   8  -4.806 -16.427  -1.067
   57   HE21  GLN   8          HE21      GLN   8  -7.147 -15.966   0.785
   58   HE22  GLN   8          HE22      GLN   8  -8.422 -16.897   0.091
   59    H    VAL   9           HN       VAL   9  -4.076 -12.520  -2.782
   60    HA   VAL   9           HA       VAL   9  -5.918 -10.344  -2.174
   61    HB   VAL   9           HB       VAL   9  -3.332 -10.263  -3.721
   62   HG11  VAL   9          HG11      VAL   9  -5.511  -8.196  -3.675
   63   HG12  VAL   9          HG12      VAL   9  -4.849  -9.044  -5.074
   64   HG13  VAL   9          HG13      VAL   9  -3.856  -7.879  -4.198
   65   HG21  VAL   9          HG21      VAL   9  -2.644  -8.630  -2.131
   66   HG22  VAL   9          HG22      VAL   9  -3.310 -10.000  -1.241
   67   HG23  VAL   9          HG23      VAL   9  -4.266  -8.532  -1.447
   68    H    ARG  10           HN       ARG  10  -7.599 -10.054  -3.552
   69    HA   ARG  10           HA       ARG  10  -7.658 -11.824  -5.895
   70    HB2  ARG  10           HB2      ARG  10  -9.476 -11.847  -4.037
   71    HB3  ARG  10           HB1      ARG  10 -10.047 -10.364  -4.787
   72    HG2  ARG  10           HG2      ARG  10  -9.638 -12.817  -6.441
   73    HG3  ARG  10           HG1      ARG  10 -11.093 -12.633  -5.460
   74    HD2  ARG  10           HD2      ARG  10 -11.525 -10.470  -6.581
   75    HD3  ARG  10           HD1      ARG  10 -10.122 -10.753  -7.609
   76    HE   ARG  10           HE       ARG  10 -11.758 -12.968  -7.881
   77   HH11  ARG  10          HH11      ARG  10 -11.948  -9.544  -8.494
   78   HH12  ARG  10          HH12      ARG  10 -13.056  -9.711  -9.815
   79   HH21  ARG  10          HH21      ARG  10 -13.215 -13.199  -9.617
   80   HH22  ARG  10          HH22      ARG  10 -13.775 -11.790 -10.454
   81    H    GLY  11           HN       GLY  11  -7.942 -11.102  -7.912
   82    HA2  GLY  11           HA2      GLY  11  -8.430  -9.510  -9.589
   83    HA3  GLY  11           HA1      GLY  11  -8.485  -8.258  -8.354
   84    H    ARG  12           HN       ARG  12  -6.837  -9.164 -10.962
   85    HA   ARG  12           HA       ARG  12  -4.146  -9.171 -10.332
   86    HB2  ARG  12           HB2      ARG  12  -5.371  -9.447 -12.615
   87    HB3  ARG  12           HB1      ARG  12  -5.131  -7.711 -12.757
   88    HG2  ARG  12           HG2      ARG  12  -3.327  -8.710 -13.877
   89    HG3  ARG  12           HG1      ARG  12  -2.681  -8.147 -12.336
   90    HD2  ARG  12           HD2      ARG  12  -2.937 -10.421 -11.429
   91    HD3  ARG  12           HD1      ARG  12  -3.513 -10.966 -13.004
   92    HE   ARG  12           HE       ARG  12  -0.831  -9.795 -12.697
   93   HH11  ARG  12          HH11      ARG  12  -2.919 -12.411 -13.665
   94   HH12  ARG  12          HH12      ARG  12  -1.650 -13.315 -14.421
   95   HH21  ARG  12          HH21      ARG  12   0.844 -10.977 -13.690
   96   HH22  ARG  12          HH22      ARG  12   0.489 -12.499 -14.435
   97    H    GLU  13           HN       GLU  13  -6.116  -6.251 -11.007
   98    HA   GLU  13           HA       GLU  13  -4.080  -4.410 -10.850
   99    HB2  GLU  13           HB2      GLU  13  -6.360  -3.852 -11.544
  100    HB3  GLU  13           HB1      GLU  13  -6.928  -4.076  -9.896
  101    HG2  GLU  13           HG2      GLU  13  -5.642  -2.191  -9.142
  102    HG3  GLU  13           HG1      GLU  13  -4.907  -2.012 -10.735
  103    H    ASN  14           HN       ASN  14  -6.024  -5.687  -8.159
  104    HA   ASN  14           HA       ASN  14  -4.810  -4.108  -6.131
  105    HB2  ASN  14           HB2      ASN  14  -6.147  -6.803  -5.832
  106    HB3  ASN  14           HB1      ASN  14  -5.908  -5.593  -4.575
  107   HD21  ASN  14          HD21      ASN  14  -8.379  -6.765  -5.386
  108   HD22  ASN  14          HD22      ASN  14  -9.385  -5.489  -5.970
  109    H    PHE  15           HN       PHE  15  -4.236  -7.403  -7.304
  110    HA   PHE  15           HA       PHE  15  -2.274  -8.170  -5.494
  111    HB2  PHE  15           HB2      PHE  15  -3.391  -9.669  -7.123
  112    HB3  PHE  15           HB1      PHE  15  -2.453  -8.929  -8.415
  113    HD1  PHE  15           HD2      PHE  15  -1.371  -9.955  -4.994
  114    HD2  PHE  15           HD1      PHE  15  -1.082 -10.617  -9.198
  115    HE1  PHE  15           HE2      PHE  15   0.423 -11.568  -4.612
  116    HE2  PHE  15           HE1      PHE  15   0.741 -12.230  -8.806
  117    HZ   PHE  15           HZ       PHE  15   1.490 -12.702  -6.504
  118    H    GLU  16           HN       GLU  16  -1.912  -6.496  -8.607
  119    HA   GLU  16           HA       GLU  16   0.919  -6.344  -8.613
  120    HB2  GLU  16           HB2      GLU  16  -1.156  -4.576  -9.916
  121    HB3  GLU  16           HB1      GLU  16   0.569  -4.500 -10.246
  122    HG2  GLU  16           HG2      GLU  16   0.537  -6.765 -11.099
  123    HG3  GLU  16           HG1      GLU  16  -1.175  -6.909 -10.704
  124    H    ILE  17           HN       ILE  17  -1.503  -3.999  -7.391
  125    HA   ILE  17           HA       ILE  17   0.427  -2.047  -6.733
  126    HB   ILE  17           HB       ILE  17  -2.408  -2.490  -6.096
  127   HG12  ILE  17          HG12      ILE  17  -0.987   0.122  -6.498
  128   HG13  ILE  17          HG11      ILE  17  -1.254  -0.961  -7.857
  129   HG21  ILE  17          HG21      ILE  17  -2.468  -0.815  -4.306
  130   HG22  ILE  17          HG22      ILE  17  -0.703  -0.760  -4.305
  131   HG23  ILE  17          HG23      ILE  17  -1.540  -2.239  -3.826
  132   HD11  ILE  17          HD11      ILE  17  -3.625  -0.805  -7.586
  133   HD12  ILE  17          HD12      ILE  17  -2.951   0.828  -7.611
  134   HD13  ILE  17          HD13      ILE  17  -3.439   0.097  -6.080
  135    H    LEU  18           HN       LEU  18  -0.929  -4.761  -4.847
  136    HA   LEU  18           HA       LEU  18   0.450  -4.031  -2.443
  137    HB2  LEU  18           HB2      LEU  18  -1.138  -6.391  -3.381
  138    HB3  LEU  18           HB1      LEU  18  -0.206  -6.477  -1.899
  139    HG   LEU  18           HG       LEU  18  -1.872  -4.103  -1.967
  140   HD11  LEU  18          HD11      LEU  18  -3.389  -5.373  -3.305
  141   HD12  LEU  18          HD12      LEU  18  -4.007  -5.359  -1.654
  142   HD13  LEU  18          HD13      LEU  18  -3.190  -6.790  -2.280
  143   HD21  LEU  18          HD21      LEU  18  -1.583  -6.480  -0.139
  144   HD22  LEU  18          HD22      LEU  18  -2.618  -5.094   0.202
  145   HD23  LEU  18          HD23      LEU  18  -0.875  -4.876   0.059
  146    H    MET  19           HN       MET  19   0.944  -6.335  -5.088
  147    HA   MET  19           HA       MET  19   3.125  -7.693  -3.983
  148    HB2  MET  19           HB2      MET  19   1.728  -8.103  -6.221
  149    HB3  MET  19           HB1      MET  19   3.041  -7.195  -6.945
  150    HG2  MET  19           HG2      MET  19   3.174  -9.835  -5.528
  151    HG3  MET  19           HG1      MET  19   3.519  -9.482  -7.215
  152    HE1  MET  19           HE1      MET  19   5.777 -11.080  -6.569
  153    HE2  MET  19           HE2      MET  19   5.164 -11.078  -4.914
  154    HE3  MET  19           HE3      MET  19   6.839 -10.623  -5.237
  155    H    LYS  20           HN       LYS  20   3.077  -4.896  -6.145
  156    HA   LYS  20           HA       LYS  20   5.822  -4.399  -6.254
  157    HB2  LYS  20           HB2      LYS  20   3.732  -3.263  -7.406
  158    HB3  LYS  20           HB1      LYS  20   3.893  -2.136  -6.067
  159    HG2  LYS  20           HG2      LYS  20   6.234  -2.828  -7.801
  160    HG3  LYS  20           HG1      LYS  20   5.072  -1.586  -8.272
  161    HD2  LYS  20           HD2      LYS  20   5.492  -0.475  -6.072
  162    HD3  LYS  20           HD1      LYS  20   6.783  -1.645  -5.791
  163    HE2  LYS  20           HE2      LYS  20   6.656   0.177  -8.186
  164    HE3  LYS  20           HE1      LYS  20   7.537   0.559  -6.708
  165    HZ1  LYS  20           HZ1      LYS  20   9.013  -0.386  -8.344
  166    HZ2  LYS  20           HZ2      LYS  20   8.038  -1.759  -8.495
  167    HZ3  LYS  20           HZ3      LYS  20   8.856  -1.460  -7.046
  168    H    LEU  21           HN       LEU  21   3.381  -3.585  -3.860
  169    HA   LEU  21           HA       LEU  21   5.108  -1.980  -2.284
  170    HB2  LEU  21           HB2      LEU  21   2.849  -1.509  -1.971
  171    HB3  LEU  21           HB1      LEU  21   2.408  -3.200  -1.865
  172    HG   LEU  21           HG       LEU  21   3.246  -3.356   0.380
  173   HD11  LEU  21          HD11      LEU  21   4.691  -0.943  -0.355
  174   HD12  LEU  21          HD12      LEU  21   5.048  -2.149   0.879
  175   HD13  LEU  21          HD13      LEU  21   3.921  -0.839   1.228
  176   HD21  LEU  21          HD21      LEU  21   1.831  -1.696   1.516
  177   HD22  LEU  21          HD22      LEU  21   1.007  -2.472   0.163
  178   HD23  LEU  21          HD23      LEU  21   1.644  -0.838  -0.013
  179    H    LYS  22           HN       LYS  22   4.232  -5.411  -2.129
  180    HA   LYS  22           HA       LYS  22   5.378  -6.028   0.330
  181    HB2  LYS  22           HB2      LYS  22   4.057  -7.687  -0.798
  182    HB3  LYS  22           HB1      LYS  22   5.110  -7.651  -2.207
  183    HG2  LYS  22           HG2      LYS  22   6.683  -8.309   0.068
  184    HG3  LYS  22           HG1      LYS  22   5.251  -9.337   0.055
  185    HD2  LYS  22           HD2      LYS  22   6.923  -8.934  -2.404
  186    HD3  LYS  22           HD1      LYS  22   7.320 -10.164  -1.203
  187    HE2  LYS  22           HE2      LYS  22   4.813 -10.837  -1.495
  188    HE3  LYS  22           HE1      LYS  22   4.964  -9.979  -3.027
  189    HZ1  LYS  22           HZ1      LYS  22   6.603 -12.285  -2.127
  190    HZ2  LYS  22           HZ2      LYS  22   6.868 -11.420  -3.555
  191    HZ3  LYS  22           HZ3      LYS  22   5.435 -12.294  -3.351
  192    H    GLU  23           HN       GLU  23   6.724  -5.701  -2.871
  193    HA   GLU  23           HA       GLU  23   9.370  -6.511  -2.245
  194    HB2  GLU  23           HB2      GLU  23   8.845  -6.558  -4.530
  195    HB3  GLU  23           HB1      GLU  23   8.062  -4.986  -4.480
  196    HG2  GLU  23           HG2      GLU  23  10.143  -3.861  -4.395
  197    HG3  GLU  23           HG1      GLU  23  11.020  -5.369  -4.136
  198    H    SER  24           HN       SER  24   7.840  -3.285  -2.396
  199    HA   SER  24           HA       SER  24  10.164  -1.916  -1.710
  200    HB2  SER  24           HB2      SER  24   7.413  -0.985  -0.918
  201    HB3  SER  24           HB1      SER  24   8.820   0.000  -1.306
  202    HG   SER  24           HG       SER  24   8.649  -1.030  -3.462
  203    H    LEU  25           HN       LEU  25   7.552  -3.092   0.425
  204    HA   LEU  25           HA       LEU  25   8.621  -2.087   2.855
  205    HB2  LEU  25           HB2      LEU  25   6.577  -4.108   2.091
  206    HB3  LEU  25           HB1      LEU  25   7.190  -4.131   3.732
  207    HG   LEU  25           HG       LEU  25   5.986  -1.680   2.450
  208   HD11  LEU  25          HD11      LEU  25   4.002  -2.210   3.861
  209   HD12  LEU  25          HD12      LEU  25   4.706  -3.798   4.165
  210   HD13  LEU  25          HD13      LEU  25   4.261  -3.330   2.525
  211   HD21  LEU  25          HD21      LEU  25   7.516  -1.324   4.367
  212   HD22  LEU  25          HD22      LEU  25   6.470  -2.357   5.346
  213   HD23  LEU  25          HD23      LEU  25   5.853  -0.839   4.697
  214    H    GLU  26           HN       GLU  26   8.940  -5.270   1.306
  215    HA   GLU  26           HA       GLU  26  10.420  -6.439   3.411
  216    HB2  GLU  26           HB2      GLU  26  10.004  -7.117   0.527
  217    HB3  GLU  26           HB1      GLU  26  11.215  -7.986   1.461
  218    HG2  GLU  26           HG2      GLU  26   9.359  -8.429   3.146
  219    HG3  GLU  26           HG1      GLU  26   8.251  -7.880   1.890
  220    H    LEU  27           HN       LEU  27  11.414  -4.795   0.443
  221    HA   LEU  27           HA       LEU  27  14.220  -5.160   0.706
  222    HB2  LEU  27           HB2      LEU  27  12.501  -3.170  -0.720
  223    HB3  LEU  27           HB1      LEU  27  14.249  -3.071  -0.731
  224    HG   LEU  27           HG       LEU  27  12.805  -5.530  -1.681
  225   HD11  LEU  27          HD11      LEU  27  11.969  -3.625  -2.960
  226   HD12  LEU  27          HD12      LEU  27  13.023  -4.635  -3.949
  227   HD13  LEU  27          HD13      LEU  27  13.624  -3.112  -3.292
  228   HD21  LEU  27          HD21      LEU  27  15.192  -5.749  -1.191
  229   HD22  LEU  27          HD22      LEU  27  15.537  -4.379  -2.249
  230   HD23  LEU  27          HD23      LEU  27  14.884  -5.873  -2.923
  231    H    MET  28           HN       MET  28  12.074  -2.777   2.282
  232    HA   MET  28           HA       MET  28  14.025  -0.948   2.773
  233    HB2  MET  28           HB2      MET  28  11.510  -1.643   4.175
  234    HB3  MET  28           HB1      MET  28  12.657  -0.709   5.123
  235    HG2  MET  28           HG2      MET  28  10.858   0.536   3.801
  236    HG3  MET  28           HG1      MET  28  12.512   1.131   3.721
  237    HE1  MET  28           HE1      MET  28  13.733   1.538   2.009
  238    HE2  MET  28           HE2      MET  28  13.445   1.229   0.298
  239    HE3  MET  28           HE3      MET  28  14.152  -0.026   1.311
  240    H    GLU  29           HN       GLU  29  14.106  -4.101   3.901
  241    HA   GLU  29           HA       GLU  29  15.718  -3.461   6.228
  242    HB2  GLU  29           HB2      GLU  29  15.623  -5.758   6.765
  243    HB3  GLU  29           HB1      GLU  29  14.026  -5.350   6.153
  244    HG2  GLU  29           HG2      GLU  29  14.690  -6.268   3.952
  245    HG3  GLU  29           HG1      GLU  29  16.219  -6.773   4.665
  246    H    LEU  30           HN       LEU  30  16.203  -4.065   2.892
  247    HA   LEU  30           HA       LEU  30  18.910  -5.056   3.330
  248    HB2  LEU  30           HB2      LEU  30  18.727  -6.142   1.393
  249    HB3  LEU  30           HB1      LEU  30  17.017  -5.797   1.521
  250    HG   LEU  30           HG       LEU  30  18.961  -4.066   0.010
  251   HD11  LEU  30          HD11      LEU  30  18.873  -6.279  -0.994
  252   HD12  LEU  30          HD12      LEU  30  18.040  -5.104  -2.011
  253   HD13  LEU  30          HD13      LEU  30  17.111  -6.217  -1.007
  254   HD21  LEU  30          HD21      LEU  30  16.847  -3.270  -1.079
  255   HD22  LEU  30          HD22      LEU  30  17.034  -2.813   0.613
  256   HD23  LEU  30          HD23      LEU  30  15.962  -4.142   0.170
  257    H    VAL  31           HN       VAL  31  17.497  -2.100   3.159
  258    HA   VAL  31           HA       VAL  31  19.731  -0.930   1.664
  259    HB   VAL  31           HB       VAL  31  17.656   0.006   0.956
  260   HG11  VAL  31          HG11      VAL  31  16.283  -0.626   2.871
  261   HG12  VAL  31          HG12      VAL  31  16.073   1.079   2.467
  262   HG13  VAL  31          HG13      VAL  31  17.067   0.615   3.849
  263   HG21  VAL  31          HG21      VAL  31  17.934   2.415   2.044
  264   HG22  VAL  31          HG22      VAL  31  19.084   1.770   0.876
  265   HG23  VAL  31          HG23      VAL  31  19.447   1.704   2.599
  266    HA   PRO  32           HA       PRO  32  22.054  -0.420   5.395
  267    HB2  PRO  32           HB2      PRO  32  22.779   2.133   3.988
  268    HB3  PRO  32           HB1      PRO  32  23.826   0.993   4.842
  269    HG2  PRO  32           HG2      PRO  32  23.648   0.983   2.171
  270    HG3  PRO  32           HG1      PRO  32  23.838  -0.517   3.095
  271    HD2  PRO  32           HD2      PRO  32  21.476   0.516   1.653
  272    HD3  PRO  32           HD1      PRO  32  21.886  -1.152   2.099
  273    H    GLN  33           HN       GLN  33  21.341   0.328   7.287
  274    HA   GLN  33           HA       GLN  33  19.136   1.886   7.703
  275    HB2  GLN  33           HB2      GLN  33  20.190   0.484   9.422
  276    HB3  GLN  33           HB1      GLN  33  21.511   1.636   9.552
  277    HG2  GLN  33           HG2      GLN  33  19.954   3.345  10.327
  278    HG3  GLN  33           HG1      GLN  33  18.623   2.197  10.186
  279   HE21  GLN  33          HE21      GLN  33  18.125   2.346  12.366
  280   HE22  GLN  33          HE22      GLN  33  19.115   1.637  13.592
  281    HA   PRO  34           HA       PRO  34  22.124   5.766   8.389
  282    HB2  PRO  34           HB2      PRO  34  24.011   5.110   6.181
  283    HB3  PRO  34           HB1      PRO  34  24.319   5.911   7.726
  284    HG2  PRO  34           HG2      PRO  34  25.066   3.392   7.354
  285    HG3  PRO  34           HG1      PRO  34  24.373   3.908   8.904
  286    HD2  PRO  34           HD2      PRO  34  23.099   2.378   6.671
  287    HD3  PRO  34           HD1      PRO  34  22.931   2.163   8.426
  288    H    LEU  35           HN       LEU  35  21.407   4.197   5.317
  289    HA   LEU  35           HA       LEU  35  21.136   6.657   3.853
  290    HB2  LEU  35           HB2      LEU  35  20.960   3.769   3.293
  291    HB3  LEU  35           HB1      LEU  35  19.892   4.770   2.333
  292    HG   LEU  35           HG       LEU  35  22.733   5.598   2.510
  293   HD11  LEU  35          HD11      LEU  35  22.882   3.173   2.181
  294   HD12  LEU  35          HD12      LEU  35  23.387   4.060   0.743
  295   HD13  LEU  35          HD13      LEU  35  21.796   3.300   0.797
  296   HD21  LEU  35          HD21      LEU  35  20.692   5.529   0.287
  297   HD22  LEU  35          HD22      LEU  35  22.309   6.226   0.177
  298   HD23  LEU  35          HD23      LEU  35  21.117   6.933   1.268
  299    H    VAL  36           HN       VAL  36  19.019   4.426   5.528
  300    HA   VAL  36           HA       VAL  36  16.594   5.554   4.481
  301    HB   VAL  36           HB       VAL  36  17.118   3.744   6.844
  302   HG11  VAL  36          HG11      VAL  36  14.483   4.833   5.858
  303   HG12  VAL  36          HG12      VAL  36  15.213   5.087   7.444
  304   HG13  VAL  36          HG13      VAL  36  14.648   3.482   6.980
  305   HG21  VAL  36          HG21      VAL  36  17.361   2.721   4.643
  306   HG22  VAL  36          HG22      VAL  36  15.749   3.281   4.194
  307   HG23  VAL  36          HG23      VAL  36  15.943   2.085   5.477
  308    H    ASP  37           HN       ASP  37  18.545   6.039   7.374
  309    HA   ASP  37           HA       ASP  37  16.813   7.812   8.691
  310    HB2  ASP  37           HB2      ASP  37  18.769   6.860   9.810
  311    HB3  ASP  37           HB1      ASP  37  19.842   7.711   8.703
  312    H    SER  38           HN       SER  38  19.432   8.393   6.327
  313    HA   SER  38           HA       SER  38  19.242  11.174   6.280
  314    HB2  SER  38           HB2      SER  38  20.028   9.295   4.040
  315    HB3  SER  38           HB1      SER  38  20.346  11.029   4.070
  316    HG   SER  38           HG       SER  38  22.165   9.995   4.818
  317    H    TYR  39           HN       TYR  39  17.531   8.754   4.304
  318    HA   TYR  39           HA       TYR  39  16.165  10.560   2.647
  319    HB2  TYR  39           HB2      TYR  39  16.074   8.360   1.895
  320    HB3  TYR  39           HB1      TYR  39  15.689   7.723   3.491
  321    HD1  TYR  39           HD2      TYR  39  14.300   9.542   0.588
  322    HD2  TYR  39           HD1      TYR  39  13.438   7.467   4.197
  323    HE1  TYR  39           HE2      TYR  39  11.915   9.521   0.000
  324    HE2  TYR  39           HE1      TYR  39  11.054   7.445   3.629
  325    HH   TYR  39           HH       TYR  39   9.480   8.693   2.227
  326    H    ARG  40           HN       ARG  40  15.228   9.046   5.709
  327    HA   ARG  40           HA       ARG  40  12.645  10.063   5.909
  328    HB2  ARG  40           HB2      ARG  40  14.675   9.271   7.981
  329    HB3  ARG  40           HB1      ARG  40  13.086   9.869   8.439
  330    HG2  ARG  40           HG2      ARG  40  12.026   8.058   7.234
  331    HG3  ARG  40           HG1      ARG  40  13.600   7.476   6.689
  332    HD2  ARG  40           HD2      ARG  40  14.247   7.110   9.038
  333    HD3  ARG  40           HD1      ARG  40  12.641   7.631   9.544
  334    HE   ARG  40           HE       ARG  40  12.403   5.529   7.689
  335   HH11  ARG  40          HH11      ARG  40  13.409   6.127  10.972
  336   HH12  ARG  40          HH12      ARG  40  13.014   4.532  11.519
  337   HH21  ARG  40          HH21      ARG  40  11.878   3.428   8.402
  338   HH22  ARG  40          HH22      ARG  40  12.143   2.999  10.059
  339    H    GLN  41           HN       GLN  41  15.735  11.542   6.633
  340    HA   GLN  41           HA       GLN  41  14.713  13.864   7.936
  341    HB2  GLN  41           HB2      GLN  41  17.070  13.092   8.108
  342    HB3  GLN  41           HB1      GLN  41  17.304  13.517   6.417
  343    HG2  GLN  41           HG2      GLN  41  18.179  15.311   7.622
  344    HG3  GLN  41           HG1      GLN  41  16.599  15.858   7.062
  345   HE21  GLN  41          HE21      GLN  41  18.493  14.895   9.807
  346   HE22  GLN  41          HE22      GLN  41  17.395  15.453  11.018
  347    H    GLN  42           HN       GLN  42  15.809  13.251   4.602
  348    HA   GLN  42           HA       GLN  42  15.189  15.807   3.610
  349    HB2  GLN  42           HB2      GLN  42  16.652  14.236   2.424
  350    HB3  GLN  42           HB1      GLN  42  15.285  13.164   2.148
  351    HG2  GLN  42           HG2      GLN  42  14.273  14.666   0.649
  352    HG3  GLN  42           HG1      GLN  42  15.326  15.990   1.141
  353   HE21  GLN  42          HE21      GLN  42  16.430  12.716   0.508
  354   HE22  GLN  42          HE22      GLN  42  17.333  13.097  -0.912
  355    H    GLN  43           HN       GLN  43  13.233  13.033   4.276
  356    HA   GLN  43           HA       GLN  43  10.971  13.985   2.737
  357    HB2  GLN  43           HB2      GLN  43  11.452  11.557   2.981
  358    HB3  GLN  43           HB1      GLN  43  11.138  11.693   4.705
  359    HG2  GLN  43           HG2      GLN  43   9.228  10.774   3.503
  360    HG3  GLN  43           HG1      GLN  43   8.838  12.314   4.267
  361   HE21  GLN  43          HE21      GLN  43   8.449  14.111   2.995
  362   HE22  GLN  43          HE22      GLN  43   8.164  14.001   1.295
  363    H    GLN  44           HN       GLN  44  12.114  13.973   6.034
  364    HA   GLN  44           HA       GLN  44   9.691  14.736   7.286
  365    HB2  GLN  44           HB2      GLN  44  12.043  13.901   8.247
  366    HB3  GLN  44           HB1      GLN  44  12.291  15.631   8.428
  367    HG2  GLN  44           HG2      GLN  44  11.433  14.679  10.472
  368    HG3  GLN  44           HG1      GLN  44  10.249  15.779   9.766
  369   HE21  GLN  44          HE21      GLN  44   8.361  14.939   8.867
  370   HE22  GLN  44          HE22      GLN  44   7.819  13.334   9.209
  371    H    LEU  45           HN       LEU  45  12.063  16.401   5.447
  372    HA   LEU  45           HA       LEU  45  11.803  19.027   6.321
  373    HB2  LEU  45           HB2      LEU  45  13.467  18.820   4.766
  374    HB3  LEU  45           HB1      LEU  45  12.561  17.684   3.788
  375    HG   LEU  45           HG       LEU  45  11.112  19.818   3.225
  376   HD11  LEU  45          HD11      LEU  45  12.246  21.311   4.769
  377   HD12  LEU  45          HD12      LEU  45  12.484  21.836   3.102
  378   HD13  LEU  45          HD13      LEU  45  13.782  21.004   3.958
  379   HD21  LEU  45          HD21      LEU  45  13.808  19.170   2.055
  380   HD22  LEU  45          HD22      LEU  45  12.628  20.239   1.299
  381   HD23  LEU  45          HD23      LEU  45  12.239  18.538   1.554
  382    H    LEU  46           HN       LEU  46   9.955  17.304   3.834
  383    HA   LEU  46           HA       LEU  46   7.746  19.192   4.250
  384    HB2  LEU  46           HB2      LEU  46   8.780  19.905   2.223
  385    HB3  LEU  46           HB1      LEU  46   8.903  18.262   1.631
  386    HG   LEU  46           HG       LEU  46   6.445  18.167   1.416
  387   HD11  LEU  46          HD11      LEU  46   5.862  19.753   3.162
  388   HD12  LEU  46          HD12      LEU  46   5.136  20.212   1.622
  389   HD13  LEU  46          HD13      LEU  46   6.560  21.067   2.216
  390   HD21  LEU  46          HD21      LEU  46   6.265  19.662  -0.503
  391   HD22  LEU  46          HD22      LEU  46   7.820  18.831  -0.492
  392   HD23  LEU  46          HD23      LEU  46   7.718  20.516   0.017
  393    H    GLN  47           HN       GLN  47   6.771  17.616   5.562
  394    HA   GLN  47           HA       GLN  47   6.107  15.035   4.402
  395    HB2  GLN  47           HB2      GLN  47   6.722  15.660   6.910
  396    HB3  GLN  47           HB1      GLN  47   4.993  15.954   7.014
  397    HG2  GLN  47           HG2      GLN  47   6.136  13.377   5.986
  398    HG3  GLN  47           HG1      GLN  47   5.803  13.661   7.693
  399   HE21  GLN  47          HE21      GLN  47   4.433  13.185   4.540
  400   HE22  GLN  47          HE22      GLN  47   2.809  12.913   5.062
  401    H    ARG  48           HN       ARG  48   5.028  16.934   2.853
  402    HA   ARG  48           HA       ARG  48   2.161  16.641   3.382
  403    HB2  ARG  48           HB2      ARG  48   3.478  19.217   2.499
  404    HB3  ARG  48           HB1      ARG  48   1.747  18.951   2.647
  405    HG2  ARG  48           HG2      ARG  48   1.951  18.662   5.027
  406    HG3  ARG  48           HG1      ARG  48   3.707  18.787   4.920
  407    HD2  ARG  48           HD2      ARG  48   2.658  20.882   5.677
  408    HD3  ARG  48           HD1      ARG  48   3.534  21.076   4.159
  409    HE   ARG  48           HE       ARG  48   0.754  20.515   3.772
  410   HH11  ARG  48          HH11      ARG  48   3.065  23.034   4.450
  411   HH12  ARG  48          HH12      ARG  48   2.072  24.296   3.801
  412   HH21  ARG  48          HH21      ARG  48  -0.560  22.169   2.917
  413   HH22  ARG  48          HH22      ARG  48   0.011  23.805   2.931
  414    H    ASP   1           HT1      ASP   1  -5.304 -17.042 -15.191
  415    HA   ASP   1           HA       ASP   1  -7.195 -15.979 -14.149
  416    HB2  ASP   1           HB2      ASP   1  -5.417 -17.533 -12.254
  417    HB3  ASP   1           HB1      ASP   1  -7.141 -17.259 -12.019
  418    H    GLU   2           HN       GLU   2  -7.277 -13.794 -13.857
  419    HA   GLU   2           HA       GLU   2  -5.585 -12.414 -11.994
  420    HB2  GLU   2           HB2      GLU   2  -6.985 -10.458 -12.528
  421    HB3  GLU   2           HB1      GLU   2  -6.404 -11.272 -13.974
  422    HG2  GLU   2           HG2      GLU   2  -8.562 -12.328 -14.280
  423    HG3  GLU   2           HG1      GLU   2  -9.152 -11.596 -12.789
  424    H    ASP   3           HN       ASP   3  -7.483 -14.622 -11.071
  425    HA   ASP   3           HA       ASP   3  -9.379 -13.309  -9.377
  426    HB2  ASP   3           HB2      ASP   3  -8.355 -16.150  -9.210
  427    HB3  ASP   3           HB1      ASP   3  -9.826 -15.519  -8.476
  428    H    THR   4           HN       THR   4  -8.597 -15.270  -7.111
  429    HA   THR   4           HA       THR   4  -7.106 -13.341  -5.639
  430    HB   THR   4           HB       THR   4  -7.241 -16.036  -4.500
  431    HG1  THR   4           HG1      THR   4  -9.659 -15.054  -4.133
  432   HG21  THR   4          HG21      THR   4  -6.550 -14.109  -3.179
  433   HG22  THR   4          HG22      THR   4  -8.056 -14.775  -2.547
  434   HG23  THR   4          HG23      THR   4  -8.083 -13.307  -3.528
  435    H    TYR   5           HN       TYR   5  -5.099 -13.415  -4.856
  436    HA   TYR   5           HA       TYR   5  -3.221 -15.264  -6.170
  437    HB2  TYR   5           HB2      TYR   5  -3.098 -12.302  -5.794
  438    HB3  TYR   5           HB1      TYR   5  -1.651 -13.267  -6.072
  439    HD1  TYR   5           HD1      TYR   5  -1.472 -14.605  -8.188
  440    HD2  TYR   5           HD2      TYR   5  -4.525 -11.708  -7.575
  441    HE1  TYR   5           HE1      TYR   5  -1.860 -14.512 -10.612
  442    HE2  TYR   5           HE2      TYR   5  -4.925 -11.605  -9.998
  443    HH   TYR   5           HH       TYR   5  -3.619 -13.898 -12.168
  444    H    TYR   6           HN       TYR   6  -1.127 -15.471  -4.877
  445    HA   TYR   6           HA       TYR   6  -1.579 -14.787  -2.059
  446    HB2  TYR   6           HB2      TYR   6   0.351 -16.906  -3.024
  447    HB3  TYR   6           HB1      TYR   6  -0.293 -16.691  -1.404
  448    HD1  TYR   6           HD1      TYR   6  -3.189 -16.330  -2.111
  449    HD2  TYR   6           HD2      TYR   6  -0.304 -19.131  -3.487
  450    HE1  TYR   6           HE1      TYR   6  -4.989 -17.925  -2.589
  451    HE2  TYR   6           HE2      TYR   6  -2.096 -20.743  -3.978
  452    HH   TYR   6           HH       TYR   6  -5.370 -19.888  -4.051
  453    H    LEU   7           HN       LEU   7  -0.300 -13.448  -1.081
  454    HA   LEU   7           HA       LEU   7   2.105 -12.462  -2.489
  455    HB2  LEU   7           HB2      LEU   7  -0.198 -11.185  -1.684
  456    HB3  LEU   7           HB1      LEU   7   0.887 -10.872  -0.358
  457    HG   LEU   7           HG       LEU   7   2.109  -9.383  -1.531
  458   HD11  LEU   7          HD11      LEU   7   1.906 -11.285  -3.704
  459   HD12  LEU   7          HD12      LEU   7   3.195 -10.157  -3.300
  460   HD13  LEU   7          HD13      LEU   7   1.807  -9.608  -4.239
  461   HD21  LEU   7          HD21      LEU   7   0.678  -7.983  -2.782
  462   HD22  LEU   7          HD22      LEU   7  -0.310  -8.787  -1.558
  463   HD23  LEU   7          HD23      LEU   7  -0.354  -9.342  -3.232
  464    H    GLN   8           HN       GLN   8   3.853 -13.505  -1.500
  465    HA   GLN   8           HA       GLN   8   3.771 -13.963   1.296
  466    HB2  GLN   8           HB2      GLN   8   5.140 -15.080  -0.776
  467    HB3  GLN   8           HB1      GLN   8   6.395 -14.135   0.014
  468    HG2  GLN   8           HG2      GLN   8   5.508 -15.249   2.173
  469    HG3  GLN   8           HG1      GLN   8   4.813 -16.426   1.061
  470   HE21  GLN   8          HE21      GLN   8   7.157 -15.965  -0.788
  471   HE22  GLN   8          HE22      GLN   8   8.431 -16.895  -0.092
  472    H    VAL   9           HN       VAL   9   4.082 -12.520   2.778
  473    HA   VAL   9           HA       VAL   9   5.923 -10.342   2.171
  474    HB   VAL   9           HB       VAL   9   3.336 -10.263   3.718
  475   HG11  VAL   9          HG11      VAL   9   5.515  -8.196   3.671
  476   HG12  VAL   9          HG12      VAL   9   4.853  -9.043   5.070
  477   HG13  VAL   9          HG13      VAL   9   3.860  -7.878   4.194
  478   HG21  VAL   9          HG21      VAL   9   2.647  -8.631   2.128
  479   HG22  VAL   9          HG22      VAL   9   3.315 -10.000   1.238
  480   HG23  VAL   9          HG23      VAL   9   4.269  -8.531   1.444
  481    H    ARG  10           HN       ARG  10   7.603 -10.053   3.548
  482    HA   ARG  10           HA       ARG  10   7.663 -11.824   5.891
  483    HB2  ARG  10           HB2      ARG  10   9.483 -11.845   4.033
  484    HB3  ARG  10           HB1      ARG  10  10.053 -10.363   4.784
  485    HG2  ARG  10           HG2      ARG  10   9.643 -12.816   6.437
  486    HG3  ARG  10           HG1      ARG  10  11.099 -12.633   5.457
  487    HD2  ARG  10           HD2      ARG  10  11.528 -10.468   6.578
  488    HD3  ARG  10           HD1      ARG  10  10.126 -10.753   7.607
  489    HE   ARG  10           HE       ARG  10  11.764 -12.966   7.876
  490   HH11  ARG  10          HH11      ARG  10  11.955  -9.541   8.494
  491   HH12  ARG  10          HH12      ARG  10  13.063  -9.712   9.813
  492   HH21  ARG  10          HH21      ARG  10  13.221 -13.198   9.612
  493   HH22  ARG  10          HH22      ARG  10  13.781 -11.790  10.451
  494    H    GLY  11           HN       GLY  11   7.945 -11.102   7.908
  495    HA2  GLY  11           HA2      GLY  11   8.434  -9.510   9.585
  496    HA3  GLY  11           HA1      GLY  11   8.489  -8.259   8.350
  497    H    ARG  12           HN       ARG  12   6.841  -9.164  10.958
  498    HA   ARG  12           HA       ARG  12   4.150  -9.173  10.328
  499    HB2  ARG  12           HB2      ARG  12   5.375  -9.449  12.612
  500    HB3  ARG  12           HB1      ARG  12   5.132  -7.713  12.753
  501    HG2  ARG  12           HG2      ARG  12   3.330  -8.716  13.874
  502    HG3  ARG  12           HG1      ARG  12   2.683  -8.151  12.332
  503    HD2  ARG  12           HD2      ARG  12   2.942 -10.426  11.425
  504    HD3  ARG  12           HD1      ARG  12   3.517 -10.970  13.000
  505    HE   ARG  12           HE       ARG  12   0.835  -9.800  12.690
  506   HH11  ARG  12          HH11      ARG  12   2.924 -12.416  13.660
  507   HH12  ARG  12          HH12      ARG  12   1.655 -13.320  14.416
  508   HH21  ARG  12          HH21      ARG  12  -0.840 -10.982  13.686
  509   HH22  ARG  12          HH22      ARG  12  -0.483 -12.505  14.430
  510    H    GLU  13           HN       GLU  13   6.119  -6.252  11.003
  511    HA   GLU  13           HA       GLU  13   4.082  -4.412  10.848
  512    HB2  GLU  13           HB2      GLU  13   6.362  -3.853  11.542
  513    HB3  GLU  13           HB1      GLU  13   6.930  -4.076   9.893
  514    HG2  GLU  13           HG2      GLU  13   5.642  -2.191   9.141
  515    HG3  GLU  13           HG1      GLU  13   4.908  -2.013  10.734
  516    H    ASN  14           HN       ASN  14   6.027  -5.687   8.157
  517    HA   ASN  14           HA       ASN  14   4.812  -4.109   6.130
  518    HB2  ASN  14           HB2      ASN  14   6.149  -6.804   5.829
  519    HB3  ASN  14           HB1      ASN  14   5.909  -5.592   4.573
  520   HD21  ASN  14          HD21      ASN  14   8.382  -6.765   5.382
  521   HD22  ASN  14          HD22      ASN  14   9.388  -5.489   5.968
  522    H    PHE  15           HN       PHE  15   4.238  -7.404   7.303
  523    HA   PHE  15           HA       PHE  15   2.278  -8.171   5.491
  524    HB2  PHE  15           HB2      PHE  15   3.395  -9.671   7.119
  525    HB3  PHE  15           HB1      PHE  15   2.457  -8.930   8.412
  526    HD1  PHE  15           HD2      PHE  15   1.374  -9.954   4.990
  527    HD2  PHE  15           HD1      PHE  15   1.087 -10.620   9.194
  528    HE1  PHE  15           HE2      PHE  15  -0.419 -11.568   4.607
  529    HE2  PHE  15           HE1      PHE  15  -0.735 -12.235   8.802
  530    HZ   PHE  15           HZ       PHE  15  -1.484 -12.706   6.499
  531    H    GLU  16           HN       GLU  16   1.914  -6.499   8.604
  532    HA   GLU  16           HA       GLU  16  -0.917  -6.348   8.611
  533    HB2  GLU  16           HB2      GLU  16   1.160  -4.581   9.913
  534    HB3  GLU  16           HB1      GLU  16  -0.565  -4.503  10.244
  535    HG2  GLU  16           HG2      GLU  16  -0.534  -6.770  11.096
  536    HG3  GLU  16           HG1      GLU  16   1.179  -6.913  10.702
  537    H    ILE  17           HN       ILE  17   1.504  -4.001   7.388
  538    HA   ILE  17           HA       ILE  17  -0.427  -2.050   6.729
  539    HB   ILE  17           HB       ILE  17   2.409  -2.492   6.094
  540   HG12  ILE  17          HG12      ILE  17   0.987   0.120   6.497
  541   HG13  ILE  17          HG11      ILE  17   1.254  -0.964   7.856
  542   HG21  ILE  17          HG21      ILE  17   2.469  -0.816   4.306
  543   HG22  ILE  17          HG22      ILE  17   0.704  -0.762   4.304
  544   HG23  ILE  17          HG23      ILE  17   1.542  -2.240   3.824
  545   HD11  ILE  17          HD11      ILE  17   3.625  -0.808   7.585
  546   HD12  ILE  17          HD12      ILE  17   2.951   0.825   7.610
  547   HD13  ILE  17          HD13      ILE  17   3.440   0.094   6.080
  548    H    LEU  18           HN       LEU  18   0.931  -4.763   4.844
  549    HA   LEU  18           HA       LEU  18  -0.448  -4.033   2.439
  550    HB2  LEU  18           HB2      LEU  18   1.140  -6.392   3.378
  551    HB3  LEU  18           HB1      LEU  18   0.210  -6.477   1.895
  552    HG   LEU  18           HG       LEU  18   1.876  -4.104   1.964
  553   HD11  LEU  18          HD11      LEU  18   3.391  -5.374   3.303
  554   HD12  LEU  18          HD12      LEU  18   4.011  -5.360   1.653
  555   HD13  LEU  18          HD13      LEU  18   3.193  -6.790   2.277
  556   HD21  LEU  18          HD21      LEU  18   1.588  -6.480   0.135
  557   HD22  LEU  18          HD22      LEU  18   2.623  -5.093  -0.206
  558   HD23  LEU  18          HD23      LEU  18   0.879  -4.877  -0.063
  559    H    MET  19           HN       MET  19  -0.941  -6.337   5.084
  560    HA   MET  19           HA       MET  19  -3.121  -7.697   3.979
  561    HB2  MET  19           HB2      MET  19  -1.726  -8.106   6.218
  562    HB3  MET  19           HB1      MET  19  -3.040  -7.199   6.941
  563    HG2  MET  19           HG2      MET  19  -3.172  -9.838   5.524
  564    HG3  MET  19           HG1      MET  19  -3.516  -9.486   7.211
  565    HE1  MET  19           HE1      MET  19  -5.773 -11.085   6.566
  566    HE2  MET  19           HE2      MET  19  -5.159 -11.082   4.911
  567    HE3  MET  19           HE3      MET  19  -6.836 -10.629   5.234
  568    H    LYS  20           HN       LYS  20  -3.076  -4.902   6.142
  569    HA   LYS  20           HA       LYS  20  -5.821  -4.404   6.251
  570    HB2  LYS  20           HB2      LYS  20  -3.730  -3.267   7.402
  571    HB3  LYS  20           HB1      LYS  20  -3.892  -2.140   6.063
  572    HG2  LYS  20           HG2      LYS  20  -6.231  -2.833   7.798
  573    HG3  LYS  20           HG1      LYS  20  -5.070  -1.591   8.268
  574    HD2  LYS  20           HD2      LYS  20  -5.492  -0.479   6.069
  575    HD3  LYS  20           HD1      LYS  20  -6.782  -1.650   5.788
  576    HE2  LYS  20           HE2      LYS  20  -6.656   0.169   8.184
  577    HE3  LYS  20           HE1      LYS  20  -7.536   0.554   6.706
  578    HZ1  LYS  20           HZ1      LYS  20  -9.013  -0.394   8.340
  579    HZ2  LYS  20           HZ2      LYS  20  -8.037  -1.767   8.491
  580    HZ3  LYS  20           HZ3      LYS  20  -8.855  -1.467   7.041
  581    H    LEU  21           HN       LEU  21  -3.380  -3.588   3.857
  582    HA   LEU  21           HA       LEU  21  -5.109  -1.984   2.281
  583    HB2  LEU  21           HB2      LEU  21  -2.850  -1.511   1.969
  584    HB3  LEU  21           HB1      LEU  21  -2.407  -3.202   1.863
  585    HG   LEU  21           HG       LEU  21  -3.244  -3.359  -0.382
  586   HD11  LEU  21          HD11      LEU  21  -4.691  -0.947   0.353
  587   HD12  LEU  21          HD12      LEU  21  -5.047  -2.152  -0.882
  588   HD13  LEU  21          HD13      LEU  21  -3.920  -0.841  -1.229
  589   HD21  LEU  21          HD21      LEU  21  -1.829  -1.697  -1.517
  590   HD22  LEU  21          HD22      LEU  21  -1.006  -2.474  -0.165
  591   HD23  LEU  21          HD23      LEU  21  -1.644  -0.840   0.012
  592    H    LYS  22           HN       LYS  22  -4.230  -5.414   2.125
  593    HA   LYS  22           HA       LYS  22  -5.374  -6.032  -0.334
  594    HB2  LYS  22           HB2      LYS  22  -4.053  -7.691   0.794
  595    HB3  LYS  22           HB1      LYS  22  -5.106  -7.656   2.203
  596    HG2  LYS  22           HG2      LYS  22  -6.678  -8.314  -0.072
  597    HG3  LYS  22           HG1      LYS  22  -5.245  -9.341  -0.059
  598    HD2  LYS  22           HD2      LYS  22  -6.918  -8.938   2.400
  599    HD3  LYS  22           HD1      LYS  22  -7.315 -10.168   1.199
  600    HE2  LYS  22           HE2      LYS  22  -4.807 -10.840   1.490
  601    HE3  LYS  22           HE1      LYS  22  -4.959  -9.983   3.023
  602    HZ1  LYS  22           HZ1      LYS  22  -6.597 -12.288   2.121
  603    HZ2  LYS  22           HZ2      LYS  22  -6.862 -11.425   3.550
  604    HZ3  LYS  22           HZ3      LYS  22  -5.429 -12.298   3.345
  605    H    GLU  23           HN       GLU  23  -6.721  -5.707   2.867
  606    HA   GLU  23           HA       GLU  23  -9.367  -6.517   2.241
  607    HB2  GLU  23           HB2      GLU  23  -8.839  -6.562   4.527
  608    HB3  GLU  23           HB1      GLU  23  -8.060  -4.989   4.475
  609    HG2  GLU  23           HG2      GLU  23 -10.143  -3.868   4.390
  610    HG3  GLU  23           HG1      GLU  23 -11.017  -5.378   4.130
  611    H    SER  24           HN       SER  24  -7.837  -3.291   2.392
  612    HA   SER  24           HA       SER  24 -10.162  -1.922   1.707
  613    HB2  SER  24           HB2      SER  24  -7.411  -0.991   0.917
  614    HB3  SER  24           HB1      SER  24  -8.818  -0.005   1.304
  615    HG   SER  24           HG       SER  24  -8.650  -1.036   3.459
  616    H    LEU  25           HN       LEU  25  -7.550  -3.096  -0.428
  617    HA   LEU  25           HA       LEU  25  -8.618  -2.092  -2.858
  618    HB2  LEU  25           HB2      LEU  25  -6.574  -4.113  -2.094
  619    HB3  LEU  25           HB1      LEU  25  -7.187  -4.135  -3.736
  620    HG   LEU  25           HG       LEU  25  -5.984  -1.684  -2.453
  621   HD11  LEU  25          HD11      LEU  25  -4.000  -2.212  -3.865
  622   HD12  LEU  25          HD12      LEU  25  -4.703  -3.801  -4.168
  623   HD13  LEU  25          HD13      LEU  25  -4.258  -3.332  -2.527
  624   HD21  LEU  25          HD21      LEU  25  -7.515  -1.329  -4.370
  625   HD22  LEU  25          HD22      LEU  25  -6.466  -2.360  -5.349
  626   HD23  LEU  25          HD23      LEU  25  -5.851  -0.841  -4.699
  627    H    GLU  26           HN       GLU  26  -8.938  -5.273  -1.309
  628    HA   GLU  26           HA       GLU  26 -10.415  -6.444  -3.415
  629    HB2  GLU  26           HB2      GLU  26 -10.001  -7.123  -0.531
  630    HB3  GLU  26           HB1      GLU  26 -11.211  -7.992  -1.467
  631    HG2  GLU  26           HG2      GLU  26  -9.354  -8.432  -3.151
  632    HG3  GLU  26           HG1      GLU  26  -8.245  -7.884  -1.894
  633    H    LEU  27           HN       LEU  27 -11.412  -4.801  -0.448
  634    HA   LEU  27           HA       LEU  27 -14.216  -5.168  -0.710
  635    HB2  LEU  27           HB2      LEU  27 -12.498  -3.178   0.717
  636    HB3  LEU  27           HB1      LEU  27 -14.246  -3.079   0.729
  637    HG   LEU  27           HG       LEU  27 -12.801  -5.538   1.677
  638   HD11  LEU  27          HD11      LEU  27 -11.966  -3.633   2.957
  639   HD12  LEU  27          HD12      LEU  27 -13.019  -4.645   3.945
  640   HD13  LEU  27          HD13      LEU  27 -13.621  -3.122   3.289
  641   HD21  LEU  27          HD21      LEU  27 -15.188  -5.759   1.188
  642   HD22  LEU  27          HD22      LEU  27 -15.534  -4.389   2.246
  643   HD23  LEU  27          HD23      LEU  27 -14.880  -5.883   2.920
  644    H    MET  28           HN       MET  28 -12.071  -2.784  -2.286
  645    HA   MET  28           HA       MET  28 -14.024  -0.955  -2.777
  646    HB2  MET  28           HB2      MET  28 -11.506  -1.646  -4.179
  647    HB3  MET  28           HB1      MET  28 -12.655  -0.714  -5.127
  648    HG2  MET  28           HG2      MET  28 -10.858   0.534  -3.804
  649    HG3  MET  28           HG1      MET  28 -12.514   1.127  -3.723
  650    HE1  MET  28           HE1      MET  28 -13.732   1.533  -2.011
  651    HE2  MET  28           HE2      MET  28 -13.444   1.220  -0.299
  652    HE3  MET  28           HE3      MET  28 -14.151  -0.033  -1.315
  653    H    GLU  29           HN       GLU  29 -14.104  -4.108  -3.905
  654    HA   GLU  29           HA       GLU  29 -15.715  -3.467  -6.233
  655    HB2  GLU  29           HB2      GLU  29 -15.619  -5.764  -6.771
  656    HB3  GLU  29           HB1      GLU  29 -14.022  -5.356  -6.159
  657    HG2  GLU  29           HG2      GLU  29 -14.686  -6.274  -3.958
  658    HG3  GLU  29           HG1      GLU  29 -16.214  -6.780  -4.671
  659    H    LEU  30           HN       LEU  30 -16.201  -4.071  -2.896
  660    HA   LEU  30           HA       LEU  30 -18.907  -5.064  -3.334
  661    HB2  LEU  30           HB2      LEU  30 -18.722  -6.151  -1.399
  662    HB3  LEU  30           HB1      LEU  30 -17.012  -5.805  -1.527
  663    HG   LEU  30           HG       LEU  30 -18.958  -4.075  -0.014
  664   HD11  LEU  30          HD11      LEU  30 -18.868  -6.288   0.989
  665   HD12  LEU  30          HD12      LEU  30 -18.035  -5.114   2.007
  666   HD13  LEU  30          HD13      LEU  30 -17.106  -6.225   1.002
  667   HD21  LEU  30          HD21      LEU  30 -16.845  -3.278   1.074
  668   HD22  LEU  30          HD22      LEU  30 -17.033  -2.820  -0.617
  669   HD23  LEU  30          HD23      LEU  30 -15.960  -4.147  -0.176
  670    H    VAL  31           HN       VAL  31 -17.496  -2.108  -3.165
  671    HA   VAL  31           HA       VAL  31 -19.729  -0.939  -1.669
  672    HB   VAL  31           HB       VAL  31 -17.655  -0.002  -0.959
  673   HG11  VAL  31          HG11      VAL  31 -16.281  -0.633  -2.874
  674   HG12  VAL  31          HG12      VAL  31 -16.071   1.071  -2.469
  675   HG13  VAL  31          HG13      VAL  31 -17.065   0.608  -3.852
  676   HG21  VAL  31          HG21      VAL  31 -17.934   2.407  -2.047
  677   HG22  VAL  31          HG22      VAL  31 -19.083   1.761  -0.878
  678   HG23  VAL  31          HG23      VAL  31 -19.447   1.695  -2.602
  679    HA   PRO  32           HA       PRO  32 -22.053  -0.428  -5.399
  680    HB2  PRO  32           HB2      PRO  32 -22.777   2.124  -3.992
  681    HB3  PRO  32           HB1      PRO  32 -23.825   0.985  -4.846
  682    HG2  PRO  32           HG2      PRO  32 -23.648   0.973  -2.175
  683    HG3  PRO  32           HG1      PRO  32 -23.836  -0.527  -3.100
  684    HD2  PRO  32           HD2      PRO  32 -21.474   0.509  -1.657
  685    HD3  PRO  32           HD1      PRO  32 -21.884  -1.160  -2.102
  686    H    GLN  33           HN       GLN  33 -21.339   0.320  -7.292
  687    HA   GLN  33           HA       GLN  33 -19.134   1.878  -7.707
  688    HB2  GLN  33           HB2      GLN  33 -20.188   0.477  -9.426
  689    HB3  GLN  33           HB1      GLN  33 -21.509   1.628  -9.555
  690    HG2  GLN  33           HG2      GLN  33 -19.954   3.338 -10.329
  691    HG3  GLN  33           HG1      GLN  33 -18.622   2.192 -10.189
  692   HE21  GLN  33          HE21      GLN  33 -18.122   2.340 -12.368
  693   HE22  GLN  33          HE22      GLN  33 -19.112   1.633 -13.595
  694    HA   PRO  34           HA       PRO  34 -22.124   5.756  -8.393
  695    HB2  PRO  34           HB2      PRO  34 -24.010   5.099  -6.185
  696    HB3  PRO  34           HB1      PRO  34 -24.318   5.902  -7.729
  697    HG2  PRO  34           HG2      PRO  34 -25.066   3.382  -7.359
  698    HG3  PRO  34           HG1      PRO  34 -24.371   3.898  -8.908
  699    HD2  PRO  34           HD2      PRO  34 -23.099   2.369  -6.673
  700    HD3  PRO  34           HD1      PRO  34 -22.930   2.153  -8.428
  701    H    LEU  35           HN       LEU  35 -21.407   4.188  -5.320
  702    HA   LEU  35           HA       LEU  35 -21.136   6.648  -3.854
  703    HB2  LEU  35           HB2      LEU  35 -20.960   3.760  -3.296
  704    HB3  LEU  35           HB1      LEU  35 -19.893   4.759  -2.336
  705    HG   LEU  35           HG       LEU  35 -22.734   5.588  -2.513
  706   HD11  LEU  35          HD11      LEU  35 -22.881   3.163  -2.184
  707   HD12  LEU  35          HD12      LEU  35 -23.387   4.049  -0.747
  708   HD13  LEU  35          HD13      LEU  35 -21.796   3.290  -0.800
  709   HD21  LEU  35          HD21      LEU  35 -20.692   5.519  -0.290
  710   HD22  LEU  35          HD22      LEU  35 -22.310   6.216  -0.180
  711   HD23  LEU  35          HD23      LEU  35 -21.119   6.923  -1.271
  712    H    VAL  36           HN       VAL  36 -19.019   4.418  -5.531
  713    HA   VAL  36           HA       VAL  36 -16.594   5.547  -4.483
  714    HB   VAL  36           HB       VAL  36 -17.117   3.737  -6.848
  715   HG11  VAL  36          HG11      VAL  36 -14.483   4.827  -5.860
  716   HG12  VAL  36          HG12      VAL  36 -15.212   5.081  -7.446
  717   HG13  VAL  36          HG13      VAL  36 -14.647   3.476  -6.982
  718   HG21  VAL  36          HG21      VAL  36 -17.360   2.715  -4.646
  719   HG22  VAL  36          HG22      VAL  36 -15.748   3.275  -4.198
  720   HG23  VAL  36          HG23      VAL  36 -15.942   2.078  -5.480
  721    H    ASP  37           HN       ASP  37 -18.545   6.032  -7.377
  722    HA   ASP  37           HA       ASP  37 -16.814   7.807  -8.692
  723    HB2  ASP  37           HB2      ASP  37 -18.769   6.853  -9.812
  724    HB3  ASP  37           HB1      ASP  37 -19.843   7.703  -8.704
  725    H    SER  38           HN       SER  38 -19.434   8.385  -6.328
  726    HA   SER  38           HA       SER  38 -19.245  11.167  -6.281
  727    HB2  SER  38           HB2      SER  38 -20.030   9.287  -4.041
  728    HB3  SER  38           HB1      SER  38 -20.349  11.021  -4.072
  729    HG   SER  38           HG       SER  38 -22.167   9.988  -4.820
  730    H    TYR  39           HN       TYR  39 -17.532   8.747  -4.307
  731    HA   TYR  39           HA       TYR  39 -16.168  10.553  -2.649
  732    HB2  TYR  39           HB2      TYR  39 -16.077   8.354  -1.896
  733    HB3  TYR  39           HB1      TYR  39 -15.691   7.716  -3.492
  734    HD1  TYR  39           HD2      TYR  39 -14.303   9.535  -0.588
  735    HD2  TYR  39           HD1      TYR  39 -13.440   7.461  -4.198
  736    HE1  TYR  39           HE2      TYR  39 -11.919   9.515   0.000
  737    HE2  TYR  39           HE1      TYR  39 -11.057   7.440  -3.630
  738    HH   TYR  39           HH       TYR  39  -9.482   8.688  -2.228
  739    H    ARG  40           HN       ARG  40 -15.229   9.040  -5.710
  740    HA   ARG  40           HA       ARG  40 -12.647  10.059  -5.909
  741    HB2  ARG  40           HB2      ARG  40 -14.675   9.267  -7.983
  742    HB3  ARG  40           HB1      ARG  40 -13.085   9.865  -8.439
  743    HG2  ARG  40           HG2      ARG  40 -12.027   8.053  -7.235
  744    HG3  ARG  40           HG1      ARG  40 -13.602   7.472  -6.691
  745    HD2  ARG  40           HD2      ARG  40 -14.248   7.106  -9.040
  746    HD3  ARG  40           HD1      ARG  40 -12.642   7.629  -9.545
  747    HE   ARG  40           HE       ARG  40 -12.400   5.526  -7.692
  748   HH11  ARG  40          HH11      ARG  40 -13.411   6.122 -10.975
  749   HH12  ARG  40          HH12      ARG  40 -13.014   4.528 -11.522
  750   HH21  ARG  40          HH21      ARG  40 -11.876   3.425  -8.405
  751   HH22  ARG  40          HH22      ARG  40 -12.143   2.994 -10.062
  752    H    GLN  41           HN       GLN  41 -15.738  11.536  -6.634
  753    HA   GLN  41           HA       GLN  41 -14.718  13.859  -7.935
  754    HB2  GLN  41           HB2      GLN  41 -17.074  13.085  -8.108
  755    HB3  GLN  41           HB1      GLN  41 -17.309  13.510  -6.417
  756    HG2  GLN  41           HG2      GLN  41 -18.185  15.302  -7.624
  757    HG3  GLN  41           HG1      GLN  41 -16.606  15.851  -7.062
  758   HE21  GLN  41          HE21      GLN  41 -18.498  14.889  -9.806
  759   HE22  GLN  41          HE22      GLN  41 -17.401  15.447 -11.018
  760    H    GLN  42           HN       GLN  42 -15.814  13.245  -4.601
  761    HA   GLN  42           HA       GLN  42 -15.195  15.801  -3.609
  762    HB2  GLN  42           HB2      GLN  42 -16.656  14.228  -2.423
  763    HB3  GLN  42           HB1      GLN  42 -15.288  13.157  -2.148
  764    HG2  GLN  42           HG2      GLN  42 -14.277  14.660  -0.649
  765    HG3  GLN  42           HG1      GLN  42 -15.332  15.982  -1.141
  766   HE21  GLN  42          HE21      GLN  42 -16.434  12.708  -0.508
  767   HE22  GLN  42          HE22      GLN  42 -17.337  13.090   0.912
  768    H    GLN  43           HN       GLN  43 -13.237  13.029  -4.279
  769    HA   GLN  43           HA       GLN  43 -10.976  13.980  -2.738
  770    HB2  GLN  43           HB2      GLN  43 -11.455  11.551  -2.984
  771    HB3  GLN  43           HB1      GLN  43 -11.141  11.690  -4.708
  772    HG2  GLN  43           HG2      GLN  43  -9.231  10.770  -3.504
  773    HG3  GLN  43           HG1      GLN  43  -8.841  12.310  -4.268
  774   HE21  GLN  43          HE21      GLN  43  -8.452  14.107  -2.994
  775   HE22  GLN  43          HE22      GLN  43  -8.169  13.996  -1.293
  776    H    GLN  44           HN       GLN  44 -12.118  13.968  -6.034
  777    HA   GLN  44           HA       GLN  44  -9.695  14.733  -7.286
  778    HB2  GLN  44           HB2      GLN  44 -12.047  13.896  -8.246
  779    HB3  GLN  44           HB1      GLN  44 -12.297  15.626  -8.428
  780    HG2  GLN  44           HG2      GLN  44 -11.438  14.675 -10.472
  781    HG3  GLN  44           HG1      GLN  44 -10.255  15.775  -9.766
  782   HE21  GLN  44          HE21      GLN  44  -8.366  14.938  -8.868
  783   HE22  GLN  44          HE22      GLN  44  -7.823  13.333  -9.208
  784    H    LEU  45           HN       LEU  45 -12.070  16.397  -5.448
  785    HA   LEU  45           HA       LEU  45 -11.810  19.023  -6.320
  786    HB2  LEU  45           HB2      LEU  45 -13.473  18.815  -4.764
  787    HB3  LEU  45           HB1      LEU  45 -12.566  17.679  -3.787
  788    HG   LEU  45           HG       LEU  45 -11.118  19.814  -3.222
  789   HD11  LEU  45          HD11      LEU  45 -12.255  21.306  -4.767
  790   HD12  LEU  45          HD12      LEU  45 -12.491  21.831  -3.100
  791   HD13  LEU  45          HD13      LEU  45 -13.790  20.998  -3.955
  792   HD21  LEU  45          HD21      LEU  45 -13.815  19.164  -2.054
  793   HD22  LEU  45          HD22      LEU  45 -12.635  20.234  -1.297
  794   HD23  LEU  45          HD23      LEU  45 -12.246  18.532  -1.552
  795    H    LEU  46           HN       LEU  46  -9.962  17.300  -3.833
  796    HA   LEU  46           HA       LEU  46  -7.752  19.187  -4.248
  797    HB2  LEU  46           HB2      LEU  46  -8.788  19.899  -2.220
  798    HB3  LEU  46           HB1      LEU  46  -8.908  18.255  -1.630
  799    HG   LEU  46           HG       LEU  46  -6.450  18.164  -1.414
  800   HD11  LEU  46          HD11      LEU  46  -5.869  19.750  -3.160
  801   HD12  LEU  46          HD12      LEU  46  -5.143  20.210  -1.620
  802   HD13  LEU  46          HD13      LEU  46  -6.567  21.063  -2.213
  803   HD21  LEU  46          HD21      LEU  46  -6.273  19.659   0.506
  804   HD22  LEU  46          HD22      LEU  46  -7.827  18.826   0.494
  805   HD23  LEU  46          HD23      LEU  46  -7.726  20.511  -0.015
  806    H    GLN  47           HN       GLN  47  -6.778  17.613  -5.561
  807    HA   GLN  47           HA       GLN  47  -6.113  15.031  -4.402
  808    HB2  GLN  47           HB2      GLN  47  -6.726  15.658  -6.911
  809    HB3  GLN  47           HB1      GLN  47  -4.995  15.951  -7.012
  810    HG2  GLN  47           HG2      GLN  47  -6.141  13.375  -5.985
  811    HG3  GLN  47           HG1      GLN  47  -5.807  13.659  -7.693
  812   HE21  GLN  47          HE21      GLN  47  -4.438  13.183  -4.539
  813   HE22  GLN  47          HE22      GLN  47  -2.813  12.911  -5.061
  814    H    ARG  48           HN       ARG  48  -5.035  16.932  -2.852
  815    HA   ARG  48           HA       ARG  48  -2.168  16.640  -3.379
  816    HB2  ARG  48           HB2      ARG  48  -3.484  19.215  -2.496
  817    HB3  ARG  48           HB1      ARG  48  -1.753  18.949  -2.645
  818    HG2  ARG  48           HG2      ARG  48  -1.957  18.662  -5.025
  819    HG3  ARG  48           HG1      ARG  48  -3.714  18.787  -4.917
  820    HD2  ARG  48           HD2      ARG  48  -2.664  20.882  -5.674
  821    HD3  ARG  48           HD1      ARG  48  -3.541  21.075  -4.156
  822    HE   ARG  48           HE       ARG  48  -0.761  20.514  -3.768
  823   HH11  ARG  48          HH11      ARG  48  -3.072  23.033  -4.446
  824   HH12  ARG  48          HH12      ARG  48  -2.079  24.296  -3.799
  825   HH21  ARG  48          HH21      ARG  48   0.553  22.170  -2.914
  826   HH22  ARG  48          HH22      ARG  48  -0.019  23.805  -2.928
  827    H    ASP   1           HT1      ASP   1   5.299  17.041 -15.190
  828    HA   ASP   1           HA       ASP   1   7.191  15.977 -14.148
  829    HB2  ASP   1           HB2      ASP   1   5.414  17.530 -12.253
  830    HB3  ASP   1           HB1      ASP   1   7.138  17.258 -12.020
  831    H    GLU   2           HN       GLU   2   7.274  13.793 -13.854
  832    HA   GLU   2           HA       GLU   2   5.583  12.413 -11.991
  833    HB2  GLU   2           HB2      GLU   2   6.983  10.457 -12.526
  834    HB3  GLU   2           HB1      GLU   2   6.401  11.271 -13.972
  835    HG2  GLU   2           HG2      GLU   2   8.558  12.327 -14.279
  836    HG3  GLU   2           HG1      GLU   2   9.149  11.595 -12.788
  837    H    ASP   3           HN       ASP   3   7.482  14.620 -11.072
  838    HA   ASP   3           HA       ASP   3   9.377  13.310  -9.375
  839    HB2  ASP   3           HB2      ASP   3   8.351  16.150  -9.211
  840    HB3  ASP   3           HB1      ASP   3   9.822  15.521  -8.476
  841    H    THR   4           HN       THR   4   8.593  15.273  -7.111
  842    HA   THR   4           HA       THR   4   7.102  13.343  -5.638
  843    HB   THR   4           HB       THR   4   7.237  16.037  -4.498
  844    HG1  THR   4           HG1      THR   4   9.657  15.056  -4.132
  845   HG21  THR   4          HG21      THR   4   6.547  14.108  -3.177
  846   HG22  THR   4          HG22      THR   4   8.053  14.775  -2.544
  847   HG23  THR   4          HG23      THR   4   8.080  13.307  -3.527
  848    H    TYR   5           HN       TYR   5   5.096  13.417  -4.855
  849    HA   TYR   5           HA       TYR   5   3.216  15.265  -6.169
  850    HB2  TYR   5           HB2      TYR   5   3.094  12.303  -5.792
  851    HB3  TYR   5           HB1      TYR   5   1.648  13.269  -6.071
  852    HD1  TYR   5           HD1      TYR   5   1.469  14.604  -8.186
  853    HD2  TYR   5           HD2      TYR   5   4.523  11.710  -7.572
  854    HE1  TYR   5           HE1      TYR   5   1.854  14.509 -10.610
  855    HE2  TYR   5           HE2      TYR   5   4.923  11.607  -9.995
  856    HH   TYR   5           HH       TYR   5   3.618  13.895 -12.166
  857    H    TYR   6           HN       TYR   6   1.123  15.470  -4.875
  858    HA   TYR   6           HA       TYR   6   1.576  14.786  -2.057
  859    HB2  TYR   6           HB2      TYR   6  -0.355  16.905  -3.021
  860    HB3  TYR   6           HB1      TYR   6   0.291  16.689  -1.401
  861    HD1  TYR   6           HD1      TYR   6   3.187  16.328  -2.109
  862    HD2  TYR   6           HD2      TYR   6   0.300  19.129  -3.486
  863    HE1  TYR   6           HE1      TYR   6   4.986  17.924  -2.588
  864    HE2  TYR   6           HE2      TYR   6   2.092  20.740  -3.978
  865    HH   TYR   6           HH       TYR   6   5.366  19.887  -4.051
  866    H    LEU   7           HN       LEU   7   0.298  13.447  -1.078
  867    HA   LEU   7           HA       LEU   7  -2.108  12.462  -2.486
  868    HB2  LEU   7           HB2      LEU   7   0.195  11.182  -1.682
  869    HB3  LEU   7           HB1      LEU   7  -0.890  10.869  -0.356
  870    HG   LEU   7           HG       LEU   7  -2.111   9.381  -1.530
  871   HD11  LEU   7          HD11      LEU   7  -1.909  11.284  -3.702
  872   HD12  LEU   7          HD12      LEU   7  -3.198  10.155  -3.298
  873   HD13  LEU   7          HD13      LEU   7  -1.809   9.607  -4.238
  874   HD21  LEU   7          HD21      LEU   7  -0.679   7.982  -2.779
  875   HD22  LEU   7          HD22      LEU   7   0.308   8.788  -1.555
  876   HD23  LEU   7          HD23      LEU   7   0.352   9.341  -3.230
  877    H    GLN   8           HN       GLN   8  -3.856  13.503  -1.498
  878    HA   GLN   8           HA       GLN   8  -3.775  13.962   1.299
  879    HB2  GLN   8           HB2      GLN   8  -5.142  15.079  -0.774
  880    HB3  GLN   8           HB1      GLN   8  -6.398  14.134   0.016
  881    HG2  GLN   8           HG2      GLN   8  -5.511  15.247   2.175
  882    HG3  GLN   8           HG1      GLN   8  -4.816  16.424   1.063
  883   HE21  GLN   8          HE21      GLN   8  -7.159  15.963  -0.787
  884   HE22  GLN   8          HE22      GLN   8  -8.434  16.893  -0.092
  885    H    VAL   9           HN       VAL   9  -4.084  12.517   2.779
  886    HA   VAL   9           HA       VAL   9  -5.925  10.340   2.172
  887    HB   VAL   9           HB       VAL   9  -3.339  10.262   3.720
  888   HG11  VAL   9          HG11      VAL   9  -5.517   8.193   3.674
  889   HG12  VAL   9          HG12      VAL   9  -4.854   9.042   5.073
  890   HG13  VAL   9          HG13      VAL   9  -3.863   7.877   4.196
  891   HG21  VAL   9          HG21      VAL   9  -2.649   8.629   2.131
  892   HG22  VAL   9          HG22      VAL   9  -3.316   9.997   1.240
  893   HG23  VAL   9          HG23      VAL   9  -4.270   8.528   1.446
  894    H    ARG  10           HN       ARG  10  -7.606  10.051   3.550
  895    HA   ARG  10           HA       ARG  10  -7.665  11.822   5.893
  896    HB2  ARG  10           HB2      ARG  10  -9.486  11.843   4.035
  897    HB3  ARG  10           HB1      ARG  10 -10.055  10.360   4.787
  898    HG2  ARG  10           HG2      ARG  10  -9.647  12.815   6.438
  899    HG3  ARG  10           HG1      ARG  10 -11.103  12.628   5.458
  900    HD2  ARG  10           HD2      ARG  10 -11.531  10.465   6.581
  901    HD3  ARG  10           HD1      ARG  10 -10.128  10.750   7.608
  902    HE   ARG  10           HE       ARG  10 -11.766  12.964   7.879
  903   HH11  ARG  10          HH11      ARG  10 -11.955   9.540   8.495
  904   HH12  ARG  10          HH12      ARG  10 -13.063   9.708   9.815
  905   HH21  ARG  10          HH21      ARG  10 -13.223  13.196   9.616
  906   HH22  ARG  10          HH22      ARG  10 -13.782  11.786  10.454
  907    H    GLY  11           HN       GLY  11  -7.949  11.101   7.911
  908    HA2  GLY  11           HA2      GLY  11  -8.435   9.509   9.588
  909    HA3  GLY  11           HA1      GLY  11  -8.490   8.257   8.353
  910    H    ARG  12           HN       ARG  12  -6.842   9.164  10.961
  911    HA   ARG  12           HA       ARG  12  -4.151   9.173  10.331
  912    HB2  ARG  12           HB2      ARG  12  -5.377   9.448  12.614
  913    HB3  ARG  12           HB1      ARG  12  -5.134   7.713  12.755
  914    HG2  ARG  12           HG2      ARG  12  -3.333   8.715  13.877
  915    HG3  ARG  12           HG1      ARG  12  -2.684   8.150  12.336
  916    HD2  ARG  12           HD2      ARG  12  -2.942  10.424  11.427
  917    HD3  ARG  12           HD1      ARG  12  -3.517  10.969  13.002
  918    HE   ARG  12           HE       ARG  12  -0.835   9.799  12.694
  919   HH11  ARG  12          HH11      ARG  12  -2.925  12.414  13.663
  920   HH12  ARG  12          HH12      ARG  12  -1.656  13.319  14.417
  921   HH21  ARG  12          HH21      ARG  12   0.840  10.983  13.687
  922   HH22  ARG  12          HH22      ARG  12   0.483  12.505  14.432
  923    H    GLU  13           HN       GLU  13  -6.118   6.251  11.008
  924    HA   GLU  13           HA       GLU  13  -4.081   4.411  10.850
  925    HB2  GLU  13           HB2      GLU  13  -6.362   3.853  11.544
  926    HB3  GLU  13           HB1      GLU  13  -6.930   4.076   9.896
  927    HG2  GLU  13           HG2      GLU  13  -5.643   2.190   9.143
  928    HG3  GLU  13           HG1      GLU  13  -4.908   2.012  10.736
  929    H    ASN  14           HN       ASN  14  -6.027   5.686   8.159
  930    HA   ASN  14           HA       ASN  14  -4.812   4.108   6.132
  931    HB2  ASN  14           HB2      ASN  14  -6.150   6.802   5.831
  932    HB3  ASN  14           HB1      ASN  14  -5.910   5.591   4.575
  933   HD21  ASN  14          HD21      ASN  14  -8.382   6.762   5.385
  934   HD22  ASN  14          HD22      ASN  14  -9.388   5.486   5.971
  935    H    PHE  15           HN       PHE  15  -4.241   7.403   7.303
  936    HA   PHE  15           HA       PHE  15  -2.279   8.170   5.493
  937    HB2  PHE  15           HB2      PHE  15  -3.397   9.670   7.121
  938    HB3  PHE  15           HB1      PHE  15  -2.460   8.931   8.414
  939    HD1  PHE  15           HD2      PHE  15  -1.376   9.955   4.992
  940    HD2  PHE  15           HD1      PHE  15  -1.089  10.620   9.196
  941    HE1  PHE  15           HE2      PHE  15   0.417  11.570   4.609
  942    HE2  PHE  15           HE1      PHE  15   0.733  12.235   8.804
  943    HZ   PHE  15           HZ       PHE  15   1.482  12.706   6.502
  944    H    GLU  16           HN       GLU  16  -1.916   6.498   8.607
  945    HA   GLU  16           HA       GLU  16   0.915   6.347   8.613
  946    HB2  GLU  16           HB2      GLU  16  -1.160   4.580   9.916
  947    HB3  GLU  16           HB1      GLU  16   0.566   4.502  10.246
  948    HG2  GLU  16           HG2      GLU  16   0.534   6.769  11.097
  949    HG3  GLU  16           HG1      GLU  16  -1.179   6.912  10.704
  950    H    ILE  17           HN       ILE  17  -1.505   4.000   7.390
  951    HA   ILE  17           HA       ILE  17   0.427   2.050   6.732
  952    HB   ILE  17           HB       ILE  17  -2.409   2.491   6.097
  953   HG12  ILE  17          HG12      ILE  17  -0.987  -0.121   6.500
  954   HG13  ILE  17          HG11      ILE  17  -1.253   0.963   7.858
  955   HG21  ILE  17          HG21      ILE  17  -2.470   0.816   4.308
  956   HG22  ILE  17          HG22      ILE  17  -0.705   0.761   4.305
  957   HG23  ILE  17          HG23      ILE  17  -1.544   2.240   3.827
  958   HD11  ILE  17          HD11      ILE  17  -3.625   0.807   7.588
  959   HD12  ILE  17          HD12      ILE  17  -2.950  -0.826   7.613
  960   HD13  ILE  17          HD13      ILE  17  -3.439  -0.096   6.082
  961    H    LEU  18           HN       LEU  18  -0.932   4.762   4.846
  962    HA   LEU  18           HA       LEU  18   0.447   4.032   2.441
  963    HB2  LEU  18           HB2      LEU  18  -1.141   6.392   3.378
  964    HB3  LEU  18           HB1      LEU  18  -0.211   6.476   1.896
  965    HG   LEU  18           HG       LEU  18  -1.877   4.103   1.966
  966   HD11  LEU  18          HD11      LEU  18  -3.392   5.373   3.305
  967   HD12  LEU  18          HD12      LEU  18  -4.011   5.360   1.655
  968   HD13  LEU  18          HD13      LEU  18  -3.194   6.790   2.279
  969   HD21  LEU  18          HD21      LEU  18  -1.589   6.478   0.136
  970   HD22  LEU  18          HD22      LEU  18  -2.624   5.091  -0.204
  971   HD23  LEU  18          HD23      LEU  18  -0.880   4.876  -0.062
  972    H    MET  19           HN       MET  19   0.940   6.337   5.086
  973    HA   MET  19           HA       MET  19   3.120   7.696   3.981
  974    HB2  MET  19           HB2      MET  19   1.724   8.106   6.220
  975    HB3  MET  19           HB1      MET  19   3.039   7.199   6.943
  976    HG2  MET  19           HG2      MET  19   3.170   9.839   5.526
  977    HG3  MET  19           HG1      MET  19   3.515   9.486   7.213
  978    HE1  MET  19           HE1      MET  19   5.771  11.086   6.568
  979    HE2  MET  19           HE2      MET  19   5.158  11.082   4.913
  980    HE3  MET  19           HE3      MET  19   6.834  10.629   5.236
  981    H    LYS  20           HN       LYS  20   3.075   4.900   6.144
  982    HA   LYS  20           HA       LYS  20   5.820   4.404   6.253
  983    HB2  LYS  20           HB2      LYS  20   3.730   3.268   7.407
  984    HB3  LYS  20           HB1      LYS  20   3.890   2.140   6.069
  985    HG2  LYS  20           HG2      LYS  20   6.232   2.833   7.801
  986    HG3  LYS  20           HG1      LYS  20   5.071   1.591   8.272
  987    HD2  LYS  20           HD2      LYS  20   5.492   0.480   6.072
  988    HD3  LYS  20           HD1      LYS  20   6.781   1.651   5.790
  989    HE2  LYS  20           HE2      LYS  20   6.657  -0.170   8.185
  990    HE3  LYS  20           HE1      LYS  20   7.538  -0.553   6.708
  991    HZ1  LYS  20           HZ1      LYS  20   9.013   0.395   8.343
  992    HZ2  LYS  20           HZ2      LYS  20   8.037   1.768   8.493
  993    HZ3  LYS  20           HZ3      LYS  20   8.855   1.468   7.044
  994    H    LEU  21           HN       LEU  21   3.379   3.589   3.859
  995    HA   LEU  21           HA       LEU  21   5.107   1.984   2.283
  996    HB2  LEU  21           HB2      LEU  21   2.848   1.511   1.970
  997    HB3  LEU  21           HB1      LEU  21   2.405   3.202   1.864
  998    HG   LEU  21           HG       LEU  21   3.243   3.359  -0.381
  999   HD11  LEU  21          HD11      LEU  21   4.689   0.948   0.356
 1000   HD12  LEU  21          HD12      LEU  21   5.046   2.152  -0.880
 1001   HD13  LEU  21          HD13      LEU  21   3.919   0.840  -1.226
 1002   HD21  LEU  21          HD21      LEU  21   1.828   1.695  -1.516
 1003   HD22  LEU  21          HD22      LEU  21   1.004   2.473  -0.164
 1004   HD23  LEU  21          HD23      LEU  21   1.643   0.839   0.013
 1005    H    LYS  22           HN       LYS  22   4.228   5.414   2.126
 1006    HA   LYS  22           HA       LYS  22   5.373   6.032  -0.333
 1007    HB2  LYS  22           HB2      LYS  22   4.052   7.691   0.795
 1008    HB3  LYS  22           HB1      LYS  22   5.103   7.656   2.205
 1009    HG2  LYS  22           HG2      LYS  22   6.676   8.314  -0.070
 1010    HG3  LYS  22           HG1      LYS  22   5.244   9.341  -0.058
 1011    HD2  LYS  22           HD2      LYS  22   6.917   8.939   2.401
 1012    HD3  LYS  22           HD1      LYS  22   7.313  10.169   1.200
 1013    HE2  LYS  22           HE2      LYS  22   4.806  10.841   1.492
 1014    HE3  LYS  22           HE1      LYS  22   4.958   9.983   3.025
 1015    HZ1  LYS  22           HZ1      LYS  22   6.595  12.289   2.123
 1016    HZ2  LYS  22           HZ2      LYS  22   6.861  11.425   3.552
 1017    HZ3  LYS  22           HZ3      LYS  22   5.428  12.299   3.347
 1018    H    GLU  23           HN       GLU  23   6.720   5.707   2.868
 1019    HA   GLU  23           HA       GLU  23   9.366   6.518   2.242
 1020    HB2  GLU  23           HB2      GLU  23   8.839   6.564   4.527
 1021    HB3  GLU  23           HB1      GLU  23   8.060   4.991   4.477
 1022    HG2  GLU  23           HG2      GLU  23  10.143   3.869   4.392
 1023    HG3  GLU  23           HG1      GLU  23  11.017   5.379   4.133
 1024    H    SER  24           HN       SER  24   7.838   3.291   2.395
 1025    HA   SER  24           HA       SER  24  10.163   1.923   1.710
 1026    HB2  SER  24           HB2      SER  24   7.413   0.991   0.917
 1027    HB3  SER  24           HB1      SER  24   8.820   0.007   1.305
 1028    HG   SER  24           HG       SER  24   8.649   1.036   3.460
 1029    H    LEU  25           HN       LEU  25   7.549   3.097  -0.426
 1030    HA   LEU  25           HA       LEU  25   8.617   2.092  -2.856
 1031    HB2  LEU  25           HB2      LEU  25   6.572   4.113  -2.092
 1032    HB3  LEU  25           HB1      LEU  25   7.185   4.135  -3.734
 1033    HG   LEU  25           HG       LEU  25   5.983   1.684  -2.451
 1034   HD11  LEU  25          HD11      LEU  25   4.000   2.211  -3.863
 1035   HD12  LEU  25          HD12      LEU  25   4.702   3.800  -4.165
 1036   HD13  LEU  25          HD13      LEU  25   4.256   3.330  -2.525
 1037   HD21  LEU  25          HD21      LEU  25   7.514   1.328  -4.367
 1038   HD22  LEU  25          HD22      LEU  25   6.466   2.360  -5.347
 1039   HD23  LEU  25          HD23      LEU  25   5.850   0.841  -4.698
 1040    H    GLU  26           HN       GLU  26   8.937   5.275  -1.307
 1041    HA   GLU  26           HA       GLU  26  10.415   6.445  -3.414
 1042    HB2  GLU  26           HB2      GLU  26  10.000   7.123  -0.530
 1043    HB3  GLU  26           HB1      GLU  26  11.209   7.994  -1.465
 1044    HG2  GLU  26           HG2      GLU  26   9.352   8.432  -3.149
 1045    HG3  GLU  26           HG1      GLU  26   8.245   7.883  -1.892
 1046    H    LEU  27           HN       LEU  27  11.411   4.802  -0.446
 1047    HA   LEU  27           HA       LEU  27  14.215   5.169  -0.708
 1048    HB2  LEU  27           HB2      LEU  27  12.495   3.180   0.719
 1049    HB3  LEU  27           HB1      LEU  27  14.243   3.079   0.730
 1050    HG   LEU  27           HG       LEU  27  12.800   5.538   1.680
 1051   HD11  LEU  27          HD11      LEU  27  11.967   3.632   2.959
 1052   HD12  LEU  27          HD12      LEU  27  13.020   4.644   3.947
 1053   HD13  LEU  27          HD13      LEU  27  13.623   3.121   3.290
 1054   HD21  LEU  27          HD21      LEU  27  15.187   5.759   1.188
 1055   HD22  LEU  27          HD22      LEU  27  15.534   4.390   2.246
 1056   HD23  LEU  27          HD23      LEU  27  14.880   5.884   2.920
 1057    H    MET  28           HN       MET  28  12.072   2.784  -2.284
 1058    HA   MET  28           HA       MET  28  14.024   0.955  -2.775
 1059    HB2  MET  28           HB2      MET  28  11.506   1.647  -4.176
 1060    HB3  MET  28           HB1      MET  28  12.654   0.715  -5.125
 1061    HG2  MET  28           HG2      MET  28  10.857  -0.533  -3.802
 1062    HG3  MET  28           HG1      MET  28  12.513  -1.126  -3.722
 1063    HE1  MET  28           HE1      MET  28  13.733  -1.532  -2.009
 1064    HE2  MET  28           HE2      MET  28  13.444  -1.220  -0.298
 1065    HE3  MET  28           HE3      MET  28  14.151   0.034  -1.313
 1066    H    GLU  29           HN       GLU  29  14.102   4.108  -3.905
 1067    HA   GLU  29           HA       GLU  29  15.714   3.470  -6.232
 1068    HB2  GLU  29           HB2      GLU  29  15.620   5.767  -6.768
 1069    HB3  GLU  29           HB1      GLU  29  14.022   5.360  -6.158
 1070    HG2  GLU  29           HG2      GLU  29  14.685   6.277  -3.955
 1071    HG3  GLU  29           HG1      GLU  29  16.213   6.783  -4.668
 1072    H    LEU  30           HN       LEU  30  16.199   4.073  -2.896
 1073    HA   LEU  30           HA       LEU  30  18.905   5.067  -3.334
 1074    HB2  LEU  30           HB2      LEU  30  18.721   6.154  -1.399
 1075    HB3  LEU  30           HB1      LEU  30  17.011   5.808  -1.526
 1076    HG   LEU  30           HG       LEU  30  18.957   4.078  -0.014
 1077   HD11  LEU  30          HD11      LEU  30  18.867   6.292   0.989
 1078   HD12  LEU  30          HD12      LEU  30  18.035   5.117   2.007
 1079   HD13  LEU  30          HD13      LEU  30  17.105   6.228   1.003
 1080   HD21  LEU  30          HD21      LEU  30  16.843   3.281   1.076
 1081   HD22  LEU  30          HD22      LEU  30  17.030   2.824  -0.616
 1082   HD23  LEU  30          HD23      LEU  30  15.958   4.152  -0.174
 1083    H    VAL  31           HN       VAL  31  17.495   2.110  -3.163
 1084    HA   VAL  31           HA       VAL  31  19.729   0.942  -1.666
 1085    HB   VAL  31           HB       VAL  31  17.655   0.005  -0.958
 1086   HG11  VAL  31          HG11      VAL  31  16.281   0.635  -2.872
 1087   HG12  VAL  31          HG12      VAL  31  16.071  -1.069  -2.467
 1088   HG13  VAL  31          HG13      VAL  31  17.065  -0.606  -3.850
 1089   HG21  VAL  31          HG21      VAL  31  17.936  -2.405  -2.045
 1090   HG22  VAL  31          HG22      VAL  31  19.085  -1.757  -0.877
 1091   HG23  VAL  31          HG23      VAL  31  19.448  -1.691  -2.600
 1092    HA   PRO  32           HA       PRO  32  22.053   0.432  -5.397
 1093    HB2  PRO  32           HB2      PRO  32  22.777  -2.120  -3.989
 1094    HB3  PRO  32           HB1      PRO  32  23.825  -0.982  -4.845
 1095    HG2  PRO  32           HG2      PRO  32  23.649  -0.969  -2.174
 1096    HG3  PRO  32           HG1      PRO  32  23.836   0.531  -3.099
 1097    HD2  PRO  32           HD2      PRO  32  21.476  -0.504  -1.655
 1098    HD3  PRO  32           HD1      PRO  32  21.884   1.164  -2.101
 1099    H    GLN  33           HN       GLN  33  21.338  -0.316  -7.289
 1100    HA   GLN  33           HA       GLN  33  19.134  -1.876  -7.704
 1101    HB2  GLN  33           HB2      GLN  33  20.188  -0.475  -9.425
 1102    HB3  GLN  33           HB1      GLN  33  21.509  -1.626  -9.552
 1103    HG2  GLN  33           HG2      GLN  33  19.955  -3.337 -10.328
 1104    HG3  GLN  33           HG1      GLN  33  18.622  -2.191 -10.188
 1105   HE21  GLN  33          HE21      GLN  33  18.123  -2.338 -12.368
 1106   HE22  GLN  33          HE22      GLN  33  19.113  -1.630 -13.594
 1107    HA   PRO  34           HA       PRO  34  22.125  -5.753  -8.390
 1108    HB2  PRO  34           HB2      PRO  34  24.012  -5.096  -6.183
 1109    HB3  PRO  34           HB1      PRO  34  24.320  -5.898  -7.728
 1110    HG2  PRO  34           HG2      PRO  34  25.067  -3.379  -7.357
 1111    HG3  PRO  34           HG1      PRO  34  24.371  -3.894  -8.906
 1112    HD2  PRO  34           HD2      PRO  34  23.100  -2.366  -6.671
 1113    HD3  PRO  34           HD1      PRO  34  22.930  -2.149  -8.425
 1114    H    LEU  35           HN       LEU  35  21.408  -4.186  -5.318
 1115    HA   LEU  35           HA       LEU  35  21.138  -6.645  -3.852
 1116    HB2  LEU  35           HB2      LEU  35  20.961  -3.756  -3.294
 1117    HB3  LEU  35           HB1      LEU  35  19.895  -4.757  -2.334
 1118    HG   LEU  35           HG       LEU  35  22.735  -5.585  -2.511
 1119   HD11  LEU  35          HD11      LEU  35  22.883  -3.160  -2.183
 1120   HD12  LEU  35          HD12      LEU  35  23.388  -4.046  -0.744
 1121   HD13  LEU  35          HD13      LEU  35  21.797  -3.287  -0.799
 1122   HD21  LEU  35          HD21      LEU  35  20.693  -5.515  -0.289
 1123   HD22  LEU  35          HD22      LEU  35  22.311  -6.211  -0.178
 1124   HD23  LEU  35          HD23      LEU  35  21.119  -6.919  -1.269
 1125    H    VAL  36           HN       VAL  36  19.020  -4.415  -5.528
 1126    HA   VAL  36           HA       VAL  36  16.595  -5.545  -4.480
 1127    HB   VAL  36           HB       VAL  36  17.117  -3.735  -6.845
 1128   HG11  VAL  36          HG11      VAL  36  14.483  -4.826  -5.858
 1129   HG12  VAL  36          HG12      VAL  36  15.213  -5.079  -7.444
 1130   HG13  VAL  36          HG13      VAL  36  14.647  -3.475  -6.979
 1131   HG21  VAL  36          HG21      VAL  36  17.360  -2.711  -4.645
 1132   HG22  VAL  36          HG22      VAL  36  15.749  -3.271  -4.195
 1133   HG23  VAL  36          HG23      VAL  36  15.941  -2.076  -5.478
 1134    H    ASP  37           HN       ASP  37  18.547  -6.030  -7.375
 1135    HA   ASP  37           HA       ASP  37  16.815  -7.805  -8.689
 1136    HB2  ASP  37           HB2      ASP  37  18.769  -6.851  -9.810
 1137    HB3  ASP  37           HB1      ASP  37  19.844  -7.701  -8.703
 1138    H    SER  38           HN       SER  38  19.436  -8.383  -6.325
 1139    HA   SER  38           HA       SER  38  19.246 -11.164  -6.279
 1140    HB2  SER  38           HB2      SER  38  20.030  -9.285  -4.039
 1141    HB3  SER  38           HB1      SER  38  20.350 -11.019  -4.070
 1142    HG   SER  38           HG       SER  38  22.168  -9.983  -4.817
 1143    H    TYR  39           HN       TYR  39  17.535  -8.744  -4.304
 1144    HA   TYR  39           HA       TYR  39  16.171 -10.550  -2.647
 1145    HB2  TYR  39           HB2      TYR  39  16.079  -8.350  -1.895
 1146    HB3  TYR  39           HB1      TYR  39  15.692  -7.714  -3.491
 1147    HD1  TYR  39           HD2      TYR  39  14.306  -9.533  -0.586
 1148    HD2  TYR  39           HD1      TYR  39  13.441  -7.459  -4.195
 1149    HE1  TYR  39           HE2      TYR  39  11.922  -9.514   0.002
 1150    HE2  TYR  39           HE1      TYR  39  11.058  -7.439  -3.626
 1151    HH   TYR  39           HH       TYR  39   9.485  -8.687  -2.224
 1152    H    ARG  40           HN       ARG  40  15.232  -9.039  -5.709
 1153    HA   ARG  40           HA       ARG  40  12.650 -10.058  -5.906
 1154    HB2  ARG  40           HB2      ARG  40  14.678  -9.265  -7.980
 1155    HB3  ARG  40           HB1      ARG  40  13.088  -9.864  -8.436
 1156    HG2  ARG  40           HG2      ARG  40  12.029  -8.053  -7.231
 1157    HG3  ARG  40           HG1      ARG  40  13.604  -7.471  -6.687
 1158    HD2  ARG  40           HD2      ARG  40  14.249  -7.105  -9.037
 1159    HD3  ARG  40           HD1      ARG  40  12.643  -7.627  -9.542
 1160    HE   ARG  40           HE       ARG  40  12.403  -5.524  -7.689
 1161   HH11  ARG  40          HH11      ARG  40  13.413  -6.122 -10.971
 1162   HH12  ARG  40          HH12      ARG  40  13.016  -4.528 -11.518
 1163   HH21  ARG  40          HH21      ARG  40  11.878  -3.424  -8.403
 1164   HH22  ARG  40          HH22      ARG  40  12.143  -2.995 -10.059
 1165    H    GLN  41           HN       GLN  41  15.740 -11.534  -6.630
 1166    HA   GLN  41           HA       GLN  41  14.720 -13.857  -7.933
 1167    HB2  GLN  41           HB2      GLN  41  17.076 -13.084  -8.105
 1168    HB3  GLN  41           HB1      GLN  41  17.310 -13.508  -6.414
 1169    HG2  GLN  41           HG2      GLN  41  18.186 -15.301  -7.619
 1170    HG3  GLN  41           HG1      GLN  41  16.607 -15.850  -7.058
 1171   HE21  GLN  41          HE21      GLN  41  18.501 -14.887  -9.802
 1172   HE22  GLN  41          HE22      GLN  41  17.404 -15.445 -11.014
 1173    H    GLN  42           HN       GLN  42  15.818 -13.243  -4.599
 1174    HA   GLN  42           HA       GLN  42  15.199 -15.798  -3.605
 1175    HB2  GLN  42           HB2      GLN  42  16.659 -14.223  -2.419
 1176    HB3  GLN  42           HB1      GLN  42  15.289 -13.154  -2.144
 1177    HG2  GLN  42           HG2      GLN  42  14.280 -14.659  -0.646
 1178    HG3  GLN  42           HG1      GLN  42  15.336 -15.980  -1.138
 1179   HE21  GLN  42          HE21      GLN  42  16.437 -12.705  -0.504
 1180   HE22  GLN  42          HE22      GLN  42  17.339 -13.086   0.916
 1181    H    GLN  43           HN       GLN  43  13.240 -13.027  -4.273
 1182    HA   GLN  43           HA       GLN  43  10.979 -13.979  -2.733
 1183    HB2  GLN  43           HB2      GLN  43  11.457 -11.551  -2.978
 1184    HB3  GLN  43           HB1      GLN  43  11.144 -11.688  -4.703
 1185    HG2  GLN  43           HG2      GLN  43   9.234 -10.769  -3.500
 1186    HG3  GLN  43           HG1      GLN  43   8.845 -12.310  -4.265
 1187   HE21  GLN  43          HE21      GLN  43   8.455 -14.108  -2.990
 1188   HE22  GLN  43          HE22      GLN  43   8.171 -13.996  -1.290
 1189    H    GLN  44           HN       GLN  44  12.120 -13.967  -6.031
 1190    HA   GLN  44           HA       GLN  44   9.698 -14.732  -7.282
 1191    HB2  GLN  44           HB2      GLN  44  12.050 -13.896  -8.242
 1192    HB3  GLN  44           HB1      GLN  44  12.299 -15.626  -8.423
 1193    HG2  GLN  44           HG2      GLN  44  11.440 -14.676 -10.467
 1194    HG3  GLN  44           HG1      GLN  44  10.258 -15.776  -9.761
 1195   HE21  GLN  44          HE21      GLN  44   8.368 -14.939  -8.864
 1196   HE22  GLN  44          HE22      GLN  44   7.825 -13.334  -9.205
 1197    H    LEU  45           HN       LEU  45  12.072 -16.397  -5.445
 1198    HA   LEU  45           HA       LEU  45  11.813 -19.023  -6.316
 1199    HB2  LEU  45           HB2      LEU  45  13.477 -18.813  -4.761
 1200    HB3  LEU  45           HB1      LEU  45  12.569 -17.678  -3.783
 1201    HG   LEU  45           HG       LEU  45  11.122 -19.813  -3.219
 1202   HD11  LEU  45          HD11      LEU  45  12.258 -21.305  -4.763
 1203   HD12  LEU  45          HD12      LEU  45  12.496 -21.830  -3.096
 1204   HD13  LEU  45          HD13      LEU  45  13.793 -20.997  -3.952
 1205   HD21  LEU  45          HD21      LEU  45  13.820 -19.163  -2.051
 1206   HD22  LEU  45          HD22      LEU  45  12.639 -20.232  -1.293
 1207   HD23  LEU  45          HD23      LEU  45  12.250 -18.530  -1.549
 1208    H    LEU  46           HN       LEU  46   9.965 -17.299  -3.829
 1209    HA   LEU  46           HA       LEU  46   7.756 -19.187  -4.245
 1210    HB2  LEU  46           HB2      LEU  46   8.791 -19.899  -2.217
 1211    HB3  LEU  46           HB1      LEU  46   8.911 -18.256  -1.626
 1212    HG   LEU  46           HG       LEU  46   6.454 -18.164  -1.410
 1213   HD11  LEU  46          HD11      LEU  46   5.871 -19.752  -3.155
 1214   HD12  LEU  46          HD12      LEU  46   5.147 -20.211  -1.615
 1215   HD13  LEU  46          HD13      LEU  46   6.571 -21.064  -2.209
 1216   HD21  LEU  46          HD21      LEU  46   6.277 -19.658   0.509
 1217   HD22  LEU  46          HD22      LEU  46   7.832 -18.825   0.496
 1218   HD23  LEU  46          HD23      LEU  46   7.731 -20.511  -0.012
 1219    H    GLN  47           HN       GLN  47   6.781 -17.612  -5.557
 1220    HA   GLN  47           HA       GLN  47   6.115 -15.030  -4.398
 1221    HB2  GLN  47           HB2      GLN  47   6.731 -15.656  -6.907
 1222    HB3  GLN  47           HB1      GLN  47   5.001 -15.951  -7.009
 1223    HG2  GLN  47           HG2      GLN  47   6.143 -13.374  -5.982
 1224    HG3  GLN  47           HG1      GLN  47   5.810 -13.659  -7.689
 1225   HE21  GLN  47          HE21      GLN  47   4.440 -13.184  -4.537
 1226   HE22  GLN  47          HE22      GLN  47   2.815 -12.914  -5.058
 1227    H    ARG  48           HN       ARG  48   5.038 -16.931  -2.848
 1228    HA   ARG  48           HA       ARG  48   2.171 -16.641  -3.375
 1229    HB2  ARG  48           HB2      ARG  48   3.487 -19.216  -2.491
 1230    HB3  ARG  48           HB1      ARG  48   1.756 -18.950  -2.640
 1231    HG2  ARG  48           HG2      ARG  48   1.962 -18.662  -5.020
 1232    HG3  ARG  48           HG1      ARG  48   3.719 -18.788  -4.911
 1233    HD2  ARG  48           HD2      ARG  48   2.667 -20.883  -5.669
 1234    HD3  ARG  48           HD1      ARG  48   3.545 -21.076  -4.154
 1235    HE   ARG  48           HE       ARG  48   0.766 -20.515  -3.762
 1236   HH11  ARG  48          HH11      ARG  48   3.078 -23.033  -4.440
 1237   HH12  ARG  48          HH12      ARG  48   2.085 -24.296  -3.794
 1238   HH21  ARG  48          HH21      ARG  48  -0.548 -22.171  -2.910
 1239   HH22  ARG  48          HH22      ARG  48   0.023 -23.807  -2.925
 1240    H    ASP   1           HT1      ASP   1  -5.315  17.039  15.192
 1241    HA   ASP   1           HA       ASP   1  -7.204  15.973  14.150
 1242    HB2  ASP   1           HB2      ASP   1  -5.429  17.528  12.254
 1243    HB3  ASP   1           HB1      ASP   1  -7.152  17.253  12.021
 1244    H    GLU   2           HN       GLU   2  -7.286  13.788  13.856
 1245    HA   GLU   2           HA       GLU   2  -5.594  12.410  11.993
 1246    HB2  GLU   2           HB2      GLU   2  -6.992  10.453  12.528
 1247    HB3  GLU   2           HB1      GLU   2  -6.411  11.266  13.974
 1248    HG2  GLU   2           HG2      GLU   2  -8.569  12.321  14.282
 1249    HG3  GLU   2           HG1      GLU   2  -9.160  11.590  12.790
 1250    H    ASP   3           HN       ASP   3  -7.492  14.617  11.072
 1251    HA   ASP   3           HA       ASP   3  -9.388  13.304   9.377
 1252    HB2  ASP   3           HB2      ASP   3  -8.366  16.145   9.211
 1253    HB3  ASP   3           HB1      ASP   3  -9.837  15.514   8.478
 1254    H    THR   4           HN       THR   4  -8.606  15.265   7.113
 1255    HA   THR   4           HA       THR   4  -7.113  13.338   5.639
 1256    HB   THR   4           HB       THR   4  -7.250  16.032   4.500
 1257    HG1  THR   4           HG1      THR   4  -9.670  15.048   4.135
 1258   HG21  THR   4          HG21      THR   4  -6.559  14.104   3.180
 1259   HG22  THR   4          HG22      THR   4  -8.065  14.770   2.547
 1260   HG23  THR   4          HG23      THR   4  -8.092  13.302   3.529
 1261    H    TYR   5           HN       TYR   5  -5.109  13.413   4.858
 1262    HA   TYR   5           HA       TYR   5  -3.230  15.263   6.170
 1263    HB2  TYR   5           HB2      TYR   5  -3.105  12.301   5.795
 1264    HB3  TYR   5           HB1      TYR   5  -1.660  13.267   6.073
 1265    HD1  TYR   5           HD1      TYR   5  -1.481  14.605   8.189
 1266    HD2  TYR   5           HD2      TYR   5  -4.532  11.707   7.575
 1267    HE1  TYR   5           HE1      TYR   5  -1.869  14.511  10.612
 1268    HE2  TYR   5           HE2      TYR   5  -4.934  11.604   9.998
 1269    HH   TYR   5           HH       TYR   5  -3.630  13.897  12.167
 1270    H    TYR   6           HN       TYR   6  -1.139  15.470   4.877
 1271    HA   TYR   6           HA       TYR   6  -1.590  14.787   2.059
 1272    HB2  TYR   6           HB2      TYR   6   0.340  16.905   3.024
 1273    HB3  TYR   6           HB1      TYR   6  -0.307  16.690   1.404
 1274    HD1  TYR   6           HD1      TYR   6  -3.201  16.328   2.112
 1275    HD2  TYR   6           HD2      TYR   6  -0.316  19.130   3.489
 1276    HE1  TYR   6           HE1      TYR   6  -5.001  17.922   2.590
 1277    HE2  TYR   6           HE2      TYR   6  -2.109  20.742   3.979
 1278    HH   TYR   6           HH       TYR   6  -5.383  19.885   4.053
 1279    H    LEU   7           HN       LEU   7  -0.310  13.448   1.080
 1280    HA   LEU   7           HA       LEU   7   2.096  12.465   2.489
 1281    HB2  LEU   7           HB2      LEU   7  -0.205  11.184   1.684
 1282    HB3  LEU   7           HB1      LEU   7   0.880  10.872   0.359
 1283    HG   LEU   7           HG       LEU   7   2.103   9.385   1.533
 1284   HD11  LEU   7          HD11      LEU   7   1.899  11.288   3.703
 1285   HD12  LEU   7          HD12      LEU   7   3.189  10.159   3.301
 1286   HD13  LEU   7          HD13      LEU   7   1.800   9.612   4.240
 1287   HD21  LEU   7          HD21      LEU   7   0.672   7.984   2.783
 1288   HD22  LEU   7          HD22      LEU   7  -0.316   8.788   1.559
 1289   HD23  LEU   7          HD23      LEU   7  -0.360   9.342   3.233
 1290    H    GLN   8           HN       GLN   8   3.844  13.508   1.500
 1291    HA   GLN   8           HA       GLN   8   3.762  13.966  -1.296
 1292    HB2  GLN   8           HB2      GLN   8   5.128  15.085   0.776
 1293    HB3  GLN   8           HB1      GLN   8   6.385  14.141  -0.013
 1294    HG2  GLN   8           HG2      GLN   8   5.499  15.253  -2.173
 1295    HG3  GLN   8           HG1      GLN   8   4.802  16.429  -1.062
 1296   HE21  GLN   8          HE21      GLN   8   7.146  15.969   0.789
 1297   HE22  GLN   8          HE22      GLN   8   8.420  16.901   0.094
 1298    H    VAL   9           HN       VAL   9   4.073  12.522  -2.777
 1299    HA   VAL   9           HA       VAL   9   5.915  10.346  -2.169
 1300    HB   VAL   9           HB       VAL   9   3.329  10.266  -3.716
 1301   HG11  VAL   9          HG11      VAL   9   5.508   8.199  -3.671
 1302   HG12  VAL   9          HG12      VAL   9   4.845   9.048  -5.070
 1303   HG13  VAL   9          HG13      VAL   9   3.854   7.882  -4.194
 1304   HG21  VAL   9          HG21      VAL   9   2.641   8.632  -2.127
 1305   HG22  VAL   9          HG22      VAL   9   3.307  10.002  -1.236
 1306   HG23  VAL   9          HG23      VAL   9   4.263   8.534  -1.443
 1307    H    ARG  10           HN       ARG  10   7.597  10.058  -3.548
 1308    HA   ARG  10           HA       ARG  10   7.656  11.828  -5.891
 1309    HB2  ARG  10           HB2      ARG  10   9.476  11.851  -4.033
 1310    HB3  ARG  10           HB1      ARG  10  10.046  10.369  -4.786
 1311    HG2  ARG  10           HG2      ARG  10   9.635  12.823  -6.437
 1312    HG3  ARG  10           HG1      ARG  10  11.090  12.640  -5.456
 1313    HD2  ARG  10           HD2      ARG  10  11.522  10.477  -6.578
 1314    HD3  ARG  10           HD1      ARG  10  10.119  10.759  -7.606
 1315    HE   ARG  10           HE       ARG  10  11.755  12.975  -7.876
 1316   HH11  ARG  10          HH11      ARG  10  11.946   9.551  -8.491
 1317   HH12  ARG  10          HH12      ARG  10  13.053   9.719  -9.812
 1318   HH21  ARG  10          HH21      ARG  10  13.212  13.207  -9.614
 1319   HH22  ARG  10          HH22      ARG  10  13.773  11.797 -10.450
 1320    H    GLY  11           HN       GLY  11   7.939  11.107  -7.909
 1321    HA2  GLY  11           HA2      GLY  11   8.428   9.514  -9.585
 1322    HA3  GLY  11           HA1      GLY  11   8.482   8.263  -8.350
 1323    H    ARG  12           HN       ARG  12   6.834   9.169 -10.958
 1324    HA   ARG  12           HA       ARG  12   4.143   9.177 -10.328
 1325    HB2  ARG  12           HB2      ARG  12   5.367   9.454 -12.611
 1326    HB3  ARG  12           HB1      ARG  12   5.127   7.718 -12.754
 1327    HG2  ARG  12           HG2      ARG  12   3.323   8.718 -13.874
 1328    HG3  ARG  12           HG1      ARG  12   2.677   8.153 -12.333
 1329    HD2  ARG  12           HD2      ARG  12   2.933  10.426 -11.425
 1330    HD3  ARG  12           HD1      ARG  12   3.509  10.972 -12.999
 1331    HE   ARG  12           HE       ARG  12   0.827   9.801 -12.692
 1332   HH11  ARG  12          HH11      ARG  12   2.915  12.416 -13.662
 1333   HH12  ARG  12          HH12      ARG  12   1.645  13.321 -14.415
 1334   HH21  ARG  12          HH21      ARG  12  -0.850  10.984 -13.685
 1335   HH22  ARG  12          HH22      ARG  12  -0.494  12.507 -14.430
 1336    H    GLU  13           HN       GLU  13   6.114   6.257 -11.002
 1337    HA   GLU  13           HA       GLU  13   4.078   4.415 -10.848
 1338    HB2  GLU  13           HB2      GLU  13   6.358   3.859 -11.541
 1339    HB3  GLU  13           HB1      GLU  13   6.926   4.082  -9.893
 1340    HG2  GLU  13           HG2      GLU  13   5.640   2.196  -9.140
 1341    HG3  GLU  13           HG1      GLU  13   4.905   2.017 -10.733
 1342    H    ASN  14           HN       ASN  14   6.022   5.691  -8.157
 1343    HA   ASN  14           HA       ASN  14   4.809   4.112  -6.129
 1344    HB2  ASN  14           HB2      ASN  14   6.145   6.808  -5.829
 1345    HB3  ASN  14           HB1      ASN  14   5.906   5.597  -4.573
 1346   HD21  ASN  14          HD21      ASN  14   8.375   6.771  -5.383
 1347   HD22  ASN  14          HD22      ASN  14   9.383   5.496  -5.966
 1348    H    PHE  15           HN       PHE  15   4.233   7.407  -7.302
 1349    HA   PHE  15           HA       PHE  15   2.272   8.174  -5.490
 1350    HB2  PHE  15           HB2      PHE  15   3.388   9.674  -7.120
 1351    HB3  PHE  15           HB1      PHE  15   2.450   8.933  -8.412
 1352    HD1  PHE  15           HD2      PHE  15   1.367   9.956  -4.990
 1353    HD2  PHE  15           HD1      PHE  15   1.078  10.622  -9.194
 1354    HE1  PHE  15           HE2      PHE  15  -0.427  11.569  -4.607
 1355    HE2  PHE  15           HE1      PHE  15  -0.745  12.236  -8.800
 1356    HZ   PHE  15           HZ       PHE  15  -1.493  12.706  -6.498
 1357    H    GLU  16           HN       GLU  16   1.910   6.500  -8.602
 1358    HA   GLU  16           HA       GLU  16  -0.921   6.348  -8.609
 1359    HB2  GLU  16           HB2      GLU  16   1.156   4.582  -9.912
 1360    HB3  GLU  16           HB1      GLU  16  -0.569   4.503 -10.243
 1361    HG2  GLU  16           HG2      GLU  16  -0.539   6.770 -11.095
 1362    HG3  GLU  16           HG1      GLU  16   1.174   6.914 -10.700
 1363    H    ILE  17           HN       ILE  17   1.501   4.002  -7.387
 1364    HA   ILE  17           HA       ILE  17  -0.429   2.050  -6.730
 1365    HB   ILE  17           HB       ILE  17   2.407   2.493  -6.094
 1366   HG12  ILE  17          HG12      ILE  17   0.987  -0.119  -6.496
 1367   HG13  ILE  17          HG11      ILE  17   1.252   0.964  -7.855
 1368   HG21  ILE  17          HG21      ILE  17   2.469   0.819  -4.306
 1369   HG22  ILE  17          HG22      ILE  17   0.704   0.764  -4.303
 1370   HG23  ILE  17          HG23      ILE  17   1.541   2.243  -3.825
 1371   HD11  ILE  17          HD11      ILE  17   3.624   0.810  -7.584
 1372   HD12  ILE  17          HD12      ILE  17   2.951  -0.823  -7.608
 1373   HD13  ILE  17          HD13      ILE  17   3.439  -0.092  -6.078
 1374    H    LEU  18           HN       LEU  18   0.927   4.764  -4.844
 1375    HA   LEU  18           HA       LEU  18  -0.450   4.033  -2.439
 1376    HB2  LEU  18           HB2      LEU  18   1.136   6.393  -3.378
 1377    HB3  LEU  18           HB1      LEU  18   0.205   6.479  -1.895
 1378    HG   LEU  18           HG       LEU  18   1.873   4.106  -1.964
 1379   HD11  LEU  18          HD11      LEU  18   3.387   5.377  -3.302
 1380   HD12  LEU  18          HD12      LEU  18   4.006   5.364  -1.651
 1381   HD13  LEU  18          HD13      LEU  18   3.188   6.794  -2.275
 1382   HD21  LEU  18          HD21      LEU  18   1.582   6.481  -0.134
 1383   HD22  LEU  18          HD22      LEU  18   2.618   5.094   0.206
 1384   HD23  LEU  18          HD23      LEU  18   0.874   4.878   0.063
 1385    H    MET  19           HN       MET  19  -0.946   6.338  -5.083
 1386    HA   MET  19           HA       MET  19  -3.127   7.695  -3.978
 1387    HB2  MET  19           HB2      MET  19  -1.732   8.105  -6.218
 1388    HB3  MET  19           HB1      MET  19  -3.045   7.196  -6.940
 1389    HG2  MET  19           HG2      MET  19  -3.179   9.836  -5.524
 1390    HG3  MET  19           HG1      MET  19  -3.523   9.483  -7.211
 1391    HE1  MET  19           HE1      MET  19  -5.780  11.081  -6.565
 1392    HE2  MET  19           HE2      MET  19  -5.168  11.078  -4.910
 1393    HE3  MET  19           HE3      MET  19  -6.843  10.624  -5.234
 1394    H    LYS  20           HN       LYS  20  -3.080   4.900  -6.141
 1395    HA   LYS  20           HA       LYS  20  -5.824   4.400  -6.250
 1396    HB2  LYS  20           HB2      LYS  20  -3.733   3.265  -7.403
 1397    HB3  LYS  20           HB1      LYS  20  -3.894   2.138  -6.064
 1398    HG2  LYS  20           HG2      LYS  20  -6.234   2.829  -7.798
 1399    HG3  LYS  20           HG1      LYS  20  -5.072   1.587  -8.268
 1400    HD2  LYS  20           HD2      LYS  20  -5.493   0.477  -6.069
 1401    HD3  LYS  20           HD1      LYS  20  -6.783   1.647  -5.788
 1402    HE2  LYS  20           HE2      LYS  20  -6.656  -0.173  -8.183
 1403    HE3  LYS  20           HE1      LYS  20  -7.536  -0.558  -6.706
 1404    HZ1  LYS  20           HZ1      LYS  20  -9.014   0.388  -8.339
 1405    HZ2  LYS  20           HZ2      LYS  20  -8.039   1.762  -8.490
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.856   1.461  -7.041
 1407    H    LEU  21           HN       LEU  21  -3.382   3.586  -3.855
 1408    HA   LEU  21           HA       LEU  21  -5.110   1.980  -2.280
 1409    HB2  LEU  21           HB2      LEU  21  -2.849   1.511  -1.968
 1410    HB3  LEU  21           HB1      LEU  21  -2.410   3.203  -1.860
 1411    HG   LEU  21           HG       LEU  21  -3.246   3.357   0.384
 1412   HD11  LEU  21          HD11      LEU  21  -4.691   0.944  -0.351
 1413   HD12  LEU  21          HD12      LEU  21  -5.048   2.149   0.885
 1414   HD13  LEU  21          HD13      LEU  21  -3.920   0.839   1.231
 1415   HD21  LEU  21          HD21      LEU  21  -1.829   1.696   1.519
 1416   HD22  LEU  21          HD22      LEU  21  -1.007   2.475   0.166
 1417   HD23  LEU  21          HD23      LEU  21  -1.643   0.840  -0.011
 1418    H    LYS  22           HN       LYS  22  -4.233   5.412  -2.124
 1419    HA   LYS  22           HA       LYS  22  -5.380   6.029   0.335
 1420    HB2  LYS  22           HB2      LYS  22  -4.059   7.689  -0.792
 1421    HB3  LYS  22           HB1      LYS  22  -5.110   7.653  -2.201
 1422    HG2  LYS  22           HG2      LYS  22  -6.685   8.310   0.072
 1423    HG3  LYS  22           HG1      LYS  22  -5.253   9.338   0.061
 1424    HD2  LYS  22           HD2      LYS  22  -6.924   8.935  -2.400
 1425    HD3  LYS  22           HD1      LYS  22  -7.322  10.165  -1.199
 1426    HE2  LYS  22           HE2      LYS  22  -4.814  10.839  -1.490
 1427    HE3  LYS  22           HE1      LYS  22  -4.966   9.981  -3.023
 1428    HZ1  LYS  22           HZ1      LYS  22  -6.606  12.285  -2.120
 1429    HZ2  LYS  22           HZ2      LYS  22  -6.871  11.421  -3.549
 1430    HZ3  LYS  22           HZ3      LYS  22  -5.438  12.297  -3.344
 1431    H    GLU  23           HN       GLU  23  -6.726   5.702  -2.866
 1432    HA   GLU  23           HA       GLU  23  -9.372   6.511  -2.239
 1433    HB2  GLU  23           HB2      GLU  23  -8.845   6.558  -4.525
 1434    HB3  GLU  23           HB1      GLU  23  -8.065   4.986  -4.475
 1435    HG2  GLU  23           HG2      GLU  23 -10.146   3.862  -4.389
 1436    HG3  GLU  23           HG1      GLU  23 -11.022   5.371  -4.130
 1437    H    SER  24           HN       SER  24  -7.840   3.286  -2.390
 1438    HA   SER  24           HA       SER  24 -10.165   1.916  -1.707
 1439    HB2  SER  24           HB2      SER  24  -7.414   0.985  -0.915
 1440    HB3  SER  24           HB1      SER  24  -8.820   0.000  -1.303
 1441    HG   SER  24           HG       SER  24  -8.651   1.032  -3.458
 1442    H    LEU  25           HN       LEU  25  -7.553   3.092   0.429
 1443    HA   LEU  25           HA       LEU  25  -8.620   2.087   2.859
 1444    HB2  LEU  25           HB2      LEU  25  -6.577   4.109   2.096
 1445    HB3  LEU  25           HB1      LEU  25  -7.190   4.129   3.738
 1446    HG   LEU  25           HG       LEU  25  -5.985   1.680   2.453
 1447   HD11  LEU  25          HD11      LEU  25  -4.002   2.208   3.865
 1448   HD12  LEU  25          HD12      LEU  25  -4.705   3.797   4.169
 1449   HD13  LEU  25          HD13      LEU  25  -4.260   3.328   2.528
 1450   HD21  LEU  25          HD21      LEU  25  -7.515   1.323   4.370
 1451   HD22  LEU  25          HD22      LEU  25  -6.467   2.355   5.350
 1452   HD23  LEU  25          HD23      LEU  25  -5.851   0.837   4.699
 1453    H    GLU  26           HN       GLU  26  -8.942   5.268   1.310
 1454    HA   GLU  26           HA       GLU  26 -10.420   6.436   3.415
 1455    HB2  GLU  26           HB2      GLU  26 -10.005   7.117   0.532
 1456    HB3  GLU  26           HB1      GLU  26 -11.216   7.985   1.468
 1457    HG2  GLU  26           HG2      GLU  26  -9.360   8.427   3.152
 1458    HG3  GLU  26           HG1      GLU  26  -8.252   7.879   1.896
 1459    H    LEU  27           HN       LEU  27 -11.415   4.791   0.449
 1460    HA   LEU  27           HA       LEU  27 -14.220   5.158   0.711
 1461    HB2  LEU  27           HB2      LEU  27 -12.501   3.169  -0.716
 1462    HB3  LEU  27           HB1      LEU  27 -14.248   3.070  -0.727
 1463    HG   LEU  27           HG       LEU  27 -12.805   5.528  -1.676
 1464   HD11  LEU  27          HD11      LEU  27 -11.970   3.623  -2.956
 1465   HD12  LEU  27          HD12      LEU  27 -13.023   4.636  -3.944
 1466   HD13  LEU  27          HD13      LEU  27 -13.626   3.113  -3.288
 1467   HD21  LEU  27          HD21      LEU  27 -15.192   5.748  -1.185
 1468   HD22  LEU  27          HD22      LEU  27 -15.537   4.378  -2.243
 1469   HD23  LEU  27          HD23      LEU  27 -14.885   5.873  -2.918
 1470    H    MET  28           HN       MET  28 -12.074   2.775   2.286
 1471    HA   MET  28           HA       MET  28 -14.026   0.946   2.778
 1472    HB2  MET  28           HB2      MET  28 -11.509   1.640   4.178
 1473    HB3  MET  28           HB1      MET  28 -12.655   0.706   5.127
 1474    HG2  MET  28           HG2      MET  28 -10.858  -0.541   3.805
 1475    HG3  MET  28           HG1      MET  28 -12.513  -1.134   3.724
 1476    HE1  MET  28           HE1      MET  28 -13.732  -1.540   2.011
 1477    HE2  MET  28           HE2      MET  28 -13.445  -1.227   0.300
 1478    HE3  MET  28           HE3      MET  28 -14.150   0.026   1.318
 1479    H    GLU  29           HN       GLU  29 -14.107   4.099   3.908
 1480    HA   GLU  29           HA       GLU  29 -15.719   3.457   6.235
 1481    HB2  GLU  29           HB2      GLU  29 -15.626   5.755   6.772
 1482    HB3  GLU  29           HB1      GLU  29 -14.028   5.348   6.161
 1483    HG2  GLU  29           HG2      GLU  29 -14.691   6.265   3.959
 1484    HG3  GLU  29           HG1      GLU  29 -16.220   6.770   4.672
 1485    H    LEU  30           HN       LEU  30 -16.204   4.062   2.898
 1486    HA   LEU  30           HA       LEU  30 -18.910   5.052   3.335
 1487    HB2  LEU  30           HB2      LEU  30 -18.726   6.140   1.400
 1488    HB3  LEU  30           HB1      LEU  30 -17.016   5.794   1.528
 1489    HG   LEU  30           HG       LEU  30 -18.961   4.063   0.016
 1490   HD11  LEU  30          HD11      LEU  30 -18.873   6.277  -0.988
 1491   HD12  LEU  30          HD12      LEU  30 -18.040   5.102  -2.005
 1492   HD13  LEU  30          HD13      LEU  30 -17.111   6.215  -1.002
 1493   HD21  LEU  30          HD21      LEU  30 -16.846   3.269  -1.073
 1494   HD22  LEU  30          HD22      LEU  30 -17.034   2.811   0.619
 1495   HD23  LEU  30          HD23      LEU  30 -15.962   4.139   0.177
 1496    H    VAL  31           HN       VAL  31 -17.497   2.097   3.166
 1497    HA   VAL  31           HA       VAL  31 -19.731   0.927   1.669
 1498    HB   VAL  31           HB       VAL  31 -17.656  -0.009   0.961
 1499   HG11  VAL  31          HG11      VAL  31 -16.283   0.623   2.874
 1500   HG12  VAL  31          HG12      VAL  31 -16.072  -1.081   2.470
 1501   HG13  VAL  31          HG13      VAL  31 -17.065  -0.619   3.853
 1502   HG21  VAL  31          HG21      VAL  31 -17.934  -2.418   2.047
 1503   HG22  VAL  31          HG22      VAL  31 -19.085  -1.772   0.880
 1504   HG23  VAL  31          HG23      VAL  31 -19.447  -1.707   2.603
 1505    HA   PRO  32           HA       PRO  32 -22.054   0.415   5.400
 1506    HB2  PRO  32           HB2      PRO  32 -22.776  -2.138   3.992
 1507    HB3  PRO  32           HB1      PRO  32 -23.825  -0.999   4.847
 1508    HG2  PRO  32           HG2      PRO  32 -23.648  -0.987   2.176
 1509    HG3  PRO  32           HG1      PRO  32 -23.837   0.512   3.102
 1510    HD2  PRO  32           HD2      PRO  32 -21.475  -0.522   1.658
 1511    HD3  PRO  32           HD1      PRO  32 -21.886   1.147   2.104
 1512    H    GLN  33           HN       GLN  33 -21.338  -0.333   7.293
 1513    HA   GLN  33           HA       GLN  33 -19.133  -1.891   7.707
 1514    HB2  GLN  33           HB2      GLN  33 -20.188  -0.491   9.427
 1515    HB3  GLN  33           HB1      GLN  33 -21.508  -1.643   9.556
 1516    HG2  GLN  33           HG2      GLN  33 -19.952  -3.351  10.332
 1517    HG3  GLN  33           HG1      GLN  33 -18.620  -2.204  10.190
 1518   HE21  GLN  33          HE21      GLN  33 -18.121  -2.353  12.370
 1519   HE22  GLN  33          HE22      GLN  33 -19.111  -1.643  13.596
 1520    HA   PRO  34           HA       PRO  34 -22.120  -5.771   8.393
 1521    HB2  PRO  34           HB2      PRO  34 -24.007  -5.114   6.186
 1522    HB3  PRO  34           HB1      PRO  34 -24.315  -5.917   7.729
 1523    HG2  PRO  34           HG2      PRO  34 -25.064  -3.398   7.360
 1524    HG3  PRO  34           HG1      PRO  34 -24.368  -3.914   8.909
 1525    HD2  PRO  34           HD2      PRO  34 -23.098  -2.384   6.673
 1526    HD3  PRO  34           HD1      PRO  34 -22.928  -2.167   8.428
 1527    H    LEU  35           HN       LEU  35 -21.405  -4.202   5.321
 1528    HA   LEU  35           HA       LEU  35 -21.134  -6.661   3.856
 1529    HB2  LEU  35           HB2      LEU  35 -20.957  -3.773   3.298
 1530    HB3  LEU  35           HB1      LEU  35 -19.891  -4.774   2.337
 1531    HG   LEU  35           HG       LEU  35 -22.731  -5.602   2.515
 1532   HD11  LEU  35          HD11      LEU  35 -22.881  -3.177   2.187
 1533   HD12  LEU  35          HD12      LEU  35 -23.386  -4.063   0.748
 1534   HD13  LEU  35          HD13      LEU  35 -21.795  -3.302   0.802
 1535   HD21  LEU  35          HD21      LEU  35 -20.690  -5.531   0.292
 1536   HD22  LEU  35          HD22      LEU  35 -22.307  -6.228   0.182
 1537   HD23  LEU  35          HD23      LEU  35 -21.115  -6.935   1.272
 1538    H    VAL  36           HN       VAL  36 -19.017  -4.430   5.532
 1539    HA   VAL  36           HA       VAL  36 -16.591  -5.558   4.484
 1540    HB   VAL  36           HB       VAL  36 -17.115  -3.748   6.848
 1541   HG11  VAL  36          HG11      VAL  36 -14.479  -4.837   5.862
 1542   HG12  VAL  36          HG12      VAL  36 -15.209  -5.090   7.448
 1543   HG13  VAL  36          HG13      VAL  36 -14.644  -3.485   6.983
 1544   HG21  VAL  36          HG21      VAL  36 -17.358  -2.725   4.648
 1545   HG22  VAL  36          HG22      VAL  36 -15.746  -3.284   4.198
 1546   HG23  VAL  36          HG23      VAL  36 -15.939  -2.089   5.481
 1547    H    ASP  37           HN       ASP  37 -18.542  -6.043   7.378
 1548    HA   ASP  37           HA       ASP  37 -16.810  -7.816   8.693
 1549    HB2  ASP  37           HB2      ASP  37 -18.765  -6.865   9.812
 1550    HB3  ASP  37           HB1      ASP  37 -19.838  -7.717   8.706
 1551    H    SER  38           HN       SER  38 -19.429  -8.397   6.329
 1552    HA   SER  38           HA       SER  38 -19.238 -11.177   6.282
 1553    HB2  SER  38           HB2      SER  38 -20.024  -9.299   4.043
 1554    HB3  SER  38           HB1      SER  38 -20.342 -11.033   4.073
 1555    HG   SER  38           HG       SER  38 -22.160 -10.001   4.821
 1556    H    TYR  39           HN       TYR  39 -17.528  -8.757   4.308
 1557    HA   TYR  39           HA       TYR  39 -16.163 -10.562   2.649
 1558    HB2  TYR  39           HB2      TYR  39 -16.073  -8.362   1.898
 1559    HB3  TYR  39           HB1      TYR  39 -15.687  -7.726   3.494
 1560    HD1  TYR  39           HD2      TYR  39 -14.299  -9.545   0.590
 1561    HD2  TYR  39           HD1      TYR  39 -13.437  -7.468   4.198
 1562    HE1  TYR  39           HE2      TYR  39 -11.914  -9.523   0.001
 1563    HE2  TYR  39           HE1      TYR  39 -11.053  -7.445   3.630
 1564    HH   TYR  39           HH       TYR  39  -9.477  -8.695   2.227
 1565    H    ARG  40           HN       ARG  40 -15.224  -9.050   5.711
 1566    HA   ARG  40           HA       ARG  40 -12.641 -10.067   5.910
 1567    HB2  ARG  40           HB2      ARG  40 -14.671  -9.276   7.983
 1568    HB3  ARG  40           HB1      ARG  40 -13.081  -9.873   8.440
 1569    HG2  ARG  40           HG2      ARG  40 -12.023  -8.061   7.235
 1570    HG3  ARG  40           HG1      ARG  40 -13.599  -7.481   6.691
 1571    HD2  ARG  40           HD2      ARG  40 -14.245  -7.114   9.040
 1572    HD3  ARG  40           HD1      ARG  40 -12.639  -7.636   9.547
 1573    HE   ARG  40           HE       ARG  40 -12.398  -5.533   7.692
 1574   HH11  ARG  40          HH11      ARG  40 -13.407  -6.131  10.975
 1575   HH12  ARG  40          HH12      ARG  40 -13.013  -4.536  11.521
 1576   HH21  ARG  40          HH21      ARG  40 -11.876  -3.433   8.405
 1577   HH22  ARG  40          HH22      ARG  40 -12.143  -3.002  10.061
 1578    H    GLN  41           HN       GLN  41 -15.731 -11.546   6.634
 1579    HA   GLN  41           HA       GLN  41 -14.709 -13.868   7.936
 1580    HB2  GLN  41           HB2      GLN  41 -17.065 -13.096   8.109
 1581    HB3  GLN  41           HB1      GLN  41 -17.300 -13.520   6.419
 1582    HG2  GLN  41           HG2      GLN  41 -18.175 -15.314   7.624
 1583    HG3  GLN  41           HG1      GLN  41 -16.596 -15.862   7.063
 1584   HE21  GLN  41          HE21      GLN  41 -18.489 -14.900   9.807
 1585   HE22  GLN  41          HE22      GLN  41 -17.390 -15.457  11.018
 1586    H    GLN  42           HN       GLN  42 -15.805 -13.255   4.602
 1587    HA   GLN  42           HA       GLN  42 -15.184 -15.810   3.610
 1588    HB2  GLN  42           HB2      GLN  42 -16.647 -14.239   2.424
 1589    HB3  GLN  42           HB1      GLN  42 -15.280 -13.166   2.149
 1590    HG2  GLN  42           HG2      GLN  42 -14.268 -14.669   0.650
 1591    HG3  GLN  42           HG1      GLN  42 -15.322 -15.991   1.141
 1592   HE21  GLN  42          HE21      GLN  42 -16.426 -12.717   0.508
 1593   HE22  GLN  42          HE22      GLN  42 -17.329 -13.100  -0.912
 1594    H    GLN  43           HN       GLN  43 -13.229 -13.037   4.278
 1595    HA   GLN  43           HA       GLN  43 -10.967 -13.987   2.738
 1596    HB2  GLN  43           HB2      GLN  43 -11.448 -11.559   2.984
 1597    HB3  GLN  43           HB1      GLN  43 -11.133 -11.697   4.708
 1598    HG2  GLN  43           HG2      GLN  43  -9.225 -10.775   3.504
 1599    HG3  GLN  43           HG1      GLN  43  -8.833 -12.315   4.268
 1600   HE21  GLN  43          HE21      GLN  43  -8.444 -14.113   2.993
 1601   HE22  GLN  43          HE22      GLN  43  -8.161 -14.001   1.293
 1602    H    GLN  44           HN       GLN  44 -12.109 -13.976   6.035
 1603    HA   GLN  44           HA       GLN  44  -9.686 -14.739   7.286
 1604    HB2  GLN  44           HB2      GLN  44 -12.039 -13.904   8.246
 1605    HB3  GLN  44           HB1      GLN  44 -12.286 -15.635   8.428
 1606    HG2  GLN  44           HG2      GLN  44 -11.430 -14.682  10.471
 1607    HG3  GLN  44           HG1      GLN  44 -10.246 -15.782   9.765
 1608   HE21  GLN  44          HE21      GLN  44  -8.357 -14.942   8.868
 1609   HE22  GLN  44          HE22      GLN  44  -7.815 -13.337   9.209
 1610    H    LEU  45           HN       LEU  45 -12.060 -16.404   5.448
 1611    HA   LEU  45           HA       LEU  45 -11.798 -19.031   6.320
 1612    HB2  LEU  45           HB2      LEU  45 -13.462 -18.823   4.764
 1613    HB3  LEU  45           HB1      LEU  45 -12.556 -17.687   3.787
 1614    HG   LEU  45           HG       LEU  45 -11.106 -19.820   3.223
 1615   HD11  LEU  45          HD11      LEU  45 -12.241 -21.314   4.766
 1616   HD12  LEU  45          HD12      LEU  45 -12.478 -21.838   3.099
 1617   HD13  LEU  45          HD13      LEU  45 -13.776 -21.007   3.955
 1618   HD21  LEU  45          HD21      LEU  45 -13.804 -19.172   2.054
 1619   HD22  LEU  45          HD22      LEU  45 -12.623 -20.241   1.297
 1620   HD23  LEU  45          HD23      LEU  45 -12.234 -18.539   1.552
 1621    H    LEU  46           HN       LEU  46  -9.951 -17.306   3.833
 1622    HA   LEU  46           HA       LEU  46  -7.740 -19.192   4.248
 1623    HB2  LEU  46           HB2      LEU  46  -8.774 -19.906   2.220
 1624    HB3  LEU  46           HB1      LEU  46  -8.897 -18.263   1.629
 1625    HG   LEU  46           HG       LEU  46  -6.440 -18.167   1.413
 1626   HD11  LEU  46          HD11      LEU  46  -5.856 -19.753   3.159
 1627   HD12  LEU  46          HD12      LEU  46  -5.130 -20.212   1.620
 1628   HD13  LEU  46          HD13      LEU  46  -6.554 -21.067   2.213
 1629   HD21  LEU  46          HD21      LEU  46  -6.261 -19.663  -0.506
 1630   HD22  LEU  46          HD22      LEU  46  -7.816 -18.830  -0.494
 1631   HD23  LEU  46          HD23      LEU  46  -7.714 -20.516   0.014
 1632    H    GLN  47           HN       GLN  47  -6.766 -17.618   5.560
 1633    HA   GLN  47           HA       GLN  47  -6.103 -15.035   4.401
 1634    HB2  GLN  47           HB2      GLN  47  -6.717 -15.661   6.910
 1635    HB3  GLN  47           HB1      GLN  47  -4.988 -15.954   7.012
 1636    HG2  GLN  47           HG2      GLN  47  -6.132 -13.378   5.986
 1637    HG3  GLN  47           HG1      GLN  47  -5.798 -13.663   7.694
 1638   HE21  GLN  47          HE21      GLN  47  -4.429 -13.186   4.540
 1639   HE22  GLN  47          HE22      GLN  47  -2.804 -12.915   5.062
 1640    H    ARG  48           HN       ARG  48  -5.025 -16.935   2.852
 1641    HA   ARG  48           HA       ARG  48  -2.157 -16.642   3.379
 1642    HB2  ARG  48           HB2      ARG  48  -3.473 -19.218   2.495
 1643    HB3  ARG  48           HB1      ARG  48  -1.742 -18.951   2.644
 1644    HG2  ARG  48           HG2      ARG  48  -1.946 -18.662   5.023
 1645    HG3  ARG  48           HG1      ARG  48  -3.703 -18.788   4.915
 1646    HD2  ARG  48           HD2      ARG  48  -2.651 -20.882   5.674
 1647    HD3  ARG  48           HD1      ARG  48  -3.528 -21.077   4.157
 1648    HE   ARG  48           HE       ARG  48  -0.748 -20.514   3.769
 1649   HH11  ARG  48          HH11      ARG  48  -3.059 -23.034   4.444
 1650   HH12  ARG  48          HH12      ARG  48  -2.064 -24.296   3.798
 1651   HH21  ARG  48          HH21      ARG  48   0.567 -22.168   2.916
 1652   HH22  ARG  48          HH22      ARG  48  -0.003 -23.804   2.929
  Start of MODEL   11
    1    H    ASP   1           HT1      ASP   1  -5.225  16.130  16.394
    2    HA   ASP   1           HA       ASP   1  -6.354  15.752  14.299
    3    HB2  ASP   1           HB2      ASP   1  -3.343  15.470  14.149
    4    HB3  ASP   1           HB1      ASP   1  -4.383  16.010  12.834
    5    H    GLU   2           HN       GLU   2  -6.962  14.408  12.676
    6    HA   GLU   2           HA       GLU   2  -5.611  11.999  12.008
    7    HB2  GLU   2           HB2      GLU   2  -7.192  10.369  12.818
    8    HB3  GLU   2           HB1      GLU   2  -6.624  11.323  14.180
    9    HG2  GLU   2           HG2      GLU   2  -9.242  11.728  12.749
   10    HG3  GLU   2           HG1      GLU   2  -9.032  10.863  14.271
   11    H    ASP   3           HN       ASP   3  -7.219  14.478  11.064
   12    HA   ASP   3           HA       ASP   3  -9.267  13.284   9.421
   13    HB2  ASP   3           HB2      ASP   3  -8.155  16.098   9.389
   14    HB3  ASP   3           HB1      ASP   3  -9.612  15.555   8.563
   15    H    THR   4           HN       THR   4  -8.513  15.238   7.164
   16    HA   THR   4           HA       THR   4  -7.061  13.315   5.648
   17    HB   THR   4           HB       THR   4  -7.152  15.999   4.508
   18    HG1  THR   4           HG1      THR   4  -9.449  15.919   4.238
   19   HG21  THR   4          HG21      THR   4  -6.627  14.090   3.133
   20   HG22  THR   4          HG22      THR   4  -8.191  14.734   2.628
   21   HG23  THR   4          HG23      THR   4  -8.116  13.281   3.629
   22    H    TYR   5           HN       TYR   5  -5.060  13.366   4.870
   23    HA   TYR   5           HA       TYR   5  -3.162  15.207   6.165
   24    HB2  TYR   5           HB2      TYR   5  -3.041  12.243   5.791
   25    HB3  TYR   5           HB1      TYR   5  -1.601  13.215   6.090
   26    HD1  TYR   5           HD1      TYR   5  -1.515  14.614   8.198
   27    HD2  TYR   5           HD2      TYR   5  -4.438  11.591   7.561
   28    HE1  TYR   5           HE1      TYR   5  -1.952  14.537  10.614
   29    HE2  TYR   5           HE2      TYR   5  -4.882  11.503   9.977
   30    HH   TYR   5           HH       TYR   5  -3.970  12.102  12.045
   31    H    TYR   6           HN       TYR   6  -1.095  15.420   4.848
   32    HA   TYR   6           HA       TYR   6  -1.584  14.735   2.036
   33    HB2  TYR   6           HB2      TYR   6   0.322  16.882   3.004
   34    HB3  TYR   6           HB1      TYR   6  -0.291  16.645   1.373
   35    HD1  TYR   6           HD2      TYR   6  -3.211  16.192   2.170
   36    HD2  TYR   6           HD1      TYR   6  -0.370  19.146   3.305
   37    HE1  TYR   6           HE2      TYR   6  -5.042  17.762   2.609
   38    HE2  TYR   6           HE1      TYR   6  -2.196  20.732   3.757
   39    HH   TYR   6           HH       TYR   6  -5.450  19.785   3.951
   40    H    LEU   7           HN       LEU   7  -0.309  13.391   1.051
   41    HA   LEU   7           HA       LEU   7   2.109  12.433   2.447
   42    HB2  LEU   7           HB2      LEU   7  -0.184  11.128   1.653
   43    HB3  LEU   7           HB1      LEU   7   0.905  10.813   0.333
   44    HG   LEU   7           HG       LEU   7   2.111   9.319   1.508
   45   HD11  LEU   7          HD11      LEU   7   1.963  11.252   3.664
   46   HD12  LEU   7          HD12      LEU   7   3.246  10.124   3.235
   47   HD13  LEU   7          HD13      LEU   7   1.880   9.578   4.214
   48   HD21  LEU   7          HD21      LEU   7   0.693   7.947   2.788
   49   HD22  LEU   7          HD22      LEU   7  -0.330   8.771   1.606
   50   HD23  LEU   7          HD23      LEU   7  -0.298   9.320   3.282
   51    H    GLN   8           HN       GLN   8   3.836  13.476   1.477
   52    HA   GLN   8           HA       GLN   8   3.796  13.957  -1.310
   53    HB2  GLN   8           HB2      GLN   8   5.090  15.083   0.777
   54    HB3  GLN   8           HB1      GLN   8   6.369  14.080   0.118
   55    HG2  GLN   8           HG2      GLN   8   5.683  15.171  -2.129
   56    HG3  GLN   8           HG1      GLN   8   4.981  16.403  -1.082
   57   HE21  GLN   8          HE21      GLN   8   6.399  17.987  -1.632
   58   HE22  GLN   8          HE22      GLN   8   8.068  17.962  -1.196
   59    H    VAL   9           HN       VAL   9   4.088  12.493  -2.780
   60    HA   VAL   9           HA       VAL   9   5.938  10.318  -2.175
   61    HB   VAL   9           HB       VAL   9   3.325  10.225  -3.672
   62   HG11  VAL   9          HG11      VAL   9   3.838   7.858  -4.188
   63   HG12  VAL   9          HG12      VAL   9   5.497   8.147  -3.663
   64   HG13  VAL   9          HG13      VAL   9   4.846   9.016  -5.053
   65   HG21  VAL   9          HG21      VAL   9   2.718   8.544  -2.070
   66   HG22  VAL   9          HG22      VAL   9   3.315   9.965  -1.214
   67   HG23  VAL   9          HG23      VAL   9   4.346   8.546  -1.394
   68    H    ARG  10           HN       ARG  10   7.599  10.034  -3.564
   69    HA   ARG  10           HA       ARG  10   7.635  11.806  -5.905
   70    HB2  ARG  10           HB2      ARG  10   9.472  11.894  -4.111
   71    HB3  ARG  10           HB1      ARG  10  10.011  10.346  -4.744
   72    HG2  ARG  10           HG2      ARG  10   9.676  12.678  -6.581
   73    HG3  ARG  10           HG1      ARG  10  11.118  12.535  -5.574
   74    HD2  ARG  10           HD2      ARG  10  11.526  10.298  -6.528
   75    HD3  ARG  10           HD1      ARG  10  10.121  10.505  -7.571
   76    HE   ARG  10           HE       ARG  10  11.793  12.677  -8.010
   77   HH11  ARG  10          HH11      ARG  10  11.875   9.217  -8.412
   78   HH12  ARG  10          HH12      ARG  10  12.956   9.270  -9.764
   79   HH21  ARG  10          HH21      ARG  10  13.217  12.757  -9.788
   80   HH22  ARG  10          HH22      ARG  10  13.720  11.283 -10.545
   81    H    GLY  11           HN       GLY  11   7.870  11.093  -7.921
   82    HA2  GLY  11           HA2      GLY  11   8.367   9.500  -9.602
   83    HA3  GLY  11           HA1      GLY  11   8.394   8.243  -8.372
   84    H    ARG  12           HN       ARG  12   6.763   9.212 -10.979
   85    HA   ARG  12           HA       ARG  12   4.071   9.248 -10.343
   86    HB2  ARG  12           HB2      ARG  12   5.234   9.584 -12.620
   87    HB3  ARG  12           HB1      ARG  12   5.109   7.839 -12.790
   88    HG2  ARG  12           HG2      ARG  12   3.249   8.739 -13.908
   89    HG3  ARG  12           HG1      ARG  12   2.635   8.100 -12.383
   90    HD2  ARG  12           HD2      ARG  12   2.782  10.391 -11.433
   91    HD3  ARG  12           HD1      ARG  12   3.239  10.981 -13.031
   92    HE   ARG  12           HE       ARG  12   0.715   9.528 -12.764
   93   HH11  ARG  12          HH11      ARG  12   2.394  12.546 -13.239
   94   HH12  ARG  12          HH12      ARG  12   0.987  13.387 -13.796
   95   HH21  ARG  12          HH21      ARG  12  -1.138  10.628 -13.501
   96   HH22  ARG  12          HH22      ARG  12  -1.020  12.298 -13.945
   97    H    GLU  13           HN       GLU  13   6.012   6.322 -11.075
   98    HA   GLU  13           HA       GLU  13   3.969   4.485 -10.902
   99    HB2  GLU  13           HB2      GLU  13   6.224   3.909 -11.640
  100    HB3  GLU  13           HB1      GLU  13   6.840   4.158 -10.013
  101    HG2  GLU  13           HG2      GLU  13   5.538   2.286  -9.202
  102    HG3  GLU  13           HG1      GLU  13   4.831   2.060 -10.801
  103    H    ASN  14           HN       ASN  14   5.957   5.763  -8.257
  104    HA   ASN  14           HA       ASN  14   4.835   4.193  -6.181
  105    HB2  ASN  14           HB2      ASN  14   6.114   6.931  -6.011
  106    HB3  ASN  14           HB1      ASN  14   5.892   5.798  -4.682
  107   HD21  ASN  14          HD21      ASN  14   8.153   5.925  -4.331
  108   HD22  ASN  14          HD22      ASN  14   9.250   5.025  -5.317
  109    H    PHE  15           HN       PHE  15   4.153   7.455  -7.375
  110    HA   PHE  15           HA       PHE  15   2.211   8.199  -5.531
  111    HB2  PHE  15           HB2      PHE  15   3.290   9.711  -7.175
  112    HB3  PHE  15           HB1      PHE  15   2.339   8.962  -8.452
  113    HD1  PHE  15           HD2      PHE  15   1.288   9.942  -5.017
  114    HD2  PHE  15           HD1      PHE  15   0.955  10.659  -9.207
  115    HE1  PHE  15           HE2      PHE  15  -0.519  11.537  -4.594
  116    HE2  PHE  15           HE1      PHE  15  -0.884  12.254  -8.775
  117    HZ   PHE  15           HZ       PHE  15  -1.611  12.688  -6.459
  118    H    GLU  16           HN       GLU  16   1.837   6.519  -8.634
  119    HA   GLU  16           HA       GLU  16  -0.993   6.351  -8.608
  120    HB2  GLU  16           HB2      GLU  16   1.075   4.601  -9.950
  121    HB3  GLU  16           HB1      GLU  16  -0.654   4.525 -10.263
  122    HG2  GLU  16           HG2      GLU  16   1.095   6.929 -10.727
  123    HG3  GLU  16           HG1      GLU  16   0.553   5.800 -11.967
  124    H    ILE  17           HN       ILE  17   1.466   4.009  -7.446
  125    HA   ILE  17           HA       ILE  17  -0.441   2.044  -6.764
  126    HB   ILE  17           HB       ILE  17   2.403   2.506  -6.176
  127   HG12  ILE  17          HG12      ILE  17   0.993  -0.114  -6.573
  128   HG13  ILE  17          HG11      ILE  17   1.246   0.979  -7.928
  129   HG21  ILE  17          HG21      ILE  17   1.583   2.236  -3.893
  130   HG22  ILE  17          HG22      ILE  17   2.512   0.822  -4.399
  131   HG23  ILE  17          HG23      ILE  17   0.748   0.753  -4.363
  132   HD11  ILE  17          HD11      ILE  17   3.629   0.850  -7.643
  133   HD12  ILE  17          HD12      ILE  17   2.958  -0.783  -7.732
  134   HD13  ILE  17          HD13      ILE  17   3.436  -0.108  -6.172
  135    H    LEU  18           HN       LEU  18   0.937   4.748  -4.894
  136    HA   LEU  18           HA       LEU  18  -0.379   4.007  -2.460
  137    HB2  LEU  18           HB2      LEU  18   1.199   6.348  -3.438
  138    HB3  LEU  18           HB1      LEU  18   0.260   6.482  -1.963
  139    HG   LEU  18           HG       LEU  18   1.912   4.093  -1.974
  140   HD11  LEU  18          HD11      LEU  18   4.048   5.306  -1.679
  141   HD12  LEU  18          HD12      LEU  18   3.257   6.772  -2.251
  142   HD13  LEU  18          HD13      LEU  18   3.424   5.386  -3.325
  143   HD21  LEU  18          HD21      LEU  18   0.871   4.911   0.022
  144   HD22  LEU  18          HD22      LEU  18   1.625   6.493  -0.176
  145   HD23  LEU  18          HD23      LEU  18   2.617   5.083   0.197
  146    H    MET  19           HN       MET  19  -0.962   6.310  -5.089
  147    HA   MET  19           HA       MET  19  -3.141   7.626  -3.927
  148    HB2  MET  19           HB2      MET  19  -1.809   8.111  -6.168
  149    HB3  MET  19           HB1      MET  19  -3.082   7.145  -6.894
  150    HG2  MET  19           HG2      MET  19  -3.313   9.780  -5.483
  151    HG3  MET  19           HG1      MET  19  -3.714   9.382  -7.148
  152    HE1  MET  19           HE1      MET  19  -6.047  10.954  -6.117
  153    HE2  MET  19           HE2      MET  19  -5.209  10.818  -4.571
  154    HE3  MET  19           HE3      MET  19  -6.895  10.324  -4.704
  155    H    LYS  20           HN       LYS  20  -3.083   4.836  -6.098
  156    HA   LYS  20           HA       LYS  20  -5.820   4.318  -6.206
  157    HB2  LYS  20           HB2      LYS  20  -3.682   3.203  -7.333
  158    HB3  LYS  20           HB1      LYS  20  -3.916   2.045  -6.031
  159    HG2  LYS  20           HG2      LYS  20  -6.174   2.833  -7.833
  160    HG3  LYS  20           HG1      LYS  20  -5.021   1.577  -8.291
  161    HD2  LYS  20           HD2      LYS  20  -5.547   0.434  -6.124
  162    HD3  LYS  20           HD1      LYS  20  -6.837   1.614  -5.886
  163    HE2  LYS  20           HE2      LYS  20  -6.616  -0.151  -8.315
  164    HE3  LYS  20           HE1      LYS  20  -7.552  -0.577  -6.884
  165    HZ1  LYS  20           HZ1      LYS  20  -8.886   1.412  -7.209
  166    HZ2  LYS  20           HZ2      LYS  20  -8.940   0.431  -8.585
  167    HZ3  LYS  20           HZ3      LYS  20  -7.983   1.825  -8.579
  168    H    LEU  21           HN       LEU  21  -3.372   3.471  -3.825
  169    HA   LEU  21           HA       LEU  21  -5.106   1.859  -2.257
  170    HB2  LEU  21           HB2      LEU  21  -2.893   1.329  -1.900
  171    HB3  LEU  21           HB1      LEU  21  -2.376   3.003  -1.911
  172    HG   LEU  21           HG       LEU  21  -3.189   3.329   0.342
  173   HD11  LEU  21          HD11      LEU  21  -3.822   0.816   1.311
  174   HD12  LEU  21          HD12      LEU  21  -4.695   0.930  -0.217
  175   HD13  LEU  21          HD13      LEU  21  -4.937   2.152   1.028
  176   HD21  LEU  21          HD21      LEU  21  -0.962   2.476   0.184
  177   HD22  LEU  21          HD22      LEU  21  -1.557   0.827   0.003
  178   HD23  LEU  21          HD23      LEU  21  -1.765   1.674   1.534
  179    H    LYS  22           HN       LYS  22  -4.112   5.256  -2.013
  180    HA   LYS  22           HA       LYS  22  -5.249   5.890   0.422
  181    HB2  LYS  22           HB2      LYS  22  -3.943   7.579  -0.506
  182    HB3  LYS  22           HB1      LYS  22  -4.680   7.418  -2.092
  183    HG2  LYS  22           HG2      LYS  22  -6.462   8.346   0.063
  184    HG3  LYS  22           HG1      LYS  22  -5.169   9.449  -0.409
  185    HD2  LYS  22           HD2      LYS  22  -5.922   9.066  -2.807
  186    HD3  LYS  22           HD1      LYS  22  -7.359   8.303  -2.123
  187    HE2  LYS  22           HE2      LYS  22  -6.432  11.129  -1.605
  188    HE3  LYS  22           HE1      LYS  22  -7.765  10.653  -2.657
  189    HZ1  LYS  22           HZ1      LYS  22  -7.615  10.265   0.282
  190    HZ2  LYS  22           HZ2      LYS  22  -8.865   9.687  -0.698
  191    HZ3  LYS  22           HZ3      LYS  22  -8.617  11.352  -0.541
  192    H    GLU  23           HN       GLU  23  -6.650   5.671  -2.784
  193    HA   GLU  23           HA       GLU  23  -9.253   6.540  -2.055
  194    HB2  GLU  23           HB2      GLU  23  -8.873   6.672  -4.348
  195    HB3  GLU  23           HB1      GLU  23  -8.039   5.129  -4.401
  196    HG2  GLU  23           HG2      GLU  23 -10.083   3.929  -4.275
  197    HG3  GLU  23           HG1      GLU  23 -10.992   5.402  -3.939
  198    H    SER  24           HN       SER  24  -7.810   3.291  -2.365
  199    HA   SER  24           HA       SER  24 -10.121   1.919  -1.698
  200    HB2  SER  24           HB2      SER  24  -8.744   0.002  -1.211
  201    HB3  SER  24           HB1      SER  24  -8.044   0.859  -2.584
  202    HG   SER  24           HG       SER  24  -6.302   0.750  -1.399
  203    H    LEU  25           HN       LEU  25  -7.531   3.060   0.478
  204    HA   LEU  25           HA       LEU  25  -8.631   2.053   2.892
  205    HB2  LEU  25           HB2      LEU  25  -6.576   4.074   2.153
  206    HB3  LEU  25           HB1      LEU  25  -7.215   4.110   3.783
  207    HG   LEU  25           HG       LEU  25  -5.996   1.642   2.552
  208   HD11  LEU  25          HD11      LEU  25  -4.717   3.771   4.257
  209   HD12  LEU  25          HD12      LEU  25  -4.287   3.330   2.604
  210   HD13  LEU  25          HD13      LEU  25  -4.008   2.192   3.920
  211   HD21  LEU  25          HD21      LEU  25  -5.793   0.936   4.890
  212   HD22  LEU  25          HD22      LEU  25  -7.476   1.214   4.432
  213   HD23  LEU  25          HD23      LEU  25  -6.611   2.412   5.402
  214    H    GLU  26           HN       GLU  26  -8.928   5.230   1.328
  215    HA   GLU  26           HA       GLU  26 -10.394   6.446   3.399
  216    HB2  GLU  26           HB2      GLU  26  -9.389   7.228   0.918
  217    HB3  GLU  26           HB1      GLU  26 -11.127   7.438   0.770
  218    HG2  GLU  26           HG2      GLU  26  -9.376   8.628   2.909
  219    HG3  GLU  26           HG1      GLU  26 -10.045   9.479   1.518
  220    H    LEU  27           HN       LEU  27 -11.450   4.751   0.479
  221    HA   LEU  27           HA       LEU  27 -14.243   5.116   0.798
  222    HB2  LEU  27           HB2      LEU  27 -12.558   3.111  -0.653
  223    HB3  LEU  27           HB1      LEU  27 -14.308   3.060  -0.667
  224    HG   LEU  27           HG       LEU  27 -12.826   5.508  -1.576
  225   HD11  LEU  27          HD11      LEU  27 -11.939   3.627  -2.849
  226   HD12  LEU  27          HD12      LEU  27 -12.973   4.638  -3.858
  227   HD13  LEU  27          HD13      LEU  27 -13.579   3.104  -3.234
  228   HD21  LEU  27          HD21      LEU  27 -15.540   4.353  -2.228
  229   HD22  LEU  27          HD22      LEU  27 -14.871   5.848  -2.886
  230   HD23  LEU  27          HD23      LEU  27 -15.225   5.725  -1.163
  231    H    MET  28           HN       MET  28 -12.058   2.734   2.329
  232    HA   MET  28           HA       MET  28 -14.004   0.906   2.860
  233    HB2  MET  28           HB2      MET  28 -11.453   1.585   4.199
  234    HB3  MET  28           HB1      MET  28 -12.583   0.667   5.183
  235    HG2  MET  28           HG2      MET  28 -10.854  -0.630   3.851
  236    HG3  MET  28           HG1      MET  28 -12.525  -1.170   3.749
  237    HE1  MET  28           HE1      MET  28 -13.742  -1.521   2.016
  238    HE2  MET  28           HE2      MET  28 -13.429  -1.194   0.312
  239    HE3  MET  28           HE3      MET  28 -14.099   0.067   1.340
  240    H    GLU  29           HN       GLU  29 -14.043   4.059   4.014
  241    HA   GLU  29           HA       GLU  29 -15.646   3.413   6.348
  242    HB2  GLU  29           HB2      GLU  29 -15.499   5.670   6.944
  243    HB3  GLU  29           HB1      GLU  29 -13.928   5.297   6.251
  244    HG2  GLU  29           HG2      GLU  29 -14.515   6.384   4.196
  245    HG3  GLU  29           HG1      GLU  29 -16.171   6.624   4.748
  246    H    LEU  30           HN       LEU  30 -16.134   4.032   3.037
  247    HA   LEU  30           HA       LEU  30 -18.832   5.044   3.477
  248    HB2  LEU  30           HB2      LEU  30 -18.615   6.167   1.571
  249    HB3  LEU  30           HB1      LEU  30 -16.913   5.782   1.688
  250    HG   LEU  30           HG       LEU  30 -18.898   4.130   0.144
  251   HD11  LEU  30          HD11      LEU  30 -16.984   6.245  -0.830
  252   HD12  LEU  30          HD12      LEU  30 -18.741   6.380  -0.791
  253   HD13  LEU  30          HD13      LEU  30 -17.972   5.200  -1.852
  254   HD21  LEU  30          HD21      LEU  30 -15.893   4.160   0.189
  255   HD22  LEU  30          HD22      LEU  30 -16.875   3.240  -0.949
  256   HD23  LEU  30          HD23      LEU  30 -16.943   2.872   0.774
  257    H    VAL  31           HN       VAL  31 -17.411   2.106   3.270
  258    HA   VAL  31           HA       VAL  31 -19.626   0.890   1.793
  259    HB   VAL  31           HB       VAL  31 -17.615  -0.881   3.009
  260   HG11  VAL  31          HG11      VAL  31 -19.249  -0.691   0.571
  261   HG12  VAL  31          HG12      VAL  31 -18.902  -2.075   1.608
  262   HG13  VAL  31          HG13      VAL  31 -17.709  -1.533   0.430
  263   HG21  VAL  31          HG21      VAL  31 -16.850   1.138   0.926
  264   HG22  VAL  31          HG22      VAL  31 -15.989  -0.383   1.139
  265   HG23  VAL  31          HG23      VAL  31 -16.048   0.788   2.455
  266    HA   PRO  32           HA       PRO  32 -21.938   0.397   5.554
  267    HB2  PRO  32           HB2      PRO  32 -22.676  -2.153   4.145
  268    HB3  PRO  32           HB1      PRO  32 -23.717  -1.017   5.013
  269    HG2  PRO  32           HG2      PRO  32 -23.574  -0.992   2.343
  270    HG3  PRO  32           HG1      PRO  32 -23.733   0.508   3.273
  271    HD2  PRO  32           HD2      PRO  32 -21.393  -0.560   1.810
  272    HD3  PRO  32           HD1      PRO  32 -21.790   1.118   2.235
  273    H    GLN  33           HN       GLN  33 -21.122  -0.333   7.429
  274    HA   GLN  33           HA       GLN  33 -18.908  -1.930   7.710
  275    HB2  GLN  33           HB2      GLN  33 -19.582  -0.540   9.518
  276    HB3  GLN  33           HB1      GLN  33 -21.130  -1.359   9.663
  277    HG2  GLN  33           HG2      GLN  33 -19.727  -2.070  11.453
  278    HG3  GLN  33           HG1      GLN  33 -19.925  -3.416  10.329
  279   HE21  GLN  33          HE21      GLN  33 -17.733  -1.043  11.610
  280   HE22  GLN  33          HE22      GLN  33 -16.283  -1.753  10.995
  281    HA   PRO  34           HA       PRO  34 -21.852  -5.716   8.750
  282    HB2  PRO  34           HB2      PRO  34 -24.053  -5.098   6.856
  283    HB3  PRO  34           HB1      PRO  34 -24.123  -5.807   8.473
  284    HG2  PRO  34           HG2      PRO  34 -24.883  -3.289   8.061
  285    HG3  PRO  34           HG1      PRO  34 -23.994  -3.745   9.527
  286    HD2  PRO  34           HD2      PRO  34 -23.005  -2.369   7.060
  287    HD3  PRO  34           HD1      PRO  34 -22.608  -2.057   8.761
  288    H    LEU  35           HN       LEU  35 -21.566  -4.170   5.613
  289    HA   LEU  35           HA       LEU  35 -21.575  -6.635   4.127
  290    HB2  LEU  35           HB2      LEU  35 -22.480  -4.559   3.185
  291    HB3  LEU  35           HB1      LEU  35 -20.911  -3.796   3.332
  292    HG   LEU  35           HG       LEU  35 -20.006  -5.360   1.676
  293   HD11  LEU  35          HD11      LEU  35 -21.477  -7.254   2.065
  294   HD12  LEU  35          HD12      LEU  35 -21.492  -6.773   0.368
  295   HD13  LEU  35          HD13      LEU  35 -22.838  -6.335   1.421
  296   HD21  LEU  35          HD21      LEU  35 -22.461  -3.867   0.789
  297   HD22  LEU  35          HD22      LEU  35 -21.173  -4.436  -0.272
  298   HD23  LEU  35          HD23      LEU  35 -20.834  -3.207   0.947
  299    H    VAL  36           HN       VAL  36 -19.229  -4.421   5.476
  300    HA   VAL  36           HA       VAL  36 -16.953  -5.594   4.148
  301    HB   VAL  36           HB       VAL  36 -17.141  -3.778   6.569
  302   HG11  VAL  36          HG11      VAL  36 -14.688  -3.512   6.337
  303   HG12  VAL  36          HG12      VAL  36 -14.688  -4.822   5.156
  304   HG13  VAL  36          HG13      VAL  36 -15.165  -5.139   6.824
  305   HG21  VAL  36          HG21      VAL  36 -17.731  -2.733   4.438
  306   HG22  VAL  36          HG22      VAL  36 -16.195  -3.262   3.749
  307   HG23  VAL  36          HG23      VAL  36 -16.214  -2.088   5.066
  308    H    ASP  37           HN       ASP  37 -18.614  -6.032   7.223
  309    HA   ASP  37           HA       ASP  37 -16.789  -7.793   8.413
  310    HB2  ASP  37           HB2      ASP  37 -18.700  -6.821   9.630
  311    HB3  ASP  37           HB1      ASP  37 -19.811  -7.764   8.641
  312    H    SER  38           HN       SER  38 -19.524  -8.375   6.182
  313    HA   SER  38           HA       SER  38 -19.363 -11.157   6.128
  314    HB2  SER  38           HB2      SER  38 -20.133  -9.280   3.878
  315    HB3  SER  38           HB1      SER  38 -20.488 -11.006   3.934
  316    HG   SER  38           HG       SER  38 -22.248  -9.709   4.652
  317    H    TYR  39           HN       TYR  39 -17.655  -8.758   4.119
  318    HA   TYR  39           HA       TYR  39 -16.277 -10.585   2.498
  319    HB2  TYR  39           HB2      TYR  39 -16.064  -8.423   1.704
  320    HB3  TYR  39           HB1      TYR  39 -15.828  -7.743   3.312
  321    HD1  TYR  39           HD1      TYR  39 -14.158  -9.714   0.650
  322    HD2  TYR  39           HD2      TYR  39 -13.662  -7.353   4.153
  323    HE1  TYR  39           HE1      TYR  39 -11.729  -9.702   0.293
  324    HE2  TYR  39           HE2      TYR  39 -11.240  -7.337   3.808
  325    HH   TYR  39           HH       TYR  39  -9.529  -8.696   2.663
  326    H    ARG  40           HN       ARG  40 -15.439  -9.129   5.606
  327    HA   ARG  40           HA       ARG  40 -12.875 -10.156   5.906
  328    HB2  ARG  40           HB2      ARG  40 -14.997  -9.548   7.968
  329    HB3  ARG  40           HB1      ARG  40 -13.343  -9.980   8.385
  330    HG2  ARG  40           HG2      ARG  40 -12.534  -8.023   7.150
  331    HG3  ARG  40           HG1      ARG  40 -14.202  -7.586   6.773
  332    HD2  ARG  40           HD2      ARG  40 -14.685  -7.373   9.160
  333    HD3  ARG  40           HD1      ARG  40 -13.022  -7.818   9.539
  334    HE   ARG  40           HE       ARG  40 -13.100  -5.579   7.801
  335   HH11  ARG  40          HH11      ARG  40 -13.590  -6.511  11.123
  336   HH12  ARG  40          HH12      ARG  40 -13.194  -4.947  11.754
  337   HH21  ARG  40          HH21      ARG  40 -12.578  -3.519   8.623
  338   HH22  ARG  40          HH22      ARG  40 -12.621  -3.246  10.333
  339    H    GLN  41           HN       GLN  41 -16.000 -11.666   6.397
  340    HA   GLN  41           HA       GLN  41 -15.052 -14.030   7.668
  341    HB2  GLN  41           HB2      GLN  41 -17.419 -13.384   7.728
  342    HB3  GLN  41           HB1      GLN  41 -17.526 -13.567   5.983
  343    HG2  GLN  41           HG2      GLN  41 -17.120 -15.940   6.172
  344    HG3  GLN  41           HG1      GLN  41 -16.901 -15.788   7.914
  345   HE21  GLN  41          HE21      GLN  41 -18.693 -15.422   9.226
  346   HE22  GLN  41          HE22      GLN  41 -20.307 -15.692   8.671
  347    H    GLN  42           HN       GLN  42 -15.749 -13.179   4.300
  348    HA   GLN  42           HA       GLN  42 -15.053 -15.654   3.156
  349    HB2  GLN  42           HB2      GLN  42 -16.314 -14.045   1.879
  350    HB3  GLN  42           HB1      GLN  42 -15.036 -12.848   2.031
  351    HG2  GLN  42           HG2      GLN  42 -13.582 -14.165   0.630
  352    HG3  GLN  42           HG1      GLN  42 -14.784 -15.452   0.544
  353   HE21  GLN  42          HE21      GLN  42 -14.905 -15.335  -1.692
  354   HE22  GLN  42          HE22      GLN  42 -15.681 -14.026  -2.508
  355    H    GLN  43           HN       GLN  43 -13.210 -13.013   4.359
  356    HA   GLN  43           HA       GLN  43 -10.738 -13.683   3.058
  357    HB2  GLN  43           HB2      GLN  43 -11.176 -11.389   3.704
  358    HB3  GLN  43           HB1      GLN  43 -11.413 -11.865   5.379
  359    HG2  GLN  43           HG2      GLN  43  -9.005 -12.647   5.346
  360    HG3  GLN  43           HG1      GLN  43  -8.862 -11.791   3.811
  361   HE21  GLN  43          HE21      GLN  43  -9.012  -9.541   3.780
  362   HE22  GLN  43          HE22      GLN  43  -8.825  -8.593   5.211
  363    H    GLN  44           HN       GLN  44 -12.106 -14.077   6.301
  364    HA   GLN  44           HA       GLN  44  -9.901 -15.326   7.494
  365    HB2  GLN  44           HB2      GLN  44 -12.855 -15.503   8.086
  366    HB3  GLN  44           HB1      GLN  44 -11.629 -16.274   9.085
  367    HG2  GLN  44           HG2      GLN  44 -11.763 -13.328   8.503
  368    HG3  GLN  44           HG1      GLN  44 -12.389 -14.098   9.960
  369   HE21  GLN  44          HE21      GLN  44  -9.545 -13.177   8.190
  370   HE22  GLN  44          HE22      GLN  44  -8.418 -13.407   9.478
  371    H    LEU  45           HN       LEU  45 -12.209 -16.425   5.223
  372    HA   LEU  45           HA       LEU  45 -12.308 -19.158   5.654
  373    HB2  LEU  45           HB2      LEU  45 -13.725 -18.226   4.007
  374    HB3  LEU  45           HB1      LEU  45 -12.382 -17.499   3.148
  375    HG   LEU  45           HG       LEU  45 -11.703 -20.077   2.868
  376   HD11  LEU  45          HD11      LEU  45 -14.713 -20.089   2.989
  377   HD12  LEU  45          HD12      LEU  45 -13.623 -20.916   4.102
  378   HD13  LEU  45          HD13      LEU  45 -13.697 -21.408   2.410
  379   HD21  LEU  45          HD21      LEU  45 -11.855 -18.595   1.018
  380   HD22  LEU  45          HD22      LEU  45 -13.605 -18.452   1.195
  381   HD23  LEU  45          HD23      LEU  45 -12.895 -19.975   0.661
  382    H    LEU  46           HN       LEU  46  -9.877 -17.267   3.875
  383    HA   LEU  46           HA       LEU  46  -8.123 -19.610   4.016
  384    HB2  LEU  46           HB2      LEU  46  -8.393 -17.740   1.671
  385    HB3  LEU  46           HB1      LEU  46  -7.229 -19.048   1.797
  386    HG   LEU  46           HG       LEU  46 -10.199 -19.505   1.923
  387   HD11  LEU  46          HD11      LEU  46  -9.665 -18.474  -0.222
  388   HD12  LEU  46          HD12      LEU  46 -10.113 -20.168  -0.409
  389   HD13  LEU  46          HD13      LEU  46  -8.418 -19.693  -0.494
  390   HD21  LEU  46          HD21      LEU  46  -7.898 -21.349   1.313
  391   HD22  LEU  46          HD22      LEU  46  -9.602 -21.797   1.399
  392   HD23  LEU  46          HD23      LEU  46  -8.757 -21.259   2.851
  393    H    GLN  47           HN       GLN  47  -7.708 -16.249   2.881
  394    HA   GLN  47           HA       GLN  47  -6.120 -14.685   3.393
  395    HB2  GLN  47           HB2      GLN  47  -7.335 -15.184   5.687
  396    HB3  GLN  47           HB1      GLN  47  -5.780 -15.882   6.115
  397    HG2  GLN  47           HG2      GLN  47  -6.247 -13.054   5.201
  398    HG3  GLN  47           HG1      GLN  47  -5.976 -13.574   6.862
  399   HE21  GLN  47          HE21      GLN  47  -4.538 -13.027   3.754
  400   HE22  GLN  47          HE22      GLN  47  -2.892 -13.126   4.270
  401    H    ARG  48           HN       ARG  48  -5.086 -16.657   1.949
  402    HA   ARG  48           HA       ARG  48  -2.356 -16.751   2.843
  403    HB2  ARG  48           HB2      ARG  48  -2.241 -19.275   2.504
  404    HB3  ARG  48           HB1      ARG  48  -2.985 -18.707   3.991
  405    HG2  ARG  48           HG2      ARG  48  -5.191 -19.077   3.047
  406    HG3  ARG  48           HG1      ARG  48  -4.462 -19.611   1.532
  407    HD2  ARG  48           HD2      ARG  48  -3.382 -21.464   2.707
  408    HD3  ARG  48           HD1      ARG  48  -4.107 -20.927   4.222
  409    HE   ARG  48           HE       ARG  48  -6.156 -21.323   2.364
  410   HH11  ARG  48          HH11      ARG  48  -3.786 -23.174   4.122
  411   HH12  ARG  48          HH12      ARG  48  -4.751 -24.611   4.167
  412   HH21  ARG  48          HH21      ARG  48  -7.435 -23.211   2.416
  413   HH22  ARG  48          HH22      ARG  48  -6.825 -24.633   3.194
  414    H    ASP   1           HT1      ASP   1   5.211  16.131 -16.392
  415    HA   ASP   1           HA       ASP   1   6.340  15.753 -14.298
  416    HB2  ASP   1           HB2      ASP   1   3.330  15.468 -14.146
  417    HB3  ASP   1           HB1      ASP   1   4.369  16.009 -12.832
  418    H    GLU   2           HN       GLU   2   6.949  14.410 -12.674
  419    HA   GLU   2           HA       GLU   2   5.601  12.000 -12.006
  420    HB2  GLU   2           HB2      GLU   2   7.182  10.372 -12.816
  421    HB3  GLU   2           HB1      GLU   2   6.614  11.325 -14.178
  422    HG2  GLU   2           HG2      GLU   2   9.232  11.731 -12.749
  423    HG3  GLU   2           HG1      GLU   2   9.022  10.867 -14.270
  424    H    ASP   3           HN       ASP   3   7.206  14.481 -11.063
  425    HA   ASP   3           HA       ASP   3   9.256  13.289  -9.420
  426    HB2  ASP   3           HB2      ASP   3   8.141  16.102  -9.388
  427    HB3  ASP   3           HB1      ASP   3   9.599  15.560  -8.563
  428    H    THR   4           HN       THR   4   8.500  15.242  -7.163
  429    HA   THR   4           HA       THR   4   7.050  13.317  -5.647
  430    HB   THR   4           HB       THR   4   7.140  16.002  -4.508
  431    HG1  THR   4           HG1      THR   4   9.436  15.924  -4.237
  432   HG21  THR   4          HG21      THR   4   6.615  14.094  -3.131
  433   HG22  THR   4          HG22      THR   4   8.179  14.739  -2.627
  434   HG23  THR   4          HG23      THR   4   8.105  13.285  -3.626
  435    H    TYR   5           HN       TYR   5   5.049  13.368  -4.868
  436    HA   TYR   5           HA       TYR   5   3.151  15.207  -6.164
  437    HB2  TYR   5           HB2      TYR   5   3.030  12.243  -5.789
  438    HB3  TYR   5           HB1      TYR   5   1.590  13.215  -6.088
  439    HD1  TYR   5           HD1      TYR   5   1.502  14.612  -8.195
  440    HD2  TYR   5           HD2      TYR   5   4.427  11.593  -7.560
  441    HE1  TYR   5           HE1      TYR   5   1.939  14.536 -10.612
  442    HE2  TYR   5           HE2      TYR   5   4.872  11.505  -9.975
  443    HH   TYR   5           HH       TYR   5   3.962  12.102 -12.042
  444    H    TYR   6           HN       TYR   6   1.082  15.419  -4.847
  445    HA   TYR   6           HA       TYR   6   1.572  14.735  -2.034
  446    HB2  TYR   6           HB2      TYR   6  -0.335  16.881  -3.002
  447    HB3  TYR   6           HB1      TYR   6   0.279  16.644  -1.371
  448    HD1  TYR   6           HD2      TYR   6   3.199  16.192  -2.169
  449    HD2  TYR   6           HD1      TYR   6   0.355  19.145  -3.303
  450    HE1  TYR   6           HE2      TYR   6   5.028  17.764  -2.608
  451    HE2  TYR   6           HE1      TYR   6   2.180  20.732  -3.756
  452    HH   TYR   6           HH       TYR   6   5.436  19.786  -3.950
  453    H    LEU   7           HN       LEU   7   0.298  13.391  -1.048
  454    HA   LEU   7           HA       LEU   7  -2.120  12.431  -2.445
  455    HB2  LEU   7           HB2      LEU   7   0.174  11.127  -1.650
  456    HB3  LEU   7           HB1      LEU   7  -0.916  10.812  -0.330
  457    HG   LEU   7           HG       LEU   7  -2.119   9.317  -1.505
  458   HD11  LEU   7          HD11      LEU   7  -1.973  11.249  -3.662
  459   HD12  LEU   7          HD12      LEU   7  -3.254  10.120  -3.233
  460   HD13  LEU   7          HD13      LEU   7  -1.888   9.575  -4.211
  461   HD21  LEU   7          HD21      LEU   7  -0.700   7.946  -2.786
  462   HD22  LEU   7          HD22      LEU   7   0.322   8.771  -1.604
  463   HD23  LEU   7          HD23      LEU   7   0.290   9.320  -3.280
  464    H    GLN   8           HN       GLN   8  -3.847  13.472  -1.474
  465    HA   GLN   8           HA       GLN   8  -3.806  13.953   1.313
  466    HB2  GLN   8           HB2      GLN   8  -5.101  15.078  -0.774
  467    HB3  GLN   8           HB1      GLN   8  -6.379  14.074  -0.115
  468    HG2  GLN   8           HG2      GLN   8  -5.694  15.167   2.132
  469    HG3  GLN   8           HG1      GLN   8  -4.991  16.399   1.084
  470   HE21  GLN   8          HE21      GLN   8  -6.410  17.983   1.632
  471   HE22  GLN   8          HE22      GLN   8  -8.079  17.957   1.195
  472    H    VAL   9           HN       VAL   9  -4.096  12.489   2.782
  473    HA   VAL   9           HA       VAL   9  -5.946  10.314   2.178
  474    HB   VAL   9           HB       VAL   9  -3.333  10.222   3.675
  475   HG11  VAL   9          HG11      VAL   9  -3.845   7.854   4.192
  476   HG12  VAL   9          HG12      VAL   9  -5.504   8.142   3.667
  477   HG13  VAL   9          HG13      VAL   9  -4.854   9.013   5.057
  478   HG21  VAL   9          HG21      VAL   9  -2.725   8.540   2.074
  479   HG22  VAL   9          HG22      VAL   9  -3.323   9.961   1.217
  480   HG23  VAL   9          HG23      VAL   9  -4.353   8.541   1.398
  481    H    ARG  10           HN       ARG  10  -7.606  10.029   3.568
  482    HA   ARG  10           HA       ARG  10  -7.644  11.801   5.908
  483    HB2  ARG  10           HB2      ARG  10  -9.481  11.887   4.114
  484    HB3  ARG  10           HB1      ARG  10 -10.018  10.339   4.748
  485    HG2  ARG  10           HG2      ARG  10  -9.684  12.670   6.584
  486    HG3  ARG  10           HG1      ARG  10 -11.126  12.527   5.578
  487    HD2  ARG  10           HD2      ARG  10 -11.532  10.289   6.532
  488    HD3  ARG  10           HD1      ARG  10 -10.128  10.498   7.575
  489    HE   ARG  10           HE       ARG  10 -11.802  12.669   8.013
  490   HH11  ARG  10          HH11      ARG  10 -11.881   9.208   8.416
  491   HH12  ARG  10          HH12      ARG  10 -12.961   9.262   9.769
  492   HH21  ARG  10          HH21      ARG  10 -13.225  12.748   9.792
  493   HH22  ARG  10          HH22      ARG  10 -13.727  11.273  10.550
  494    H    GLY  11           HN       GLY  11  -7.880  11.087   7.924
  495    HA2  GLY  11           HA2      GLY  11  -8.374   9.495   9.606
  496    HA3  GLY  11           HA1      GLY  11  -8.401   8.238   8.376
  497    H    ARG  12           HN       ARG  12  -6.769   9.208  10.983
  498    HA   ARG  12           HA       ARG  12  -4.077   9.245  10.346
  499    HB2  ARG  12           HB2      ARG  12  -5.239   9.581  12.624
  500    HB3  ARG  12           HB1      ARG  12  -5.114   7.835  12.793
  501    HG2  ARG  12           HG2      ARG  12  -3.255   8.736  13.911
  502    HG3  ARG  12           HG1      ARG  12  -2.640   8.098  12.385
  503    HD2  ARG  12           HD2      ARG  12  -2.788  10.389  11.436
  504    HD3  ARG  12           HD1      ARG  12  -3.246  10.978  13.034
  505    HE   ARG  12           HE       ARG  12  -0.721   9.527  12.768
  506   HH11  ARG  12          HH11      ARG  12  -2.402  12.543  13.242
  507   HH12  ARG  12          HH12      ARG  12  -0.996  13.386  13.799
  508   HH21  ARG  12          HH21      ARG  12   1.132  10.629  13.504
  509   HH22  ARG  12          HH22      ARG  12   1.012  12.299  13.948
  510    H    GLU  13           HN       GLU  13  -6.015   6.318  11.079
  511    HA   GLU  13           HA       GLU  13  -3.972   4.482  10.906
  512    HB2  GLU  13           HB2      GLU  13  -6.225   3.904  11.644
  513    HB3  GLU  13           HB1      GLU  13  -6.843   4.153  10.018
  514    HG2  GLU  13           HG2      GLU  13  -5.539   2.282   9.205
  515    HG3  GLU  13           HG1      GLU  13  -4.832   2.057  10.805
  516    H    ASN  14           HN       ASN  14  -5.962   5.758   8.261
  517    HA   ASN  14           HA       ASN  14  -4.839   4.188   6.185
  518    HB2  ASN  14           HB2      ASN  14  -6.120   6.926   6.013
  519    HB3  ASN  14           HB1      ASN  14  -5.897   5.792   4.685
  520   HD21  ASN  14          HD21      ASN  14  -8.158   5.918   4.334
  521   HD22  ASN  14          HD22      ASN  14  -9.255   5.019   5.320
  522    H    PHE  15           HN       PHE  15  -4.157   7.451   7.380
  523    HA   PHE  15           HA       PHE  15  -2.217   8.196   5.534
  524    HB2  PHE  15           HB2      PHE  15  -3.297   9.708   7.178
  525    HB3  PHE  15           HB1      PHE  15  -2.346   8.960   8.456
  526    HD1  PHE  15           HD2      PHE  15  -1.296   9.941   5.020
  527    HD2  PHE  15           HD1      PHE  15  -0.963  10.659   9.210
  528    HE1  PHE  15           HE2      PHE  15   0.511  11.536   4.598
  529    HE2  PHE  15           HE1      PHE  15   0.876  12.254   8.777
  530    HZ   PHE  15           HZ       PHE  15   1.604  12.687   6.462
  531    H    GLU  16           HN       GLU  16  -1.841   6.517   8.638
  532    HA   GLU  16           HA       GLU  16   0.989   6.352   8.611
  533    HB2  GLU  16           HB2      GLU  16  -1.077   4.600   9.953
  534    HB3  GLU  16           HB1      GLU  16   0.652   4.525  10.265
  535    HG2  GLU  16           HG2      GLU  16  -1.099   6.928  10.730
  536    HG3  GLU  16           HG1      GLU  16  -0.556   5.799  11.970
  537    H    ILE  17           HN       ILE  17  -1.469   4.007   7.449
  538    HA   ILE  17           HA       ILE  17   0.439   2.043   6.767
  539    HB   ILE  17           HB       ILE  17  -2.405   2.503   6.179
  540   HG12  ILE  17          HG12      ILE  17  -0.993  -0.116   6.576
  541   HG13  ILE  17          HG11      ILE  17  -1.245   0.977   7.931
  542   HG21  ILE  17          HG21      ILE  17  -1.584   2.234   3.896
  543   HG22  ILE  17          HG22      ILE  17  -2.512   0.820   4.402
  544   HG23  ILE  17          HG23      ILE  17  -0.749   0.751   4.366
  545   HD11  ILE  17          HD11      ILE  17  -3.628   0.847   7.647
  546   HD12  ILE  17          HD12      ILE  17  -2.957  -0.785   7.736
  547   HD13  ILE  17          HD13      ILE  17  -3.435  -0.111   6.177
  548    H    LEU  18           HN       LEU  18  -0.940   4.747   4.898
  549    HA   LEU  18           HA       LEU  18   0.376   4.006   2.463
  550    HB2  LEU  18           HB2      LEU  18  -1.205   6.346   3.441
  551    HB3  LEU  18           HB1      LEU  18  -0.267   6.482   1.967
  552    HG   LEU  18           HG       LEU  18  -1.916   4.091   1.978
  553   HD11  LEU  18          HD11      LEU  18  -4.053   5.302   1.683
  554   HD12  LEU  18          HD12      LEU  18  -3.262   6.769   2.254
  555   HD13  LEU  18          HD13      LEU  18  -3.428   5.385   3.329
  556   HD21  LEU  18          HD21      LEU  18  -0.875   4.909  -0.018
  557   HD22  LEU  18          HD22      LEU  18  -1.629   6.490   0.178
  558   HD23  LEU  18          HD23      LEU  18  -2.620   5.080  -0.195
  559    H    MET  19           HN       MET  19   0.957   6.312   5.091
  560    HA   MET  19           HA       MET  19   3.136   7.629   3.929
  561    HB2  MET  19           HB2      MET  19   1.803   8.113   6.170
  562    HB3  MET  19           HB1      MET  19   3.075   7.148   6.896
  563    HG2  MET  19           HG2      MET  19   3.307   9.782   5.485
  564    HG3  MET  19           HG1      MET  19   3.709   9.384   7.151
  565    HE1  MET  19           HE1      MET  19   6.039  10.956   6.119
  566    HE2  MET  19           HE2      MET  19   5.201  10.821   4.573
  567    HE3  MET  19           HE3      MET  19   6.887  10.327   4.706
  568    H    LYS  20           HN       LYS  20   3.079   4.838   6.100
  569    HA   LYS  20           HA       LYS  20   5.817   4.321   6.208
  570    HB2  LYS  20           HB2      LYS  20   3.679   3.205   7.335
  571    HB3  LYS  20           HB1      LYS  20   3.914   2.048   6.033
  572    HG2  LYS  20           HG2      LYS  20   6.171   2.836   7.836
  573    HG3  LYS  20           HG1      LYS  20   5.019   1.579   8.293
  574    HD2  LYS  20           HD2      LYS  20   5.547   0.437   6.126
  575    HD3  LYS  20           HD1      LYS  20   6.836   1.619   5.890
  576    HE2  LYS  20           HE2      LYS  20   6.617  -0.148   8.317
  577    HE3  LYS  20           HE1      LYS  20   7.553  -0.573   6.886
  578    HZ1  LYS  20           HZ1      LYS  20   8.886   1.418   7.212
  579    HZ2  LYS  20           HZ2      LYS  20   8.940   0.435   8.588
  580    HZ3  LYS  20           HZ3      LYS  20   7.982   1.829   8.582
  581    H    LEU  21           HN       LEU  21   3.369   3.472   3.827
  582    HA   LEU  21           HA       LEU  21   5.103   1.861   2.260
  583    HB2  LEU  21           HB2      LEU  21   2.890   1.331   1.903
  584    HB3  LEU  21           HB1      LEU  21   2.374   3.005   1.914
  585    HG   LEU  21           HG       LEU  21   3.184   3.331  -0.340
  586   HD11  LEU  21          HD11      LEU  21   3.821   0.817  -1.308
  587   HD12  LEU  21          HD12      LEU  21   4.693   0.933   0.221
  588   HD13  LEU  21          HD13      LEU  21   4.934   2.154  -1.025
  589   HD21  LEU  21          HD21      LEU  21   0.958   2.475  -0.181
  590   HD22  LEU  21          HD22      LEU  21   1.556   0.826   0.001
  591   HD23  LEU  21          HD23      LEU  21   1.762   1.673  -1.531
  592    H    LYS  22           HN       LYS  22   4.107   5.257   2.015
  593    HA   LYS  22           HA       LYS  22   5.244   5.892  -0.419
  594    HB2  LYS  22           HB2      LYS  22   3.937   7.579   0.509
  595    HB3  LYS  22           HB1      LYS  22   4.675   7.420   2.094
  596    HG2  LYS  22           HG2      LYS  22   6.456   8.349  -0.061
  597    HG3  LYS  22           HG1      LYS  22   5.161   9.451   0.411
  598    HD2  LYS  22           HD2      LYS  22   5.915   9.069   2.808
  599    HD3  LYS  22           HD1      LYS  22   7.353   8.307   2.125
  600    HE2  LYS  22           HE2      LYS  22   6.424  11.132   1.607
  601    HE3  LYS  22           HE1      LYS  22   7.757  10.656   2.659
  602    HZ1  LYS  22           HZ1      LYS  22   7.606  10.269  -0.280
  603    HZ2  LYS  22           HZ2      LYS  22   8.857   9.691   0.700
  604    HZ3  LYS  22           HZ3      LYS  22   8.608  11.356   0.543
  605    H    GLU  23           HN       GLU  23   6.646   5.675   2.786
  606    HA   GLU  23           HA       GLU  23   9.248   6.545   2.057
  607    HB2  GLU  23           HB2      GLU  23   8.868   6.677   4.350
  608    HB3  GLU  23           HB1      GLU  23   8.035   5.133   4.403
  609    HG2  GLU  23           HG2      GLU  23  10.080   3.935   4.276
  610    HG3  GLU  23           HG1      GLU  23  10.988   5.408   3.940
  611    H    SER  24           HN       SER  24   7.808   3.295   2.367
  612    HA   SER  24           HA       SER  24  10.121   1.925   1.699
  613    HB2  SER  24           HB2      SER  24   8.743   0.007   1.213
  614    HB3  SER  24           HB1      SER  24   8.044   0.864   2.586
  615    HG   SER  24           HG       SER  24   6.301   0.752   1.401
  616    H    LEU  25           HN       LEU  25   7.528   3.064  -0.476
  617    HA   LEU  25           HA       LEU  25   8.627   2.057  -2.890
  618    HB2  LEU  25           HB2      LEU  25   6.572   4.077  -2.150
  619    HB3  LEU  25           HB1      LEU  25   7.211   4.113  -3.780
  620    HG   LEU  25           HG       LEU  25   5.993   1.644  -2.550
  621   HD11  LEU  25          HD11      LEU  25   4.711   3.772  -4.253
  622   HD12  LEU  25          HD12      LEU  25   4.284   3.331  -2.600
  623   HD13  LEU  25          HD13      LEU  25   4.004   2.192  -3.917
  624   HD21  LEU  25          HD21      LEU  25   5.792   0.938  -4.888
  625   HD22  LEU  25          HD22      LEU  25   7.474   1.219  -4.430
  626   HD23  LEU  25          HD23      LEU  25   6.608   2.416  -5.399
  627    H    GLU  26           HN       GLU  26   8.923   5.234  -1.327
  628    HA   GLU  26           HA       GLU  26  10.389   6.451  -3.398
  629    HB2  GLU  26           HB2      GLU  26   9.382   7.233  -0.918
  630    HB3  GLU  26           HB1      GLU  26  11.119   7.444  -0.768
  631    HG2  GLU  26           HG2      GLU  26   9.369   8.632  -2.908
  632    HG3  GLU  26           HG1      GLU  26  10.037   9.484  -1.518
  633    H    LEU  27           HN       LEU  27  11.445   4.757  -0.476
  634    HA   LEU  27           HA       LEU  27  14.238   5.124  -0.797
  635    HB2  LEU  27           HB2      LEU  27  12.556   3.117   0.655
  636    HB3  LEU  27           HB1      LEU  27  14.306   3.068   0.669
  637    HG   LEU  27           HG       LEU  27  12.822   5.515   1.577
  638   HD11  LEU  27          HD11      LEU  27  11.936   3.633   2.850
  639   HD12  LEU  27          HD12      LEU  27  12.969   4.644   3.860
  640   HD13  LEU  27          HD13      LEU  27  13.576   3.110   3.235
  641   HD21  LEU  27          HD21      LEU  27  15.536   4.363   2.230
  642   HD22  LEU  27          HD22      LEU  27  14.866   5.857   2.887
  643   HD23  LEU  27          HD23      LEU  27  15.220   5.734   1.164
  644    H    MET  28           HN       MET  28  12.055   2.740  -2.328
  645    HA   MET  28           HA       MET  28  14.002   0.914  -2.858
  646    HB2  MET  28           HB2      MET  28  11.450   1.590  -4.196
  647    HB3  MET  28           HB1      MET  28  12.581   0.674  -5.180
  648    HG2  MET  28           HG2      MET  28  10.853  -0.625  -3.848
  649    HG3  MET  28           HG1      MET  28  12.525  -1.164  -3.747
  650    HE1  MET  28           HE1      MET  28  13.743  -1.513  -2.015
  651    HE2  MET  28           HE2      MET  28  13.430  -1.188  -0.310
  652    HE3  MET  28           HE3      MET  28  14.099   0.076  -1.337
  653    H    GLU  29           HN       GLU  29  14.038   4.066  -4.013
  654    HA   GLU  29           HA       GLU  29  15.642   3.421  -6.347
  655    HB2  GLU  29           HB2      GLU  29  15.493   5.678  -6.943
  656    HB3  GLU  29           HB1      GLU  29  13.922   5.304  -6.250
  657    HG2  GLU  29           HG2      GLU  29  14.509   6.392  -4.195
  658    HG3  GLU  29           HG1      GLU  29  16.164   6.632  -4.748
  659    H    LEU  30           HN       LEU  30  16.130   4.041  -3.036
  660    HA   LEU  30           HA       LEU  30  18.827   5.055  -3.476
  661    HB2  LEU  30           HB2      LEU  30  18.610   6.178  -1.570
  662    HB3  LEU  30           HB1      LEU  30  16.908   5.792  -1.688
  663    HG   LEU  30           HG       LEU  30  18.893   4.141  -0.144
  664   HD11  LEU  30          HD11      LEU  30  16.978   6.255   0.830
  665   HD12  LEU  30          HD12      LEU  30  18.736   6.391   0.791
  666   HD13  LEU  30          HD13      LEU  30  17.967   5.210   1.852
  667   HD21  LEU  30          HD21      LEU  30  15.888   4.169  -0.189
  668   HD22  LEU  30          HD22      LEU  30  16.870   3.251   0.949
  669   HD23  LEU  30          HD23      LEU  30  16.939   2.882  -0.773
  670    H    VAL  31           HN       VAL  31  17.407   2.116  -3.268
  671    HA   VAL  31           HA       VAL  31  19.624   0.902  -1.792
  672    HB   VAL  31           HB       VAL  31  17.614  -0.871  -3.008
  673   HG11  VAL  31          HG11      VAL  31  19.247  -0.679  -0.570
  674   HG12  VAL  31          HG12      VAL  31  18.902  -2.064  -1.607
  675   HG13  VAL  31          HG13      VAL  31  17.709  -1.522  -0.430
  676   HG21  VAL  31          HG21      VAL  31  16.848   1.148  -0.925
  677   HG22  VAL  31          HG22      VAL  31  15.988  -0.374  -1.138
  678   HG23  VAL  31          HG23      VAL  31  16.046   0.797  -2.454
  679    HA   PRO  32           HA       PRO  32  21.936   0.410  -5.553
  680    HB2  PRO  32           HB2      PRO  32  22.677  -2.139  -4.143
  681    HB3  PRO  32           HB1      PRO  32  23.717  -1.003  -5.012
  682    HG2  PRO  32           HG2      PRO  32  23.573  -0.977  -2.342
  683    HG3  PRO  32           HG1      PRO  32  23.731   0.523  -3.272
  684    HD2  PRO  32           HD2      PRO  32  21.392  -0.546  -1.809
  685    HD3  PRO  32           HD1      PRO  32  21.788   1.131  -2.235
  686    H    GLN  33           HN       GLN  33  21.121  -0.322  -7.428
  687    HA   GLN  33           HA       GLN  33  18.907  -1.921  -7.709
  688    HB2  GLN  33           HB2      GLN  33  19.579  -0.530  -9.517
  689    HB3  GLN  33           HB1      GLN  33  21.128  -1.347  -9.662
  690    HG2  GLN  33           HG2      GLN  33  19.726  -2.060 -11.453
  691    HG3  GLN  33           HG1      GLN  33  19.924  -3.405 -10.329
  692   HE21  GLN  33          HE21      GLN  33  17.731  -1.034 -11.610
  693   HE22  GLN  33          HE22      GLN  33  16.282  -1.744 -10.994
  694    HA   PRO  34           HA       PRO  34  21.854  -5.705  -8.749
  695    HB2  PRO  34           HB2      PRO  34  24.055  -5.084  -6.856
  696    HB3  PRO  34           HB1      PRO  34  24.125  -5.793  -8.472
  697    HG2  PRO  34           HG2      PRO  34  24.882  -3.274  -8.060
  698    HG3  PRO  34           HG1      PRO  34  23.994  -3.731  -9.526
  699    HD2  PRO  34           HD2      PRO  34  23.004  -2.356  -7.059
  700    HD3  PRO  34           HD1      PRO  34  22.606  -2.045  -8.761
  701    H    LEU  35           HN       LEU  35  21.568  -4.158  -5.612
  702    HA   LEU  35           HA       LEU  35  21.578  -6.622  -4.125
  703    HB2  LEU  35           HB2      LEU  35  22.481  -4.544  -3.184
  704    HB3  LEU  35           HB1      LEU  35  20.911  -3.784  -3.331
  705    HG   LEU  35           HG       LEU  35  20.008  -5.348  -1.676
  706   HD11  LEU  35          HD11      LEU  35  21.479  -7.241  -2.065
  707   HD12  LEU  35          HD12      LEU  35  21.495  -6.760  -0.367
  708   HD13  LEU  35          HD13      LEU  35  22.840  -6.322  -1.421
  709   HD21  LEU  35          HD21      LEU  35  22.462  -3.854  -0.788
  710   HD22  LEU  35          HD22      LEU  35  21.174  -4.424   0.273
  711   HD23  LEU  35          HD23      LEU  35  20.834  -3.194  -0.945
  712    H    VAL  36           HN       VAL  36  19.229  -4.410  -5.474
  713    HA   VAL  36           HA       VAL  36  16.954  -5.584  -4.145
  714    HB   VAL  36           HB       VAL  36  17.141  -3.768  -6.567
  715   HG11  VAL  36          HG11      VAL  36  14.688  -3.504  -6.335
  716   HG12  VAL  36          HG12      VAL  36  14.689  -4.814  -5.154
  717   HG13  VAL  36          HG13      VAL  36  15.166  -5.130  -6.822
  718   HG21  VAL  36          HG21      VAL  36  17.731  -2.723  -4.436
  719   HG22  VAL  36          HG22      VAL  36  16.196  -3.253  -3.747
  720   HG23  VAL  36          HG23      VAL  36  16.214  -2.080  -5.064
  721    H    ASP  37           HN       ASP  37  18.616  -6.021  -7.221
  722    HA   ASP  37           HA       ASP  37  16.791  -7.784  -8.411
  723    HB2  ASP  37           HB2      ASP  37  18.703  -6.811  -9.628
  724    HB3  ASP  37           HB1      ASP  37  19.814  -7.753  -8.639
  725    H    SER  38           HN       SER  38  19.528  -8.365  -6.181
  726    HA   SER  38           HA       SER  38  19.368 -11.147  -6.126
  727    HB2  SER  38           HB2      SER  38  20.137  -9.269  -3.876
  728    HB3  SER  38           HB1      SER  38  20.494 -10.995  -3.932
  729    HG   SER  38           HG       SER  38  22.253  -9.697  -4.650
  730    H    TYR  39           HN       TYR  39  17.659  -8.749  -4.117
  731    HA   TYR  39           HA       TYR  39  16.283 -10.576  -2.495
  732    HB2  TYR  39           HB2      TYR  39  16.069  -8.415  -1.701
  733    HB3  TYR  39           HB1      TYR  39  15.833  -7.734  -3.309
  734    HD1  TYR  39           HD1      TYR  39  14.163  -9.706  -0.647
  735    HD2  TYR  39           HD2      TYR  39  13.665  -7.346  -4.150
  736    HE1  TYR  39           HE1      TYR  39  11.734  -9.696  -0.289
  737    HE2  TYR  39           HE2      TYR  39  11.243  -7.330  -3.805
  738    HH   TYR  39           HH       TYR  39   9.532  -8.691  -2.659
  739    H    ARG  40           HN       ARG  40  15.443  -9.121  -5.604
  740    HA   ARG  40           HA       ARG  40  12.879 -10.150  -5.903
  741    HB2  ARG  40           HB2      ARG  40  15.000  -9.542  -7.966
  742    HB3  ARG  40           HB1      ARG  40  13.347  -9.974  -8.382
  743    HG2  ARG  40           HG2      ARG  40  12.537  -8.017  -7.148
  744    HG3  ARG  40           HG1      ARG  40  14.204  -7.579  -6.771
  745    HD2  ARG  40           HD2      ARG  40  14.687  -7.365  -9.158
  746    HD3  ARG  40           HD1      ARG  40  13.025  -7.812  -9.537
  747    HE   ARG  40           HE       ARG  40  13.102  -5.572  -7.799
  748   HH11  ARG  40          HH11      ARG  40  13.590  -6.505 -11.121
  749   HH12  ARG  40          HH12      ARG  40  13.194  -4.942 -11.752
  750   HH21  ARG  40          HH21      ARG  40  12.580  -3.512  -8.622
  751   HH22  ARG  40          HH22      ARG  40  12.621  -3.240 -10.332
  752    H    GLN  41           HN       GLN  41  16.005 -11.658  -6.394
  753    HA   GLN  41           HA       GLN  41  15.060 -14.022  -7.665
  754    HB2  GLN  41           HB2      GLN  41  17.427 -13.375  -7.726
  755    HB3  GLN  41           HB1      GLN  41  17.533 -13.558  -5.981
  756    HG2  GLN  41           HG2      GLN  41  17.129 -15.931  -6.168
  757    HG3  GLN  41           HG1      GLN  41  16.909 -15.780  -7.910
  758   HE21  GLN  41          HE21      GLN  41  18.700 -15.409  -9.223
  759   HE22  GLN  41          HE22      GLN  41  20.314 -15.680  -8.669
  760    H    GLN  42           HN       GLN  42  15.758 -13.171  -4.297
  761    HA   GLN  42           HA       GLN  42  15.063 -15.646  -3.153
  762    HB2  GLN  42           HB2      GLN  42  16.322 -14.034  -1.876
  763    HB3  GLN  42           HB1      GLN  42  15.042 -12.839  -2.028
  764    HG2  GLN  42           HG2      GLN  42  13.590 -14.157  -0.627
  765    HG3  GLN  42           HG1      GLN  42  14.793 -15.443  -0.542
  766   HE21  GLN  42          HE21      GLN  42  14.914 -15.328   1.693
  767   HE22  GLN  42          HE22      GLN  42  15.689 -14.019   2.511
  768    H    GLN  43           HN       GLN  43  13.217 -13.007  -4.357
  769    HA   GLN  43           HA       GLN  43  10.746 -13.678  -3.054
  770    HB2  GLN  43           HB2      GLN  43  11.181 -11.384  -3.701
  771    HB3  GLN  43           HB1      GLN  43  11.419 -11.860  -5.375
  772    HG2  GLN  43           HG2      GLN  43   9.012 -12.644  -5.343
  773    HG3  GLN  43           HG1      GLN  43   8.868 -11.789  -3.808
  774   HE21  GLN  43          HE21      GLN  43   9.017  -9.537  -3.776
  775   HE22  GLN  43          HE22      GLN  43   8.830  -8.589  -5.208
  776    H    GLN  44           HN       GLN  44  12.113 -14.071  -6.297
  777    HA   GLN  44           HA       GLN  44   9.909 -15.321  -7.490
  778    HB2  GLN  44           HB2      GLN  44  12.863 -15.497  -8.083
  779    HB3  GLN  44           HB1      GLN  44  11.638 -16.268  -9.082
  780    HG2  GLN  44           HG2      GLN  44  11.771 -13.322  -8.500
  781    HG3  GLN  44           HG1      GLN  44  12.395 -14.092  -9.958
  782   HE21  GLN  44          HE21      GLN  44   9.550 -13.174  -8.186
  783   HE22  GLN  44          HE22      GLN  44   8.424 -13.404  -9.475
  784    H    LEU  45           HN       LEU  45  12.218 -16.419  -5.219
  785    HA   LEU  45           HA       LEU  45  12.319 -19.152  -5.649
  786    HB2  LEU  45           HB2      LEU  45  13.735 -18.219  -4.002
  787    HB3  LEU  45           HB1      LEU  45  12.392 -17.493  -3.144
  788    HG   LEU  45           HG       LEU  45  11.714 -20.071  -2.863
  789   HD11  LEU  45          HD11      LEU  45  14.724 -20.081  -2.984
  790   HD12  LEU  45          HD12      LEU  45  13.635 -20.909  -4.097
  791   HD13  LEU  45          HD13      LEU  45  13.708 -21.401  -2.405
  792   HD21  LEU  45          HD21      LEU  45  11.865 -18.589  -1.014
  793   HD22  LEU  45          HD22      LEU  45  13.616 -18.445  -1.191
  794   HD23  LEU  45          HD23      LEU  45  12.906 -19.968  -0.656
  795    H    LEU  46           HN       LEU  46   9.886 -17.262  -3.871
  796    HA   LEU  46           HA       LEU  46   8.134 -19.607  -4.011
  797    HB2  LEU  46           HB2      LEU  46   8.403 -17.735  -1.666
  798    HB3  LEU  46           HB1      LEU  46   7.240 -19.045  -1.792
  799    HG   LEU  46           HG       LEU  46  10.210 -19.501  -1.918
  800   HD11  LEU  46          HD11      LEU  46   9.677 -18.470   0.226
  801   HD12  LEU  46          HD12      LEU  46  10.125 -20.165   0.414
  802   HD13  LEU  46          HD13      LEU  46   8.429 -19.689   0.499
  803   HD21  LEU  46          HD21      LEU  46   7.910 -21.345  -1.308
  804   HD22  LEU  46          HD22      LEU  46   9.614 -21.793  -1.394
  805   HD23  LEU  46          HD23      LEU  46   8.768 -21.256  -2.846
  806    H    GLN  47           HN       GLN  47   7.719 -16.244  -2.878
  807    HA   GLN  47           HA       GLN  47   6.128 -14.682  -3.388
  808    HB2  GLN  47           HB2      GLN  47   7.343 -15.181  -5.684
  809    HB3  GLN  47           HB1      GLN  47   5.788 -15.880  -6.111
  810    HG2  GLN  47           HG2      GLN  47   6.253 -13.053  -5.194
  811    HG3  GLN  47           HG1      GLN  47   5.983 -13.571  -6.856
  812   HE21  GLN  47          HE21      GLN  47   4.545 -13.026  -3.750
  813   HE22  GLN  47          HE22      GLN  47   2.899 -13.126  -4.265
  814    H    ARG  48           HN       ARG  48   5.094 -16.654  -1.943
  815    HA   ARG  48           HA       ARG  48   2.365 -16.751  -2.839
  816    HB2  ARG  48           HB2      ARG  48   2.252 -19.276  -2.498
  817    HB3  ARG  48           HB1      ARG  48   2.994 -18.708  -3.986
  818    HG2  ARG  48           HG2      ARG  48   5.201 -19.075  -3.042
  819    HG3  ARG  48           HG1      ARG  48   4.473 -19.610  -1.527
  820    HD2  ARG  48           HD2      ARG  48   3.395 -21.464  -2.701
  821    HD3  ARG  48           HD1      ARG  48   4.118 -20.927  -4.216
  822    HE   ARG  48           HE       ARG  48   6.169 -21.321  -2.359
  823   HH11  ARG  48          HH11      ARG  48   3.799 -23.174  -4.118
  824   HH12  ARG  48          HH12      ARG  48   4.766 -24.610  -4.161
  825   HH21  ARG  48          HH21      ARG  48   7.449 -23.208  -2.411
  826   HH22  ARG  48          HH22      ARG  48   6.840 -24.630  -3.189
  827    H    ASP   1           HT1      ASP   1  -5.203 -16.127 -16.398
  828    HA   ASP   1           HA       ASP   1  -6.334 -15.752 -14.304
  829    HB2  ASP   1           HB2      ASP   1  -3.324 -15.466 -14.150
  830    HB3  ASP   1           HB1      ASP   1  -4.364 -16.008 -12.837
  831    H    GLU   2           HN       GLU   2  -6.944 -14.408 -12.680
  832    HA   GLU   2           HA       GLU   2  -5.595 -11.998 -12.010
  833    HB2  GLU   2           HB2      GLU   2  -7.177 -10.369 -12.820
  834    HB3  GLU   2           HB1      GLU   2  -6.608 -11.323 -14.183
  835    HG2  GLU   2           HG2      GLU   2  -9.226 -11.730 -12.753
  836    HG3  GLU   2           HG1      GLU   2  -9.017 -10.865 -14.274
  837    H    ASP   3           HN       ASP   3  -7.201 -14.480 -11.068
  838    HA   ASP   3           HA       ASP   3  -9.251 -13.287  -9.424
  839    HB2  ASP   3           HB2      ASP   3  -8.137 -16.101  -9.394
  840    HB3  ASP   3           HB1      ASP   3  -9.595 -15.559  -8.569
  841    H    THR   4           HN       THR   4  -8.497 -15.241  -7.168
  842    HA   THR   4           HA       THR   4  -7.046 -13.318  -5.651
  843    HB   THR   4           HB       THR   4  -7.136 -16.002  -4.513
  844    HG1  THR   4           HG1      THR   4  -9.433 -15.924  -4.243
  845   HG21  THR   4          HG21      THR   4  -6.613 -14.095  -3.135
  846   HG22  THR   4          HG22      THR   4  -8.178 -14.739  -2.633
  847   HG23  THR   4          HG23      THR   4  -8.101 -13.285  -3.633
  848    H    TYR   5           HN       TYR   5  -5.046 -13.368  -4.873
  849    HA   TYR   5           HA       TYR   5  -3.147 -15.207  -6.167
  850    HB2  TYR   5           HB2      TYR   5  -3.027 -12.243  -5.792
  851    HB3  TYR   5           HB1      TYR   5  -1.588 -13.214  -6.091
  852    HD1  TYR   5           HD1      TYR   5  -1.498 -14.610  -8.198
  853    HD2  TYR   5           HD2      TYR   5  -4.426 -11.592  -7.562
  854    HE1  TYR   5           HE1      TYR   5  -1.934 -14.534 -10.614
  855    HE2  TYR   5           HE2      TYR   5  -4.869 -11.504  -9.979
  856    HH   TYR   5           HH       TYR   5  -3.957 -12.101 -12.047
  857    H    TYR   6           HN       TYR   6  -1.080 -15.419  -4.850
  858    HA   TYR   6           HA       TYR   6  -1.570 -14.735  -2.037
  859    HB2  TYR   6           HB2      TYR   6   0.338 -16.880  -3.005
  860    HB3  TYR   6           HB1      TYR   6  -0.277 -16.644  -1.374
  861    HD1  TYR   6           HD2      TYR   6  -3.196 -16.193  -2.172
  862    HD2  TYR   6           HD1      TYR   6  -0.352 -19.144  -3.307
  863    HE1  TYR   6           HE2      TYR   6  -5.026 -17.764  -2.613
  864    HE2  TYR   6           HE1      TYR   6  -2.177 -20.732  -3.761
  865    HH   TYR   6           HH       TYR   6  -5.432 -19.785  -3.955
  866    H    LEU   7           HN       LEU   7  -0.296 -13.391  -1.050
  867    HA   LEU   7           HA       LEU   7   2.121 -12.430  -2.445
  868    HB2  LEU   7           HB2      LEU   7  -0.173 -11.126  -1.653
  869    HB3  LEU   7           HB1      LEU   7   0.915 -10.811  -0.332
  870    HG   LEU   7           HG       LEU   7   2.119  -9.316  -1.506
  871   HD11  LEU   7          HD11      LEU   7   1.976 -11.248  -3.663
  872   HD12  LEU   7          HD12      LEU   7   3.256 -10.118  -3.233
  873   HD13  LEU   7          HD13      LEU   7   1.891  -9.574  -4.212
  874   HD21  LEU   7          HD21      LEU   7   0.701  -7.944  -2.787
  875   HD22  LEU   7          HD22      LEU   7  -0.321  -8.769  -1.606
  876   HD23  LEU   7          HD23      LEU   7  -0.289  -9.319  -3.281
  877    H    GLN   8           HN       GLN   8   3.848 -13.471  -1.474
  878    HA   GLN   8           HA       GLN   8   3.806 -13.953   1.312
  879    HB2  GLN   8           HB2      GLN   8   5.101 -15.078  -0.774
  880    HB3  GLN   8           HB1      GLN   8   6.380 -14.074  -0.116
  881    HG2  GLN   8           HG2      GLN   8   5.694 -15.167   2.132
  882    HG3  GLN   8           HG1      GLN   8   4.993 -16.399   1.083
  883   HE21  GLN   8          HE21      GLN   8   6.410 -17.983   1.628
  884   HE22  GLN   8          HE22      GLN   8   8.080 -17.956   1.195
  885    H    VAL   9           HN       VAL   9   4.096 -12.488   2.781
  886    HA   VAL   9           HA       VAL   9   5.946 -10.313   2.178
  887    HB   VAL   9           HB       VAL   9   3.332 -10.221   3.674
  888   HG11  VAL   9          HG11      VAL   9   3.842  -7.854   4.192
  889   HG12  VAL   9          HG12      VAL   9   5.502  -8.140   3.668
  890   HG13  VAL   9          HG13      VAL   9   4.851  -9.012   5.057
  891   HG21  VAL   9          HG21      VAL   9   2.724  -8.540   2.072
  892   HG22  VAL   9          HG22      VAL   9   3.323  -9.961   1.216
  893   HG23  VAL   9          HG23      VAL   9   4.352  -8.541   1.396
  894    H    ARG  10           HN       ARG  10   7.605 -10.028   3.569
  895    HA   ARG  10           HA       ARG  10   7.643 -11.800   5.910
  896    HB2  ARG  10           HB2      ARG  10   9.480 -11.886   4.116
  897    HB3  ARG  10           HB1      ARG  10  10.017 -10.338   4.750
  898    HG2  ARG  10           HG2      ARG  10   9.684 -12.670   6.585
  899    HG3  ARG  10           HG1      ARG  10  11.125 -12.526   5.579
  900    HD2  ARG  10           HD2      ARG  10  11.531 -10.289   6.534
  901    HD3  ARG  10           HD1      ARG  10  10.127 -10.498   7.577
  902    HE   ARG  10           HE       ARG  10  11.802 -12.668   8.015
  903   HH11  ARG  10          HH11      ARG  10  11.879  -9.208   8.418
  904   HH12  ARG  10          HH12      ARG  10  12.960  -9.261   9.771
  905   HH21  ARG  10          HH21      ARG  10  13.224 -12.747   9.795
  906   HH22  ARG  10          HH22      ARG  10  13.724 -11.272  10.553
  907    H    GLY  11           HN       GLY  11   7.878 -11.087   7.926
  908    HA2  GLY  11           HA2      GLY  11   8.371  -9.494   9.607
  909    HA3  GLY  11           HA1      GLY  11   8.397  -8.236   8.377
  910    H    ARG  12           HN       ARG  12   6.766  -9.209  10.984
  911    HA   ARG  12           HA       ARG  12   4.074  -9.246  10.347
  912    HB2  ARG  12           HB2      ARG  12   5.235  -9.582  12.624
  913    HB3  ARG  12           HB1      ARG  12   5.109  -7.836  12.794
  914    HG2  ARG  12           HG2      ARG  12   3.250  -8.737  13.911
  915    HG3  ARG  12           HG1      ARG  12   2.636  -8.099  12.385
  916    HD2  ARG  12           HD2      ARG  12   2.785 -10.391  11.436
  917    HD3  ARG  12           HD1      ARG  12   3.241 -10.979  13.034
  918    HE   ARG  12           HE       ARG  12   0.716  -9.529  12.767
  919   HH11  ARG  12          HH11      ARG  12   2.398 -12.546  13.239
  920   HH12  ARG  12          HH12      ARG  12   0.992 -13.388  13.796
  921   HH21  ARG  12          HH21      ARG  12  -1.136 -10.631  13.501
  922   HH22  ARG  12          HH22      ARG  12  -1.016 -12.301  13.945
  923    H    GLU  13           HN       GLU  13   6.011  -6.319  11.081
  924    HA   GLU  13           HA       GLU  13   3.968  -4.483  10.907
  925    HB2  GLU  13           HB2      GLU  13   6.222  -3.907  11.646
  926    HB3  GLU  13           HB1      GLU  13   6.840  -4.154  10.019
  927    HG2  GLU  13           HG2      GLU  13   5.536  -2.283   9.208
  928    HG3  GLU  13           HG1      GLU  13   4.829  -2.059  10.807
  929    H    ASN  14           HN       ASN  14   5.959  -5.758   8.262
  930    HA   ASN  14           HA       ASN  14   4.836  -4.188   6.186
  931    HB2  ASN  14           HB2      ASN  14   6.118  -6.926   6.015
  932    HB3  ASN  14           HB1      ASN  14   5.896  -5.793   4.687
  933   HD21  ASN  14          HD21      ASN  14   8.155  -5.917   4.337
  934   HD22  ASN  14          HD22      ASN  14   9.252  -5.018   5.323
  935    H    PHE  15           HN       PHE  15   4.155  -7.451   7.380
  936    HA   PHE  15           HA       PHE  15   2.215  -8.196   5.533
  937    HB2  PHE  15           HB2      PHE  15   3.294  -9.708   7.178
  938    HB3  PHE  15           HB1      PHE  15   2.342  -8.960   8.455
  939    HD1  PHE  15           HD2      PHE  15   1.294  -9.941   5.018
  940    HD2  PHE  15           HD1      PHE  15   0.960 -10.659   9.208
  941    HE1  PHE  15           HE2      PHE  15  -0.512 -11.537   4.594
  942    HE2  PHE  15           HE1      PHE  15  -0.878 -12.256   8.774
  943    HZ   PHE  15           HZ       PHE  15  -1.605 -12.689   6.459
  944    H    GLU  16           HN       GLU  16   1.838  -6.518   8.637
  945    HA   GLU  16           HA       GLU  16  -0.992  -6.353   8.609
  946    HB2  GLU  16           HB2      GLU  16   1.074  -4.603   9.953
  947    HB3  GLU  16           HB1      GLU  16  -0.655  -4.527  10.265
  948    HG2  GLU  16           HG2      GLU  16   1.096  -6.930  10.730
  949    HG3  GLU  16           HG1      GLU  16   0.551  -5.802  11.970
  950    H    ILE  17           HN       ILE  17   1.466  -4.008   7.448
  951    HA   ILE  17           HA       ILE  17  -0.442  -2.044   6.767
  952    HB   ILE  17           HB       ILE  17   2.402  -2.504   6.180
  953   HG12  ILE  17          HG12      ILE  17   0.990   0.114   6.577
  954   HG13  ILE  17          HG11      ILE  17   1.241  -0.979   7.932
  955   HG21  ILE  17          HG21      ILE  17   1.583  -2.234   3.896
  956   HG22  ILE  17          HG22      ILE  17   2.510  -0.820   4.404
  957   HG23  ILE  17          HG23      ILE  17   0.746  -0.752   4.367
  958   HD11  ILE  17          HD11      ILE  17   3.625  -0.849   7.650
  959   HD12  ILE  17          HD12      ILE  17   2.954   0.784   7.739
  960   HD13  ILE  17          HD13      ILE  17   3.433   0.110   6.179
  961    H    LEU  18           HN       LEU  18   0.938  -4.748   4.897
  962    HA   LEU  18           HA       LEU  18  -0.378  -4.006   2.463
  963    HB2  LEU  18           HB2      LEU  18   1.202  -6.347   3.441
  964    HB3  LEU  18           HB1      LEU  18   0.265  -6.481   1.966
  965    HG   LEU  18           HG       LEU  18   1.915  -4.091   1.978
  966   HD11  LEU  18          HD11      LEU  18   4.052  -5.302   1.682
  967   HD12  LEU  18          HD12      LEU  18   3.261  -6.769   2.254
  968   HD13  LEU  18          HD13      LEU  18   3.428  -5.384   3.329
  969   HD21  LEU  18          HD21      LEU  18   0.875  -4.909  -0.019
  970   HD22  LEU  18          HD22      LEU  18   1.630  -6.490   0.178
  971   HD23  LEU  18          HD23      LEU  18   2.621  -5.080  -0.194
  972    H    MET  19           HN       MET  19  -0.959  -6.312   5.090
  973    HA   MET  19           HA       MET  19  -3.136  -7.630   3.927
  974    HB2  MET  19           HB2      MET  19  -1.805  -8.113   6.169
  975    HB3  MET  19           HB1      MET  19  -3.079  -7.148   6.894
  976    HG2  MET  19           HG2      MET  19  -3.307  -9.783   5.483
  977    HG3  MET  19           HG1      MET  19  -3.710  -9.386   7.148
  978    HE1  MET  19           HE1      MET  19  -6.040 -10.959   6.114
  979    HE2  MET  19           HE2      MET  19  -5.202 -10.822   4.569
  980    HE3  MET  19           HE3      MET  19  -6.889 -10.329   4.702
  981    H    LYS  20           HN       LYS  20  -3.081  -4.839   6.097
  982    HA   LYS  20           HA       LYS  20  -5.819  -4.323   6.206
  983    HB2  LYS  20           HB2      LYS  20  -3.682  -3.208   7.334
  984    HB3  LYS  20           HB1      LYS  20  -3.916  -2.049   6.033
  985    HG2  LYS  20           HG2      LYS  20  -6.174  -2.839   7.834
  986    HG3  LYS  20           HG1      LYS  20  -5.023  -1.582   8.292
  987    HD2  LYS  20           HD2      LYS  20  -5.550  -0.439   6.125
  988    HD3  LYS  20           HD1      LYS  20  -6.839  -1.621   5.888
  989    HE2  LYS  20           HE2      LYS  20  -6.620   0.144   8.316
  990    HE3  LYS  20           HE1      LYS  20  -7.556   0.570   6.885
  991    HZ1  LYS  20           HZ1      LYS  20  -8.889  -1.420   7.210
  992    HZ2  LYS  20           HZ2      LYS  20  -8.943  -0.439   8.586
  993    HZ3  LYS  20           HZ3      LYS  20  -7.985  -1.832   8.580
  994    H    LEU  21           HN       LEU  21  -3.371  -3.472   3.826
  995    HA   LEU  21           HA       LEU  21  -5.105  -1.862   2.258
  996    HB2  LEU  21           HB2      LEU  21  -2.892  -1.331   1.904
  997    HB3  LEU  21           HB1      LEU  21  -2.375  -3.006   1.913
  998    HG   LEU  21           HG       LEU  21  -3.185  -3.330  -0.340
  999   HD11  LEU  21          HD11      LEU  21  -3.820  -0.817  -1.309
 1000   HD12  LEU  21          HD12      LEU  21  -4.694  -0.933   0.220
 1001   HD13  LEU  21          HD13      LEU  21  -4.934  -2.155  -1.027
 1002   HD21  LEU  21          HD21      LEU  21  -0.959  -2.475  -0.182
 1003   HD22  LEU  21          HD22      LEU  21  -1.556  -0.826   0.001
 1004   HD23  LEU  21          HD23      LEU  21  -1.763  -1.673  -1.532
 1005    H    LYS  22           HN       LYS  22  -4.108  -5.258   2.013
 1006    HA   LYS  22           HA       LYS  22  -5.244  -5.893  -0.422
 1007    HB2  LYS  22           HB2      LYS  22  -3.937  -7.580   0.507
 1008    HB3  LYS  22           HB1      LYS  22  -4.676  -7.421   2.092
 1009    HG2  LYS  22           HG2      LYS  22  -6.455  -8.351  -0.065
 1010    HG3  LYS  22           HG1      LYS  22  -5.160  -9.452   0.408
 1011    HD2  LYS  22           HD2      LYS  22  -5.915  -9.070   2.804
 1012    HD3  LYS  22           HD1      LYS  22  -7.353  -8.308   2.121
 1013    HE2  LYS  22           HE2      LYS  22  -6.424 -11.133   1.604
 1014    HE3  LYS  22           HE1      LYS  22  -7.757 -10.658   2.655
 1015    HZ1  LYS  22           HZ1      LYS  22  -7.606 -10.270  -0.284
 1016    HZ2  LYS  22           HZ2      LYS  22  -8.857  -9.693   0.696
 1017    HZ3  LYS  22           HZ3      LYS  22  -8.607 -11.358   0.538
 1018    H    GLU  23           HN       GLU  23  -6.646  -5.676   2.784
 1019    HA   GLU  23           HA       GLU  23  -9.248  -6.546   2.053
 1020    HB2  GLU  23           HB2      GLU  23  -8.869  -6.679   4.347
 1021    HB3  GLU  23           HB1      GLU  23  -8.036  -5.135   4.400
 1022    HG2  GLU  23           HG2      GLU  23 -10.082  -3.937   4.273
 1023    HG3  GLU  23           HG1      GLU  23 -10.989  -5.411   3.936
 1024    H    SER  24           HN       SER  24  -7.808  -3.297   2.365
 1025    HA   SER  24           HA       SER  24 -10.121  -1.927   1.696
 1026    HB2  SER  24           HB2      SER  24  -8.744  -0.009   1.211
 1027    HB3  SER  24           HB1      SER  24  -8.045  -0.866   2.584
 1028    HG   SER  24           HG       SER  24  -6.302  -0.752   1.399
 1029    H    LEU  25           HN       LEU  25  -7.527  -3.064  -0.480
 1030    HA   LEU  25           HA       LEU  25  -8.627  -2.059  -2.894
 1031    HB2  LEU  25           HB2      LEU  25  -6.571  -4.078  -2.153
 1032    HB3  LEU  25           HB1      LEU  25  -7.210  -4.114  -3.784
 1033    HG   LEU  25           HG       LEU  25  -5.993  -1.644  -2.552
 1034   HD11  LEU  25          HD11      LEU  25  -4.712  -3.772  -4.256
 1035   HD12  LEU  25          HD12      LEU  25  -4.284  -3.332  -2.602
 1036   HD13  LEU  25          HD13      LEU  25  -4.004  -2.193  -3.918
 1037   HD21  LEU  25          HD21      LEU  25  -5.790  -0.938  -4.889
 1038   HD22  LEU  25          HD22      LEU  25  -7.472  -1.219  -4.433
 1039   HD23  LEU  25          HD23      LEU  25  -6.605  -2.416  -5.402
 1040    H    GLU  26           HN       GLU  26  -8.923  -5.236  -1.331
 1041    HA   GLU  26           HA       GLU  26 -10.388  -6.452  -3.402
 1042    HB2  GLU  26           HB2      GLU  26  -9.382  -7.234  -0.921
 1043    HB3  GLU  26           HB1      GLU  26 -11.119  -7.446  -0.773
 1044    HG2  GLU  26           HG2      GLU  26  -9.367  -8.634  -2.912
 1045    HG3  GLU  26           HG1      GLU  26 -10.036  -9.485  -1.521
 1046    H    LEU  27           HN       LEU  27 -11.445  -4.758  -0.480
 1047    HA   LEU  27           HA       LEU  27 -14.238  -5.126  -0.803
 1048    HB2  LEU  27           HB2      LEU  27 -12.556  -3.119   0.651
 1049    HB3  LEU  27           HB1      LEU  27 -14.307  -3.070   0.664
 1050    HG   LEU  27           HG       LEU  27 -12.823  -5.518   1.572
 1051   HD11  LEU  27          HD11      LEU  27 -11.937  -3.636   2.845
 1052   HD12  LEU  27          HD12      LEU  27 -12.970  -4.648   3.855
 1053   HD13  LEU  27          HD13      LEU  27 -13.577  -3.114   3.230
 1054   HD21  LEU  27          HD21      LEU  27 -15.538  -4.364   2.224
 1055   HD22  LEU  27          HD22      LEU  27 -14.868  -5.859   2.882
 1056   HD23  LEU  27          HD23      LEU  27 -15.222  -5.736   1.159
 1057    H    MET  28           HN       MET  28 -12.055  -2.741  -2.332
 1058    HA   MET  28           HA       MET  28 -14.002  -0.915  -2.863
 1059    HB2  MET  28           HB2      MET  28 -11.450  -1.591  -4.200
 1060    HB3  MET  28           HB1      MET  28 -12.580  -0.674  -5.184
 1061    HG2  MET  28           HG2      MET  28 -10.852   0.624  -3.851
 1062    HG3  MET  28           HG1      MET  28 -12.525   1.163  -3.750
 1063    HE1  MET  28           HE1      MET  28 -13.742   1.512  -2.017
 1064    HE2  MET  28           HE2      MET  28 -13.431   1.185  -0.313
 1065    HE3  MET  28           HE3      MET  28 -14.099  -0.077  -1.342
 1066    H    GLU  29           HN       GLU  29 -14.037  -4.068  -4.017
 1067    HA   GLU  29           HA       GLU  29 -15.641  -3.422  -6.353
 1068    HB2  GLU  29           HB2      GLU  29 -15.490  -5.679  -6.949
 1069    HB3  GLU  29           HB1      GLU  29 -13.920  -5.305  -6.254
 1070    HG2  GLU  29           HG2      GLU  29 -14.507  -6.394  -4.201
 1071    HG3  GLU  29           HG1      GLU  29 -16.162  -6.634  -4.754
 1072    H    LEU  30           HN       LEU  30 -16.129  -4.042  -3.041
 1073    HA   LEU  30           HA       LEU  30 -18.826  -5.057  -3.482
 1074    HB2  LEU  30           HB2      LEU  30 -18.609  -6.180  -1.576
 1075    HB3  LEU  30           HB1      LEU  30 -16.907  -5.794  -1.693
 1076    HG   LEU  30           HG       LEU  30 -18.894  -4.144  -0.150
 1077   HD11  LEU  30          HD11      LEU  30 -16.980  -6.259   0.825
 1078   HD12  LEU  30          HD12      LEU  30 -18.738  -6.393   0.784
 1079   HD13  LEU  30          HD13      LEU  30 -17.969  -5.214   1.846
 1080   HD21  LEU  30          HD21      LEU  30 -15.889  -4.171  -0.193
 1081   HD22  LEU  30          HD22      LEU  30 -16.873  -3.252   0.944
 1082   HD23  LEU  30          HD23      LEU  30 -16.939  -2.884  -0.779
 1083    H    VAL  31           HN       VAL  31 -17.407  -2.118  -3.273
 1084    HA   VAL  31           HA       VAL  31 -19.624  -0.905  -1.798
 1085    HB   VAL  31           HB       VAL  31 -17.614   0.869  -3.013
 1086   HG11  VAL  31          HG11      VAL  31 -19.249   0.676  -0.575
 1087   HG12  VAL  31          HG12      VAL  31 -18.904   2.062  -1.612
 1088   HG13  VAL  31          HG13      VAL  31 -17.711   1.520  -0.434
 1089   HG21  VAL  31          HG21      VAL  31 -16.849  -1.150  -0.930
 1090   HG22  VAL  31          HG22      VAL  31 -15.989   0.372  -1.142
 1091   HG23  VAL  31          HG23      VAL  31 -16.047  -0.799  -2.458
 1092    HA   PRO  32           HA       PRO  32 -21.934  -0.413  -5.559
 1093    HB2  PRO  32           HB2      PRO  32 -22.678   2.136  -4.151
 1094    HB3  PRO  32           HB1      PRO  32 -23.716   0.998  -5.019
 1095    HG2  PRO  32           HG2      PRO  32 -23.574   0.975  -2.349
 1096    HG3  PRO  32           HG1      PRO  32 -23.731  -0.526  -3.279
 1097    HD2  PRO  32           HD2      PRO  32 -21.393   0.545  -1.815
 1098    HD3  PRO  32           HD1      PRO  32 -21.788  -1.133  -2.241
 1099    H    GLN  33           HN       GLN  33 -21.119   0.320  -7.435
 1100    HA   GLN  33           HA       GLN  33 -18.906   1.919  -7.714
 1101    HB2  GLN  33           HB2      GLN  33 -19.577   0.529  -9.523
 1102    HB3  GLN  33           HB1      GLN  33 -21.126   1.346  -9.668
 1103    HG2  GLN  33           HG2      GLN  33 -19.724   2.059 -11.457
 1104    HG3  GLN  33           HG1      GLN  33 -19.923   3.404 -10.334
 1105   HE21  GLN  33          HE21      GLN  33 -17.729   1.034 -11.614
 1106   HE22  GLN  33          HE22      GLN  33 -16.280   1.745 -10.999
 1107    HA   PRO  34           HA       PRO  34 -21.853   5.703  -8.754
 1108    HB2  PRO  34           HB2      PRO  34 -24.055   5.081  -6.862
 1109    HB3  PRO  34           HB1      PRO  34 -24.125   5.791  -8.478
 1110    HG2  PRO  34           HG2      PRO  34 -24.882   3.272  -8.067
 1111    HG3  PRO  34           HG1      PRO  34 -23.992   3.729  -9.533
 1112    HD2  PRO  34           HD2      PRO  34 -23.004   2.354  -7.065
 1113    HD3  PRO  34           HD1      PRO  34 -22.605   2.043  -8.766
 1114    H    LEU  35           HN       LEU  35 -21.568   4.156  -5.617
 1115    HA   LEU  35           HA       LEU  35 -21.579   6.620  -4.131
 1116    HB2  LEU  35           HB2      LEU  35 -22.483   4.543  -3.189
 1117    HB3  LEU  35           HB1      LEU  35 -20.913   3.781  -3.337
 1118    HG   LEU  35           HG       LEU  35 -20.009   5.345  -1.680
 1119   HD11  LEU  35          HD11      LEU  35 -21.482   7.238  -2.068
 1120   HD12  LEU  35          HD12      LEU  35 -21.497   6.757  -0.371
 1121   HD13  LEU  35          HD13      LEU  35 -22.842   6.318  -1.426
 1122   HD21  LEU  35          HD21      LEU  35 -22.464   3.850  -0.794
 1123   HD22  LEU  35          HD22      LEU  35 -21.177   4.420   0.268
 1124   HD23  LEU  35          HD23      LEU  35 -20.836   3.191  -0.951
 1125    H    VAL  36           HN       VAL  36 -19.230   4.408  -5.479
 1126    HA   VAL  36           HA       VAL  36 -16.955   5.583  -4.150
 1127    HB   VAL  36           HB       VAL  36 -17.141   3.767  -6.571
 1128   HG11  VAL  36          HG11      VAL  36 -14.688   3.503  -6.338
 1129   HG12  VAL  36          HG12      VAL  36 -14.690   4.813  -5.157
 1130   HG13  VAL  36          HG13      VAL  36 -15.166   5.129  -6.825
 1131   HG21  VAL  36          HG21      VAL  36 -17.732   2.721  -4.441
 1132   HG22  VAL  36          HG22      VAL  36 -16.197   3.252  -3.751
 1133   HG23  VAL  36          HG23      VAL  36 -16.214   2.078  -5.068
 1134    H    ASP  37           HN       ASP  37 -18.615   6.020  -7.226
 1135    HA   ASP  37           HA       ASP  37 -16.791   7.784  -8.414
 1136    HB2  ASP  37           HB2      ASP  37 -18.702   6.810  -9.632
 1137    HB3  ASP  37           HB1      ASP  37 -19.814   7.752  -8.643
 1138    H    SER  38           HN       SER  38 -19.528   8.363  -6.184
 1139    HA   SER  38           HA       SER  38 -19.369  11.145  -6.129
 1140    HB2  SER  38           HB2      SER  38 -20.139   9.266  -3.880
 1141    HB3  SER  38           HB1      SER  38 -20.496  10.992  -3.936
 1142    HG   SER  38           HG       SER  38 -22.254   9.695  -4.656
 1143    H    TYR  39           HN       TYR  39 -17.661   8.746  -4.119
 1144    HA   TYR  39           HA       TYR  39 -16.284  10.574  -2.498
 1145    HB2  TYR  39           HB2      TYR  39 -16.070   8.412  -1.704
 1146    HB3  TYR  39           HB1      TYR  39 -15.833   7.732  -3.312
 1147    HD1  TYR  39           HD1      TYR  39 -14.165   9.704  -0.648
 1148    HD2  TYR  39           HD2      TYR  39 -13.665   7.345  -4.152
 1149    HE1  TYR  39           HE1      TYR  39 -11.736   9.694  -0.290
 1150    HE2  TYR  39           HE2      TYR  39 -11.243   7.330  -3.807
 1151    HH   TYR  39           HH       TYR  39  -9.533   8.689  -2.660
 1152    H    ARG  40           HN       ARG  40 -15.443   9.119  -5.607
 1153    HA   ARG  40           HA       ARG  40 -12.881  10.149  -5.905
 1154    HB2  ARG  40           HB2      ARG  40 -15.001   9.540  -7.968
 1155    HB3  ARG  40           HB1      ARG  40 -13.348   9.974  -8.384
 1156    HG2  ARG  40           HG2      ARG  40 -12.537   8.017  -7.150
 1157    HG3  ARG  40           HG1      ARG  40 -14.204   7.578  -6.774
 1158    HD2  ARG  40           HD2      ARG  40 -14.687   7.365  -9.161
 1159    HD3  ARG  40           HD1      ARG  40 -13.024   7.812  -9.540
 1160    HE   ARG  40           HE       ARG  40 -13.102   5.572  -7.801
 1161   HH11  ARG  40          HH11      ARG  40 -13.590   6.505 -11.122
 1162   HH12  ARG  40          HH12      ARG  40 -13.194   4.943 -11.755
 1163   HH21  ARG  40          HH21      ARG  40 -12.577   3.512  -8.625
 1164   HH22  ARG  40          HH22      ARG  40 -12.619   3.241 -10.335
 1165    H    GLN  41           HN       GLN  41 -16.007  11.656  -6.396
 1166    HA   GLN  41           HA       GLN  41 -15.061  14.021  -7.666
 1167    HB2  GLN  41           HB2      GLN  41 -17.428  13.375  -7.727
 1168    HB3  GLN  41           HB1      GLN  41 -17.535  13.557  -5.982
 1169    HG2  GLN  41           HG2      GLN  41 -17.130  15.931  -6.170
 1170    HG3  GLN  41           HG1      GLN  41 -16.910  15.779  -7.912
 1171   HE21  GLN  41          HE21      GLN  41 -18.700  15.411  -9.224
 1172   HE22  GLN  41          HE22      GLN  41 -20.315  15.679  -8.671
 1173    H    GLN  42           HN       GLN  42 -15.758  13.168  -4.299
 1174    HA   GLN  42           HA       GLN  42 -15.066  15.644  -3.154
 1175    HB2  GLN  42           HB2      GLN  42 -16.325  14.033  -1.877
 1176    HB3  GLN  42           HB1      GLN  42 -15.046  12.837  -2.030
 1177    HG2  GLN  42           HG2      GLN  42 -13.593  14.155  -0.628
 1178    HG3  GLN  42           HG1      GLN  42 -14.797  15.441  -0.542
 1179   HE21  GLN  42          HE21      GLN  42 -14.918  15.324   1.693
 1180   HE22  GLN  42          HE22      GLN  42 -15.693  14.014   2.510
 1181    H    GLN  43           HN       GLN  43 -13.219  13.006  -4.357
 1182    HA   GLN  43           HA       GLN  43 -10.748  13.677  -3.054
 1183    HB2  GLN  43           HB2      GLN  43 -11.183  11.383  -3.701
 1184    HB3  GLN  43           HB1      GLN  43 -11.421  11.858  -5.375
 1185    HG2  GLN  43           HG2      GLN  43  -9.014  12.643  -5.342
 1186    HG3  GLN  43           HG1      GLN  43  -8.870  11.788  -3.807
 1187   HE21  GLN  43          HE21      GLN  43  -9.019   9.537  -3.776
 1188   HE22  GLN  43          HE22      GLN  43  -8.830   8.589  -5.208
 1189    H    GLN  44           HN       GLN  44 -12.115  14.071  -6.297
 1190    HA   GLN  44           HA       GLN  44  -9.911  15.322  -7.489
 1191    HB2  GLN  44           HB2      GLN  44 -12.865  15.498  -8.084
 1192    HB3  GLN  44           HB1      GLN  44 -11.639  16.268  -9.082
 1193    HG2  GLN  44           HG2      GLN  44 -11.771  13.322  -8.500
 1194    HG3  GLN  44           HG1      GLN  44 -12.396  14.092  -9.957
 1195   HE21  GLN  44          HE21      GLN  44  -9.552  13.175  -8.185
 1196   HE22  GLN  44          HE22      GLN  44  -8.425  13.406  -9.474
 1197    H    LEU  45           HN       LEU  45 -12.221  16.418  -5.219
 1198    HA   LEU  45           HA       LEU  45 -12.322  19.151  -5.649
 1199    HB2  LEU  45           HB2      LEU  45 -13.738  18.217  -4.003
 1200    HB3  LEU  45           HB1      LEU  45 -12.395  17.491  -3.144
 1201    HG   LEU  45           HG       LEU  45 -11.718  20.070  -2.863
 1202   HD11  LEU  45          HD11      LEU  45 -14.728  20.080  -2.985
 1203   HD12  LEU  45          HD12      LEU  45 -13.639  20.908  -4.097
 1204   HD13  LEU  45          HD13      LEU  45 -13.713  21.400  -2.405
 1205   HD21  LEU  45          HD21      LEU  45 -11.870  18.588  -1.013
 1206   HD22  LEU  45          HD22      LEU  45 -13.620  18.443  -1.191
 1207   HD23  LEU  45          HD23      LEU  45 -12.911  19.967  -0.656
 1208    H    LEU  46           HN       LEU  46  -9.889  17.261  -3.869
 1209    HA   LEU  46           HA       LEU  46  -8.137  19.606  -4.009
 1210    HB2  LEU  46           HB2      LEU  46  -8.407  17.735  -1.664
 1211    HB3  LEU  46           HB1      LEU  46  -7.244  19.044  -1.790
 1212    HG   LEU  46           HG       LEU  46 -10.214  19.499  -1.917
 1213   HD11  LEU  46          HD11      LEU  46  -9.681  18.467   0.227
 1214   HD12  LEU  46          HD12      LEU  46 -10.130  20.162   0.415
 1215   HD13  LEU  46          HD13      LEU  46  -8.434  19.687   0.501
 1216   HD21  LEU  46          HD21      LEU  46  -7.914  21.345  -1.306
 1217   HD22  LEU  46          HD22      LEU  46  -9.618  21.792  -1.393
 1218   HD23  LEU  46          HD23      LEU  46  -8.772  21.255  -2.845
 1219    H    GLN  47           HN       GLN  47  -7.721  16.245  -2.876
 1220    HA   GLN  47           HA       GLN  47  -6.130  14.682  -3.387
 1221    HB2  GLN  47           HB2      GLN  47  -7.344  15.181  -5.681
 1222    HB3  GLN  47           HB1      GLN  47  -5.790  15.881  -6.108
 1223    HG2  GLN  47           HG2      GLN  47  -6.255  13.054  -5.193
 1224    HG3  GLN  47           HG1      GLN  47  -5.984  13.572  -6.854
 1225   HE21  GLN  47          HE21      GLN  47  -4.546  13.026  -3.747
 1226   HE22  GLN  47          HE22      GLN  47  -2.900  13.127  -4.262
 1227    H    ARG  48           HN       ARG  48  -5.098  16.654  -1.941
 1228    HA   ARG  48           HA       ARG  48  -2.368  16.751  -2.836
 1229    HB2  ARG  48           HB2      ARG  48  -2.256  19.276  -2.494
 1230    HB3  ARG  48           HB1      ARG  48  -2.997  18.709  -3.982
 1231    HG2  ARG  48           HG2      ARG  48  -5.205  19.075  -3.039
 1232    HG3  ARG  48           HG1      ARG  48  -4.477  19.609  -1.523
 1233    HD2  ARG  48           HD2      ARG  48  -3.399  21.464  -2.697
 1234    HD3  ARG  48           HD1      ARG  48  -4.121  20.927  -4.213
 1235    HE   ARG  48           HE       ARG  48  -6.173  21.321  -2.356
 1236   HH11  ARG  48          HH11      ARG  48  -3.803  23.175  -4.112
 1237   HH12  ARG  48          HH12      ARG  48  -4.770  24.611  -4.155
 1238   HH21  ARG  48          HH21      ARG  48  -7.453  23.207  -2.408
 1239   HH22  ARG  48          HH22      ARG  48  -6.844  24.630  -3.185
 1240    H    ASP   1           HT1      ASP   1   5.212 -16.120  16.399
 1241    HA   ASP   1           HA       ASP   1   6.343 -15.744  14.305
 1242    HB2  ASP   1           HB2      ASP   1   3.332 -15.460  14.151
 1243    HB3  ASP   1           HB1      ASP   1   4.373 -16.002  12.837
 1244    H    GLU   2           HN       GLU   2   6.952 -14.401  12.681
 1245    HA   GLU   2           HA       GLU   2   5.602 -11.992  12.010
 1246    HB2  GLU   2           HB2      GLU   2   7.182 -10.362  12.820
 1247    HB3  GLU   2           HB1      GLU   2   6.613 -11.315  14.183
 1248    HG2  GLU   2           HG2      GLU   2   9.232 -11.720  12.755
 1249    HG3  GLU   2           HG1      GLU   2   9.021 -10.855  14.276
 1250    H    ASP   3           HN       ASP   3   7.212 -14.472  11.070
 1251    HA   ASP   3           HA       ASP   3   9.261 -13.280   9.426
 1252    HB2  ASP   3           HB2      ASP   3   8.147 -16.093   9.395
 1253    HB3  ASP   3           HB1      ASP   3   9.605 -15.551   8.570
 1254    H    THR   4           HN       THR   4   8.507 -15.233   7.170
 1255    HA   THR   4           HA       THR   4   7.056 -13.311   5.652
 1256    HB   THR   4           HB       THR   4   7.148 -15.996   4.513
 1257    HG1  THR   4           HG1      THR   4   9.446 -15.917   4.244
 1258   HG21  THR   4          HG21      THR   4   6.625 -14.089   3.135
 1259   HG22  THR   4          HG22      THR   4   8.189 -14.734   2.633
 1260   HG23  THR   4          HG23      THR   4   8.114 -13.279   3.632
 1261    H    TYR   5           HN       TYR   5   5.055 -13.364   4.873
 1262    HA   TYR   5           HA       TYR   5   3.157 -15.203   6.167
 1263    HB2  TYR   5           HB2      TYR   5   3.036 -12.240   5.790
 1264    HB3  TYR   5           HB1      TYR   5   1.597 -13.212   6.089
 1265    HD1  TYR   5           HD1      TYR   5   1.507 -14.607   8.197
 1266    HD2  TYR   5           HD2      TYR   5   4.433 -11.588   7.562
 1267    HE1  TYR   5           HE1      TYR   5   1.943 -14.531  10.613
 1268    HE2  TYR   5           HE2      TYR   5   4.877 -11.499   9.977
 1269    HH   TYR   5           HH       TYR   5   3.961 -12.095  12.045
 1270    H    TYR   6           HN       TYR   6   1.091 -15.418   4.849
 1271    HA   TYR   6           HA       TYR   6   1.581 -14.733   2.036
 1272    HB2  TYR   6           HB2      TYR   6  -0.325 -16.879   3.004
 1273    HB3  TYR   6           HB1      TYR   6   0.290 -16.643   1.373
 1274    HD1  TYR   6           HD2      TYR   6   3.208 -16.190   2.172
 1275    HD2  TYR   6           HD1      TYR   6   0.366 -19.144   3.307
 1276    HE1  TYR   6           HE2      TYR   6   5.039 -17.759   2.614
 1277    HE2  TYR   6           HE1      TYR   6   2.192 -20.729   3.762
 1278    HH   TYR   6           HH       TYR   6   5.446 -19.782   3.957
 1279    H    LEU   7           HN       LEU   7   0.308 -13.390   1.050
 1280    HA   LEU   7           HA       LEU   7  -2.111 -12.430   2.443
 1281    HB2  LEU   7           HB2      LEU   7   0.183 -11.127   1.650
 1282    HB3  LEU   7           HB1      LEU   7  -0.906 -10.812   0.329
 1283    HG   LEU   7           HG       LEU   7  -2.111  -9.318   1.504
 1284   HD11  LEU   7          HD11      LEU   7  -1.966 -11.250   3.660
 1285   HD12  LEU   7          HD12      LEU   7  -3.247 -10.120   3.230
 1286   HD13  LEU   7          HD13      LEU   7  -1.882  -9.576   4.210
 1287   HD21  LEU   7          HD21      LEU   7  -0.694  -7.945   2.783
 1288   HD22  LEU   7          HD22      LEU   7   0.330  -8.770   1.603
 1289   HD23  LEU   7          HD23      LEU   7   0.297  -9.318   3.279
 1290    H    GLN   8           HN       GLN   8  -3.837 -13.474   1.472
 1291    HA   GLN   8           HA       GLN   8  -3.795 -13.956  -1.315
 1292    HB2  GLN   8           HB2      GLN   8  -5.089 -15.081   0.773
 1293    HB3  GLN   8           HB1      GLN   8  -6.369 -14.078   0.113
 1294    HG2  GLN   8           HG2      GLN   8  -5.681 -15.172  -2.134
 1295    HG3  GLN   8           HG1      GLN   8  -4.979 -16.403  -1.084
 1296   HE21  GLN   8          HE21      GLN   8  -6.397 -17.988  -1.633
 1297   HE22  GLN   8          HE22      GLN   8  -8.066 -17.962  -1.196
 1298    H    VAL   9           HN       VAL   9  -4.085 -12.492  -2.784
 1299    HA   VAL   9           HA       VAL   9  -5.937 -10.318  -2.182
 1300    HB   VAL   9           HB       VAL   9  -3.323 -10.225  -3.678
 1301   HG11  VAL   9          HG11      VAL   9  -3.835  -7.858  -4.196
 1302   HG12  VAL   9          HG12      VAL   9  -5.495  -8.146  -3.672
 1303   HG13  VAL   9          HG13      VAL   9  -4.842  -9.017  -5.061
 1304   HG21  VAL   9          HG21      VAL   9  -2.715  -8.543  -2.077
 1305   HG22  VAL   9          HG22      VAL   9  -3.313  -9.964  -1.220
 1306   HG23  VAL   9          HG23      VAL   9  -4.343  -8.544  -1.401
 1307    H    ARG  10           HN       ARG  10  -7.596 -10.034  -3.573
 1308    HA   ARG  10           HA       ARG  10  -7.631 -11.807  -5.913
 1309    HB2  ARG  10           HB2      ARG  10  -9.470 -11.894  -4.121
 1310    HB3  ARG  10           HB1      ARG  10 -10.008 -10.346  -4.755
 1311    HG2  ARG  10           HG2      ARG  10  -9.670 -12.678  -6.590
 1312    HG3  ARG  10           HG1      ARG  10 -11.112 -12.536  -5.586
 1313    HD2  ARG  10           HD2      ARG  10 -11.520 -10.299  -6.540
 1314    HD3  ARG  10           HD1      ARG  10 -10.115 -10.507  -7.583
 1315    HE   ARG  10           HE       ARG  10 -11.788 -12.679  -8.021
 1316   HH11  ARG  10          HH11      ARG  10 -11.867  -9.219  -8.426
 1317   HH12  ARG  10          HH12      ARG  10 -12.947  -9.273  -9.779
 1318   HH21  ARG  10          HH21      ARG  10 -13.210 -12.760  -9.801
 1319   HH22  ARG  10          HH22      ARG  10 -13.713 -11.286 -10.559
 1320    H    GLY  11           HN       GLY  11  -7.864 -11.095  -7.929
 1321    HA2  GLY  11           HA2      GLY  11  -8.360  -9.504  -9.611
 1322    HA3  GLY  11           HA1      GLY  11  -8.387  -8.246  -8.382
 1323    H    ARG  12           HN       ARG  12  -6.754  -9.217 -10.988
 1324    HA   ARG  12           HA       ARG  12  -4.063  -9.252 -10.351
 1325    HB2  ARG  12           HB2      ARG  12  -5.224  -9.590 -12.628
 1326    HB3  ARG  12           HB1      ARG  12  -5.098  -7.844 -12.799
 1327    HG2  ARG  12           HG2      ARG  12  -3.238  -8.745 -13.915
 1328    HG3  ARG  12           HG1      ARG  12  -2.625  -8.106 -12.389
 1329    HD2  ARG  12           HD2      ARG  12  -2.773 -10.396 -11.439
 1330    HD3  ARG  12           HD1      ARG  12  -3.229 -10.986 -13.036
 1331    HE   ARG  12           HE       ARG  12  -0.705  -9.535 -12.769
 1332   HH11  ARG  12          HH11      ARG  12  -2.384 -12.552 -13.242
 1333   HH12  ARG  12          HH12      ARG  12  -0.977 -13.394 -13.798
 1334   HH21  ARG  12          HH21      ARG  12   1.150 -10.635 -13.504
 1335   HH22  ARG  12          HH22      ARG  12   1.031 -12.305 -13.948
 1336    H    GLU  13           HN       GLU  13  -6.001  -6.327 -11.086
 1337    HA   GLU  13           HA       GLU  13  -3.960  -4.489 -10.911
 1338    HB2  GLU  13           HB2      GLU  13  -6.213  -3.914 -11.652
 1339    HB3  GLU  13           HB1      GLU  13  -6.832  -4.162 -10.026
 1340    HG2  GLU  13           HG2      GLU  13  -5.529  -2.289  -9.213
 1341    HG3  GLU  13           HG1      GLU  13  -4.822  -2.065 -10.813
 1342    H    ASN  14           HN       ASN  14  -5.951  -5.765  -8.266
 1343    HA   ASN  14           HA       ASN  14  -4.830  -4.194  -6.190
 1344    HB2  ASN  14           HB2      ASN  14  -6.109  -6.933  -6.020
 1345    HB3  ASN  14           HB1      ASN  14  -5.888  -5.799  -4.691
 1346   HD21  ASN  14          HD21      ASN  14  -8.149  -5.925  -4.342
 1347   HD22  ASN  14          HD22      ASN  14  -9.245  -5.025  -5.330
 1348    H    PHE  15           HN       PHE  15  -4.147  -7.457  -7.383
 1349    HA   PHE  15           HA       PHE  15  -2.206  -8.200  -5.537
 1350    HB2  PHE  15           HB2      PHE  15  -3.283  -9.714  -7.181
 1351    HB3  PHE  15           HB1      PHE  15  -2.332  -8.966  -8.459
 1352    HD1  PHE  15           HD2      PHE  15  -1.284  -9.943  -5.022
 1353    HD2  PHE  15           HD1      PHE  15  -0.948 -10.664  -9.211
 1354    HE1  PHE  15           HE2      PHE  15   0.523 -11.538  -4.596
 1355    HE2  PHE  15           HE1      PHE  15   0.890 -12.258  -8.776
 1356    HZ   PHE  15           HZ       PHE  15   1.617 -12.691  -6.460
 1357    H    GLU  16           HN       GLU  16  -1.829  -6.523  -8.642
 1358    HA   GLU  16           HA       GLU  16   1.001  -6.355  -8.613
 1359    HB2  GLU  16           HB2      GLU  16  -1.065  -4.607  -9.957
 1360    HB3  GLU  16           HB1      GLU  16   0.663  -4.530 -10.268
 1361    HG2  GLU  16           HG2      GLU  16  -1.086  -6.934 -10.733
 1362    HG3  GLU  16           HG1      GLU  16  -0.542  -5.806 -11.973
 1363    H    ILE  17           HN       ILE  17  -1.460  -4.011  -7.453
 1364    HA   ILE  17           HA       ILE  17   0.447  -2.046  -6.772
 1365    HB   ILE  17           HB       ILE  17  -2.396  -2.509  -6.186
 1366   HG12  ILE  17          HG12      ILE  17  -0.987   0.111  -6.582
 1367   HG13  ILE  17          HG11      ILE  17  -1.237  -0.981  -7.937
 1368   HG21  ILE  17          HG21      ILE  17  -1.579  -2.238  -3.902
 1369   HG22  ILE  17          HG22      ILE  17  -2.507  -0.824  -4.409
 1370   HG23  ILE  17          HG23      ILE  17  -0.743  -0.755  -4.372
 1371   HD11  ILE  17          HD11      ILE  17  -3.621  -0.854  -7.654
 1372   HD12  ILE  17          HD12      ILE  17  -2.952   0.779  -7.743
 1373   HD13  ILE  17          HD13      ILE  17  -3.430   0.106  -6.184
 1374    H    LEU  18           HN       LEU  18  -0.933  -4.750  -4.900
 1375    HA   LEU  18           HA       LEU  18   0.383  -4.008  -2.467
 1376    HB2  LEU  18           HB2      LEU  18  -1.196  -6.349  -3.444
 1377    HB3  LEU  18           HB1      LEU  18  -0.259  -6.483  -1.969
 1378    HG   LEU  18           HG       LEU  18  -1.910  -4.093  -1.982
 1379   HD11  LEU  18          HD11      LEU  18  -4.046  -5.305  -1.687
 1380   HD12  LEU  18          HD12      LEU  18  -3.254  -6.772  -2.258
 1381   HD13  LEU  18          HD13      LEU  18  -3.421  -5.387  -3.333
 1382   HD21  LEU  18          HD21      LEU  18  -0.869  -4.910   0.015
 1383   HD22  LEU  18          HD22      LEU  18  -1.623  -6.492  -0.182
 1384   HD23  LEU  18          HD23      LEU  18  -2.615  -5.082   0.190
 1385    H    MET  19           HN       MET  19   0.967  -6.313  -5.093
 1386    HA   MET  19           HA       MET  19   3.145  -7.630  -3.930
 1387    HB2  MET  19           HB2      MET  19   1.814  -8.114  -6.172
 1388    HB3  MET  19           HB1      MET  19   3.087  -7.149  -6.897
 1389    HG2  MET  19           HG2      MET  19   3.317  -9.783  -5.485
 1390    HG3  MET  19           HG1      MET  19   3.720  -9.386  -7.150
 1391    HE1  MET  19           HE1      MET  19   6.051 -10.957  -6.114
 1392    HE2  MET  19           HE2      MET  19   5.211 -10.821  -4.570
 1393    HE3  MET  19           HE3      MET  19   6.898 -10.327  -4.702
 1394    H    LYS  20           HN       LYS  20   3.090  -4.840  -6.101
 1395    HA   LYS  20           HA       LYS  20   5.826  -4.321  -6.208
 1396    HB2  LYS  20           HB2      LYS  20   3.688  -3.208  -7.337
 1397    HB3  LYS  20           HB1      LYS  20   3.922  -2.049  -6.036
 1398    HG2  LYS  20           HG2      LYS  20   6.180  -2.837  -7.836
 1399    HG3  LYS  20           HG1      LYS  20   5.028  -1.582  -8.295
 1400    HD2  LYS  20           HD2      LYS  20   5.554  -0.438  -6.128
 1401    HD3  LYS  20           HD1      LYS  20   6.844  -1.619  -5.890
 1402    HE2  LYS  20           HE2      LYS  20   6.625   0.146  -8.319
 1403    HE3  LYS  20           HE1      LYS  20   7.559   0.573  -6.887
 1404    HZ1  LYS  20           HZ1      LYS  20   8.894  -1.417  -7.211
 1405    HZ2  LYS  20           HZ2      LYS  20   8.949  -0.436  -8.588
 1406    HZ3  LYS  20           HZ3      LYS  20   7.991  -1.830  -8.582
 1407    H    LEU  21           HN       LEU  21   3.377  -3.472  -3.829
 1408    HA   LEU  21           HA       LEU  21   5.108  -1.859  -2.261
 1409    HB2  LEU  21           HB2      LEU  21   2.895  -1.331  -1.907
 1410    HB3  LEU  21           HB1      LEU  21   2.379  -3.005  -1.917
 1411    HG   LEU  21           HG       LEU  21   3.190  -3.329   0.337
 1412   HD11  LEU  21          HD11      LEU  21   3.823  -0.815   1.305
 1413   HD12  LEU  21          HD12      LEU  21   4.697  -0.930  -0.223
 1414   HD13  LEU  21          HD13      LEU  21   4.938  -2.151   1.024
 1415   HD21  LEU  21          HD21      LEU  21   0.963  -2.475   0.177
 1416   HD22  LEU  21          HD22      LEU  21   1.559  -0.826  -0.005
 1417   HD23  LEU  21          HD23      LEU  21   1.766  -1.672   1.528
 1418    H    LYS  22           HN       LYS  22   4.115  -5.256  -2.017
 1419    HA   LYS  22           HA       LYS  22   5.250  -5.890   0.420
 1420    HB2  LYS  22           HB2      LYS  22   3.944  -7.578  -0.509
 1421    HB3  LYS  22           HB1      LYS  22   4.684  -7.419  -2.093
 1422    HG2  LYS  22           HG2      LYS  22   6.462  -8.347   0.065
 1423    HG3  LYS  22           HG1      LYS  22   5.168  -9.450  -0.409
 1424    HD2  LYS  22           HD2      LYS  22   5.925  -9.069  -2.805
 1425    HD3  LYS  22           HD1      LYS  22   7.361  -8.304  -2.121
 1426    HE2  LYS  22           HE2      LYS  22   6.436 -11.130  -1.604
 1427    HE3  LYS  22           HE1      LYS  22   7.769 -10.653  -2.654
 1428    HZ1  LYS  22           HZ1      LYS  22   7.615 -10.266   0.285
 1429    HZ2  LYS  22           HZ2      LYS  22   8.867  -9.688  -0.694
 1430    HZ3  LYS  22           HZ3      LYS  22   8.618 -11.353  -0.537
 1431    H    GLU  23           HN       GLU  23   6.653  -5.672  -2.785
 1432    HA   GLU  23           HA       GLU  23   9.255  -6.541  -2.054
 1433    HB2  GLU  23           HB2      GLU  23   8.876  -6.675  -4.346
 1434    HB3  GLU  23           HB1      GLU  23   8.042  -5.131  -4.400
 1435    HG2  GLU  23           HG2      GLU  23  10.087  -3.932  -4.275
 1436    HG3  GLU  23           HG1      GLU  23  10.996  -5.404  -3.936
 1437    H    SER  24           HN       SER  24   7.813  -3.293  -2.366
 1438    HA   SER  24           HA       SER  24  10.124  -1.921  -1.698
 1439    HB2  SER  24           HB2      SER  24   8.746  -0.004  -1.214
 1440    HB3  SER  24           HB1      SER  24   8.048  -0.862  -2.587
 1441    HG   SER  24           HG       SER  24   6.304  -0.749  -1.403
 1442    H    LEU  25           HN       LEU  25   7.531  -3.060   0.477
 1443    HA   LEU  25           HA       LEU  25   8.630  -2.053   2.891
 1444    HB2  LEU  25           HB2      LEU  25   6.575  -4.073   2.151
 1445    HB3  LEU  25           HB1      LEU  25   7.213  -4.108   3.781
 1446    HG   LEU  25           HG       LEU  25   5.996  -1.640   2.549
 1447   HD11  LEU  25          HD11      LEU  25   4.715  -3.768   4.253
 1448   HD12  LEU  25          HD12      LEU  25   4.288  -3.329   2.600
 1449   HD13  LEU  25          HD13      LEU  25   4.006  -2.190   3.915
 1450   HD21  LEU  25          HD21      LEU  25   5.791  -0.933   4.887
 1451   HD22  LEU  25          HD22      LEU  25   7.474  -1.213   4.431
 1452   HD23  LEU  25          HD23      LEU  25   6.608  -2.410   5.400
 1453    H    GLU  26           HN       GLU  26   8.927  -5.230   1.330
 1454    HA   GLU  26           HA       GLU  26  10.393  -6.445   3.402
 1455    HB2  GLU  26           HB2      GLU  26   9.388  -7.228   0.920
 1456    HB3  GLU  26           HB1      GLU  26  11.126  -7.438   0.774
 1457    HG2  GLU  26           HG2      GLU  26   9.374  -8.627   2.912
 1458    HG3  GLU  26           HG1      GLU  26  10.044  -9.478   1.522
 1459    H    LEU  27           HN       LEU  27  11.450  -4.751   0.480
 1460    HA   LEU  27           HA       LEU  27  14.243  -5.117   0.804
 1461    HB2  LEU  27           HB2      LEU  27  12.561  -3.111  -0.652
 1462    HB3  LEU  27           HB1      LEU  27  14.312  -3.062  -0.664
 1463    HG   LEU  27           HG       LEU  27  12.829  -5.510  -1.571
 1464   HD11  LEU  27          HD11      LEU  27  11.942  -3.629  -2.846
 1465   HD12  LEU  27          HD12      LEU  27  12.976  -4.641  -3.854
 1466   HD13  LEU  27          HD13      LEU  27  13.582  -3.106  -3.230
 1467   HD21  LEU  27          HD21      LEU  27  15.542  -4.356  -2.224
 1468   HD22  LEU  27          HD22      LEU  27  14.874  -5.851  -2.881
 1469   HD23  LEU  27          HD23      LEU  27  15.227  -5.727  -1.158
 1470    H    MET  28           HN       MET  28  12.058  -2.733   2.331
 1471    HA   MET  28           HA       MET  28  14.004  -0.905   2.863
 1472    HB2  MET  28           HB2      MET  28  11.452  -1.583   4.200
 1473    HB3  MET  28           HB1      MET  28  12.581  -0.665   5.184
 1474    HG2  MET  28           HG2      MET  28  10.853   0.631   3.850
 1475    HG3  MET  28           HG1      MET  28  12.524   1.171   3.749
 1476    HE1  MET  28           HE1      MET  28  13.742   1.521   2.016
 1477    HE2  MET  28           HE2      MET  28  13.431   1.193   0.311
 1478    HE3  MET  28           HE3      MET  28  14.100  -0.068   1.342
 1479    H    GLU  29           HN       GLU  29  14.041  -4.058   4.017
 1480    HA   GLU  29           HA       GLU  29  15.642  -3.410   6.353
 1481    HB2  GLU  29           HB2      GLU  29  15.494  -5.668   6.950
 1482    HB3  GLU  29           HB1      GLU  29  13.924  -5.295   6.254
 1483    HG2  GLU  29           HG2      GLU  29  14.513  -6.383   4.201
 1484    HG3  GLU  29           HG1      GLU  29  16.168  -6.622   4.756
 1485    H    LEU  30           HN       LEU  30  16.133  -4.032   3.043
 1486    HA   LEU  30           HA       LEU  30  18.830  -5.044   3.485
 1487    HB2  LEU  30           HB2      LEU  30  18.615  -6.168   1.580
 1488    HB3  LEU  30           HB1      LEU  30  16.914  -5.783   1.696
 1489    HG   LEU  30           HG       LEU  30  18.899  -4.131   0.152
 1490   HD11  LEU  30          HD11      LEU  30  16.985  -6.247  -0.822
 1491   HD12  LEU  30          HD12      LEU  30  18.743  -6.382  -0.781
 1492   HD13  LEU  30          HD13      LEU  30  17.974  -5.202  -1.843
 1493   HD21  LEU  30          HD21      LEU  30  15.893  -4.161   0.197
 1494   HD22  LEU  30          HD22      LEU  30  16.875  -3.243  -0.943
 1495   HD23  LEU  30          HD23      LEU  30  16.944  -2.873   0.779
 1496    H    VAL  31           HN       VAL  31  17.410  -2.106   3.275
 1497    HA   VAL  31           HA       VAL  31  19.626  -0.892   1.800
 1498    HB   VAL  31           HB       VAL  31  17.615   0.881   3.013
 1499   HG11  VAL  31          HG11      VAL  31  19.249   0.689   0.575
 1500   HG12  VAL  31          HG12      VAL  31  18.902   2.074   1.612
 1501   HG13  VAL  31          HG13      VAL  31  17.710   1.531   0.434
 1502   HG21  VAL  31          HG21      VAL  31  16.850  -1.139   0.931
 1503   HG22  VAL  31          HG22      VAL  31  15.989   0.382   1.142
 1504   HG23  VAL  31          HG23      VAL  31  16.048  -0.788   2.460
 1505    HA   PRO  32           HA       PRO  32  21.935  -0.397   5.562
 1506    HB2  PRO  32           HB2      PRO  32  22.676   2.152   4.152
 1507    HB3  PRO  32           HB1      PRO  32  23.716   1.016   5.021
 1508    HG2  PRO  32           HG2      PRO  32  23.574   0.991   2.351
 1509    HG3  PRO  32           HG1      PRO  32  23.733  -0.509   3.282
 1510    HD2  PRO  32           HD2      PRO  32  21.394   0.559   1.817
 1511    HD3  PRO  32           HD1      PRO  32  21.790  -1.119   2.243
 1512    H    GLN  33           HN       GLN  33  21.118   0.336   7.436
 1513    HA   GLN  33           HA       GLN  33  18.904   1.934   7.715
 1514    HB2  GLN  33           HB2      GLN  33  19.576   0.544   9.524
 1515    HB3  GLN  33           HB1      GLN  33  21.124   1.362   9.669
 1516    HG2  GLN  33           HG2      GLN  33  19.721   2.075  11.459
 1517    HG3  GLN  33           HG1      GLN  33  19.919   3.420  10.334
 1518   HE21  GLN  33          HE21      GLN  33  17.727   1.048  11.614
 1519   HE22  GLN  33          HE22      GLN  33  16.277   1.757  10.999
 1520    HA   PRO  34           HA       PRO  34  21.848   5.720   8.754
 1521    HB2  PRO  34           HB2      PRO  34  24.051   5.099   6.862
 1522    HB3  PRO  34           HB1      PRO  34  24.120   5.809   8.478
 1523    HG2  PRO  34           HG2      PRO  34  24.879   3.291   8.069
 1524    HG3  PRO  34           HG1      PRO  34  23.989   3.748   9.534
 1525    HD2  PRO  34           HD2      PRO  34  23.001   2.371   7.067
 1526    HD3  PRO  34           HD1      PRO  34  22.602   2.060   8.768
 1527    H    LEU  35           HN       LEU  35  21.566   4.171   5.617
 1528    HA   LEU  35           HA       LEU  35  21.575   6.635   4.131
 1529    HB2  LEU  35           HB2      LEU  35  22.480   4.557   3.190
 1530    HB3  LEU  35           HB1      LEU  35  20.910   3.796   3.337
 1531    HG   LEU  35           HG       LEU  35  20.007   5.359   1.679
 1532   HD11  LEU  35          HD11      LEU  35  21.478   7.253   2.068
 1533   HD12  LEU  35          HD12      LEU  35  21.494   6.771   0.371
 1534   HD13  LEU  35          HD13      LEU  35  22.839   6.333   1.426
 1535   HD21  LEU  35          HD21      LEU  35  22.463   3.864   0.795
 1536   HD22  LEU  35          HD22      LEU  35  21.176   4.434  -0.268
 1537   HD23  LEU  35          HD23      LEU  35  20.835   3.205   0.951
 1538    H    VAL  36           HN       VAL  36  19.227   4.422   5.479
 1539    HA   VAL  36           HA       VAL  36  16.952   5.595   4.149
 1540    HB   VAL  36           HB       VAL  36  17.139   3.780   6.571
 1541   HG11  VAL  36          HG11      VAL  36  14.686   3.515   6.337
 1542   HG12  VAL  36          HG12      VAL  36  14.688   4.825   5.155
 1543   HG13  VAL  36          HG13      VAL  36  15.163   5.142   6.824
 1544   HG21  VAL  36          HG21      VAL  36  17.731   2.735   4.442
 1545   HG22  VAL  36          HG22      VAL  36  16.196   3.264   3.750
 1546   HG23  VAL  36          HG23      VAL  36  16.213   2.090   5.068
 1547    H    ASP  37           HN       ASP  37  18.611   6.035   7.225
 1548    HA   ASP  37           HA       ASP  37  16.785   7.797   8.412
 1549    HB2  ASP  37           HB2      ASP  37  18.696   6.824   9.630
 1550    HB3  ASP  37           HB1      ASP  37  19.808   7.767   8.642
 1551    H    SER  38           HN       SER  38  19.523   8.378   6.183
 1552    HA   SER  38           HA       SER  38  19.362  11.159   6.127
 1553    HB2  SER  38           HB2      SER  38  20.133   9.280   3.878
 1554    HB3  SER  38           HB1      SER  38  20.490  11.006   3.933
 1555    HG   SER  38           HG       SER  38  22.248   9.710   4.654
 1556    H    TYR  39           HN       TYR  39  17.655   8.758   4.120
 1557    HA   TYR  39           HA       TYR  39  16.279  10.584   2.495
 1558    HB2  TYR  39           HB2      TYR  39  16.066   8.422   1.702
 1559    HB3  TYR  39           HB1      TYR  39  15.829   7.743   3.311
 1560    HD1  TYR  39           HD1      TYR  39  14.160   9.714   0.647
 1561    HD2  TYR  39           HD2      TYR  39  13.661   7.353   4.149
 1562    HE1  TYR  39           HE1      TYR  39  11.732   9.702   0.287
 1563    HE2  TYR  39           HE2      TYR  39  11.239   7.336   3.802
 1564    HH   TYR  39           HH       TYR  39   9.529   8.697   2.654
 1565    H    ARG  40           HN       ARG  40  15.438   9.130   5.604
 1566    HA   ARG  40           HA       ARG  40  12.874  10.158   5.900
 1567    HB2  ARG  40           HB2      ARG  40  14.993   9.553   7.967
 1568    HB3  ARG  40           HB1      ARG  40  13.338   9.984   8.380
 1569    HG2  ARG  40           HG2      ARG  40  12.532   8.027   7.146
 1570    HG3  ARG  40           HG1      ARG  40  14.200   7.590   6.771
 1571    HD2  ARG  40           HD2      ARG  40  14.681   7.377   9.158
 1572    HD3  ARG  40           HD1      ARG  40  13.018   7.823   9.536
 1573    HE   ARG  40           HE       ARG  40  13.097   5.583   7.799
 1574   HH11  ARG  40          HH11      ARG  40  13.584   6.517  11.121
 1575   HH12  ARG  40          HH12      ARG  40  13.189   4.954  11.752
 1576   HH21  ARG  40          HH21      ARG  40  12.575   3.522   8.622
 1577   HH22  ARG  40          HH22      ARG  40  12.615   3.252  10.332
 1578    H    GLN  41           HN       GLN  41  15.999  11.668   6.393
 1579    HA   GLN  41           HA       GLN  41  15.050  14.033   7.661
 1580    HB2  GLN  41           HB2      GLN  41  17.417  13.387   7.724
 1581    HB3  GLN  41           HB1      GLN  41  17.525  13.569   5.979
 1582    HG2  GLN  41           HG2      GLN  41  17.120  15.943   6.167
 1583    HG3  GLN  41           HG1      GLN  41  16.899  15.791   7.909
 1584   HE21  GLN  41          HE21      GLN  41  18.689  15.424   9.222
 1585   HE22  GLN  41          HE22      GLN  41  20.303  15.694   8.669
 1586    H    GLN  42           HN       GLN  42  15.750  13.180   4.294
 1587    HA   GLN  42           HA       GLN  42  15.056  15.655   3.150
 1588    HB2  GLN  42           HB2      GLN  42  16.316  14.044   1.874
 1589    HB3  GLN  42           HB1      GLN  42  15.038  12.848   2.026
 1590    HG2  GLN  42           HG2      GLN  42  13.585  14.164   0.623
 1591    HG3  GLN  42           HG1      GLN  42  14.788  15.450   0.537
 1592   HE21  GLN  42          HE21      GLN  42  14.910  15.333  -1.698
 1593   HE22  GLN  42          HE22      GLN  42  15.687  14.024  -2.515
 1594    H    GLN  43           HN       GLN  43  13.211  13.015   4.352
 1595    HA   GLN  43           HA       GLN  43  10.740  13.685   3.048
 1596    HB2  GLN  43           HB2      GLN  43  11.176  11.390   3.696
 1597    HB3  GLN  43           HB1      GLN  43  11.413  11.867   5.370
 1598    HG2  GLN  43           HG2      GLN  43   9.005  12.650   5.336
 1599    HG3  GLN  43           HG1      GLN  43   8.863  11.794   3.802
 1600   HE21  GLN  43          HE21      GLN  43   9.014   9.543   3.771
 1601   HE22  GLN  43          HE22      GLN  43   8.824   8.596   5.203
 1602    H    GLN  44           HN       GLN  44  12.105  14.080   6.292
 1603    HA   GLN  44           HA       GLN  44   9.900  15.329   7.483
 1604    HB2  GLN  44           HB2      GLN  44  12.853  15.508   8.079
 1605    HB3  GLN  44           HB1      GLN  44  11.626  16.278   9.076
 1606    HG2  GLN  44           HG2      GLN  44  11.761  13.332   8.495
 1607    HG3  GLN  44           HG1      GLN  44  12.385  14.102   9.953
 1608   HE21  GLN  44          HE21      GLN  44   9.543  13.181   8.180
 1609   HE22  GLN  44          HE22      GLN  44   8.415  13.412   9.467
 1610    H    LEU  45           HN       LEU  45  12.209  16.427   5.214
 1611    HA   LEU  45           HA       LEU  45  12.308  19.160   5.642
 1612    HB2  LEU  45           HB2      LEU  45  13.726  18.227   3.997
 1613    HB3  LEU  45           HB1      LEU  45  12.384  17.500   3.138
 1614    HG   LEU  45           HG       LEU  45  11.705  20.078   2.856
 1615   HD11  LEU  45          HD11      LEU  45  14.715  20.089   2.979
 1616   HD12  LEU  45          HD12      LEU  45  13.625  20.917   4.091
 1617   HD13  LEU  45          HD13      LEU  45  13.700  21.408   2.399
 1618   HD21  LEU  45          HD21      LEU  45  11.858  18.596   1.007
 1619   HD22  LEU  45          HD22      LEU  45  13.608  18.452   1.186
 1620   HD23  LEU  45          HD23      LEU  45  12.899  19.975   0.650
 1621    H    LEU  46           HN       LEU  46   9.878  17.268   3.863
 1622    HA   LEU  46           HA       LEU  46   8.124  19.612   4.001
 1623    HB2  LEU  46           HB2      LEU  46   8.397  17.741   1.657
 1624    HB3  LEU  46           HB1      LEU  46   7.233  19.049   1.781
 1625    HG   LEU  46           HG       LEU  46  10.203  19.507   1.911
 1626   HD11  LEU  46          HD11      LEU  46   9.672  18.474  -0.234
 1627   HD12  LEU  46          HD12      LEU  46  10.119  20.169  -0.422
 1628   HD13  LEU  46          HD13      LEU  46   8.424  19.692  -0.508
 1629   HD21  LEU  46          HD21      LEU  46   7.901  21.350   1.299
 1630   HD22  LEU  46          HD22      LEU  46   9.605  21.799   1.386
 1631   HD23  LEU  46          HD23      LEU  46   8.759  21.261   2.838
 1632    H    GLN  47           HN       GLN  47   7.711  16.249   2.868
 1633    HA   GLN  47           HA       GLN  47   6.121  14.686   3.380
 1634    HB2  GLN  47           HB2      GLN  47   7.334  15.187   5.674
 1635    HB3  GLN  47           HB1      GLN  47   5.779  15.886   6.101
 1636    HG2  GLN  47           HG2      GLN  47   6.246  13.058   5.187
 1637    HG3  GLN  47           HG1      GLN  47   5.974  13.578   6.848
 1638   HE21  GLN  47          HE21      GLN  47   4.539  13.030   3.740
 1639   HE22  GLN  47          HE22      GLN  47   2.893  13.130   4.254
 1640    H    ARG  48           HN       ARG  48   5.087  16.657   1.933
 1641    HA   ARG  48           HA       ARG  48   2.357  16.753   2.828
 1642    HB2  ARG  48           HB2      ARG  48   2.244  19.278   2.485
 1643    HB3  ARG  48           HB1      ARG  48   2.986  18.711   3.974
 1644    HG2  ARG  48           HG2      ARG  48   5.194  19.079   3.030
 1645    HG3  ARG  48           HG1      ARG  48   4.465  19.612   1.514
 1646    HD2  ARG  48           HD2      ARG  48   3.385  21.466   2.686
 1647    HD3  ARG  48           HD1      ARG  48   4.107  20.931   4.203
 1648    HE   ARG  48           HE       ARG  48   6.159  21.325   2.345
 1649   HH11  ARG  48          HH11      ARG  48   3.787  23.178   4.102
 1650   HH12  ARG  48          HH12      ARG  48   4.754  24.615   4.145
 1651   HH21  ARG  48          HH21      ARG  48   7.437  23.213   2.396
 1652   HH22  ARG  48          HH22      ARG  48   6.828  24.634   3.176
  Start of MODEL   12
    1    H    ASP   1           HT1      ASP   1  -6.944 -14.793 -15.804
    2    HA   ASP   1           HA       ASP   1  -5.518 -15.794 -14.163
    3    HB2  ASP   1           HB2      ASP   1  -3.268 -14.696 -15.867
    4    HB3  ASP   1           HB1      ASP   1  -3.085 -15.494 -14.307
    5    H    GLU   2           HN       GLU   2  -6.673 -14.256 -13.011
    6    HA   GLU   2           HA       GLU   2  -5.177 -11.981 -12.146
    7    HB2  GLU   2           HB2      GLU   2  -6.800 -10.257 -12.799
    8    HB3  GLU   2           HB1      GLU   2  -6.080 -11.029 -14.205
    9    HG2  GLU   2           HG2      GLU   2  -8.068 -12.368 -14.528
   10    HG3  GLU   2           HG1      GLU   2  -8.786 -11.693 -13.066
   11    H    ASP   3           HN       ASP   3  -6.979 -14.438 -11.404
   12    HA   ASP   3           HA       ASP   3  -9.004 -13.296  -9.743
   13    HB2  ASP   3           HB2      ASP   3  -7.832 -16.083  -9.661
   14    HB3  ASP   3           HB1      ASP   3  -9.340 -15.566  -8.914
   15    H    THR   4           HN       THR   4  -8.298 -15.218  -7.456
   16    HA   THR   4           HA       THR   4  -6.906 -13.260  -5.931
   17    HB   THR   4           HB       THR   4  -7.000 -15.913  -4.728
   18    HG1  THR   4           HG1      THR   4  -9.284 -15.903  -4.534
   19   HG21  THR   4          HG21      THR   4  -7.978 -13.167  -3.967
   20   HG22  THR   4          HG22      THR   4  -6.527 -13.988  -3.380
   21   HG23  THR   4          HG23      THR   4  -8.123 -14.584  -2.924
   22    H    TYR   5           HN       TYR   5  -4.965 -13.338  -5.024
   23    HA   TYR   5           HA       TYR   5  -2.968 -15.101  -6.279
   24    HB2  TYR   5           HB2      TYR   5  -2.983 -12.147  -5.858
   25    HB3  TYR   5           HB1      TYR   5  -1.488 -13.054  -6.077
   26    HD1  TYR   5           HD2      TYR   5  -1.285 -14.499  -8.179
   27    HD2  TYR   5           HD1      TYR   5  -4.228 -11.465  -7.712
   28    HE1  TYR   5           HE2      TYR   5  -1.582 -14.421 -10.616
   29    HE2  TYR   5           HE1      TYR   5  -4.531 -11.374 -10.148
   30    HH   TYR   5           HH       TYR   5  -3.526 -11.983 -12.158
   31    H    TYR   6           HN       TYR   6  -0.972 -15.279  -4.927
   32    HA   TYR   6           HA       TYR   6  -1.541 -14.690  -2.102
   33    HB2  TYR   6           HB2      TYR   6   0.385 -16.817  -3.066
   34    HB3  TYR   6           HB1      TYR   6  -0.263 -16.606  -1.446
   35    HD1  TYR   6           HD1      TYR   6  -3.164 -16.172  -2.230
   36    HD2  TYR   6           HD2      TYR   6  -0.294 -19.051  -3.480
   37    HE1  TYR   6           HE1      TYR   6  -4.978 -17.745  -2.729
   38    HE2  TYR   6           HE2      TYR   6  -2.102 -20.637  -3.990
   39    HH   TYR   6           HH       TYR   6  -5.370 -19.717  -4.140
   40    H    LEU   7           HN       LEU   7  -0.280 -13.409  -1.044
   41    HA   LEU   7           HA       LEU   7   2.155 -12.384  -2.375
   42    HB2  LEU   7           HB2      LEU   7  -0.163 -11.116  -1.529
   43    HB3  LEU   7           HB1      LEU   7   0.955 -10.812  -0.230
   44    HG   LEU   7           HG       LEU   7   2.074  -9.251  -1.389
   45   HD11  LEU   7          HD11      LEU   7   1.945  -9.470  -4.086
   46   HD12  LEU   7          HD12      LEU   7   1.994 -11.167  -3.588
   47   HD13  LEU   7          HD13      LEU   7   3.272 -10.067  -3.083
   48   HD21  LEU   7          HD21      LEU   7  -0.264  -8.613  -1.512
   49   HD22  LEU   7          HD22      LEU   7  -0.410  -9.428  -3.070
   50   HD23  LEU   7          HD23      LEU   7   0.637  -8.017  -2.907
   51    H    GLN   8           HN       GLN   8   3.934 -13.268  -1.373
   52    HA   GLN   8           HA       GLN   8   3.715 -13.993   1.405
   53    HB2  GLN   8           HB2      GLN   8   4.991 -15.212  -0.603
   54    HB3  GLN   8           HB1      GLN   8   6.298 -14.195  -0.037
   55    HG2  GLN   8           HG2      GLN   8   5.610 -15.203   2.290
   56    HG3  GLN   8           HG1      GLN   8   4.988 -16.494   1.264
   57   HE21  GLN   8          HE21      GLN   8   6.465 -18.018   1.823
   58   HE22  GLN   8          HE22      GLN   8   8.148 -17.915   1.434
   59    H    VAL   9           HN       VAL   9   4.078 -12.578   2.920
   60    HA   VAL   9           HA       VAL   9   5.963 -10.416   2.364
   61    HB   VAL   9           HB       VAL   9   3.267 -10.228   3.690
   62   HG11  VAL   9          HG11      VAL   9   5.469  -8.175   3.686
   63   HG12  VAL   9          HG12      VAL   9   4.783  -8.997   5.088
   64   HG13  VAL   9          HG13      VAL   9   3.798  -7.866   4.161
   65   HG21  VAL   9          HG21      VAL   9   4.451  -8.675   1.397
   66   HG22  VAL   9          HG22      VAL   9   2.788  -8.610   1.980
   67   HG23  VAL   9          HG23      VAL   9   3.400 -10.080   1.223
   68    H    ARG  10           HN       ARG  10   7.506 -10.098   3.833
   69    HA   ARG  10           HA       ARG  10   7.391 -11.798   6.220
   70    HB2  ARG  10           HB2      ARG  10   9.340 -11.877   4.534
   71    HB3  ARG  10           HB1      ARG  10   9.834 -10.341   5.233
   72    HG2  ARG  10           HG2      ARG  10   9.316 -12.607   7.075
   73    HG3  ARG  10           HG1      ARG  10  10.787 -12.639   6.099
   74    HD2  ARG  10           HD2      ARG  10  11.356 -10.389   6.954
   75    HD3  ARG  10           HD1      ARG  10   9.928 -10.447   7.985
   76    HE   ARG  10           HE       ARG  10  11.465 -12.718   8.507
   77   HH11  ARG  10          HH11      ARG  10  11.659  -9.258   8.875
   78   HH12  ARG  10          HH12      ARG  10  12.686  -9.335  10.267
   79   HH21  ARG  10          HH21      ARG  10  12.817 -12.828  10.339
   80   HH22  ARG  10          HH22      ARG  10  13.345 -11.364  11.099
   81    H    GLY  11           HN       GLY  11   7.757 -11.049   8.270
   82    HA2  GLY  11           HA2      GLY  11   8.048  -9.442   9.942
   83    HA3  GLY  11           HA1      GLY  11   8.211  -8.213   8.696
   84    H    ARG  12           HN       ARG  12   6.380  -9.016  11.209
   85    HA   ARG  12           HA       ARG  12   3.739  -9.010  10.416
   86    HB2  ARG  12           HB2      ARG  12   4.819  -9.253  12.763
   87    HB3  ARG  12           HB1      ARG  12   4.613  -7.509  12.858
   88    HG2  ARG  12           HG2      ARG  12   2.734  -8.484  13.907
   89    HG3  ARG  12           HG1      ARG  12   2.184  -7.870  12.348
   90    HD2  ARG  12           HD2      ARG  12   2.248 -10.075  11.396
   91    HD3  ARG  12           HD1      ARG  12   2.980 -10.728  12.860
   92    HE   ARG  12           HE       ARG  12   0.758  -9.883  13.908
   93   HH11  ARG  12          HH11      ARG  12   1.145 -11.301  10.749
   94   HH12  ARG  12          HH12      ARG  12  -0.445 -11.985  10.720
   95   HH21  ARG  12          HH21      ARG  12  -1.338 -10.780  13.876
   96   HH22  ARG  12          HH22      ARG  12  -1.857 -11.688  12.496
   97    H    GLU  13           HN       GLU  13   5.706  -6.183  11.188
   98    HA   GLU  13           HA       GLU  13   3.804  -4.206  10.880
   99    HB2  GLU  13           HB2      GLU  13   6.074  -3.756  11.691
  100    HB3  GLU  13           HB1      GLU  13   6.717  -4.046  10.081
  101    HG2  GLU  13           HG2      GLU  13   5.641  -2.101   9.219
  102    HG3  GLU  13           HG1      GLU  13   4.744  -1.869  10.720
  103    H    ASN  14           HN       ASN  14   5.799  -5.680   8.348
  104    HA   ASN  14           HA       ASN  14   4.833  -4.079   6.199
  105    HB2  ASN  14           HB2      ASN  14   5.920  -6.855   5.874
  106    HB3  ASN  14           HB1      ASN  14   6.122  -5.453   4.829
  107   HD21  ASN  14          HD21      ASN  14   7.551  -3.779   5.503
  108   HD22  ASN  14          HD22      ASN  14   8.842  -4.117   6.599
  109    H    PHE  15           HN       PHE  15   3.967  -7.292   7.455
  110    HA   PHE  15           HA       PHE  15   2.088  -7.900   5.464
  111    HB2  PHE  15           HB2      PHE  15   3.137  -9.576   6.948
  112    HB3  PHE  15           HB1      PHE  15   2.289  -8.889   8.325
  113    HD1  PHE  15           HD2      PHE  15   1.216  -9.907   4.894
  114    HD2  PHE  15           HD1      PHE  15   0.720 -10.346   9.102
  115    HE1  PHE  15           HE2      PHE  15  -0.635 -11.465   4.509
  116    HE2  PHE  15           HE1      PHE  15  -1.155 -11.902   8.712
  117    HZ   PHE  15           HZ       PHE  15  -1.828 -12.460   6.410
  118    H    GLU  16           HN       GLU  16   1.581  -6.595   8.754
  119    HA   GLU  16           HA       GLU  16  -1.171  -6.359   8.620
  120    HB2  GLU  16           HB2      GLU  16   0.798  -4.589  10.077
  121    HB3  GLU  16           HB1      GLU  16  -0.938  -4.580  10.353
  122    HG2  GLU  16           HG2      GLU  16   0.898  -6.926  10.782
  123    HG3  GLU  16           HG1      GLU  16   0.243  -5.880  12.041
  124    H    ILE  17           HN       ILE  17   1.274  -4.190   7.353
  125    HA   ILE  17           HA       ILE  17  -0.535  -2.016   6.803
  126    HB   ILE  17           HB       ILE  17   2.307  -2.575   6.278
  127   HG12  ILE  17          HG12      ILE  17   0.955   0.073   6.694
  128   HG13  ILE  17          HG11      ILE  17   1.194  -1.042   8.032
  129   HG21  ILE  17          HG21      ILE  17   0.758  -0.765   4.430
  130   HG22  ILE  17          HG22      ILE  17   1.613  -2.242   3.976
  131   HG23  ILE  17          HG23      ILE  17   2.518  -0.838   4.550
  132   HD11  ILE  17          HD11      ILE  17   3.628  -0.980   7.528
  133   HD12  ILE  17          HD12      ILE  17   2.944   0.571   8.025
  134   HD13  ILE  17          HD13      ILE  17   3.284   0.263   6.323
  135    H    LEU  18           HN       LEU  18   0.741  -4.779   4.998
  136    HA   LEU  18           HA       LEU  18  -0.496  -4.061   2.482
  137    HB2  LEU  18           HB2      LEU  18   1.058  -6.393   3.540
  138    HB3  LEU  18           HB1      LEU  18   0.224  -6.476   2.001
  139    HG   LEU  18           HG       LEU  18   2.070  -4.186   2.444
  140   HD11  LEU  18          HD11      LEU  18   4.017  -5.409   1.987
  141   HD12  LEU  18          HD12      LEU  18   3.108  -6.857   1.567
  142   HD13  LEU  18          HD13      LEU  18   3.195  -6.330   3.247
  143   HD21  LEU  18          HD21      LEU  18   0.782  -4.318   0.399
  144   HD22  LEU  18          HD22      LEU  18   1.383  -5.947   0.095
  145   HD23  LEU  18          HD23      LEU  18   2.491  -4.576   0.049
  146    H    MET  19           HN       MET  19  -1.298  -5.991   5.306
  147    HA   MET  19           HA       MET  19  -3.368  -7.455   3.991
  148    HB2  MET  19           HB2      MET  19  -1.995  -7.945   6.267
  149    HB3  MET  19           HB1      MET  19  -3.383  -7.132   6.969
  150    HG2  MET  19           HG2      MET  19  -3.338  -9.687   5.401
  151    HG3  MET  19           HG1      MET  19  -3.777  -9.450   7.085
  152    HE1  MET  19           HE1      MET  19  -7.006 -10.604   5.042
  153    HE2  MET  19           HE2      MET  19  -5.993 -11.015   6.425
  154    HE3  MET  19           HE3      MET  19  -5.315 -11.046   4.796
  155    H    LYS  20           HN       LYS  20  -3.282  -4.555   6.079
  156    HA   LYS  20           HA       LYS  20  -6.099  -4.237   6.154
  157    HB2  LYS  20           HB2      LYS  20  -4.926  -2.864   7.667
  158    HB3  LYS  20           HB1      LYS  20  -3.781  -2.340   6.436
  159    HG2  LYS  20           HG2      LYS  20  -5.035  -0.554   6.010
  160    HG3  LYS  20           HG1      LYS  20  -6.399  -1.588   5.606
  161    HD2  LYS  20           HD2      LYS  20  -7.098  -1.670   7.850
  162    HD3  LYS  20           HD1      LYS  20  -5.642  -0.837   8.393
  163    HE2  LYS  20           HE2      LYS  20  -7.390   0.774   8.385
  164    HE3  LYS  20           HE1      LYS  20  -6.365   1.119   6.995
  165    HZ1  LYS  20           HZ1      LYS  20  -7.953  -0.028   5.582
  166    HZ2  LYS  20           HZ2      LYS  20  -8.704   1.237   6.415
  167    HZ3  LYS  20           HZ3      LYS  20  -8.939  -0.361   6.916
  168    H    LEU  21           HN       LEU  21  -3.566  -3.599   3.956
  169    HA   LEU  21           HA       LEU  21  -5.045  -1.841   2.262
  170    HB2  LEU  21           HB2      LEU  21  -2.470  -2.096   2.549
  171    HB3  LEU  21           HB1      LEU  21  -2.627  -3.416   1.410
  172    HG   LEU  21           HG       LEU  21  -2.972  -0.487   0.969
  173   HD11  LEU  21          HD11      LEU  21  -1.375  -0.764  -0.691
  174   HD12  LEU  21          HD12      LEU  21  -1.657  -2.499  -0.802
  175   HD13  LEU  21          HD13      LEU  21  -0.835  -1.830   0.606
  176   HD21  LEU  21          HD21      LEU  21  -4.999  -1.354   0.032
  177   HD22  LEU  21          HD22      LEU  21  -4.125  -2.661  -0.763
  178   HD23  LEU  21          HD23      LEU  21  -3.882  -0.993  -1.282
  179    H    LYS  22           HN       LYS  22  -4.271  -5.280   2.279
  180    HA   LYS  22           HA       LYS  22  -5.310  -5.955  -0.222
  181    HB2  LYS  22           HB2      LYS  22  -4.084  -7.644   0.838
  182    HB3  LYS  22           HB1      LYS  22  -4.904  -7.410   2.374
  183    HG2  LYS  22           HG2      LYS  22  -6.986  -8.308   1.157
  184    HG3  LYS  22           HG1      LYS  22  -5.837  -8.888  -0.051
  185    HD2  LYS  22           HD2      LYS  22  -4.899 -10.415   1.376
  186    HD3  LYS  22           HD1      LYS  22  -5.286  -9.468   2.814
  187    HE2  LYS  22           HE2      LYS  22  -7.182 -11.115   1.149
  188    HE3  LYS  22           HE1      LYS  22  -6.652 -11.440   2.799
  189    HZ1  LYS  22           HZ1      LYS  22  -8.225  -9.065   1.967
  190    HZ2  LYS  22           HZ2      LYS  22  -7.796  -9.481   3.549
  191    HZ3  LYS  22           HZ3      LYS  22  -8.880 -10.450   2.685
  192    H    GLU  23           HN       GLU  23  -6.758  -5.513   2.941
  193    HA   GLU  23           HA       GLU  23  -9.385  -6.322   2.223
  194    HB2  GLU  23           HB2      GLU  23  -8.349  -4.578   4.464
  195    HB3  GLU  23           HB1      GLU  23 -10.036  -5.042   4.296
  196    HG2  GLU  23           HG2      GLU  23  -9.476  -7.365   4.565
  197    HG3  GLU  23           HG1      GLU  23  -7.757  -6.985   4.578
  198    H    SER  24           HN       SER  24  -7.859  -3.080   2.467
  199    HA   SER  24           HA       SER  24 -10.076  -1.614   1.683
  200    HB2  SER  24           HB2      SER  24  -8.533   0.171   1.159
  201    HB3  SER  24           HB1      SER  24  -8.000  -0.659   2.617
  202    HG   SER  24           HG       SER  24  -6.194  -0.536   1.440
  203    H    LEU  25           HN       LEU  25  -7.562  -3.069  -0.389
  204    HA   LEU  25           HA       LEU  25  -8.543  -2.012  -2.864
  205    HB2  LEU  25           HB2      LEU  25  -6.633  -4.166  -2.055
  206    HB3  LEU  25           HB1      LEU  25  -7.197  -4.096  -3.709
  207    HG   LEU  25           HG       LEU  25  -5.847  -1.773  -2.338
  208   HD11  LEU  25          HD11      LEU  25  -4.289  -3.612  -2.370
  209   HD12  LEU  25          HD12      LEU  25  -3.837  -2.442  -3.609
  210   HD13  LEU  25          HD13      LEU  25  -4.654  -3.937  -4.064
  211   HD21  LEU  25          HD21      LEU  25  -5.572  -0.883  -4.526
  212   HD22  LEU  25          HD22      LEU  25  -7.270  -1.340  -4.359
  213   HD23  LEU  25          HD23      LEU  25  -6.162  -2.371  -5.273
  214    H    GLU  26           HN       GLU  26  -8.934  -5.119  -1.232
  215    HA   GLU  26           HA       GLU  26 -10.593  -6.148  -3.307
  216    HB2  GLU  26           HB2      GLU  26 -10.146  -7.100  -0.474
  217    HB3  GLU  26           HB1      GLU  26 -11.189  -7.944  -1.610
  218    HG2  GLU  26           HG2      GLU  26  -9.201  -8.103  -3.143
  219    HG3  GLU  26           HG1      GLU  26  -8.223  -7.512  -1.801
  220    H    LEU  27           HN       LEU  27 -11.239  -4.433  -0.309
  221    HA   LEU  27           HA       LEU  27 -14.068  -4.863  -0.366
  222    HB2  LEU  27           HB2      LEU  27 -12.252  -3.019   1.145
  223    HB3  LEU  27           HB1      LEU  27 -13.986  -2.775   1.185
  224    HG   LEU  27           HG       LEU  27 -12.684  -5.378   1.968
  225   HD11  LEU  27          HD11      LEU  27 -13.520  -3.084   3.735
  226   HD12  LEU  27          HD12      LEU  27 -11.865  -3.613   3.430
  227   HD13  LEU  27          HD13      LEU  27 -12.985  -4.671   4.286
  228   HD21  LEU  27          HD21      LEU  27 -15.428  -4.225   2.459
  229   HD22  LEU  27          HD22      LEU  27 -14.832  -5.758   3.098
  230   HD23  LEU  27          HD23      LEU  27 -15.030  -5.545   1.359
  231    H    MET  28           HN       MET  28 -11.912  -2.699  -1.976
  232    HA   MET  28           HA       MET  28 -13.816  -0.650  -2.389
  233    HB2  MET  28           HB2      MET  28 -11.318  -0.362  -2.715
  234    HB3  MET  28           HB1      MET  28 -11.473  -1.269  -4.215
  235    HG2  MET  28           HG2      MET  28 -13.262   0.519  -4.789
  236    HG3  MET  28           HG1      MET  28 -12.461   1.460  -3.542
  237    HE1  MET  28           HE1      MET  28  -9.195   1.451  -4.044
  238    HE2  MET  28           HE2      MET  28 -10.527   2.499  -3.562
  239    HE3  MET  28           HE3      MET  28  -9.539   2.914  -4.965
  240    H    GLU  29           HN       GLU  29 -13.690  -3.796  -3.534
  241    HA   GLU  29           HA       GLU  29 -15.015  -3.276  -6.080
  242    HB2  GLU  29           HB2      GLU  29 -14.506  -5.418  -6.619
  243    HB3  GLU  29           HB1      GLU  29 -13.242  -5.137  -5.431
  244    HG2  GLU  29           HG2      GLU  29 -14.697  -6.191  -3.715
  245    HG3  GLU  29           HG1      GLU  29 -15.851  -6.573  -4.990
  246    H    LEU  30           HN       LEU  30 -15.813  -3.938  -2.778
  247    HA   LEU  30           HA       LEU  30 -18.436  -5.007  -3.527
  248    HB2  LEU  30           HB2      LEU  30 -18.380  -6.226  -1.666
  249    HB3  LEU  30           HB1      LEU  30 -16.680  -5.822  -1.615
  250    HG   LEU  30           HG       LEU  30 -18.844  -4.352  -0.122
  251   HD11  LEU  30          HD11      LEU  30 -17.992  -5.457   1.859
  252   HD12  LEU  30          HD12      LEU  30 -16.790  -6.312   0.888
  253   HD13  LEU  30          HD13      LEU  30 -18.506  -6.658   0.673
  254   HD21  LEU  30          HD21      LEU  30 -17.058  -2.848  -0.490
  255   HD22  LEU  30          HD22      LEU  30 -15.858  -4.095  -0.152
  256   HD23  LEU  30          HD23      LEU  30 -16.861  -3.466   1.150
  257    H    VAL  31           HN       VAL  31 -17.175  -2.130  -3.283
  258    HA   VAL  31           HA       VAL  31 -19.409  -0.924  -1.809
  259    HB   VAL  31           HB       VAL  31 -17.366   0.005  -1.036
  260   HG11  VAL  31          HG11      VAL  31 -15.688   1.002  -2.503
  261   HG12  VAL  31          HG12      VAL  31 -16.625   0.508  -3.913
  262   HG13  VAL  31          HG13      VAL  31 -15.917  -0.711  -2.854
  263   HG21  VAL  31          HG21      VAL  31 -17.505   2.393  -2.055
  264   HG22  VAL  31          HG22      VAL  31 -18.861   1.756  -1.128
  265   HG23  VAL  31          HG23      VAL  31 -18.920   1.758  -2.890
  266    HA   PRO  32           HA       PRO  32 -21.604  -0.370  -5.645
  267    HB2  PRO  32           HB2      PRO  32 -22.343   2.166  -4.213
  268    HB3  PRO  32           HB1      PRO  32 -23.375   1.062  -5.130
  269    HG2  PRO  32           HG2      PRO  32 -23.300   0.997  -2.452
  270    HG3  PRO  32           HG1      PRO  32 -23.485  -0.479  -3.413
  271    HD2  PRO  32           HD2      PRO  32 -21.164   0.464  -1.853
  272    HD3  PRO  32           HD1      PRO  32 -21.581  -1.181  -2.373
  273    H    GLN  33           HN       GLN  33 -20.706   0.345  -7.468
  274    HA   GLN  33           HA       GLN  33 -18.479   1.943  -7.654
  275    HB2  GLN  33           HB2      GLN  33 -19.162   0.423  -9.418
  276    HB3  GLN  33           HB1      GLN  33 -20.566   1.420  -9.769
  277    HG2  GLN  33           HG2      GLN  33 -19.120   3.243 -10.467
  278    HG3  GLN  33           HG1      GLN  33 -17.698   2.278 -10.075
  279   HE21  GLN  33          HE21      GLN  33 -18.891  -0.188 -11.070
  280   HE22  GLN  33          HE22      GLN  33 -18.854  -0.080 -12.794
  281    HA   PRO  34           HA       PRO  34 -21.342   5.651  -9.026
  282    HB2  PRO  34           HB2      PRO  34 -23.648   5.167  -7.211
  283    HB3  PRO  34           HB1      PRO  34 -23.630   5.783  -8.867
  284    HG2  PRO  34           HG2      PRO  34 -24.432   3.292  -8.338
  285    HG3  PRO  34           HG1      PRO  34 -23.494   3.666  -9.796
  286    HD2  PRO  34           HD2      PRO  34 -22.601   2.397  -7.239
  287    HD3  PRO  34           HD1      PRO  34 -22.133   2.021  -8.909
  288    H    LEU  35           HN       LEU  35 -21.233   4.238  -5.826
  289    HA   LEU  35           HA       LEU  35 -21.241   6.743  -4.416
  290    HB2  LEU  35           HB2      LEU  35 -22.238   4.782  -3.396
  291    HB3  LEU  35           HB1      LEU  35 -20.744   3.886  -3.568
  292    HG   LEU  35           HG       LEU  35 -19.675   5.377  -1.941
  293   HD11  LEU  35          HD11      LEU  35 -22.418   6.566  -1.602
  294   HD12  LEU  35          HD12      LEU  35 -21.029   7.377  -2.325
  295   HD13  LEU  35          HD13      LEU  35 -20.996   6.924  -0.620
  296   HD21  LEU  35          HD21      LEU  35 -20.821   4.527   0.027
  297   HD22  LEU  35          HD22      LEU  35 -20.705   3.285  -1.220
  298   HD23  LEU  35          HD23      LEU  35 -22.230   4.130  -0.957
  299    H    VAL  36           HN       VAL  36 -18.903   4.499  -5.703
  300    HA   VAL  36           HA       VAL  36 -16.636   5.528  -4.292
  301    HB   VAL  36           HB       VAL  36 -16.889   3.889  -6.816
  302   HG11  VAL  36          HG11      VAL  36 -14.386   4.883  -5.465
  303   HG12  VAL  36          HG12      VAL  36 -14.901   5.179  -7.125
  304   HG13  VAL  36          HG13      VAL  36 -14.417   3.558  -6.627
  305   HG21  VAL  36          HG21      VAL  36 -15.853   3.225  -4.061
  306   HG22  VAL  36          HG22      VAL  36 -15.948   2.115  -5.429
  307   HG23  VAL  36          HG23      VAL  36 -17.425   2.761  -4.714
  308    H    ASP  37           HN       ASP  37 -18.076   6.092  -7.471
  309    HA   ASP  37           HA       ASP  37 -16.257   7.945  -8.478
  310    HB2  ASP  37           HB2      ASP  37 -18.039   6.975  -9.847
  311    HB3  ASP  37           HB1      ASP  37 -19.254   7.812  -8.886
  312    H    SER  38           HN       SER  38 -19.115   8.408  -6.382
  313    HA   SER  38           HA       SER  38 -19.053  11.185  -6.332
  314    HB2  SER  38           HB2      SER  38 -20.925   9.908  -5.412
  315    HB3  SER  38           HB1      SER  38 -19.892   9.285  -4.124
  316    HG   SER  38           HG       SER  38 -19.741  11.951  -4.146
  317    H    TYR  39           HN       TYR  39 -17.388   8.820  -4.287
  318    HA   TYR  39           HA       TYR  39 -16.169  10.580  -2.492
  319    HB2  TYR  39           HB2      TYR  39 -16.015   8.386  -1.805
  320    HB3  TYR  39           HB1      TYR  39 -15.642   7.794  -3.421
  321    HD1  TYR  39           HD1      TYR  39 -14.203   9.620  -0.527
  322    HD2  TYR  39           HD2      TYR  39 -13.416   7.423  -4.084
  323    HE1  TYR  39           HE1      TYR  39 -11.818   9.550   0.049
  324    HE2  TYR  39           HE2      TYR  39 -11.035   7.347  -3.519
  325    HH   TYR  39           HH       TYR  39  -9.421   8.518  -2.179
  326    H    ARG  40           HN       ARG  40 -15.016   9.237  -5.567
  327    HA   ARG  40           HA       ARG  40 -12.474  10.278  -5.598
  328    HB2  ARG  40           HB2      ARG  40 -14.414   9.667  -7.814
  329    HB3  ARG  40           HB1      ARG  40 -12.781  10.235  -8.149
  330    HG2  ARG  40           HG2      ARG  40 -11.874   8.316  -6.924
  331    HG3  ARG  40           HG1      ARG  40 -13.517   7.748  -6.617
  332    HD2  ARG  40           HD2      ARG  40 -13.893   7.544  -9.028
  333    HD3  ARG  40           HD1      ARG  40 -12.252   8.113  -9.332
  334    HE   ARG  40           HE       ARG  40 -11.954   5.945  -7.687
  335   HH11  ARG  40          HH11      ARG  40 -13.436   6.522 -10.789
  336   HH12  ARG  40          HH12      ARG  40 -13.152   4.915 -11.367
  337   HH21  ARG  40          HH21      ARG  40 -11.576   3.828  -8.442
  338   HH22  ARG  40          HH22      ARG  40 -12.093   3.384 -10.034
  339    H    GLN  41           HN       GLN  41 -15.504  11.757  -6.554
  340    HA   GLN  41           HA       GLN  41 -14.512  14.124  -7.668
  341    HB2  GLN  41           HB2      GLN  41 -17.075  13.764  -6.093
  342    HB3  GLN  41           HB1      GLN  41 -16.707  15.140  -7.123
  343    HG2  GLN  41           HG2      GLN  41 -16.578  13.626  -9.057
  344    HG3  GLN  41           HG1      GLN  41 -17.025  12.284  -8.007
  345   HE21  GLN  41          HE21      GLN  41 -18.117  15.173  -9.594
  346   HE22  GLN  41          HE22      GLN  41 -19.808  14.911  -9.355
  347    H    GLN  42           HN       GLN  42 -15.475  13.404  -4.325
  348    HA   GLN  42           HA       GLN  42 -14.817  15.883  -3.197
  349    HB2  GLN  42           HB2      GLN  42 -16.131  14.147  -2.042
  350    HB3  GLN  42           HB1      GLN  42 -14.689  13.149  -1.905
  351    HG2  GLN  42           HG2      GLN  42 -13.650  15.051  -0.610
  352    HG3  GLN  42           HG1      GLN  42 -15.254  15.778  -0.564
  353   HE21  GLN  42          HE21      GLN  42 -16.618  13.200  -0.330
  354   HE22  GLN  42          HE22      GLN  42 -16.346  12.662   1.287
  355    H    GLN  43           HN       GLN  43 -12.849  13.236  -4.224
  356    HA   GLN  43           HA       GLN  43 -10.499  14.021  -2.766
  357    HB2  GLN  43           HB2      GLN  43 -10.641  11.716  -3.273
  358    HB3  GLN  43           HB1      GLN  43 -11.049  12.025  -4.953
  359    HG2  GLN  43           HG2      GLN  43  -8.420  13.005  -4.032
  360    HG3  GLN  43           HG1      GLN  43  -8.626  11.259  -4.142
  361   HE21  GLN  43          HE21      GLN  43  -8.375  14.226  -5.887
  362   HE22  GLN  43          HE22      GLN  43  -8.293  13.536  -7.469
  363    H    GLN  44           HN       GLN  44 -11.700  14.357  -6.071
  364    HA   GLN  44           HA       GLN  44  -9.430  15.538  -7.205
  365    HB2  GLN  44           HB2      GLN  44 -11.712  14.704  -8.258
  366    HB3  GLN  44           HB1      GLN  44 -12.149  16.400  -8.090
  367    HG2  GLN  44           HG2      GLN  44 -11.293  16.027 -10.293
  368    HG3  GLN  44           HG1      GLN  44 -10.138  17.007  -9.390
  369   HE21  GLN  44          HE21      GLN  44  -8.185  16.071  -8.714
  370   HE22  GLN  44          HE22      GLN  44  -7.575  14.623  -9.434
  371    H    LEU  45           HN       LEU  45 -11.804  16.748  -5.042
  372    HA   LEU  45           HA       LEU  45 -11.749  19.480  -5.504
  373    HB2  LEU  45           HB2      LEU  45 -13.292  18.871  -3.915
  374    HB3  LEU  45           HB1      LEU  45 -12.199  17.751  -3.128
  375    HG   LEU  45           HG       LEU  45 -10.943  19.876  -2.342
  376   HD11  LEU  45          HD11      LEU  45 -12.099  21.471  -3.754
  377   HD12  LEU  45          HD12      LEU  45 -12.401  21.828  -2.053
  378   HD13  LEU  45          HD13      LEU  45 -13.642  21.032  -3.020
  379   HD21  LEU  45          HD21      LEU  45 -13.610  18.982  -1.278
  380   HD22  LEU  45          HD22      LEU  45 -12.553  20.106  -0.423
  381   HD23  LEU  45          HD23      LEU  45 -12.002  18.465  -0.765
  382    H    LEU  46           HN       LEU  46  -9.598  17.582  -3.383
  383    HA   LEU  46           HA       LEU  46  -7.747  19.869  -3.358
  384    HB2  LEU  46           HB2      LEU  46  -8.716  18.129  -1.280
  385    HB3  LEU  46           HB1      LEU  46  -6.969  18.034  -1.382
  386    HG   LEU  46           HG       LEU  46  -7.680  19.701   0.257
  387   HD11  LEU  46          HD11      LEU  46  -6.314  21.542  -0.500
  388   HD12  LEU  46          HD12      LEU  46  -6.451  20.995  -2.171
  389   HD13  LEU  46          HD13      LEU  46  -5.578  20.016  -0.992
  390   HD21  LEU  46          HD21      LEU  46  -9.817  20.299  -0.814
  391   HD22  LEU  46          HD22      LEU  46  -8.925  21.156  -2.072
  392   HD23  LEU  46          HD23      LEU  46  -8.847  21.712  -0.400
  393    H    GLN  47           HN       GLN  47  -7.296  16.392  -2.721
  394    HA   GLN  47           HA       GLN  47  -5.732  14.908  -3.459
  395    HB2  GLN  47           HB2      GLN  47  -6.939  15.828  -5.678
  396    HB3  GLN  47           HB1      GLN  47  -5.300  16.372  -6.007
  397    HG2  GLN  47           HG2      GLN  47  -6.162  13.547  -5.442
  398    HG3  GLN  47           HG1      GLN  47  -5.708  14.210  -7.010
  399   HE21  GLN  47          HE21      GLN  47  -4.583  13.110  -3.923
  400   HE22  GLN  47          HE22      GLN  47  -2.904  13.046  -4.325
  401    H    ARG  48           HN       ARG  48  -4.857  17.168  -1.948
  402    HA   ARG  48           HA       ARG  48  -2.064  16.952  -2.345
  403    HB2  ARG  48           HB2      ARG  48  -1.529  19.258  -2.904
  404    HB3  ARG  48           HB1      ARG  48  -2.532  18.547  -4.160
  405    HG2  ARG  48           HG2      ARG  48  -4.480  19.692  -3.276
  406    HG3  ARG  48           HG1      ARG  48  -3.499  20.378  -1.979
  407    HD2  ARG  48           HD2      ARG  48  -2.107  21.511  -3.669
  408    HD3  ARG  48           HD1      ARG  48  -3.148  20.863  -4.936
  409    HE   ARG  48           HE       ARG  48  -4.787  22.228  -3.164
  410   HH11  ARG  48          HH11      ARG  48  -2.140  22.945  -5.313
  411   HH12  ARG  48          HH12      ARG  48  -2.659  24.569  -5.620
  412   HH21  ARG  48          HH21      ARG  48  -5.479  24.364  -3.563
  413   HH22  ARG  48          HH22      ARG  48  -4.557  25.375  -4.625
  414    H    ASP   1           HT1      ASP   1   6.824 -14.829  15.817
  415    HA   ASP   1           HA       ASP   1   5.392 -15.824  14.176
  416    HB2  ASP   1           HB2      ASP   1   3.150 -14.706  15.877
  417    HB3  ASP   1           HB1      ASP   1   2.961 -15.504  14.319
  418    H    GLU   2           HN       GLU   2   6.560 -14.294  13.022
  419    HA   GLU   2           HA       GLU   2   5.080 -12.009  12.155
  420    HB2  GLU   2           HB2      GLU   2   6.715 -10.297  12.807
  421    HB3  GLU   2           HB1      GLU   2   5.989 -11.063  14.214
  422    HG2  GLU   2           HG2      GLU   2   7.968 -12.416  14.539
  423    HG3  GLU   2           HG1      GLU   2   8.691 -11.748  13.077
  424    H    ASP   3           HN       ASP   3   6.864 -14.478  11.416
  425    HA   ASP   3           HA       ASP   3   8.900 -13.355   9.753
  426    HB2  ASP   3           HB2      ASP   3   7.703 -16.132   9.676
  427    HB3  ASP   3           HB1      ASP   3   9.216 -15.629   8.928
  428    H    THR   4           HN       THR   4   8.179 -15.274   7.469
  429    HA   THR   4           HA       THR   4   6.802 -13.306   5.941
  430    HB   THR   4           HB       THR   4   6.876 -15.960   4.740
  431    HG1  THR   4           HG1      THR   4   9.159 -15.969   4.545
  432   HG21  THR   4          HG21      THR   4   7.876 -13.223   3.975
  433   HG22  THR   4          HG22      THR   4   6.418 -14.033   3.390
  434   HG23  THR   4          HG23      THR   4   8.009 -14.643   2.935
  435    H    TYR   5           HN       TYR   5   4.861 -13.370   5.034
  436    HA   TYR   5           HA       TYR   5   2.851 -15.117   6.288
  437    HB2  TYR   5           HB2      TYR   5   2.886 -12.163   5.867
  438    HB3  TYR   5           HB1      TYR   5   1.385 -13.060   6.086
  439    HD1  TYR   5           HD2      TYR   5   1.171 -14.501   8.190
  440    HD2  TYR   5           HD1      TYR   5   4.137 -11.491   7.719
  441    HE1  TYR   5           HE2      TYR   5   1.469 -14.424  10.627
  442    HE2  TYR   5           HE1      TYR   5   4.441 -11.400  10.156
  443    HH   TYR   5           HH       TYR   5   3.428 -11.998  12.167
  444    H    TYR   6           HN       TYR   6   0.854 -15.282   4.935
  445    HA   TYR   6           HA       TYR   6   1.428 -14.699   2.110
  446    HB2  TYR   6           HB2      TYR   6  -0.514 -16.810   3.078
  447    HB3  TYR   6           HB1      TYR   6   0.134 -16.607   1.457
  448    HD1  TYR   6           HD1      TYR   6   3.039 -16.193   2.239
  449    HD2  TYR   6           HD2      TYR   6   0.148 -19.049   3.493
  450    HE1  TYR   6           HE1      TYR   6   4.842 -17.778   2.740
  451    HE2  TYR   6           HE2      TYR   6   1.945 -20.648   4.005
  452    HH   TYR   6           HH       TYR   6   5.219 -19.752   4.155
  453    H    LEU   7           HN       LEU   7   0.176 -13.409   1.051
  454    HA   LEU   7           HA       LEU   7  -2.251 -12.365   2.381
  455    HB2  LEU   7           HB2      LEU   7   0.076 -11.113   1.534
  456    HB3  LEU   7           HB1      LEU   7  -1.041 -10.803   0.236
  457    HG   LEU   7           HG       LEU   7  -2.148  -9.233   1.393
  458   HD11  LEU   7          HD11      LEU   7  -2.019  -9.452   4.091
  459   HD12  LEU   7          HD12      LEU   7  -2.081 -11.148   3.593
  460   HD13  LEU   7          HD13      LEU   7  -3.351 -10.037   3.088
  461   HD21  LEU   7          HD21      LEU   7   0.196  -8.612   1.517
  462   HD22  LEU   7          HD22      LEU   7   0.335  -9.426   3.075
  463   HD23  LEU   7          HD23      LEU   7  -0.701  -8.008   2.910
  464    H    GLN   8           HN       GLN   8  -4.038 -13.236   1.381
  465    HA   GLN   8           HA       GLN   8  -3.823 -13.964  -1.398
  466    HB2  GLN   8           HB2      GLN   8  -5.110 -15.172   0.611
  467    HB3  GLN   8           HB1      GLN   8  -6.409 -14.145   0.042
  468    HG2  GLN   8           HG2      GLN   8  -5.726 -15.161  -2.283
  469    HG3  GLN   8           HG1      GLN   8  -5.114 -16.456  -1.255
  470   HE21  GLN   8          HE21      GLN   8  -6.603 -17.968  -1.819
  471   HE22  GLN   8          HE22      GLN   8  -8.284 -17.853  -1.429
  472    H    VAL   9           HN       VAL   9  -4.174 -12.548  -2.913
  473    HA   VAL   9           HA       VAL   9  -6.043 -10.371  -2.360
  474    HB   VAL   9           HB       VAL   9  -3.346 -10.205  -3.685
  475   HG11  VAL   9          HG11      VAL   9  -5.531  -8.134  -3.685
  476   HG12  VAL   9          HG12      VAL   9  -4.849  -8.963  -5.086
  477   HG13  VAL   9          HG13      VAL   9  -3.857  -7.840  -4.157
  478   HG21  VAL   9          HG21      VAL   9  -4.520  -8.642  -1.394
  479   HG22  VAL   9          HG22      VAL   9  -2.855  -8.589  -1.977
  480   HG23  VAL   9          HG23      VAL   9  -3.478 -10.054  -1.219
  481    H    ARG  10           HN       ARG  10  -7.584 -10.044  -3.830
  482    HA   ARG  10           HA       ARG  10  -7.479 -11.747  -6.214
  483    HB2  ARG  10           HB2      ARG  10  -9.430 -11.810  -4.530
  484    HB3  ARG  10           HB1      ARG  10  -9.913 -10.271  -5.231
  485    HG2  ARG  10           HG2      ARG  10  -9.411 -12.542  -7.070
  486    HG3  ARG  10           HG1      ARG  10 -10.882 -12.563  -6.095
  487    HD2  ARG  10           HD2      ARG  10 -11.434 -10.310  -6.952
  488    HD3  ARG  10           HD1      ARG  10 -10.006 -10.378  -7.982
  489    HE   ARG  10           HE       ARG  10 -11.559 -12.638  -8.505
  490   HH11  ARG  10          HH11      ARG  10 -11.727  -9.177  -8.876
  491   HH12  ARG  10          HH12      ARG  10 -12.756  -9.248 -10.268
  492   HH21  ARG  10          HH21      ARG  10 -12.913 -12.739 -10.336
  493   HH22  ARG  10          HH22      ARG  10 -13.430 -11.272 -11.098
  494    H    GLY  11           HN       GLY  11  -7.840 -10.997  -8.266
  495    HA2  GLY  11           HA2      GLY  11  -8.116  -9.390  -9.940
  496    HA3  GLY  11           HA1      GLY  11  -8.272  -8.158  -8.695
  497    H    ARG  12           HN       ARG  12  -6.447  -8.976 -11.205
  498    HA   ARG  12           HA       ARG  12  -3.806  -8.989 -10.413
  499    HB2  ARG  12           HB2      ARG  12  -4.888  -9.224 -12.760
  500    HB3  ARG  12           HB1      ARG  12  -4.667  -7.482 -12.856
  501    HG2  ARG  12           HG2      ARG  12  -2.796  -8.474 -13.903
  502    HG3  ARG  12           HG1      ARG  12  -2.242  -7.863 -12.344
  503    HD2  ARG  12           HD2      ARG  12  -2.323 -10.067 -11.391
  504    HD3  ARG  12           HD1      ARG  12  -3.059 -10.716 -12.855
  505    HE   ARG  12           HE       ARG  12  -0.831  -9.889 -13.902
  506   HH11  ARG  12          HH11      ARG  12  -1.230 -11.300 -10.742
  507   HH12  ARG  12          HH12      ARG  12   0.356 -11.995 -10.711
  508   HH21  ARG  12          HH21      ARG  12   1.259 -10.800 -13.869
  509   HH22  ARG  12          HH22      ARG  12   1.772 -11.708 -12.487
  510    H    GLU  13           HN       GLU  13  -5.751  -6.147 -11.188
  511    HA   GLU  13           HA       GLU  13  -3.834  -4.184 -10.880
  512    HB2  GLU  13           HB2      GLU  13  -6.099  -3.718 -11.694
  513    HB3  GLU  13           HB1      GLU  13  -6.747  -4.003 -10.085
  514    HG2  GLU  13           HG2      GLU  13  -5.656  -2.065  -9.222
  515    HG3  GLU  13           HG1      GLU  13  -4.757  -1.841 -10.723
  516    H    ASN  14           HN       ASN  14  -5.841  -5.641  -8.349
  517    HA   ASN  14           HA       ASN  14  -4.865  -4.047  -6.199
  518    HB2  ASN  14           HB2      ASN  14  -5.972  -6.815  -5.874
  519    HB3  ASN  14           HB1      ASN  14  -6.165  -5.411  -4.829
  520   HD21  ASN  14          HD21      ASN  14  -7.582  -3.726  -5.506
  521   HD22  ASN  14          HD22      ASN  14  -8.874  -4.056  -6.603
  522    H    PHE  15           HN       PHE  15  -4.022  -7.268  -7.452
  523    HA   PHE  15           HA       PHE  15  -2.148  -7.889  -5.461
  524    HB2  PHE  15           HB2      PHE  15  -3.210  -9.557  -6.945
  525    HB3  PHE  15           HB1      PHE  15  -2.357  -8.877  -8.322
  526    HD1  PHE  15           HD2      PHE  15  -1.293  -9.902  -4.889
  527    HD2  PHE  15           HD1      PHE  15  -0.798 -10.349  -9.097
  528    HE1  PHE  15           HE2      PHE  15   0.546 -11.472  -4.503
  529    HE2  PHE  15           HE1      PHE  15   1.066 -11.917  -8.705
  530    HZ   PHE  15           HZ       PHE  15   1.733 -12.477  -6.402
  531    H    GLU  16           HN       GLU  16  -1.631  -6.588  -8.752
  532    HA   GLU  16           HA       GLU  16   1.124  -6.373  -8.616
  533    HB2  GLU  16           HB2      GLU  16  -0.831  -4.589 -10.076
  534    HB3  GLU  16           HB1      GLU  16   0.905  -4.593 -10.352
  535    HG2  GLU  16           HG2      GLU  16  -0.949  -6.925 -10.779
  536    HG3  GLU  16           HG1      GLU  16  -0.286  -5.886 -12.039
  537    H    ILE  17           HN       ILE  17  -1.305  -4.184  -7.354
  538    HA   ILE  17           HA       ILE  17   0.519  -2.024  -6.804
  539    HB   ILE  17           HB       ILE  17  -2.327  -2.561  -6.279
  540   HG12  ILE  17          HG12      ILE  17  -0.954   0.076  -6.698
  541   HG13  ILE  17          HG11      ILE  17  -1.203  -1.038  -8.035
  542   HG21  ILE  17          HG21      ILE  17  -0.765  -0.760  -4.433
  543   HG22  ILE  17          HG22      ILE  17  -1.630  -2.230  -3.977
  544   HG23  ILE  17          HG23      ILE  17  -2.525  -0.821  -4.553
  545   HD11  ILE  17          HD11      ILE  17  -3.636  -0.957  -7.531
  546   HD12  ILE  17          HD12      ILE  17  -2.939   0.589  -8.029
  547   HD13  ILE  17          HD13      ILE  17  -3.281   0.284  -6.327
  548    H    LEU  18           HN       LEU  18  -0.778  -4.775  -4.998
  549    HA   LEU  18           HA       LEU  18   0.463  -4.066  -2.482
  550    HB2  LEU  18           HB2      LEU  18  -1.107  -6.387  -3.540
  551    HB3  LEU  18           HB1      LEU  18  -0.275  -6.475  -2.000
  552    HG   LEU  18           HG       LEU  18  -2.104  -4.171  -2.444
  553   HD11  LEU  18          HD11      LEU  18  -4.060  -5.379  -1.986
  554   HD12  LEU  18          HD12      LEU  18  -3.162  -6.834  -1.565
  555   HD13  LEU  18          HD13      LEU  18  -3.245  -6.307  -3.245
  556   HD21  LEU  18          HD21      LEU  18  -0.819  -4.311  -0.398
  557   HD22  LEU  18          HD22      LEU  18  -1.432  -5.937  -0.094
  558   HD23  LEU  18          HD23      LEU  18  -2.529  -4.557  -0.050
  559    H    MET  19           HN       MET  19   1.252  -6.004  -5.304
  560    HA   MET  19           HA       MET  19   3.311  -7.481  -3.986
  561    HB2  MET  19           HB2      MET  19   1.935  -7.963  -6.262
  562    HB3  MET  19           HB1      MET  19   3.328  -7.161  -6.964
  563    HG2  MET  19           HG2      MET  19   3.264  -9.714  -5.396
  564    HG3  MET  19           HG1      MET  19   3.705  -9.480  -7.080
  565    HE1  MET  19           HE1      MET  19   6.925 -10.659  -5.033
  566    HE2  MET  19           HE2      MET  19   5.909 -11.064  -6.417
  567    HE3  MET  19           HE3      MET  19   5.230 -11.088  -4.788
  568    H    LYS  20           HN       LYS  20   3.247  -4.582  -6.077
  569    HA   LYS  20           HA       LYS  20   6.067  -4.284  -6.151
  570    HB2  LYS  20           HB2      LYS  20   4.904  -2.905  -7.666
  571    HB3  LYS  20           HB1      LYS  20   3.762  -2.372  -6.436
  572    HG2  LYS  20           HG2      LYS  20   5.029  -0.595  -6.010
  573    HG3  LYS  20           HG1      LYS  20   6.386  -1.640  -5.606
  574    HD2  LYS  20           HD2      LYS  20   7.085  -1.727  -7.850
  575    HD3  LYS  20           HD1      LYS  20   5.635  -0.882  -8.393
  576    HE2  LYS  20           HE2      LYS  20   7.396   0.715  -8.385
  577    HE3  LYS  20           HE1      LYS  20   6.373   1.068  -6.996
  578    HZ1  LYS  20           HZ1      LYS  20   7.952  -0.091  -5.582
  579    HZ2  LYS  20           HZ2      LYS  20   8.713   1.168  -6.416
  580    HZ3  LYS  20           HZ3      LYS  20   8.936  -0.432  -6.917
  581    H    LEU  21           HN       LEU  21   3.538  -3.625  -3.955
  582    HA   LEU  21           HA       LEU  21   5.030  -1.877  -2.260
  583    HB2  LEU  21           HB2      LEU  21   2.453  -2.114  -2.549
  584    HB3  LEU  21           HB1      LEU  21   2.600  -3.435  -1.410
  585    HG   LEU  21           HG       LEU  21   2.965  -0.509  -0.969
  586   HD11  LEU  21          HD11      LEU  21   1.365  -0.773   0.688
  587   HD12  LEU  21          HD12      LEU  21   1.635  -2.510   0.802
  588   HD13  LEU  21          HD13      LEU  21   0.819  -1.837  -0.608
  589   HD21  LEU  21          HD21      LEU  21   4.986  -1.390  -0.031
  590   HD22  LEU  21          HD22      LEU  21   4.102  -2.690   0.764
  591   HD23  LEU  21          HD23      LEU  21   3.872  -1.020   1.283
  592    H    LYS  22           HN       LYS  22   4.228  -5.312  -2.275
  593    HA   LYS  22           HA       LYS  22   5.262  -5.992   0.225
  594    HB2  LYS  22           HB2      LYS  22   4.024  -7.674  -0.834
  595    HB3  LYS  22           HB1      LYS  22   4.846  -7.446  -2.369
  596    HG2  LYS  22           HG2      LYS  22   6.921  -8.359  -1.150
  597    HG3  LYS  22           HG1      LYS  22   5.767  -8.930   0.058
  598    HD2  LYS  22           HD2      LYS  22   4.819 -10.451  -1.369
  599    HD3  LYS  22           HD1      LYS  22   5.214  -9.508  -2.808
  600    HE2  LYS  22           HE2      LYS  22   7.096 -11.169  -1.141
  601    HE3  LYS  22           HE1      LYS  22   6.565 -11.491  -2.791
  602    HZ1  LYS  22           HZ1      LYS  22   8.155  -9.127  -1.959
  603    HZ2  LYS  22           HZ2      LYS  22   7.722  -9.540  -3.541
  604    HZ3  LYS  22           HZ3      LYS  22   8.799 -10.517  -2.677
  605    H    GLU  23           HN       GLU  23   6.715  -5.567  -2.938
  606    HA   GLU  23           HA       GLU  23   9.335  -6.392  -2.218
  607    HB2  GLU  23           HB2      GLU  23   8.312  -4.642  -4.459
  608    HB3  GLU  23           HB1      GLU  23   9.996  -5.119  -4.291
  609    HG2  GLU  23           HG2      GLU  23   9.417  -7.438  -4.557
  610    HG3  GLU  23           HG1      GLU  23   7.702  -7.044  -4.573
  611    H    SER  24           HN       SER  24   7.834  -3.139  -2.466
  612    HA   SER  24           HA       SER  24  10.062  -1.688  -1.681
  613    HB2  SER  24           HB2      SER  24   8.531   0.108  -1.160
  614    HB3  SER  24           HB1      SER  24   7.993  -0.720  -2.617
  615    HG   SER  24           HG       SER  24   6.188  -0.581  -1.439
  616    H    LEU  25           HN       LEU  25   7.536  -3.123   0.390
  617    HA   LEU  25           HA       LEU  25   8.523  -2.072   2.866
  618    HB2  LEU  25           HB2      LEU  25   6.597  -4.212   2.057
  619    HB3  LEU  25           HB1      LEU  25   7.161  -4.145   3.712
  620    HG   LEU  25           HG       LEU  25   5.829  -1.813   2.339
  621   HD11  LEU  25          HD11      LEU  25   4.258  -3.640   2.371
  622   HD12  LEU  25          HD12      LEU  25   3.814  -2.466   3.609
  623   HD13  LEU  25          HD13      LEU  25   4.620  -3.967   4.065
  624   HD21  LEU  25          HD21      LEU  25   5.561  -0.919   4.526
  625   HD22  LEU  25          HD22      LEU  25   7.255  -1.389   4.361
  626   HD23  LEU  25          HD23      LEU  25   6.139  -2.410   5.275
  627    H    GLU  26           HN       GLU  26   8.892  -5.182   1.235
  628    HA   GLU  26           HA       GLU  26  10.542  -6.223   3.312
  629    HB2  GLU  26           HB2      GLU  26  10.091  -7.175   0.480
  630    HB3  GLU  26           HB1      GLU  26  11.125  -8.026   1.619
  631    HG2  GLU  26           HG2      GLU  26   9.137  -8.169   3.150
  632    HG3  GLU  26           HG1      GLU  26   8.162  -7.570   1.808
  633    H    LEU  27           HN       LEU  27  11.203  -4.515   0.312
  634    HA   LEU  27           HA       LEU  27  14.028  -4.966   0.371
  635    HB2  LEU  27           HB2      LEU  27  12.226  -3.110  -1.141
  636    HB3  LEU  27           HB1      LEU  27  13.963  -2.879  -1.181
  637    HG   LEU  27           HG       LEU  27  12.642  -5.473  -1.962
  638   HD11  LEU  27          HD11      LEU  27  13.495  -3.186  -3.731
  639   HD12  LEU  27          HD12      LEU  27  11.836  -3.701  -3.425
  640   HD13  LEU  27          HD13      LEU  27  12.947  -4.770  -4.281
  641   HD21  LEU  27          HD21      LEU  27  15.394  -4.338  -2.452
  642   HD22  LEU  27          HD22      LEU  27  14.788  -5.867  -3.091
  643   HD23  LEU  27          HD23      LEU  27  14.986  -5.655  -1.351
  644    H    MET  28           HN       MET  28  11.888  -2.785   1.980
  645    HA   MET  28           HA       MET  28  13.807  -0.750   2.392
  646    HB2  MET  28           HB2      MET  28  11.311  -0.444   2.719
  647    HB3  MET  28           HB1      MET  28  11.460  -1.351   4.219
  648    HG2  MET  28           HG2      MET  28  13.261   0.427   4.793
  649    HG3  MET  28           HG1      MET  28  12.465   1.371   3.544
  650    HE1  MET  28           HE1      MET  28   9.200   1.387   4.045
  651    HE2  MET  28           HE2      MET  28  10.541   2.425   3.564
  652    HE3  MET  28           HE3      MET  28   9.554   2.847   4.967
  653    H    GLU  29           HN       GLU  29  13.658  -3.894   3.538
  654    HA   GLU  29           HA       GLU  29  14.986  -3.383   6.085
  655    HB2  GLU  29           HB2      GLU  29  14.457  -5.521   6.624
  656    HB3  GLU  29           HB1      GLU  29  13.198  -5.230   5.434
  657    HG2  GLU  29           HG2      GLU  29  14.645  -6.297   3.722
  658    HG3  GLU  29           HG1      GLU  29  15.795  -6.686   4.998
  659    H    LEU  30           HN       LEU  30  15.781  -4.053   2.782
  660    HA   LEU  30           HA       LEU  30  18.394  -5.141   3.534
  661    HB2  LEU  30           HB2      LEU  30  18.330  -6.359   1.674
  662    HB3  LEU  30           HB1      LEU  30  16.633  -5.942   1.622
  663    HG   LEU  30           HG       LEU  30  18.809  -4.490   0.130
  664   HD11  LEU  30          HD11      LEU  30  17.951  -5.589  -1.851
  665   HD12  LEU  30          HD12      LEU  30  16.742  -6.435  -0.882
  666   HD13  LEU  30          HD13      LEU  30  18.454  -6.794  -0.664
  667   HD21  LEU  30          HD21      LEU  30  17.035  -2.973   0.496
  668   HD22  LEU  30          HD22      LEU  30  15.825  -4.210   0.157
  669   HD23  LEU  30          HD23      LEU  30  16.834  -3.588  -1.144
  670    H    VAL  31           HN       VAL  31  17.156  -2.256   3.289
  671    HA   VAL  31           HA       VAL  31  19.398  -1.067   1.814
  672    HB   VAL  31           HB       VAL  31  17.363  -0.124   1.039
  673   HG11  VAL  31          HG11      VAL  31  15.691   0.887   2.505
  674   HG12  VAL  31          HG12      VAL  31  16.625   0.388   3.916
  675   HG13  VAL  31          HG13      VAL  31  15.908  -0.827   2.858
  676   HG21  VAL  31          HG21      VAL  31  17.519   2.265   2.058
  677   HG22  VAL  31          HG22      VAL  31  18.870   1.618   1.131
  678   HG23  VAL  31          HG23      VAL  31  18.929   1.620   2.893
  679    HA   PRO  32           HA       PRO  32  21.595  -0.525   5.651
  680    HB2  PRO  32           HB2      PRO  32  22.353   2.004   4.218
  681    HB3  PRO  32           HB1      PRO  32  23.377   0.893   5.137
  682    HG2  PRO  32           HG2      PRO  32  23.302   0.826   2.458
  683    HG3  PRO  32           HG1      PRO  32  23.476  -0.651   3.421
  684    HD2  PRO  32           HD2      PRO  32  21.163   0.308   1.858
  685    HD3  PRO  32           HD1      PRO  32  21.567  -1.339   2.380
  686    H    GLN  33           HN       GLN  33  20.702   0.198   7.473
  687    HA   GLN  33           HA       GLN  33  18.486   1.812   7.658
  688    HB2  GLN  33           HB2      GLN  33  19.157   0.289   9.423
  689    HB3  GLN  33           HB1      GLN  33  20.569   1.276   9.774
  690    HG2  GLN  33           HG2      GLN  33  19.136   3.110  10.468
  691    HG3  GLN  33           HG1      GLN  33  17.707   2.155  10.078
  692   HE21  GLN  33          HE21      GLN  33  18.880  -0.319  11.077
  693   HE22  GLN  33          HE22      GLN  33  18.842  -0.209  12.800
  694    HA   PRO  34           HA       PRO  34  21.376   5.500   9.029
  695    HB2  PRO  34           HB2      PRO  34  23.677   4.997   7.213
  696    HB3  PRO  34           HB1      PRO  34  23.666   5.616   8.867
  697    HG2  PRO  34           HG2      PRO  34  24.449   3.119   8.342
  698    HG3  PRO  34           HG1      PRO  34  23.514   3.500   9.799
  699    HD2  PRO  34           HD2      PRO  34  22.612   2.237   7.243
  700    HD3  PRO  34           HD1      PRO  34  22.140   1.864   8.913
  701    H    LEU  35           HN       LEU  35  21.261   4.085   5.829
  702    HA   LEU  35           HA       LEU  35  21.286   6.589   4.416
  703    HB2  LEU  35           HB2      LEU  35  22.269   4.619   3.398
  704    HB3  LEU  35           HB1      LEU  35  20.767   3.735   3.571
  705    HG   LEU  35           HG       LEU  35  19.711   5.232   1.942
  706   HD11  LEU  35          HD11      LEU  35  22.462   6.402   1.603
  707   HD12  LEU  35          HD12      LEU  35  21.078   7.222   2.326
  708   HD13  LEU  35          HD13      LEU  35  21.043   6.769   0.621
  709   HD21  LEU  35          HD21      LEU  35  20.853   4.372  -0.025
  710   HD22  LEU  35          HD22      LEU  35  20.725   3.132   1.223
  711   HD23  LEU  35          HD23      LEU  35  22.258   3.964   0.961
  712    H    VAL  36           HN       VAL  36  18.931   4.364   5.704
  713    HA   VAL  36           HA       VAL  36  16.672   5.408   4.291
  714    HB   VAL  36           HB       VAL  36  16.912   3.770   6.818
  715   HG11  VAL  36          HG11      VAL  36  14.417   4.783   5.464
  716   HG12  VAL  36          HG12      VAL  36  14.934   5.076   7.125
  717   HG13  VAL  36          HG13      VAL  36  14.437   3.458   6.628
  718   HG21  VAL  36          HG21      VAL  36  15.871   3.110   4.064
  719   HG22  VAL  36          HG22      VAL  36  15.958   2.001   5.433
  720   HG23  VAL  36          HG23      VAL  36  17.440   2.636   4.717
  721    H    ASP  37           HN       ASP  37  18.116   5.964   7.470
  722    HA   ASP  37           HA       ASP  37  16.309   7.830   8.475
  723    HB2  ASP  37           HB2      ASP  37  18.082   6.849   9.846
  724    HB3  ASP  37           HB1      ASP  37  19.306   7.675   8.885
  725    H    SER  38           HN       SER  38  19.170   8.272   6.379
  726    HA   SER  38           HA       SER  38  19.130  11.049   6.327
  727    HB2  SER  38           HB2      SER  38  20.991   9.757   5.408
  728    HB3  SER  38           HB1      SER  38  19.954   9.141   4.122
  729    HG   SER  38           HG       SER  38  19.825  11.808   4.142
  730    H    TYR  39           HN       TYR  39  17.448   8.694   4.285
  731    HA   TYR  39           HA       TYR  39  16.243  10.463   2.488
  732    HB2  TYR  39           HB2      TYR  39  16.074   8.270   1.802
  733    HB3  TYR  39           HB1      TYR  39  15.696   7.682   3.418
  734    HD1  TYR  39           HD1      TYR  39  14.271   9.516   0.522
  735    HD2  TYR  39           HD2      TYR  39  13.468   7.328   4.081
  736    HE1  TYR  39           HE1      TYR  39  11.886   9.462  -0.055
  737    HE2  TYR  39           HE2      TYR  39  11.086   7.268   3.516
  738    HH   TYR  39           HH       TYR  39   9.480   8.448   2.173
  739    H    ARG  40           HN       ARG  40  15.079   9.131   5.563
  740    HA   ARG  40           HA       ARG  40  12.545  10.190   5.591
  741    HB2  ARG  40           HB2      ARG  40  14.479   9.566   7.810
  742    HB3  ARG  40           HB1      ARG  40  12.850  10.146   8.143
  743    HG2  ARG  40           HG2      ARG  40  11.930   8.234   6.919
  744    HG3  ARG  40           HG1      ARG  40  13.568   7.653   6.615
  745    HD2  ARG  40           HD2      ARG  40  13.941   7.449   9.024
  746    HD3  ARG  40           HD1      ARG  40  12.305   8.031   9.328
  747    HE   ARG  40           HE       ARG  40  11.990   5.862   7.686
  748   HH11  ARG  40          HH11      ARG  40  13.476   6.433  10.786
  749   HH12  ARG  40          HH12      ARG  40  13.178   4.829  11.367
  750   HH21  ARG  40          HH21      ARG  40  11.595   3.750   8.443
  751   HH22  ARG  40          HH22      ARG  40  12.111   3.303  10.035
  752    H    GLN  41           HN       GLN  41  15.586  11.647   6.546
  753    HA   GLN  41           HA       GLN  41  14.612  14.022   7.659
  754    HB2  GLN  41           HB2      GLN  41  17.172  13.644   6.085
  755    HB3  GLN  41           HB1      GLN  41  16.814  15.023   7.114
  756    HG2  GLN  41           HG2      GLN  41  16.672  13.512   9.049
  757    HG3  GLN  41           HG1      GLN  41  17.109  12.165   8.000
  758   HE21  GLN  41          HE21      GLN  41  18.222  15.045   9.586
  759   HE22  GLN  41          HE22      GLN  41  19.911  14.770   9.349
  760    H    GLN  42           HN       GLN  42  15.569  13.293   4.318
  761    HA   GLN  42           HA       GLN  42  14.929  15.776   3.188
  762    HB2  GLN  42           HB2      GLN  42  16.232  14.030   2.034
  763    HB3  GLN  42           HB1      GLN  42  14.783  13.043   1.897
  764    HG2  GLN  42           HG2      GLN  42  13.759  14.952   0.600
  765    HG3  GLN  42           HG1      GLN  42  15.369  15.665   0.554
  766   HE21  GLN  42          HE21      GLN  42  16.715  13.079   0.321
  767   HE22  GLN  42          HE22      GLN  42  16.438  12.542  -1.294
  768    H    GLN  43           HN       GLN  43  12.942  13.145   4.215
  769    HA   GLN  43           HA       GLN  43  10.598  13.946   2.756
  770    HB2  GLN  43           HB2      GLN  43  10.723  11.641   3.265
  771    HB3  GLN  43           HB1      GLN  43  11.133  11.948   4.945
  772    HG2  GLN  43           HG2      GLN  43   8.512  12.947   4.023
  773    HG3  GLN  43           HG1      GLN  43   8.705  11.199   4.135
  774   HE21  GLN  43          HE21      GLN  43   8.474  14.170   5.877
  775   HE22  GLN  43          HE22      GLN  43   8.386  13.482   7.459
  776    H    GLN  44           HN       GLN  44  11.800  14.277   6.062
  777    HA   GLN  44           HA       GLN  44   9.538  15.475   7.193
  778    HB2  GLN  44           HB2      GLN  44  11.814  14.625   8.247
  779    HB3  GLN  44           HB1      GLN  44  12.263  16.317   8.078
  780    HG2  GLN  44           HG2      GLN  44  11.405  15.952  10.281
  781    HG3  GLN  44           HG1      GLN  44  10.258  16.941   9.377
  782   HE21  GLN  44          HE21      GLN  44   8.298  16.017   8.700
  783   HE22  GLN  44          HE22      GLN  44   7.676  14.576   9.423
  784    H    LEU  45           HN       LEU  45  11.924  16.665   5.031
  785    HA   LEU  45           HA       LEU  45  11.888  19.398   5.490
  786    HB2  LEU  45           HB2      LEU  45  13.427  18.775   3.903
  787    HB3  LEU  45           HB1      LEU  45  12.326  17.663   3.115
  788    HG   LEU  45           HG       LEU  45  11.086  19.797   2.328
  789   HD11  LEU  45          HD11      LEU  45  12.254  21.383   3.739
  790   HD12  LEU  45          HD12      LEU  45  12.559  21.737   2.039
  791   HD13  LEU  45          HD13      LEU  45  13.794  20.933   3.007
  792   HD21  LEU  45          HD21      LEU  45  13.748  18.883   1.267
  793   HD22  LEU  45          HD22      LEU  45  12.700  20.013   0.410
  794   HD23  LEU  45          HD23      LEU  45  12.137  18.377   0.753
  795    H    LEU  46           HN       LEU  46   9.723  17.514   3.370
  796    HA   LEU  46           HA       LEU  46   7.890  19.814   3.343
  797    HB2  LEU  46           HB2      LEU  46   8.847  18.066   1.267
  798    HB3  LEU  46           HB1      LEU  46   7.099  17.984   1.367
  799    HG   LEU  46           HG       LEU  46   7.822  19.646  -0.271
  800   HD11  LEU  46          HD11      LEU  46   6.470  21.496   0.484
  801   HD12  LEU  46          HD12      LEU  46   6.602  20.950   2.156
  802   HD13  LEU  46          HD13      LEU  46   5.723  19.976   0.977
  803   HD21  LEU  46          HD21      LEU  46   9.964  20.228   0.800
  804   HD22  LEU  46          HD22      LEU  46   9.079  21.091   2.057
  805   HD23  LEU  46          HD23      LEU  46   9.005  21.648   0.385
  806    H    GLN  47           HN       GLN  47   7.412  16.341   2.707
  807    HA   GLN  47           HA       GLN  47   5.837  14.869   3.447
  808    HB2  GLN  47           HB2      GLN  47   7.052  15.782   5.665
  809    HB3  GLN  47           HB1      GLN  47   5.417  16.338   5.993
  810    HG2  GLN  47           HG2      GLN  47   6.257  13.506   5.431
  811    HG3  GLN  47           HG1      GLN  47   5.808  14.174   6.998
  812   HE21  GLN  47          HE21      GLN  47   4.675  13.080   3.912
  813   HE22  GLN  47          HE22      GLN  47   2.996  13.029   4.314
  814    H    ARG  48           HN       ARG  48   4.980  17.134   1.935
  815    HA   ARG  48           HA       ARG  48   2.185  16.940   2.332
  816    HB2  ARG  48           HB2      ARG  48   1.668  19.250   2.888
  817    HB3  ARG  48           HB1      ARG  48   2.664  18.532   4.145
  818    HG2  ARG  48           HG2      ARG  48   4.622  19.661   3.261
  819    HG3  ARG  48           HG1      ARG  48   3.646  20.354   1.963
  820    HD2  ARG  48           HD2      ARG  48   2.263  21.498   3.651
  821    HD3  ARG  48           HD1      ARG  48   3.298  20.844   4.919
  822    HE   ARG  48           HE       ARG  48   4.949  22.195   3.148
  823   HH11  ARG  48          HH11      ARG  48   2.305  22.935   5.293
  824   HH12  ARG  48          HH12      ARG  48   2.836  24.555   5.598
  825   HH21  ARG  48          HH21      ARG  48   5.656  24.328   3.544
  826   HH22  ARG  48          HH22      ARG  48   4.740  25.347   4.603
  827    H    ASP   1           HT1      ASP   1  -6.831  14.831  15.815
  828    HA   ASP   1           HA       ASP   1  -5.396  15.824  14.174
  829    HB2  ASP   1           HB2      ASP   1  -3.156  14.707  15.878
  830    HB3  ASP   1           HB1      ASP   1  -2.966  15.505  14.320
  831    H    GLU   2           HN       GLU   2  -6.564  14.294  13.020
  832    HA   GLU   2           HA       GLU   2  -5.085  12.009  12.153
  833    HB2  GLU   2           HB2      GLU   2  -6.720  10.297  12.806
  834    HB3  GLU   2           HB1      GLU   2  -5.995  11.064  14.213
  835    HG2  GLU   2           HG2      GLU   2  -7.973  12.417  14.535
  836    HG3  GLU   2           HG1      GLU   2  -8.695  11.747  13.074
  837    H    ASP   3           HN       ASP   3  -6.868  14.480  11.414
  838    HA   ASP   3           HA       ASP   3  -8.903  13.355   9.750
  839    HB2  ASP   3           HB2      ASP   3  -7.708  16.133   9.673
  840    HB3  ASP   3           HB1      ASP   3  -9.220  15.629   8.925
  841    H    THR   4           HN       THR   4  -8.182  15.273   7.465
  842    HA   THR   4           HA       THR   4  -6.803  13.306   5.940
  843    HB   THR   4           HB       THR   4  -6.876  15.960   4.738
  844    HG1  THR   4           HG1      THR   4  -9.159  15.969   4.545
  845   HG21  THR   4          HG21      THR   4  -7.877  13.223   3.974
  846   HG22  THR   4          HG22      THR   4  -6.418  14.032   3.388
  847   HG23  THR   4          HG23      THR   4  -8.010  14.643   2.934
  848    H    TYR   5           HN       TYR   5  -4.862  13.370   5.033
  849    HA   TYR   5           HA       TYR   5  -2.852  15.118   6.289
  850    HB2  TYR   5           HB2      TYR   5  -2.888  12.164   5.868
  851    HB3  TYR   5           HB1      TYR   5  -1.387  13.060   6.088
  852    HD1  TYR   5           HD2      TYR   5  -1.172  14.501   8.190
  853    HD2  TYR   5           HD1      TYR   5  -4.140  11.492   7.718
  854    HE1  TYR   5           HE2      TYR   5  -1.471  14.424  10.627
  855    HE2  TYR   5           HE1      TYR   5  -4.446  11.402  10.154
  856    HH   TYR   5           HH       TYR   5  -3.437  12.001  12.166
  857    H    TYR   6           HN       TYR   6  -0.856  15.282   4.937
  858    HA   TYR   6           HA       TYR   6  -1.429  14.698   2.111
  859    HB2  TYR   6           HB2      TYR   6   0.513  16.810   3.079
  860    HB3  TYR   6           HB1      TYR   6  -0.135  16.606   1.458
  861    HD1  TYR   6           HD1      TYR   6  -3.040  16.193   2.238
  862    HD2  TYR   6           HD2      TYR   6  -0.149  19.049   3.496
  863    HE1  TYR   6           HE1      TYR   6  -4.842  17.780   2.737
  864    HE2  TYR   6           HE2      TYR   6  -1.946  20.648   4.006
  865    HH   TYR   6           HH       TYR   6  -5.219  19.752   4.154
  866    H    LEU   7           HN       LEU   7  -0.177  13.409   1.052
  867    HA   LEU   7           HA       LEU   7   2.251  12.365   2.383
  868    HB2  LEU   7           HB2      LEU   7  -0.077  11.114   1.536
  869    HB3  LEU   7           HB1      LEU   7   1.040  10.803   0.237
  870    HG   LEU   7           HG       LEU   7   2.147   9.233   1.394
  871   HD11  LEU   7          HD11      LEU   7   2.019   9.452   4.093
  872   HD12  LEU   7          HD12      LEU   7   2.082  11.149   3.595
  873   HD13  LEU   7          HD13      LEU   7   3.351  10.038   3.089
  874   HD21  LEU   7          HD21      LEU   7  -0.196   8.613   1.517
  875   HD22  LEU   7          HD22      LEU   7  -0.336   9.428   3.075
  876   HD23  LEU   7          HD23      LEU   7   0.699   8.009   2.912
  877    H    GLN   8           HN       GLN   8   4.038  13.235   1.383
  878    HA   GLN   8           HA       GLN   8   3.823  13.965  -1.395
  879    HB2  GLN   8           HB2      GLN   8   5.108  15.174   0.613
  880    HB3  GLN   8           HB1      GLN   8   6.408  14.147   0.047
  881    HG2  GLN   8           HG2      GLN   8   5.726  15.161  -2.280
  882    HG3  GLN   8           HG1      GLN   8   5.115  16.457  -1.252
  883   HE21  GLN   8          HE21      GLN   8   6.606  17.967  -1.816
  884   HE22  GLN   8          HE22      GLN   8   8.286  17.852  -1.426
  885    H    VAL   9           HN       VAL   9   4.176  12.549  -2.910
  886    HA   VAL   9           HA       VAL   9   6.045  10.372  -2.354
  887    HB   VAL   9           HB       VAL   9   3.348  10.204  -3.683
  888   HG11  VAL   9          HG11      VAL   9   5.535   8.136  -3.677
  889   HG12  VAL   9          HG12      VAL   9   4.856   8.963  -5.080
  890   HG13  VAL   9          HG13      VAL   9   3.863   7.839  -4.153
  891   HG21  VAL   9          HG21      VAL   9   4.520   8.641  -1.391
  892   HG22  VAL   9          HG22      VAL   9   2.856   8.590  -1.974
  893   HG23  VAL   9          HG23      VAL   9   3.480  10.055  -1.216
  894    H    ARG  10           HN       ARG  10   7.586  10.044  -3.824
  895    HA   ARG  10           HA       ARG  10   7.483  11.747  -6.210
  896    HB2  ARG  10           HB2      ARG  10   9.434  11.809  -4.524
  897    HB3  ARG  10           HB1      ARG  10   9.915  10.269  -5.224
  898    HG2  ARG  10           HG2      ARG  10   9.416  12.541  -7.064
  899    HG3  ARG  10           HG1      ARG  10  10.887  12.560  -6.088
  900    HD2  ARG  10           HD2      ARG  10  11.438  10.307  -6.945
  901    HD3  ARG  10           HD1      ARG  10  10.011  10.377  -7.976
  902    HE   ARG  10           HE       ARG  10  11.566  12.637  -8.496
  903   HH11  ARG  10          HH11      ARG  10  11.733   9.176  -8.868
  904   HH12  ARG  10          HH12      ARG  10  12.761   9.247 -10.260
  905   HH21  ARG  10          HH21      ARG  10  12.918  12.739 -10.328
  906   HH22  ARG  10          HH22      ARG  10  13.434  11.272 -11.091
  907    H    GLY  11           HN       GLY  11   7.846  10.997  -8.260
  908    HA2  GLY  11           HA2      GLY  11   8.122   9.389  -9.934
  909    HA3  GLY  11           HA1      GLY  11   8.277   8.157  -8.689
  910    H    ARG  12           HN       ARG  12   6.453   8.975 -11.201
  911    HA   ARG  12           HA       ARG  12   3.812   8.988 -10.410
  912    HB2  ARG  12           HB2      ARG  12   4.895   9.223 -12.757
  913    HB3  ARG  12           HB1      ARG  12   4.675   7.481 -12.852
  914    HG2  ARG  12           HG2      ARG  12   2.803   8.470 -13.900
  915    HG3  ARG  12           HG1      ARG  12   2.249   7.861 -12.340
  916    HD2  ARG  12           HD2      ARG  12   2.330  10.064 -11.388
  917    HD3  ARG  12           HD1      ARG  12   3.067  10.713 -12.852
  918    HE   ARG  12           HE       ARG  12   0.838   9.887 -13.900
  919   HH11  ARG  12          HH11      ARG  12   1.236  11.299 -10.739
  920   HH12  ARG  12          HH12      ARG  12  -0.350  11.994 -10.710
  921   HH21  ARG  12          HH21      ARG  12  -1.251  10.797 -13.868
  922   HH22  ARG  12          HH22      ARG  12  -1.765  11.706 -12.486
  923    H    GLU  13           HN       GLU  13   5.758   6.146 -11.184
  924    HA   GLU  13           HA       GLU  13   3.840   4.183 -10.876
  925    HB2  GLU  13           HB2      GLU  13   6.106   3.716 -11.688
  926    HB3  GLU  13           HB1      GLU  13   6.752   4.002 -10.079
  927    HG2  GLU  13           HG2      GLU  13   5.662   2.064  -9.217
  928    HG3  GLU  13           HG1      GLU  13   4.764   1.840 -10.718
  929    H    ASN  14           HN       ASN  14   5.847   5.640  -8.344
  930    HA   ASN  14           HA       ASN  14   4.869   4.045  -6.196
  931    HB2  ASN  14           HB2      ASN  14   5.976   6.813  -5.869
  932    HB3  ASN  14           HB1      ASN  14   6.167   5.410  -4.825
  933   HD21  ASN  14          HD21      ASN  14   7.584   3.723  -5.501
  934   HD22  ASN  14          HD22      ASN  14   8.877   4.053  -6.596
  935    H    PHE  15           HN       PHE  15   4.026   7.266  -7.450
  936    HA   PHE  15           HA       PHE  15   2.152   7.888  -5.458
  937    HB2  PHE  15           HB2      PHE  15   3.214   9.555  -6.943
  938    HB3  PHE  15           HB1      PHE  15   2.360   8.875  -8.319
  939    HD1  PHE  15           HD2      PHE  15   1.296   9.902  -4.887
  940    HD2  PHE  15           HD1      PHE  15   0.803  10.346  -9.095
  941    HE1  PHE  15           HE2      PHE  15  -0.543  11.474  -4.503
  942    HE2  PHE  15           HE1      PHE  15  -1.061  11.915  -8.705
  943    HZ   PHE  15           HZ       PHE  15  -1.729  12.478  -6.403
  944    H    GLU  16           HN       GLU  16   1.636   6.587  -8.749
  945    HA   GLU  16           HA       GLU  16  -1.118   6.372  -8.614
  946    HB2  GLU  16           HB2      GLU  16   0.839   4.588 -10.073
  947    HB3  GLU  16           HB1      GLU  16  -0.897   4.592 -10.351
  948    HG2  GLU  16           HG2      GLU  16   0.956   6.925 -10.776
  949    HG3  GLU  16           HG1      GLU  16   0.294   5.885 -12.036
  950    H    ILE  17           HN       ILE  17   1.311   4.183  -7.350
  951    HA   ILE  17           HA       ILE  17  -0.515   2.024  -6.801
  952    HB   ILE  17           HB       ILE  17   2.331   2.560  -6.276
  953   HG12  ILE  17          HG12      ILE  17   0.959  -0.077  -6.694
  954   HG13  ILE  17          HG11      ILE  17   1.207   1.037  -8.031
  955   HG21  ILE  17          HG21      ILE  17   0.769   0.761  -4.429
  956   HG22  ILE  17          HG22      ILE  17   1.635   2.231  -3.974
  957   HG23  ILE  17          HG23      ILE  17   2.530   0.821  -4.549
  958   HD11  ILE  17          HD11      ILE  17   3.640   0.955  -7.527
  959   HD12  ILE  17          HD12      ILE  17   2.944  -0.591  -8.025
  960   HD13  ILE  17          HD13      ILE  17   3.286  -0.285  -6.323
  961    H    LEU  18           HN       LEU  18   0.783   4.776  -4.994
  962    HA   LEU  18           HA       LEU  18  -0.460   4.067  -2.478
  963    HB2  LEU  18           HB2      LEU  18   1.112   6.385  -3.536
  964    HB3  LEU  18           HB1      LEU  18   0.278   6.475  -1.996
  965    HG   LEU  18           HG       LEU  18   2.107   4.170  -2.440
  966   HD11  LEU  18          HD11      LEU  18   4.063   5.377  -1.983
  967   HD12  LEU  18          HD12      LEU  18   3.166   6.832  -1.561
  968   HD13  LEU  18          HD13      LEU  18   3.248   6.306  -3.241
  969   HD21  LEU  18          HD21      LEU  18   0.821   4.309  -0.395
  970   HD22  LEU  18          HD22      LEU  18   1.431   5.936  -0.091
  971   HD23  LEU  18          HD23      LEU  18   2.531   4.557  -0.044
  972    H    MET  19           HN       MET  19  -1.249   6.003  -5.302
  973    HA   MET  19           HA       MET  19  -3.308   7.481  -3.986
  974    HB2  MET  19           HB2      MET  19  -1.931   7.961  -6.262
  975    HB3  MET  19           HB1      MET  19  -3.325   7.159  -6.964
  976    HG2  MET  19           HG2      MET  19  -3.261   9.713  -5.396
  977    HG3  MET  19           HG1      MET  19  -3.702   9.478  -7.080
  978    HE1  MET  19           HE1      MET  19  -6.923  10.657  -5.035
  979    HE2  MET  19           HE2      MET  19  -5.906  11.061  -6.419
  980    HE3  MET  19           HE3      MET  19  -5.229  11.086  -4.789
  981    H    LYS  20           HN       LYS  20  -3.242   4.582  -6.076
  982    HA   LYS  20           HA       LYS  20  -6.062   4.284  -6.151
  983    HB2  LYS  20           HB2      LYS  20  -4.899   2.904  -7.665
  984    HB3  LYS  20           HB1      LYS  20  -3.757   2.371  -6.434
  985    HG2  LYS  20           HG2      LYS  20  -5.023   0.593  -6.011
  986    HG3  LYS  20           HG1      LYS  20  -6.380   1.637  -5.605
  987    HD2  LYS  20           HD2      LYS  20  -7.080   1.726  -7.849
  988    HD3  LYS  20           HD1      LYS  20  -5.631   0.882  -8.393
  989    HE2  LYS  20           HE2      LYS  20  -7.392  -0.714  -8.387
  990    HE3  LYS  20           HE1      LYS  20  -6.369  -1.070  -6.998
  991    HZ1  LYS  20           HZ1      LYS  20  -7.947   0.089  -5.582
  992    HZ2  LYS  20           HZ2      LYS  20  -8.708  -1.170  -6.416
  993    HZ3  LYS  20           HZ3      LYS  20  -8.931   0.431  -6.916
  994    H    LEU  21           HN       LEU  21  -3.534   3.625  -3.954
  995    HA   LEU  21           HA       LEU  21  -5.027   1.877  -2.260
  996    HB2  LEU  21           HB2      LEU  21  -2.450   2.113  -2.547
  997    HB3  LEU  21           HB1      LEU  21  -2.597   3.434  -1.407
  998    HG   LEU  21           HG       LEU  21  -2.963   0.508  -0.967
  999   HD11  LEU  21          HD11      LEU  21  -1.364   0.772   0.692
 1000   HD12  LEU  21          HD12      LEU  21  -1.632   2.509   0.804
 1001   HD13  LEU  21          HD13      LEU  21  -0.817   1.834  -0.605
 1002   HD21  LEU  21          HD21      LEU  21  -4.985   1.390  -0.031
 1003   HD22  LEU  21          HD22      LEU  21  -4.101   2.690   0.765
 1004   HD23  LEU  21          HD23      LEU  21  -3.871   1.020   1.284
 1005    H    LYS  22           HN       LYS  22  -4.226   5.311  -2.274
 1006    HA   LYS  22           HA       LYS  22  -5.262   5.992   0.226
 1007    HB2  LYS  22           HB2      LYS  22  -4.023   7.673  -0.834
 1008    HB3  LYS  22           HB1      LYS  22  -4.845   7.446  -2.370
 1009    HG2  LYS  22           HG2      LYS  22  -6.920   8.359  -1.150
 1010    HG3  LYS  22           HG1      LYS  22  -5.766   8.929   0.058
 1011    HD2  LYS  22           HD2      LYS  22  -4.818  10.451  -1.368
 1012    HD3  LYS  22           HD1      LYS  22  -5.211   9.507  -2.807
 1013    HE2  LYS  22           HE2      LYS  22  -7.096  11.168  -1.143
 1014    HE3  LYS  22           HE1      LYS  22  -6.563  11.489  -2.793
 1015    HZ1  LYS  22           HZ1      LYS  22  -8.153   9.125  -1.962
 1016    HZ2  LYS  22           HZ2      LYS  22  -7.720   9.539  -3.543
 1017    HZ3  LYS  22           HZ3      LYS  22  -8.797  10.515  -2.679
 1018    H    GLU  23           HN       GLU  23  -6.712   5.565  -2.938
 1019    HA   GLU  23           HA       GLU  23  -9.333   6.392  -2.220
 1020    HB2  GLU  23           HB2      GLU  23  -8.308   4.642  -4.460
 1021    HB3  GLU  23           HB1      GLU  23  -9.993   5.117  -4.293
 1022    HG2  GLU  23           HG2      GLU  23  -9.416   7.436  -4.559
 1023    HG3  GLU  23           HG1      GLU  23  -7.700   7.044  -4.572
 1024    H    SER  24           HN       SER  24  -7.832   3.137  -2.466
 1025    HA   SER  24           HA       SER  24 -10.060   1.688  -1.683
 1026    HB2  SER  24           HB2      SER  24  -8.529  -0.109  -1.159
 1027    HB3  SER  24           HB1      SER  24  -7.993   0.717  -2.617
 1028    HG   SER  24           HG       SER  24  -6.185   0.580  -1.441
 1029    H    LEU  25           HN       LEU  25  -7.535   3.123   0.388
 1030    HA   LEU  25           HA       LEU  25  -8.523   2.073   2.864
 1031    HB2  LEU  25           HB2      LEU  25  -6.596   4.212   2.055
 1032    HB3  LEU  25           HB1      LEU  25  -7.161   4.146   3.709
 1033    HG   LEU  25           HG       LEU  25  -5.830   1.813   2.339
 1034   HD11  LEU  25          HD11      LEU  25  -4.256   3.638   2.370
 1035   HD12  LEU  25          HD12      LEU  25  -3.815   2.464   3.610
 1036   HD13  LEU  25          HD13      LEU  25  -4.619   3.966   4.065
 1037   HD21  LEU  25          HD21      LEU  25  -5.562   0.920   4.527
 1038   HD22  LEU  25          HD22      LEU  25  -7.257   1.389   4.358
 1039   HD23  LEU  25          HD23      LEU  25  -6.143   2.411   5.274
 1040    H    GLU  26           HN       GLU  26  -8.892   5.183   1.233
 1041    HA   GLU  26           HA       GLU  26 -10.543   6.224   3.310
 1042    HB2  GLU  26           HB2      GLU  26 -10.090   7.174   0.479
 1043    HB3  GLU  26           HB1      GLU  26 -11.125   8.025   1.616
 1044    HG2  GLU  26           HG2      GLU  26  -9.136   8.167   3.148
 1045    HG3  GLU  26           HG1      GLU  26  -8.162   7.569   1.806
 1046    H    LEU  27           HN       LEU  27 -11.202   4.514   0.311
 1047    HA   LEU  27           HA       LEU  27 -14.027   4.966   0.368
 1048    HB2  LEU  27           HB2      LEU  27 -12.223   3.110  -1.142
 1049    HB3  LEU  27           HB1      LEU  27 -13.960   2.878  -1.183
 1050    HG   LEU  27           HG       LEU  27 -12.639   5.472  -1.965
 1051   HD11  LEU  27          HD11      LEU  27 -13.493   3.185  -3.733
 1052   HD12  LEU  27          HD12      LEU  27 -11.833   3.700  -3.428
 1053   HD13  LEU  27          HD13      LEU  27 -12.945   4.768  -4.284
 1054   HD21  LEU  27          HD21      LEU  27 -15.391   4.338  -2.456
 1055   HD22  LEU  27          HD22      LEU  27 -14.784   5.867  -3.095
 1056   HD23  LEU  27          HD23      LEU  27 -14.984   5.656  -1.356
 1057    H    MET  28           HN       MET  28 -11.888   2.784   1.978
 1058    HA   MET  28           HA       MET  28 -13.808   0.750   2.390
 1059    HB2  MET  28           HB2      MET  28 -11.312   0.441   2.717
 1060    HB3  MET  28           HB1      MET  28 -11.460   1.350   4.216
 1061    HG2  MET  28           HG2      MET  28 -13.263  -0.427   4.790
 1062    HG3  MET  28           HG1      MET  28 -12.466  -1.372   3.543
 1063    HE1  MET  28           HE1      MET  28  -9.201  -1.387   4.046
 1064    HE2  MET  28           HE2      MET  28 -10.542  -2.424   3.564
 1065    HE3  MET  28           HE3      MET  28  -9.557  -2.846   4.968
 1066    H    GLU  29           HN       GLU  29 -13.658   3.894   3.536
 1067    HA   GLU  29           HA       GLU  29 -14.987   3.383   6.081
 1068    HB2  GLU  29           HB2      GLU  29 -14.460   5.521   6.621
 1069    HB3  GLU  29           HB1      GLU  29 -13.199   5.230   5.432
 1070    HG2  GLU  29           HG2      GLU  29 -14.646   6.296   3.718
 1071    HG3  GLU  29           HG1      GLU  29 -15.797   6.686   4.993
 1072    H    LEU  30           HN       LEU  30 -15.780   4.053   2.779
 1073    HA   LEU  30           HA       LEU  30 -18.394   5.141   3.529
 1074    HB2  LEU  30           HB2      LEU  30 -18.329   6.359   1.668
 1075    HB3  LEU  30           HB1      LEU  30 -16.632   5.942   1.617
 1076    HG   LEU  30           HG       LEU  30 -18.807   4.489   0.124
 1077   HD11  LEU  30          HD11      LEU  30 -17.948   5.589  -1.857
 1078   HD12  LEU  30          HD12      LEU  30 -16.739   6.434  -0.886
 1079   HD13  LEU  30          HD13      LEU  30 -18.452   6.794  -0.669
 1080   HD21  LEU  30          HD21      LEU  30 -17.032   2.972   0.492
 1081   HD22  LEU  30          HD22      LEU  30 -15.823   4.210   0.153
 1082   HD23  LEU  30          HD23      LEU  30 -16.832   3.588  -1.149
 1083    H    VAL  31           HN       VAL  31 -17.155   2.256   3.284
 1084    HA   VAL  31           HA       VAL  31 -19.397   1.067   1.808
 1085    HB   VAL  31           HB       VAL  31 -17.361   0.123   1.035
 1086   HG11  VAL  31          HG11      VAL  31 -15.690  -0.888   2.502
 1087   HG12  VAL  31          HG12      VAL  31 -16.624  -0.387   3.912
 1088   HG13  VAL  31          HG13      VAL  31 -15.906   0.827   2.854
 1089   HG21  VAL  31          HG21      VAL  31 -17.518  -2.265   2.055
 1090   HG22  VAL  31          HG22      VAL  31 -18.869  -1.618   1.127
 1091   HG23  VAL  31          HG23      VAL  31 -18.928  -1.619   2.889
 1092    HA   PRO  32           HA       PRO  32 -21.596   0.525   5.645
 1093    HB2  PRO  32           HB2      PRO  32 -22.355  -2.004   4.213
 1094    HB3  PRO  32           HB1      PRO  32 -23.379  -0.891   5.129
 1095    HG2  PRO  32           HG2      PRO  32 -23.300  -0.828   2.450
 1096    HG3  PRO  32           HG1      PRO  32 -23.476   0.650   3.412
 1097    HD2  PRO  32           HD2      PRO  32 -21.162  -0.308   1.852
 1098    HD3  PRO  32           HD1      PRO  32 -21.566   1.339   2.374
 1099    H    GLN  33           HN       GLN  33 -20.703  -0.197   7.467
 1100    HA   GLN  33           HA       GLN  33 -18.489  -1.812   7.653
 1101    HB2  GLN  33           HB2      GLN  33 -19.161  -0.288   9.417
 1102    HB3  GLN  33           HB1      GLN  33 -20.572  -1.276   9.767
 1103    HG2  GLN  33           HG2      GLN  33 -19.138  -3.109  10.464
 1104    HG3  GLN  33           HG1      GLN  33 -17.710  -2.153  10.074
 1105   HE21  GLN  33          HE21      GLN  33 -18.885   0.320  11.071
 1106   HE22  GLN  33          HE22      GLN  33 -18.848   0.211  12.794
 1107    HA   PRO  34           HA       PRO  34 -21.379  -5.500   9.021
 1108    HB2  PRO  34           HB2      PRO  34 -23.680  -4.998   7.206
 1109    HB3  PRO  34           HB1      PRO  34 -23.668  -5.616   8.861
 1110    HG2  PRO  34           HG2      PRO  34 -24.452  -3.119   8.334
 1111    HG3  PRO  34           HG1      PRO  34 -23.517  -3.500   9.792
 1112    HD2  PRO  34           HD2      PRO  34 -22.615  -2.236   7.236
 1113    HD3  PRO  34           HD1      PRO  34 -22.144  -1.864   8.907
 1114    H    LEU  35           HN       LEU  35 -21.262  -4.086   5.822
 1115    HA   LEU  35           HA       LEU  35 -21.286  -6.590   4.411
 1116    HB2  LEU  35           HB2      LEU  35 -22.269  -4.622   3.393
 1117    HB3  LEU  35           HB1      LEU  35 -20.770  -3.736   3.566
 1118    HG   LEU  35           HG       LEU  35 -19.712  -5.233   1.937
 1119   HD11  LEU  35          HD11      LEU  35 -22.462  -6.402   1.599
 1120   HD12  LEU  35          HD12      LEU  35 -21.078  -7.222   2.322
 1121   HD13  LEU  35          HD13      LEU  35 -21.044  -6.770   0.617
 1122   HD21  LEU  35          HD21      LEU  35 -20.853  -4.374  -0.031
 1123   HD22  LEU  35          HD22      LEU  35 -20.726  -3.133   1.216
 1124   HD23  LEU  35          HD23      LEU  35 -22.258  -3.966   0.954
 1125    H    VAL  36           HN       VAL  36 -18.932  -4.363   5.700
 1126    HA   VAL  36           HA       VAL  36 -16.673  -5.408   4.288
 1127    HB   VAL  36           HB       VAL  36 -16.914  -3.770   6.814
 1128   HG11  VAL  36          HG11      VAL  36 -14.419  -4.783   5.461
 1129   HG12  VAL  36          HG12      VAL  36 -14.935  -5.075   7.122
 1130   HG13  VAL  36          HG13      VAL  36 -14.439  -3.458   6.624
 1131   HG21  VAL  36          HG21      VAL  36 -15.872  -3.110   4.061
 1132   HG22  VAL  36          HG22      VAL  36 -15.960  -2.001   5.429
 1133   HG23  VAL  36          HG23      VAL  36 -17.440  -2.636   4.712
 1134    H    ASP  37           HN       ASP  37 -18.117  -5.964   7.466
 1135    HA   ASP  37           HA       ASP  37 -16.311  -7.830   8.472
 1136    HB2  ASP  37           HB2      ASP  37 -18.086  -6.849   9.842
 1137    HB3  ASP  37           HB1      ASP  37 -19.308  -7.675   8.881
 1138    H    SER  38           HN       SER  38 -19.171  -8.272   6.374
 1139    HA   SER  38           HA       SER  38 -19.130 -11.049   6.323
 1140    HB2  SER  38           HB2      SER  38 -20.992  -9.757   5.404
 1141    HB3  SER  38           HB1      SER  38 -19.955  -9.142   4.117
 1142    HG   SER  38           HG       SER  38 -19.827 -11.809   4.139
 1143    H    TYR  39           HN       TYR  39 -17.449  -8.694   4.280
 1144    HA   TYR  39           HA       TYR  39 -16.243 -10.463   2.485
 1145    HB2  TYR  39           HB2      TYR  39 -16.073  -8.271   1.800
 1146    HB3  TYR  39           HB1      TYR  39 -15.696  -7.682   3.415
 1147    HD1  TYR  39           HD1      TYR  39 -14.269  -9.517   0.521
 1148    HD2  TYR  39           HD2      TYR  39 -13.469  -7.327   4.078
 1149    HE1  TYR  39           HE1      TYR  39 -11.883  -9.463  -0.055
 1150    HE2  TYR  39           HE2      TYR  39 -11.087  -7.266   3.515
 1151    HH   TYR  39           HH       TYR  39  -9.479  -8.450   2.173
 1152    H    ARG  40           HN       ARG  40 -15.080  -9.131   5.561
 1153    HA   ARG  40           HA       ARG  40 -12.546 -10.190   5.591
 1154    HB2  ARG  40           HB2      ARG  40 -14.481  -9.567   7.808
 1155    HB3  ARG  40           HB1      ARG  40 -12.852 -10.146   8.141
 1156    HG2  ARG  40           HG2      ARG  40 -11.931  -8.234   6.919
 1157    HG3  ARG  40           HG1      ARG  40 -13.569  -7.653   6.612
 1158    HD2  ARG  40           HD2      ARG  40 -13.944  -7.448   9.022
 1159    HD3  ARG  40           HD1      ARG  40 -12.308  -8.030   9.327
 1160    HE   ARG  40           HE       ARG  40 -11.993  -5.862   7.684
 1161   HH11  ARG  40          HH11      ARG  40 -13.481  -6.431  10.784
 1162   HH12  ARG  40          HH12      ARG  40 -13.183  -4.827  11.364
 1163   HH21  ARG  40          HH21      ARG  40 -11.597  -3.749   8.441
 1164   HH22  ARG  40          HH22      ARG  40 -12.114  -3.303  10.033
 1165    H    GLN  41           HN       GLN  41 -15.586 -11.647   6.545
 1166    HA   GLN  41           HA       GLN  41 -14.613 -14.022   7.658
 1167    HB2  GLN  41           HB2      GLN  41 -17.172 -13.641   6.083
 1168    HB3  GLN  41           HB1      GLN  41 -16.815 -15.022   7.111
 1169    HG2  GLN  41           HG2      GLN  41 -16.676 -13.512   9.048
 1170    HG3  GLN  41           HG1      GLN  41 -17.112 -12.164   7.999
 1171   HE21  GLN  41          HE21      GLN  41 -18.226 -15.045   9.584
 1172   HE22  GLN  41          HE22      GLN  41 -19.915 -14.770   9.343
 1173    H    GLN  42           HN       GLN  42 -15.568 -13.292   4.316
 1174    HA   GLN  42           HA       GLN  42 -14.929 -15.775   3.187
 1175    HB2  GLN  42           HB2      GLN  42 -16.230 -14.029   2.032
 1176    HB3  GLN  42           HB1      GLN  42 -14.780 -13.043   1.896
 1177    HG2  GLN  42           HG2      GLN  42 -13.757 -14.952   0.601
 1178    HG3  GLN  42           HG1      GLN  42 -15.366 -15.666   0.555
 1179   HE21  GLN  42          HE21      GLN  42 -16.712 -13.079   0.319
 1180   HE22  GLN  42          HE22      GLN  42 -16.433 -12.542  -1.296
 1181    H    GLN  43           HN       GLN  43 -12.942 -13.145   4.214
 1182    HA   GLN  43           HA       GLN  43 -10.598 -13.947   2.756
 1183    HB2  GLN  43           HB2      GLN  43 -10.722 -11.642   3.265
 1184    HB3  GLN  43           HB1      GLN  43 -11.133 -11.950   4.944
 1185    HG2  GLN  43           HG2      GLN  43  -8.511 -12.947   4.025
 1186    HG3  GLN  43           HG1      GLN  43  -8.705 -11.200   4.135
 1187   HE21  GLN  43          HE21      GLN  43  -8.474 -14.168   5.879
 1188   HE22  GLN  43          HE22      GLN  43  -8.389 -13.480   7.460
 1189    H    GLN  44           HN       GLN  44 -11.800 -14.276   6.062
 1190    HA   GLN  44           HA       GLN  44  -9.539 -15.475   7.195
 1191    HB2  GLN  44           HB2      GLN  44 -11.815 -14.623   8.247
 1192    HB3  GLN  44           HB1      GLN  44 -12.265 -16.316   8.080
 1193    HG2  GLN  44           HG2      GLN  44 -11.407 -15.950  10.283
 1194    HG3  GLN  44           HG1      GLN  44 -10.259 -16.938   9.380
 1195   HE21  GLN  44          HE21      GLN  44  -8.301 -16.015   8.701
 1196   HE22  GLN  44          HE22      GLN  44  -7.679 -14.574   9.425
 1197    H    LEU  45           HN       LEU  45 -11.923 -16.665   5.031
 1198    HA   LEU  45           HA       LEU  45 -11.888 -19.399   5.490
 1199    HB2  LEU  45           HB2      LEU  45 -13.427 -18.775   3.902
 1200    HB3  LEU  45           HB1      LEU  45 -12.326 -17.664   3.115
 1201    HG   LEU  45           HG       LEU  45 -11.086 -19.797   2.328
 1202   HD11  LEU  45          HD11      LEU  45 -12.254 -21.383   3.740
 1203   HD12  LEU  45          HD12      LEU  45 -12.558 -21.738   2.039
 1204   HD13  LEU  45          HD13      LEU  45 -13.794 -20.933   3.007
 1205   HD21  LEU  45          HD21      LEU  45 -13.747 -18.884   1.266
 1206   HD22  LEU  45          HD22      LEU  45 -12.698 -20.013   0.409
 1207   HD23  LEU  45          HD23      LEU  45 -12.136 -18.377   0.754
 1208    H    LEU  46           HN       LEU  46  -9.723 -17.514   3.372
 1209    HA   LEU  46           HA       LEU  46  -7.889 -19.815   3.346
 1210    HB2  LEU  46           HB2      LEU  46  -8.845 -18.066   1.269
 1211    HB3  LEU  46           HB1      LEU  46  -7.098 -17.984   1.370
 1212    HG   LEU  46           HG       LEU  46  -7.820 -19.646  -0.269
 1213   HD11  LEU  46          HD11      LEU  46  -6.468 -21.495   0.487
 1214   HD12  LEU  46          HD12      LEU  46  -6.601 -20.949   2.159
 1215   HD13  LEU  46          HD13      LEU  46  -5.722 -19.975   0.980
 1216   HD21  LEU  46          HD21      LEU  46  -9.962 -20.228   0.802
 1217   HD22  LEU  46          HD22      LEU  46  -9.076 -21.092   2.059
 1218   HD23  LEU  46          HD23      LEU  46  -9.002 -21.648   0.387
 1219    H    GLN  47           HN       GLN  47  -7.413 -16.341   2.710
 1220    HA   GLN  47           HA       GLN  47  -5.836 -14.869   3.449
 1221    HB2  GLN  47           HB2      GLN  47  -7.052 -15.782   5.667
 1222    HB3  GLN  47           HB1      GLN  47  -5.417 -16.338   5.996
 1223    HG2  GLN  47           HG2      GLN  47  -6.257 -13.506   5.433
 1224    HG3  GLN  47           HG1      GLN  47  -5.809 -14.174   7.001
 1225   HE21  GLN  47          HE21      GLN  47  -4.674 -13.081   3.915
 1226   HE22  GLN  47          HE22      GLN  47  -2.994 -13.029   4.318
 1227    H    ARG  48           HN       ARG  48  -4.979 -17.135   1.938
 1228    HA   ARG  48           HA       ARG  48  -2.185 -16.940   2.337
 1229    HB2  ARG  48           HB2      ARG  48  -1.668 -19.250   2.894
 1230    HB3  ARG  48           HB1      ARG  48  -2.666 -18.532   4.150
 1231    HG2  ARG  48           HG2      ARG  48  -4.622 -19.661   3.265
 1232    HG3  ARG  48           HG1      ARG  48  -3.646 -20.354   1.968
 1233    HD2  ARG  48           HD2      ARG  48  -2.263 -21.497   3.656
 1234    HD3  ARG  48           HD1      ARG  48  -3.300 -20.844   4.924
 1235    HE   ARG  48           HE       ARG  48  -4.947 -22.196   3.150
 1236   HH11  ARG  48          HH11      ARG  48  -2.306 -22.935   5.299
 1237   HH12  ARG  48          HH12      ARG  48  -2.838 -24.554   5.604
 1238   HH21  ARG  48          HH21      ARG  48  -5.655 -24.327   3.547
 1239   HH22  ARG  48          HH22      ARG  48  -4.741 -25.346   4.608
 1240    H    ASP   1           HT1      ASP   1   6.949  14.795 -15.805
 1241    HA   ASP   1           HA       ASP   1   5.522  15.797 -14.164
 1242    HB2  ASP   1           HB2      ASP   1   3.274  14.698 -15.870
 1243    HB3  ASP   1           HB1      ASP   1   3.088  15.495 -14.310
 1244    H    GLU   2           HN       GLU   2   6.679  14.257 -13.012
 1245    HA   GLU   2           HA       GLU   2   5.181  11.982 -12.147
 1246    HB2  GLU   2           HB2      GLU   2   6.803  10.259 -12.800
 1247    HB3  GLU   2           HB1      GLU   2   6.085  11.033 -14.207
 1248    HG2  GLU   2           HG2      GLU   2   8.073  12.371 -14.528
 1249    HG3  GLU   2           HG1      GLU   2   8.790  11.696 -13.066
 1250    H    ASP   3           HN       ASP   3   6.982  14.439 -11.404
 1251    HA   ASP   3           HA       ASP   3   9.008  13.297  -9.742
 1252    HB2  ASP   3           HB2      ASP   3   7.834  16.084  -9.662
 1253    HB3  ASP   3           HB1      ASP   3   9.342  15.568  -8.913
 1254    H    THR   4           HN       THR   4   8.300  15.220  -7.456
 1255    HA   THR   4           HA       THR   4   6.908  13.262  -5.932
 1256    HB   THR   4           HB       THR   4   7.000  15.914  -4.728
 1257    HG1  THR   4           HG1      THR   4   9.284  15.905  -4.535
 1258   HG21  THR   4          HG21      THR   4   7.979  13.168  -3.966
 1259   HG22  THR   4          HG22      THR   4   6.528  13.988  -3.380
 1260   HG23  THR   4          HG23      THR   4   8.123  14.586  -2.924
 1261    H    TYR   5           HN       TYR   5   4.966  13.339  -5.026
 1262    HA   TYR   5           HA       TYR   5   2.970  15.101  -6.281
 1263    HB2  TYR   5           HB2      TYR   5   2.984  12.147  -5.862
 1264    HB3  TYR   5           HB1      TYR   5   1.489  13.055  -6.081
 1265    HD1  TYR   5           HD2      TYR   5   1.288  14.501  -8.183
 1266    HD2  TYR   5           HD1      TYR   5   4.229  11.467  -7.713
 1267    HE1  TYR   5           HE2      TYR   5   1.586  14.424 -10.619
 1268    HE2  TYR   5           HE1      TYR   5   4.534  11.376 -10.150
 1269    HH   TYR   5           HH       TYR   5   3.531  11.985 -12.161
 1270    H    TYR   6           HN       TYR   6   0.974  15.279  -4.928
 1271    HA   TYR   6           HA       TYR   6   1.542  14.690  -2.103
 1272    HB2  TYR   6           HB2      TYR   6  -0.384  16.817  -3.069
 1273    HB3  TYR   6           HB1      TYR   6   0.263  16.608  -1.448
 1274    HD1  TYR   6           HD1      TYR   6   3.164  16.173  -2.231
 1275    HD2  TYR   6           HD2      TYR   6   0.295  19.052  -3.484
 1276    HE1  TYR   6           HE1      TYR   6   4.979  17.746  -2.728
 1277    HE2  TYR   6           HE2      TYR   6   2.104  20.639  -3.992
 1278    HH   TYR   6           HH       TYR   6   5.371  19.719  -4.140
 1279    H    LEU   7           HN       LEU   7   0.281  13.409  -1.045
 1280    HA   LEU   7           HA       LEU   7  -2.154  12.384  -2.378
 1281    HB2  LEU   7           HB2      LEU   7   0.163  11.115  -1.530
 1282    HB3  LEU   7           HB1      LEU   7  -0.957  10.812  -0.232
 1283    HG   LEU   7           HG       LEU   7  -2.074   9.250  -1.392
 1284   HD11  LEU   7          HD11      LEU   7  -1.945   9.470  -4.089
 1285   HD12  LEU   7          HD12      LEU   7  -1.994  11.167  -3.590
 1286   HD13  LEU   7          HD13      LEU   7  -3.272  10.065  -3.085
 1287   HD21  LEU   7          HD21      LEU   7   0.265   8.613  -1.516
 1288   HD22  LEU   7          HD22      LEU   7   0.410   9.429  -3.073
 1289   HD23  LEU   7          HD23      LEU   7  -0.635   8.017  -2.911
 1290    H    GLN   8           HN       GLN   8  -3.935  13.266  -1.378
 1291    HA   GLN   8           HA       GLN   8  -3.716  13.993   1.401
 1292    HB2  GLN   8           HB2      GLN   8  -4.991  15.212  -0.607
 1293    HB3  GLN   8           HB1      GLN   8  -6.299  14.195  -0.042
 1294    HG2  GLN   8           HG2      GLN   8  -5.611  15.204   2.285
 1295    HG3  GLN   8           HG1      GLN   8  -4.989  16.495   1.259
 1296   HE21  GLN   8          HE21      GLN   8  -6.469  18.018   1.820
 1297   HE22  GLN   8          HE22      GLN   8  -8.150  17.915   1.430
 1298    H    VAL   9           HN       VAL   9  -4.079  12.578   2.915
 1299    HA   VAL   9           HA       VAL   9  -5.964  10.416   2.358
 1300    HB   VAL   9           HB       VAL   9  -3.269  10.226   3.686
 1301   HG11  VAL   9          HG11      VAL   9  -5.471   8.174   3.678
 1302   HG12  VAL   9          HG12      VAL   9  -4.786   8.995   5.082
 1303   HG13  VAL   9          HG13      VAL   9  -3.801   7.865   4.154
 1304   HG21  VAL   9          HG21      VAL   9  -4.453   8.675   1.392
 1305   HG22  VAL   9          HG22      VAL   9  -2.789   8.610   1.975
 1306   HG23  VAL   9          HG23      VAL   9  -3.402  10.080   1.218
 1307    H    ARG  10           HN       ARG  10  -7.509  10.098   3.827
 1308    HA   ARG  10           HA       ARG  10  -7.394  11.798   6.214
 1309    HB2  ARG  10           HB2      ARG  10  -9.343  11.877   4.527
 1310    HB3  ARG  10           HB1      ARG  10  -9.837  10.340   5.225
 1311    HG2  ARG  10           HG2      ARG  10  -9.322  12.606   7.068
 1312    HG3  ARG  10           HG1      ARG  10 -10.792  12.637   6.092
 1313    HD2  ARG  10           HD2      ARG  10 -11.360  10.387   6.947
 1314    HD3  ARG  10           HD1      ARG  10  -9.932  10.446   7.978
 1315    HE   ARG  10           HE       ARG  10 -11.469  12.716   8.500
 1316   HH11  ARG  10          HH11      ARG  10 -11.663   9.257   8.868
 1317   HH12  ARG  10          HH12      ARG  10 -12.692   9.334  10.259
 1318   HH21  ARG  10          HH21      ARG  10 -12.822  12.827  10.329
 1319   HH22  ARG  10          HH22      ARG  10 -13.351  11.364  11.090
 1320    H    GLY  11           HN       GLY  11  -7.762  11.049   8.263
 1321    HA2  GLY  11           HA2      GLY  11  -8.052   9.442   9.935
 1322    HA3  GLY  11           HA1      GLY  11  -8.215   8.213   8.689
 1323    H    ARG  12           HN       ARG  12  -6.386   9.016  11.202
 1324    HA   ARG  12           HA       ARG  12  -3.745   9.008  10.411
 1325    HB2  ARG  12           HB2      ARG  12  -4.826   9.250  12.758
 1326    HB3  ARG  12           HB1      ARG  12  -4.620   7.506  12.852
 1327    HG2  ARG  12           HG2      ARG  12  -2.742   8.482  13.903
 1328    HG3  ARG  12           HG1      ARG  12  -2.191   7.868  12.343
 1329    HD2  ARG  12           HD2      ARG  12  -2.255  10.073  11.391
 1330    HD3  ARG  12           HD1      ARG  12  -2.987  10.727  12.856
 1331    HE   ARG  12           HE       ARG  12  -0.765   9.882  13.904
 1332   HH11  ARG  12          HH11      ARG  12  -1.151  11.300  10.744
 1333   HH12  ARG  12          HH12      ARG  12   0.440  11.982  10.715
 1334   HH21  ARG  12          HH21      ARG  12   1.331  10.778  13.873
 1335   HH22  ARG  12          HH22      ARG  12   1.851  11.686  12.492
 1336    H    GLU  13           HN       GLU  13  -5.712   6.181  11.183
 1337    HA   GLU  13           HA       GLU  13  -3.809   4.204  10.875
 1338    HB2  GLU  13           HB2      GLU  13  -6.080   3.754  11.685
 1339    HB3  GLU  13           HB1      GLU  13  -6.722   4.045  10.075
 1340    HG2  GLU  13           HG2      GLU  13  -5.646   2.100   9.213
 1341    HG3  GLU  13           HG1      GLU  13  -4.750   1.868  10.714
 1342    H    ASN  14           HN       ASN  14  -5.803   5.679   8.343
 1343    HA   ASN  14           HA       ASN  14  -4.838   4.079   6.194
 1344    HB2  ASN  14           HB2      ASN  14  -5.923   6.856   5.871
 1345    HB3  ASN  14           HB1      ASN  14  -6.124   5.455   4.824
 1346   HD21  ASN  14          HD21      ASN  14  -7.553   3.778   5.498
 1347   HD22  ASN  14          HD22      ASN  14  -8.846   4.117   6.592
 1348    H    PHE  15           HN       PHE  15  -3.972   7.292   7.448
 1349    HA   PHE  15           HA       PHE  15  -2.091   7.900   5.459
 1350    HB2  PHE  15           HB2      PHE  15  -3.142   9.575   6.944
 1351    HB3  PHE  15           HB1      PHE  15  -2.294   8.887   8.320
 1352    HD1  PHE  15           HD2      PHE  15  -1.221   9.907   4.890
 1353    HD2  PHE  15           HD1      PHE  15  -0.725  10.345   9.098
 1354    HE1  PHE  15           HE2      PHE  15   0.630  11.465   4.506
 1355    HE2  PHE  15           HE1      PHE  15   1.150  11.901   8.709
 1356    HZ   PHE  15           HZ       PHE  15   1.823  12.459   6.408
 1357    H    GLU  16           HN       GLU  16  -1.586   6.594   8.750
 1358    HA   GLU  16           HA       GLU  16   1.167   6.359   8.615
 1359    HB2  GLU  16           HB2      GLU  16  -0.803   4.588  10.072
 1360    HB3  GLU  16           HB1      GLU  16   0.933   4.578  10.349
 1361    HG2  GLU  16           HG2      GLU  16  -0.904   6.925  10.777
 1362    HG3  GLU  16           HG1      GLU  16  -0.250   5.878  12.036
 1363    H    ILE  17           HN       ILE  17  -1.279   4.190   7.348
 1364    HA   ILE  17           HA       ILE  17   0.530   2.016   6.798
 1365    HB   ILE  17           HB       ILE  17  -2.312   2.575   6.272
 1366   HG12  ILE  17          HG12      ILE  17  -0.959  -0.072   6.691
 1367   HG13  ILE  17          HG11      ILE  17  -1.201   1.043   8.028
 1368   HG21  ILE  17          HG21      ILE  17  -0.762   0.764   4.426
 1369   HG22  ILE  17          HG22      ILE  17  -1.616   2.240   3.971
 1370   HG23  ILE  17          HG23      ILE  17  -2.522   0.837   4.545
 1371   HD11  ILE  17          HD11      ILE  17  -3.633   0.980   7.521
 1372   HD12  ILE  17          HD12      ILE  17  -2.950  -0.572   8.019
 1373   HD13  ILE  17          HD13      ILE  17  -3.288  -0.262   6.317
 1374    H    LEU  18           HN       LEU  18  -0.745   4.780   4.994
 1375    HA   LEU  18           HA       LEU  18   0.493   4.063   2.478
 1376    HB2  LEU  18           HB2      LEU  18  -1.062   6.393   3.537
 1377    HB3  LEU  18           HB1      LEU  18  -0.227   6.478   1.998
 1378    HG   LEU  18           HG       LEU  18  -2.073   4.186   2.439
 1379   HD11  LEU  18          HD11      LEU  18  -4.019   5.408   1.981
 1380   HD12  LEU  18          HD12      LEU  18  -3.111   6.857   1.561
 1381   HD13  LEU  18          HD13      LEU  18  -3.198   6.329   3.241
 1382   HD21  LEU  18          HD21      LEU  18  -0.785   4.317   0.395
 1383   HD22  LEU  18          HD22      LEU  18  -1.383   5.948   0.091
 1384   HD23  LEU  18          HD23      LEU  18  -2.493   4.577   0.043
 1385    H    MET  19           HN       MET  19   1.296   5.992   5.304
 1386    HA   MET  19           HA       MET  19   3.366   7.455   3.988
 1387    HB2  MET  19           HB2      MET  19   1.993   7.944   6.265
 1388    HB3  MET  19           HB1      MET  19   3.380   7.132   6.966
 1389    HG2  MET  19           HG2      MET  19   3.336   9.687   5.400
 1390    HG3  MET  19           HG1      MET  19   3.775   9.448   7.085
 1391    HE1  MET  19           HE1      MET  19   7.005  10.602   5.043
 1392    HE2  MET  19           HE2      MET  19   5.990  11.013   6.427
 1393    HE3  MET  19           HE3      MET  19   5.314  11.045   4.796
 1394    H    LYS  20           HN       LYS  20   3.278   4.555   6.076
 1395    HA   LYS  20           HA       LYS  20   6.095   4.236   6.152
 1396    HB2  LYS  20           HB2      LYS  20   4.921   2.863   7.663
 1397    HB3  LYS  20           HB1      LYS  20   3.776   2.339   6.432
 1398    HG2  LYS  20           HG2      LYS  20   5.031   0.552   6.007
 1399    HG3  LYS  20           HG1      LYS  20   6.396   1.587   5.604
 1400    HD2  LYS  20           HD2      LYS  20   7.095   1.669   7.848
 1401    HD3  LYS  20           HD1      LYS  20   5.639   0.836   8.391
 1402    HE2  LYS  20           HE2      LYS  20   7.387  -0.775   8.384
 1403    HE3  LYS  20           HE1      LYS  20   6.362  -1.121   6.995
 1404    HZ1  LYS  20           HZ1      LYS  20   7.949   0.027   5.581
 1405    HZ2  LYS  20           HZ2      LYS  20   8.701  -1.238   6.413
 1406    HZ3  LYS  20           HZ3      LYS  20   8.935   0.360   6.915
 1407    H    LEU  21           HN       LEU  21   3.564   3.599   3.953
 1408    HA   LEU  21           HA       LEU  21   5.044   1.840   2.259
 1409    HB2  LEU  21           HB2      LEU  21   2.469   2.097   2.545
 1410    HB3  LEU  21           HB1      LEU  21   2.627   3.417   1.406
 1411    HG   LEU  21           HG       LEU  21   2.970   0.488   0.965
 1412   HD11  LEU  21          HD11      LEU  21   1.374   0.765  -0.694
 1413   HD12  LEU  21          HD12      LEU  21   1.657   2.499  -0.806
 1414   HD13  LEU  21          HD13      LEU  21   0.834   1.831   0.602
 1415   HD21  LEU  21          HD21      LEU  21   4.999   1.354   0.029
 1416   HD22  LEU  21          HD22      LEU  21   4.124   2.661  -0.767
 1417   HD23  LEU  21          HD23      LEU  21   3.881   0.993  -1.286
 1418    H    LYS  22           HN       LYS  22   4.269   5.280   2.276
 1419    HA   LYS  22           HA       LYS  22   5.309   5.954  -0.223
 1420    HB2  LYS  22           HB2      LYS  22   4.083   7.643   0.837
 1421    HB3  LYS  22           HB1      LYS  22   4.902   7.409   2.372
 1422    HG2  LYS  22           HG2      LYS  22   6.985   8.308   1.155
 1423    HG3  LYS  22           HG1      LYS  22   5.835   8.888  -0.053
 1424    HD2  LYS  22           HD2      LYS  22   4.897  10.414   1.375
 1425    HD3  LYS  22           HD1      LYS  22   5.284   9.467   2.812
 1426    HE2  LYS  22           HE2      LYS  22   7.180  11.117   1.150
 1427    HE3  LYS  22           HE1      LYS  22   6.649  11.440   2.800
 1428    HZ1  LYS  22           HZ1      LYS  22   8.223   9.065   1.967
 1429    HZ2  LYS  22           HZ2      LYS  22   7.793   9.481   3.549
 1430    HZ3  LYS  22           HZ3      LYS  22   8.877  10.450   2.685
 1431    H    GLU  23           HN       GLU  23   6.756   5.515   2.941
 1432    HA   GLU  23           HA       GLU  23   9.384   6.322   2.223
 1433    HB2  GLU  23           HB2      GLU  23   8.346   4.578   4.463
 1434    HB3  GLU  23           HB1      GLU  23  10.034   5.042   4.296
 1435    HG2  GLU  23           HG2      GLU  23   9.473   7.365   4.564
 1436    HG3  GLU  23           HG1      GLU  23   7.754   6.983   4.577
 1437    H    SER  24           HN       SER  24   7.858   3.079   2.468
 1438    HA   SER  24           HA       SER  24  10.074   1.613   1.684
 1439    HB2  SER  24           HB2      SER  24   8.530  -0.172   1.160
 1440    HB3  SER  24           HB1      SER  24   7.998   0.658   2.617
 1441    HG   SER  24           HG       SER  24   6.192   0.535   1.439
 1442    H    LEU  25           HN       LEU  25   7.561   3.069  -0.389
 1443    HA   LEU  25           HA       LEU  25   8.542   2.012  -2.864
 1444    HB2  LEU  25           HB2      LEU  25   6.632   4.166  -2.055
 1445    HB3  LEU  25           HB1      LEU  25   7.197   4.096  -3.709
 1446    HG   LEU  25           HG       LEU  25   5.846   1.773  -2.339
 1447   HD11  LEU  25          HD11      LEU  25   4.288   3.611  -2.371
 1448   HD12  LEU  25          HD12      LEU  25   3.838   2.442  -3.611
 1449   HD13  LEU  25          HD13      LEU  25   4.655   3.937  -4.065
 1450   HD21  LEU  25          HD21      LEU  25   5.573   0.882  -4.527
 1451   HD22  LEU  25          HD22      LEU  25   7.271   1.339  -4.359
 1452   HD23  LEU  25          HD23      LEU  25   6.164   2.369  -5.274
 1453    H    GLU  26           HN       GLU  26   8.934   5.119  -1.231
 1454    HA   GLU  26           HA       GLU  26  10.594   6.148  -3.307
 1455    HB2  GLU  26           HB2      GLU  26  10.146   7.101  -0.475
 1456    HB3  GLU  26           HB1      GLU  26  11.188   7.945  -1.612
 1457    HG2  GLU  26           HG2      GLU  26   9.200   8.103  -3.144
 1458    HG3  GLU  26           HG1      GLU  26   8.222   7.511  -1.801
 1459    H    LEU  27           HN       LEU  27  11.238   4.431  -0.309
 1460    HA   LEU  27           HA       LEU  27  14.067   4.862  -0.364
 1461    HB2  LEU  27           HB2      LEU  27  12.248   3.020   1.145
 1462    HB3  LEU  27           HB1      LEU  27  13.983   2.773   1.186
 1463    HG   LEU  27           HG       LEU  27  12.683   5.378   1.968
 1464   HD11  LEU  27          HD11      LEU  27  13.518   3.084   3.737
 1465   HD12  LEU  27          HD12      LEU  27  11.863   3.612   3.430
 1466   HD13  LEU  27          HD13      LEU  27  12.982   4.671   4.287
 1467   HD21  LEU  27          HD21      LEU  27  15.426   4.223   2.461
 1468   HD22  LEU  27          HD22      LEU  27  14.830   5.756   3.100
 1469   HD23  LEU  27          HD23      LEU  27  15.029   5.545   1.361
 1470    H    MET  28           HN       MET  28  11.912   2.698  -1.976
 1471    HA   MET  28           HA       MET  28  13.816   0.650  -2.388
 1472    HB2  MET  28           HB2      MET  28  11.318   0.361  -2.716
 1473    HB3  MET  28           HB1      MET  28  11.475   1.269  -4.215
 1474    HG2  MET  28           HG2      MET  28  13.263  -0.520  -4.789
 1475    HG3  MET  28           HG1      MET  28  12.460  -1.461  -3.542
 1476    HE1  MET  28           HE1      MET  28   9.195  -1.452  -4.045
 1477    HE2  MET  28           HE2      MET  28  10.528  -2.499  -3.563
 1478    HE3  MET  28           HE3      MET  28   9.541  -2.914  -4.968
 1479    H    GLU  29           HN       GLU  29  13.690   3.797  -3.533
 1480    HA   GLU  29           HA       GLU  29  15.017   3.277  -6.078
 1481    HB2  GLU  29           HB2      GLU  29  14.507   5.419  -6.617
 1482    HB3  GLU  29           HB1      GLU  29  13.243   5.137  -5.429
 1483    HG2  GLU  29           HG2      GLU  29  14.697   6.191  -3.714
 1484    HG3  GLU  29           HG1      GLU  29  15.851   6.573  -4.988
 1485    H    LEU  30           HN       LEU  30  15.813   3.938  -2.776
 1486    HA   LEU  30           HA       LEU  30  18.435   5.007  -3.523
 1487    HB2  LEU  30           HB2      LEU  30  18.379   6.225  -1.662
 1488    HB3  LEU  30           HB1      LEU  30  16.680   5.822  -1.612
 1489    HG   LEU  30           HG       LEU  30  18.842   4.351  -0.119
 1490   HD11  LEU  30          HD11      LEU  30  17.991   5.456   1.862
 1491   HD12  LEU  30          HD12      LEU  30  16.789   6.311   0.892
 1492   HD13  LEU  30          HD13      LEU  30  18.504   6.658   0.676
 1493   HD21  LEU  30          HD21      LEU  30  17.057   2.847  -0.488
 1494   HD22  LEU  30          HD22      LEU  30  15.856   4.094  -0.150
 1495   HD23  LEU  30          HD23      LEU  30  16.859   3.464   1.152
 1496    H    VAL  31           HN       VAL  31  17.175   2.130  -3.281
 1497    HA   VAL  31           HA       VAL  31  19.408   0.926  -1.805
 1498    HB   VAL  31           HB       VAL  31  17.366  -0.004  -1.033
 1499   HG11  VAL  31          HG11      VAL  31  15.688  -1.001  -2.500
 1500   HG12  VAL  31          HG12      VAL  31  16.626  -0.507  -3.911
 1501   HG13  VAL  31          HG13      VAL  31  15.917   0.712  -2.851
 1502   HG21  VAL  31          HG21      VAL  31  17.505  -2.393  -2.052
 1503   HG22  VAL  31          HG22      VAL  31  18.862  -1.755  -1.126
 1504   HG23  VAL  31          HG23      VAL  31  18.919  -1.757  -2.888
 1505    HA   PRO  32           HA       PRO  32  21.605   0.370  -5.641
 1506    HB2  PRO  32           HB2      PRO  32  22.344  -2.166  -4.210
 1507    HB3  PRO  32           HB1      PRO  32  23.376  -1.061  -5.126
 1508    HG2  PRO  32           HG2      PRO  32  23.299  -0.997  -2.448
 1509    HG3  PRO  32           HG1      PRO  32  23.485   0.480  -3.409
 1510    HD2  PRO  32           HD2      PRO  32  21.164  -0.464  -1.849
 1511    HD3  PRO  32           HD1      PRO  32  21.580   1.181  -2.368
 1512    H    GLN  33           HN       GLN  33  20.707  -0.344  -7.465
 1513    HA   GLN  33           HA       GLN  33  18.480  -1.942  -7.653
 1514    HB2  GLN  33           HB2      GLN  33  19.165  -0.421  -9.416
 1515    HB3  GLN  33           HB1      GLN  33  20.569  -1.419  -9.766
 1516    HG2  GLN  33           HG2      GLN  33  19.122  -3.242 -10.464
 1517    HG3  GLN  33           HG1      GLN  33  17.701  -2.275 -10.074
 1518   HE21  GLN  33          HE21      GLN  33  18.892   0.190 -11.069
 1519   HE22  GLN  33          HE22      GLN  33  18.855   0.082 -12.793
 1520    HA   PRO  34           HA       PRO  34  21.344  -5.650  -9.023
 1521    HB2  PRO  34           HB2      PRO  34  23.647  -5.165  -7.206
 1522    HB3  PRO  34           HB1      PRO  34  23.632  -5.783  -8.861
 1523    HG2  PRO  34           HG2      PRO  34  24.434  -3.292  -8.333
 1524    HG3  PRO  34           HG1      PRO  34  23.497  -3.665  -9.792
 1525    HD2  PRO  34           HD2      PRO  34  22.603  -2.397  -7.234
 1526    HD3  PRO  34           HD1      PRO  34  22.135  -2.019  -8.905
 1527    H    LEU  35           HN       LEU  35  21.235  -4.237  -5.823
 1528    HA   LEU  35           HA       LEU  35  21.241  -6.743  -4.413
 1529    HB2  LEU  35           HB2      LEU  35  22.238  -4.782  -3.392
 1530    HB3  LEU  35           HB1      LEU  35  20.744  -3.886  -3.566
 1531    HG   LEU  35           HG       LEU  35  19.675  -5.377  -1.940
 1532   HD11  LEU  35          HD11      LEU  35  22.417  -6.566  -1.599
 1533   HD12  LEU  35          HD12      LEU  35  21.028  -7.376  -2.323
 1534   HD13  LEU  35          HD13      LEU  35  20.995  -6.924  -0.618
 1535   HD21  LEU  35          HD21      LEU  35  20.821  -4.528   0.030
 1536   HD22  LEU  35          HD22      LEU  35  20.702  -3.285  -1.216
 1537   HD23  LEU  35          HD23      LEU  35  22.229  -4.128  -0.955
 1538    H    VAL  36           HN       VAL  36  18.905  -4.498  -5.702
 1539    HA   VAL  36           HA       VAL  36  16.637  -5.527  -4.291
 1540    HB   VAL  36           HB       VAL  36  16.890  -3.887  -6.816
 1541   HG11  VAL  36          HG11      VAL  36  14.387  -4.883  -5.465
 1542   HG12  VAL  36          HG12      VAL  36  14.902  -5.178  -7.125
 1543   HG13  VAL  36          HG13      VAL  36  14.417  -3.557  -6.627
 1544   HG21  VAL  36          HG21      VAL  36  15.852  -3.224  -4.061
 1545   HG22  VAL  36          HG22      VAL  36  15.949  -2.113  -5.428
 1546   HG23  VAL  36          HG23      VAL  36  17.425  -2.761  -4.712
 1547    H    ASP  37           HN       ASP  37  18.078  -6.091  -7.470
 1548    HA   ASP  37           HA       ASP  37  16.259  -7.944  -8.477
 1549    HB2  ASP  37           HB2      ASP  37  18.041  -6.974  -9.845
 1550    HB3  ASP  37           HB1      ASP  37  19.257  -7.811  -8.884
 1551    H    SER  38           HN       SER  38  19.115  -8.408  -6.380
 1552    HA   SER  38           HA       SER  38  19.054 -11.184  -6.330
 1553    HB2  SER  38           HB2      SER  38  20.925  -9.907  -5.410
 1554    HB3  SER  38           HB1      SER  38  19.892  -9.285  -4.123
 1555    HG   SER  38           HG       SER  38  19.742 -11.950  -4.146
 1556    H    TYR  39           HN       TYR  39  17.388  -8.819  -4.287
 1557    HA   TYR  39           HA       TYR  39  16.169 -10.580  -2.492
 1558    HB2  TYR  39           HB2      TYR  39  16.014  -8.386  -1.806
 1559    HB3  TYR  39           HB1      TYR  39  15.643  -7.795  -3.422
 1560    HD1  TYR  39           HD1      TYR  39  14.202  -9.621  -0.528
 1561    HD2  TYR  39           HD2      TYR  39  13.418  -7.423  -4.085
 1562    HE1  TYR  39           HE1      TYR  39  11.817  -9.550   0.047
 1563    HE2  TYR  39           HE2      TYR  39  11.037  -7.347  -3.522
 1564    HH   TYR  39           HH       TYR  39   9.421  -8.518  -2.182
 1565    H    ARG  40           HN       ARG  40  15.016  -9.238  -5.567
 1566    HA   ARG  40           HA       ARG  40  12.475 -10.278  -5.599
 1567    HB2  ARG  40           HB2      ARG  40  14.416  -9.666  -7.815
 1568    HB3  ARG  40           HB1      ARG  40  12.783 -10.233  -8.151
 1569    HG2  ARG  40           HG2      ARG  40  11.876  -8.315  -6.926
 1570    HG3  ARG  40           HG1      ARG  40  13.518  -7.747  -6.619
 1571    HD2  ARG  40           HD2      ARG  40  13.895  -7.543  -9.028
 1572    HD3  ARG  40           HD1      ARG  40  12.254  -8.112  -9.334
 1573    HE   ARG  40           HE       ARG  40  11.954  -5.943  -7.690
 1574   HH11  ARG  40          HH11      ARG  40  13.440  -6.522 -10.788
 1575   HH12  ARG  40          HH12      ARG  40  13.155  -4.915 -11.369
 1576   HH21  ARG  40          HH21      ARG  40  11.575  -3.826  -8.446
 1577   HH22  ARG  40          HH22      ARG  40  12.095  -3.383 -10.037
 1578    H    GLN  41           HN       GLN  41  15.504 -11.757  -6.555
 1579    HA   GLN  41           HA       GLN  41  14.514 -14.123  -7.669
 1580    HB2  GLN  41           HB2      GLN  41  17.075 -13.763  -6.092
 1581    HB3  GLN  41           HB1      GLN  41  16.709 -15.140  -7.122
 1582    HG2  GLN  41           HG2      GLN  41  16.580 -13.625  -9.057
 1583    HG3  GLN  41           HG1      GLN  41  17.027 -12.283  -8.006
 1584   HE21  GLN  41          HE21      GLN  41  18.118 -15.172  -9.593
 1585   HE22  GLN  41          HE22      GLN  41  19.809 -14.910  -9.355
 1586    H    GLN  42           HN       GLN  42  15.474 -13.405  -4.326
 1587    HA   GLN  42           HA       GLN  42  14.815 -15.883  -3.198
 1588    HB2  GLN  42           HB2      GLN  42  16.130 -14.147  -2.043
 1589    HB3  GLN  42           HB1      GLN  42  14.688 -13.150  -1.905
 1590    HG2  GLN  42           HG2      GLN  42  13.650 -15.053  -0.610
 1591    HG3  GLN  42           HG1      GLN  42  15.255 -15.778  -0.564
 1592   HE21  GLN  42          HE21      GLN  42  16.620 -13.202  -0.329
 1593   HE22  GLN  42          HE22      GLN  42  16.344 -12.661   1.286
 1594    H    GLN  43           HN       GLN  43  12.849 -13.236  -4.224
 1595    HA   GLN  43           HA       GLN  43  10.498 -14.021  -2.768
 1596    HB2  GLN  43           HB2      GLN  43  10.641 -11.717  -3.276
 1597    HB3  GLN  43           HB1      GLN  43  11.049 -12.026  -4.956
 1598    HG2  GLN  43           HG2      GLN  43   8.421 -13.006  -4.036
 1599    HG3  GLN  43           HG1      GLN  43   8.626 -11.260  -4.145
 1600   HE21  GLN  43          HE21      GLN  43   8.374 -14.226  -5.892
 1601   HE22  GLN  43          HE22      GLN  43   8.293 -13.535  -7.473
 1602    H    GLN  44           HN       GLN  44  11.700 -14.357  -6.073
 1603    HA   GLN  44           HA       GLN  44   9.431 -15.537  -7.208
 1604    HB2  GLN  44           HB2      GLN  44  11.714 -14.703  -8.260
 1605    HB3  GLN  44           HB1      GLN  44  12.150 -16.399  -8.093
 1606    HG2  GLN  44           HG2      GLN  44  11.295 -16.025 -10.296
 1607    HG3  GLN  44           HG1      GLN  44  10.139 -17.005  -9.393
 1608   HE21  GLN  44          HE21      GLN  44   8.188 -16.068  -8.715
 1609   HE22  GLN  44          HE22      GLN  44   7.577 -14.622  -9.437
 1610    H    LEU  45           HN       LEU  45  11.802 -16.747  -5.043
 1611    HA   LEU  45           HA       LEU  45  11.748 -19.480  -5.506
 1612    HB2  LEU  45           HB2      LEU  45  13.291 -18.870  -3.918
 1613    HB3  LEU  45           HB1      LEU  45  12.198 -17.751  -3.130
 1614    HG   LEU  45           HG       LEU  45  10.942 -19.877  -2.346
 1615   HD11  LEU  45          HD11      LEU  45  12.100 -21.470  -3.757
 1616   HD12  LEU  45          HD12      LEU  45  12.400 -21.828  -2.056
 1617   HD13  LEU  45          HD13      LEU  45  13.642 -21.031  -3.023
 1618   HD21  LEU  45          HD21      LEU  45  13.608 -18.982  -1.280
 1619   HD22  LEU  45          HD22      LEU  45  12.551 -20.106  -0.426
 1620   HD23  LEU  45          HD23      LEU  45  12.000 -18.466  -0.768
 1621    H    LEU  46           HN       LEU  46   9.597 -17.581  -3.386
 1622    HA   LEU  46           HA       LEU  46   7.747 -19.868  -3.363
 1623    HB2  LEU  46           HB2      LEU  46   8.715 -18.129  -1.283
 1624    HB3  LEU  46           HB1      LEU  46   6.968 -18.033  -1.385
 1625    HG   LEU  46           HG       LEU  46   7.677 -19.702   0.253
 1626   HD11  LEU  46          HD11      LEU  46   6.311 -21.541  -0.506
 1627   HD12  LEU  46          HD12      LEU  46   6.449 -20.995  -2.177
 1628   HD13  LEU  46          HD13      LEU  46   5.577 -20.015  -0.998
 1629   HD21  LEU  46          HD21      LEU  46   9.816 -20.300  -0.817
 1630   HD22  LEU  46          HD22      LEU  46   8.925 -21.155  -2.076
 1631   HD23  LEU  46          HD23      LEU  46   8.845 -21.713  -0.405
 1632    H    GLN  47           HN       GLN  47   7.295 -16.393  -2.725
 1633    HA   GLN  47           HA       GLN  47   5.730 -14.909  -3.463
 1634    HB2  GLN  47           HB2      GLN  47   6.941 -15.827  -5.681
 1635    HB3  GLN  47           HB1      GLN  47   5.302 -16.372  -6.013
 1636    HG2  GLN  47           HG2      GLN  47   6.162 -13.546  -5.446
 1637    HG3  GLN  47           HG1      GLN  47   5.709 -14.209  -7.015
 1638   HE21  GLN  47          HE21      GLN  47   4.583 -13.110  -3.927
 1639   HE22  GLN  47          HE22      GLN  47   2.904 -13.045  -4.331
 1640    H    ARG  48           HN       ARG  48   4.856 -17.168  -1.954
 1641    HA   ARG  48           HA       ARG  48   2.063 -16.953  -2.350
 1642    HB2  ARG  48           HB2      ARG  48   1.529 -19.257  -2.912
 1643    HB3  ARG  48           HB1      ARG  48   2.533 -18.545  -4.167
 1644    HG2  ARG  48           HG2      ARG  48   4.479 -19.691  -3.281
 1645    HG3  ARG  48           HG1      ARG  48   3.496 -20.378  -1.986
 1646    HD2  ARG  48           HD2      ARG  48   2.108 -21.508  -3.678
 1647    HD3  ARG  48           HD1      ARG  48   3.150 -20.861  -4.944
 1648    HE   ARG  48           HE       ARG  48   4.787 -22.227  -3.171
 1649   HH11  ARG  48          HH11      ARG  48   2.141 -22.944  -5.322
 1650   HH12  ARG  48          HH12      ARG  48   2.661 -24.568  -5.628
 1651   HH21  ARG  48          HH21      ARG  48   5.479 -24.366  -3.569
 1652   HH22  ARG  48          HH22      ARG  48   4.557 -25.375  -4.633
  Start of MODEL   13
    1    H    ASP   1           HT1      ASP   1   8.152 -16.972  15.255
    2    HA   ASP   1           HA       ASP   1   6.569 -16.040  13.701
    3    HB2  ASP   1           HB2      ASP   1   7.077 -14.264  16.101
    4    HB3  ASP   1           HB1      ASP   1   5.555 -14.402  15.225
    5    H    GLU   2           HN       GLU   2   5.683 -13.539  13.485
    6    HA   GLU   2           HA       GLU   2   5.795 -11.834  11.965
    7    HB2  GLU   2           HB2      GLU   2   7.323 -10.081  12.606
    8    HB3  GLU   2           HB1      GLU   2   6.693 -10.854  14.052
    9    HG2  GLU   2           HG2      GLU   2   8.775 -12.120  14.275
   10    HG3  GLU   2           HG1      GLU   2   9.404 -11.328  12.831
   11    H    ASP   3           HN       ASP   3   7.048 -14.285  11.017
   12    HA   ASP   3           HA       ASP   3   9.302 -13.331   9.433
   13    HB2  ASP   3           HB2      ASP   3   8.014 -16.070   9.536
   14    HB3  ASP   3           HB1      ASP   3   9.498 -15.664   8.682
   15    H    THR   4           HN       THR   4   8.502 -15.287   7.231
   16    HA   THR   4           HA       THR   4   7.054 -13.363   5.692
   17    HB   THR   4           HB       THR   4   7.221 -16.064   4.573
   18    HG1  THR   4           HG1      THR   4   9.650 -15.146   4.247
   19   HG21  THR   4          HG21      THR   4   8.063 -13.325   3.625
   20   HG22  THR   4          HG22      THR   4   6.576 -14.175   3.196
   21   HG23  THR   4          HG23      THR   4   8.135 -14.792   2.647
   22    H    TYR   5           HN       TYR   5   5.056 -13.444   4.903
   23    HA   TYR   5           HA       TYR   5   3.171 -15.300   6.197
   24    HB2  TYR   5           HB2      TYR   5   3.007 -12.337   5.823
   25    HB3  TYR   5           HB1      TYR   5   1.602 -13.338   6.181
   26    HD1  TYR   5           HD1      TYR   5   1.689 -14.781   8.294
   27    HD2  TYR   5           HD2      TYR   5   4.389 -11.581   7.549
   28    HE1  TYR   5           HE1      TYR   5   2.214 -14.675  10.692
   29    HE2  TYR   5           HE2      TYR   5   4.917 -11.462   9.946
   30    HH   TYR   5           HH       TYR   5   4.100 -12.105  12.053
   31    H    TYR   6           HN       TYR   6   1.072 -15.471   4.886
   32    HA   TYR   6           HA       TYR   6   1.564 -14.773   2.078
   33    HB2  TYR   6           HB2      TYR   6  -0.401 -16.881   2.996
   34    HB3  TYR   6           HB1      TYR   6   0.286 -16.665   1.391
   35    HD1  TYR   6           HD2      TYR   6   3.160 -16.346   2.114
   36    HD2  TYR   6           HD1      TYR   6   0.233 -19.086   3.525
   37    HE1  TYR   6           HE2      TYR   6   4.939 -17.953   2.630
   38    HE2  TYR   6           HE1      TYR   6   2.003 -20.710   4.058
   39    HH   TYR   6           HH       TYR   6   4.310 -21.213   3.375
   40    H    LEU   7           HN       LEU   7   0.305 -13.428   1.082
   41    HA   LEU   7           HA       LEU   7  -2.119 -12.436   2.453
   42    HB2  LEU   7           HB2      LEU   7   0.202 -11.171   1.631
   43    HB3  LEU   7           HB1      LEU   7  -0.906 -10.846   0.329
   44    HG   LEU   7           HG       LEU   7  -2.072  -9.338   1.522
   45   HD11  LEU   7          HD11      LEU   7  -3.191 -10.167   3.249
   46   HD12  LEU   7          HD12      LEU   7  -1.834  -9.585   4.215
   47   HD13  LEU   7          HD13      LEU   7  -1.888 -11.266   3.686
   48   HD21  LEU   7          HD21      LEU   7  -0.615  -8.028   2.905
   49   HD22  LEU   7          HD22      LEU   7   0.300  -8.711   1.557
   50   HD23  LEU   7          HD23      LEU   7   0.435  -9.422   3.166
   51    H    GLN   8           HN       GLN   8  -3.850 -13.504   1.449
   52    HA   GLN   8           HA       GLN   8  -3.720 -13.970  -1.348
   53    HB2  GLN   8           HB2      GLN   8  -5.098 -15.106   0.707
   54    HB3  GLN   8           HB1      GLN   8  -6.357 -14.181  -0.101
   55    HG2  GLN   8           HG2      GLN   8  -5.403 -15.289  -2.246
   56    HG3  GLN   8           HG1      GLN   8  -4.740 -16.461  -1.111
   57   HE21  GLN   8          HE21      GLN   8  -7.126 -15.999   0.676
   58   HE22  GLN   8          HE22      GLN   8  -8.391 -16.916  -0.056
   59    H    VAL   9           HN       VAL   9  -4.103 -12.567  -2.868
   60    HA   VAL   9           HA       VAL   9  -5.954 -10.404  -2.249
   61    HB   VAL   9           HB       VAL   9  -3.359 -10.303  -3.770
   62   HG11  VAL   9          HG11      VAL   9  -3.912  -7.940  -4.315
   63   HG12  VAL   9          HG12      VAL   9  -5.572  -8.269  -3.816
   64   HG13  VAL   9          HG13      VAL   9  -4.871  -9.137  -5.183
   65   HG21  VAL   9          HG21      VAL   9  -4.388  -8.554  -1.551
   66   HG22  VAL   9          HG22      VAL   9  -2.750  -8.610  -2.203
   67   HG23  VAL   9          HG23      VAL   9  -3.389  -9.986  -1.303
   68    H    ARG  10           HN       ARG  10  -7.632 -10.112  -3.626
   69    HA   ARG  10           HA       ARG  10  -7.690 -11.883  -5.968
   70    HB2  ARG  10           HB2      ARG  10  -9.519 -11.922  -4.130
   71    HB3  ARG  10           HB1      ARG  10 -10.079 -10.422  -4.855
   72    HG2  ARG  10           HG2      ARG  10  -9.680 -12.852  -6.546
   73    HG3  ARG  10           HG1      ARG  10 -11.141 -12.665  -5.576
   74    HD2  ARG  10           HD2      ARG  10 -11.589 -10.521  -6.678
   75    HD3  ARG  10           HD1      ARG  10 -10.134 -10.721  -7.652
   76    HE   ARG  10           HE       ARG  10 -11.797 -12.963  -7.990
   77   HH11  ARG  10          HH11      ARG  10 -11.648  -9.575  -8.797
   78   HH12  ARG  10          HH12      ARG  10 -12.587  -9.748 -10.242
   79   HH21  ARG  10          HH21      ARG  10 -13.032 -13.197  -9.891
   80   HH22  ARG  10          HH22      ARG  10 -13.375 -11.805 -10.863
   81    H    GLY  11           HN       GLY  11  -7.897 -11.153  -7.982
   82    HA2  GLY  11           HA2      GLY  11  -8.387  -9.558  -9.665
   83    HA3  GLY  11           HA1      GLY  11  -8.458  -8.310  -8.428
   84    H    ARG  12           HN       ARG  12  -6.769  -9.217 -11.017
   85    HA   ARG  12           HA       ARG  12  -4.091  -9.219 -10.342
   86    HB2  ARG  12           HB2      ARG  12  -5.244  -9.523 -12.643
   87    HB3  ARG  12           HB1      ARG  12  -5.056  -7.781 -12.792
   88    HG2  ARG  12           HG2      ARG  12  -3.205  -8.768 -13.879
   89    HG3  ARG  12           HG1      ARG  12  -2.607  -8.113 -12.354
   90    HD2  ARG  12           HD2      ARG  12  -2.799 -10.364 -11.355
   91    HD3  ARG  12           HD1      ARG  12  -3.294 -10.992 -12.926
   92    HE   ARG  12           HE       ARG  12  -0.700  -9.647 -12.660
   93   HH11  ARG  12          HH11      ARG  12  -2.559 -12.528 -13.287
   94   HH12  ARG  12          HH12      ARG  12  -1.206 -13.424 -13.891
   95   HH21  ARG  12          HH21      ARG  12   1.085 -10.820 -13.456
   96   HH22  ARG  12          HH22      ARG  12   0.864 -12.454 -13.986
   97    H    GLU  13           HN       GLU  13  -6.055  -6.300 -11.047
   98    HA   GLU  13           HA       GLU  13  -4.020  -4.458 -10.874
   99    HB2  GLU  13           HB2      GLU  13  -6.271  -3.869 -11.594
  100    HB3  GLU  13           HB1      GLU  13  -6.886  -4.137  -9.968
  101    HG2  GLU  13           HG2      GLU  13  -5.641  -2.268  -9.127
  102    HG3  GLU  13           HG1      GLU  13  -4.838  -2.052 -10.681
  103    H    ASN  14           HN       ASN  14  -5.989  -5.732  -8.204
  104    HA   ASN  14           HA       ASN  14  -4.811  -4.158  -6.161
  105    HB2  ASN  14           HB2      ASN  14  -6.158  -6.855  -5.921
  106    HB3  ASN  14           HB1      ASN  14  -5.911  -5.683  -4.629
  107   HD21  ASN  14          HD21      ASN  14  -8.390  -6.816  -5.536
  108   HD22  ASN  14          HD22      ASN  14  -9.376  -5.504  -6.074
  109    H    PHE  15           HN       PHE  15  -4.192  -7.442  -7.352
  110    HA   PHE  15           HA       PHE  15  -2.240  -8.195  -5.520
  111    HB2  PHE  15           HB2      PHE  15  -3.349  -9.703  -7.151
  112    HB3  PHE  15           HB1      PHE  15  -2.396  -8.972  -8.437
  113    HD1  PHE  15           HD2      PHE  15  -1.330  -9.959  -5.001
  114    HD2  PHE  15           HD1      PHE  15  -1.039 -10.689  -9.193
  115    HE1  PHE  15           HE2      PHE  15   0.456 -11.573  -4.589
  116    HE2  PHE  15           HE1      PHE  15   0.778 -12.304  -8.772
  117    HZ   PHE  15           HZ       PHE  15   1.523 -12.742  -6.461
  118    H    GLU  16           HN       GLU  16  -1.873  -6.537  -8.641
  119    HA   GLU  16           HA       GLU  16   0.957  -6.379  -8.649
  120    HB2  GLU  16           HB2      GLU  16  -1.115  -4.613  -9.958
  121    HB3  GLU  16           HB1      GLU  16   0.609  -4.562 -10.302
  122    HG2  GLU  16           HG2      GLU  16   0.545  -6.827 -11.140
  123    HG3  GLU  16           HG1      GLU  16  -1.160  -6.962 -10.714
  124    H    ILE  17           HN       ILE  17  -1.464  -4.017  -7.488
  125    HA   ILE  17           HA       ILE  17   0.446  -2.054  -6.819
  126    HB   ILE  17           HB       ILE  17  -2.394  -2.509  -6.200
  127   HG12  ILE  17          HG12      ILE  17  -0.982   0.111  -6.593
  128   HG13  ILE  17          HG11      ILE  17  -1.251  -0.969  -7.955
  129   HG21  ILE  17          HG21      ILE  17  -0.710  -0.772  -4.397
  130   HG22  ILE  17          HG22      ILE  17  -1.547  -2.254  -3.925
  131   HG23  ILE  17          HG23      ILE  17  -2.475  -0.834  -4.413
  132   HD11  ILE  17          HD11      ILE  17  -3.623  -0.818  -7.670
  133   HD12  ILE  17          HD12      ILE  17  -2.951   0.816  -7.698
  134   HD13  ILE  17          HD13      ILE  17  -3.429   0.083  -6.165
  135    H    LEU  18           HN       LEU  18  -0.911  -4.765  -4.935
  136    HA   LEU  18           HA       LEU  18   0.445  -4.028  -2.520
  137    HB2  LEU  18           HB2      LEU  18  -1.128  -6.401  -3.459
  138    HB3  LEU  18           HB1      LEU  18  -0.238  -6.448  -1.950
  139    HG   LEU  18           HG       LEU  18  -2.078  -4.153  -2.337
  140   HD11  LEU  18          HD11      LEU  18  -3.278  -6.220  -3.179
  141   HD12  LEU  18          HD12      LEU  18  -4.041  -5.358  -1.843
  142   HD13  LEU  18          HD13      LEU  18  -3.143  -6.842  -1.535
  143   HD21  LEU  18          HD21      LEU  18  -2.514  -4.689   0.070
  144   HD22  LEU  18          HD22      LEU  18  -0.842  -4.270  -0.304
  145   HD23  LEU  18          HD23      LEU  18  -1.295  -5.957  -0.057
  146    H    MET  19           HN       MET  19   0.998  -6.287  -5.189
  147    HA   MET  19           HA       MET  19   3.164  -7.653  -4.046
  148    HB2  MET  19           HB2      MET  19   1.784  -8.020  -6.326
  149    HB3  MET  19           HB1      MET  19   3.170  -7.186  -7.001
  150    HG2  MET  19           HG2      MET  19   3.158  -9.782  -5.495
  151    HG3  MET  19           HG1      MET  19   3.492  -9.531  -7.202
  152    HE1  MET  19           HE1      MET  19   6.829 -10.735  -5.416
  153    HE2  MET  19           HE2      MET  19   5.656 -11.135  -6.668
  154    HE3  MET  19           HE3      MET  19   5.169 -11.136  -4.971
  155    H    LYS  20           HN       LYS  20   3.152  -4.869  -6.236
  156    HA   LYS  20           HA       LYS  20   5.903  -4.373  -6.311
  157    HB2  LYS  20           HB2      LYS  20   3.853  -3.250  -7.522
  158    HB3  LYS  20           HB1      LYS  20   3.931  -2.132  -6.168
  159    HG2  LYS  20           HG2      LYS  20   6.353  -2.747  -7.819
  160    HG3  LYS  20           HG1      LYS  20   5.178  -1.529  -8.318
  161    HD2  LYS  20           HD2      LYS  20   5.491  -0.461  -6.060
  162    HD3  LYS  20           HD1      LYS  20   6.839  -1.571  -5.807
  163    HE2  LYS  20           HE2      LYS  20   6.619   0.337  -8.128
  164    HE3  LYS  20           HE1      LYS  20   7.508   0.678  -6.645
  165    HZ1  LYS  20           HZ1      LYS  20   8.060  -1.581  -8.494
  166    HZ2  LYS  20           HZ2      LYS  20   8.933  -1.210  -7.093
  167    HZ3  LYS  20           HZ3      LYS  20   8.954  -0.147  -8.408
  168    H    LEU  21           HN       LEU  21   3.418  -3.586  -3.980
  169    HA   LEU  21           HA       LEU  21   5.064  -1.961  -2.338
  170    HB2  LEU  21           HB2      LEU  21   2.465  -2.155  -2.525
  171    HB3  LEU  21           HB1      LEU  21   2.642  -3.444  -1.358
  172    HG   LEU  21           HG       LEU  21   3.068  -0.512  -1.010
  173   HD11  LEU  21          HD11      LEU  21   0.883  -1.605  -0.558
  174   HD12  LEU  21          HD12      LEU  21   1.586  -0.783   0.834
  175   HD13  LEU  21          HD13      LEU  21   1.670  -2.538   0.713
  176   HD21  LEU  21          HD21      LEU  21   4.161  -2.649   0.812
  177   HD22  LEU  21          HD22      LEU  21   4.071  -0.926   1.186
  178   HD23  LEU  21          HD23      LEU  21   5.106  -1.491  -0.126
  179    H    LYS  22           HN       LYS  22   4.177  -5.397  -2.163
  180    HA   LYS  22           HA       LYS  22   5.298  -6.025   0.289
  181    HB2  LYS  22           HB2      LYS  22   4.033  -7.694  -0.901
  182    HB3  LYS  22           HB1      LYS  22   5.140  -7.638  -2.266
  183    HG2  LYS  22           HG2      LYS  22   6.630  -8.284   0.067
  184    HG3  LYS  22           HG1      LYS  22   5.213  -9.330  -0.002
  185    HD2  LYS  22           HD2      LYS  22   6.945  -8.901  -2.412
  186    HD3  LYS  22           HD1      LYS  22   7.363 -10.101  -1.188
  187    HE2  LYS  22           HE2      LYS  22   4.940 -10.934  -1.510
  188    HE3  LYS  22           HE1      LYS  22   4.988 -10.010  -3.011
  189    HZ1  LYS  22           HZ1      LYS  22   5.612 -12.280  -3.424
  190    HZ2  LYS  22           HZ2      LYS  22   6.822 -12.216  -2.245
  191    HZ3  LYS  22           HZ3      LYS  22   6.965 -11.289  -3.652
  192    H    GLU  23           HN       GLU  23   6.698  -5.635  -2.867
  193    HA   GLU  23           HA       GLU  23   9.354  -6.392  -2.230
  194    HB2  GLU  23           HB2      GLU  23   8.392  -6.250  -4.538
  195    HB3  GLU  23           HB1      GLU  23   8.357  -4.502  -4.378
  196    HG2  GLU  23           HG2      GLU  23  10.450  -4.349  -5.037
  197    HG3  GLU  23           HG1      GLU  23  10.983  -5.474  -3.790
  198    H    SER  24           HN       SER  24   7.712  -3.221  -2.319
  199    HA   SER  24           HA       SER  24   9.941  -1.730  -1.645
  200    HB2  SER  24           HB2      SER  24   7.221  -0.933  -0.635
  201    HB3  SER  24           HB1      SER  24   8.484   0.083  -1.328
  202    HG   SER  24           HG       SER  24   6.419  -0.983  -2.565
  203    H    LEU  25           HN       LEU  25   7.452  -3.034   0.541
  204    HA   LEU  25           HA       LEU  25   8.535  -2.041   2.958
  205    HB2  LEU  25           HB2      LEU  25   6.662  -4.267   2.256
  206    HB3  LEU  25           HB1      LEU  25   7.220  -4.058   3.904
  207    HG   LEU  25           HG       LEU  25   5.857  -1.859   2.359
  208   HD11  LEU  25          HD11      LEU  25   4.285  -3.655   2.475
  209   HD12  LEU  25          HD12      LEU  25   3.843  -2.455   3.689
  210   HD13  LEU  25          HD13      LEU  25   4.661  -3.941   4.174
  211   HD21  LEU  25          HD21      LEU  25   6.245  -2.273   5.320
  212   HD22  LEU  25          HD22      LEU  25   5.512  -0.872   4.530
  213   HD23  LEU  25          HD23      LEU  25   7.230  -1.213   4.310
  214    H    GLU  26           HN       GLU  26   9.014  -5.147   1.313
  215    HA   GLU  26           HA       GLU  26  10.622  -6.250   3.374
  216    HB2  GLU  26           HB2      GLU  26  10.198  -6.967   0.491
  217    HB3  GLU  26           HB1      GLU  26  11.361  -7.829   1.490
  218    HG2  GLU  26           HG2      GLU  26   9.412  -8.170   3.118
  219    HG3  GLU  26           HG1      GLU  26   8.384  -7.696   1.766
  220    H    LEU  27           HN       LEU  27  11.410  -4.563   0.356
  221    HA   LEU  27           HA       LEU  27  14.218  -4.848   0.433
  222    HB2  LEU  27           HB2      LEU  27  12.356  -2.902  -0.866
  223    HB3  LEU  27           HB1      LEU  27  14.091  -2.666  -0.934
  224    HG   LEU  27           HG       LEU  27  12.653  -5.116  -1.958
  225   HD11  LEU  27          HD11      LEU  27  13.861  -2.838  -3.511
  226   HD12  LEU  27          HD12      LEU  27  12.137  -3.056  -3.220
  227   HD13  LEU  27          HD13      LEU  27  13.028  -4.248  -4.166
  228   HD21  LEU  27          HD21      LEU  27  14.787  -5.668  -3.008
  229   HD22  LEU  27          HD22      LEU  27  14.976  -5.540  -1.259
  230   HD23  LEU  27          HD23      LEU  27  15.520  -4.226  -2.303
  231    H    MET  28           HN       MET  28  12.129  -2.416   2.020
  232    HA   MET  28           HA       MET  28  14.151  -0.643   2.551
  233    HB2  MET  28           HB2      MET  28  11.968  -1.302   4.544
  234    HB3  MET  28           HB1      MET  28  12.880   0.196   4.463
  235    HG2  MET  28           HG2      MET  28  11.779   0.904   2.551
  236    HG3  MET  28           HG1      MET  28  11.197  -0.715   2.176
  237    HE1  MET  28           HE1      MET  28  10.933   2.124   4.994
  238    HE2  MET  28           HE2      MET  28   9.225   2.449   4.694
  239    HE3  MET  28           HE3      MET  28  10.395   2.591   3.379
  240    H    GLU  29           HN       GLU  29  14.023  -3.841   3.760
  241    HA   GLU  29           HA       GLU  29  15.588  -3.222   6.127
  242    HB2  GLU  29           HB2      GLU  29  15.233  -5.412   6.784
  243    HB3  GLU  29           HB1      GLU  29  13.756  -5.035   5.909
  244    HG2  GLU  29           HG2      GLU  29  14.715  -6.150   3.914
  245    HG3  GLU  29           HG1      GLU  29  16.106  -6.614   4.889
  246    H    LEU  30           HN       LEU  30  16.106  -4.031   2.837
  247    HA   LEU  30           HA       LEU  30  18.762  -5.089   3.389
  248    HB2  LEU  30           HB2      LEU  30  18.591  -6.238   1.487
  249    HB3  LEU  30           HB1      LEU  30  16.892  -5.835   1.564
  250    HG   LEU  30           HG       LEU  30  18.944  -4.287  -0.005
  251   HD11  LEU  30          HD11      LEU  30  18.624  -6.557  -0.878
  252   HD12  LEU  30          HD12      LEU  30  17.958  -5.342  -1.969
  253   HD13  LEU  30          HD13      LEU  30  16.883  -6.282  -0.935
  254   HD21  LEU  30          HD21      LEU  30  17.067  -2.909   0.628
  255   HD22  LEU  30          HD22      LEU  30  15.943  -4.141   0.055
  256   HD23  LEU  30          HD23      LEU  30  16.978  -3.291  -1.090
  257    H    VAL  31           HN       VAL  31  17.435  -2.174   3.205
  258    HA   VAL  31           HA       VAL  31  19.655  -0.925   1.762
  259    HB   VAL  31           HB       VAL  31  17.644   0.812   3.027
  260   HG11  VAL  31          HG11      VAL  31  19.280   0.702   0.585
  261   HG12  VAL  31          HG12      VAL  31  18.939   2.049   1.673
  262   HG13  VAL  31          HG13      VAL  31  17.745   1.558   0.475
  263   HG21  VAL  31          HG21      VAL  31  16.087  -0.859   2.410
  264   HG22  VAL  31          HG22      VAL  31  16.864  -1.104   0.849
  265   HG23  VAL  31          HG23      VAL  31  15.997   0.395   1.174
  266    HA   PRO  32           HA       PRO  32  21.906  -0.526   5.596
  267    HB2  PRO  32           HB2      PRO  32  22.687   2.038   4.240
  268    HB3  PRO  32           HB1      PRO  32  23.703   0.879   5.106
  269    HG2  PRO  32           HG2      PRO  32  23.610   0.908   2.432
  270    HG3  PRO  32           HG1      PRO  32  23.751  -0.609   3.337
  271    HD2  PRO  32           HD2      PRO  32  21.442   0.487   1.847
  272    HD3  PRO  32           HD1      PRO  32  21.826  -1.198   2.256
  273    H    GLN  33           HN       GLN  33  21.063   0.194   7.464
  274    HA   GLN  33           HA       GLN  33  18.836   1.780   7.718
  275    HB2  GLN  33           HB2      GLN  33  19.697   0.303   9.489
  276    HB3  GLN  33           HB1      GLN  33  21.016   1.429   9.780
  277    HG2  GLN  33           HG2      GLN  33  19.410   3.147  10.435
  278    HG3  GLN  33           HG1      GLN  33  18.087   2.020  10.141
  279   HE21  GLN  33          HE21      GLN  33  17.760   0.305  11.561
  280   HE22  GLN  33          HE22      GLN  33  18.471   0.268  13.135
  281    HA   PRO  34           HA       PRO  34  21.783   5.573   8.775
  282    HB2  PRO  34           HB2      PRO  34  23.958   4.954   6.851
  283    HB3  PRO  34           HB1      PRO  34  24.050   5.665   8.466
  284    HG2  PRO  34           HG2      PRO  34  24.802   3.146   8.044
  285    HG3  PRO  34           HG1      PRO  34  23.937   3.604   9.523
  286    HD2  PRO  34           HD2      PRO  34  22.913   2.218   7.078
  287    HD3  PRO  34           HD1      PRO  34  22.533   1.920   8.786
  288    H    LEU  35           HN       LEU  35  21.492   4.048   5.615
  289    HA   LEU  35           HA       LEU  35  21.462   6.529   4.164
  290    HB2  LEU  35           HB2      LEU  35  22.338   4.394   3.238
  291    HB3  LEU  35           HB1      LEU  35  20.716   3.736   3.287
  292    HG   LEU  35           HG       LEU  35  19.980   5.310   1.612
  293   HD11  LEU  35          HD11      LEU  35  22.790   6.381   1.641
  294   HD12  LEU  35          HD12      LEU  35  21.355   7.222   2.228
  295   HD13  LEU  35          HD13      LEU  35  21.515   6.844   0.512
  296   HD21  LEU  35          HD21      LEU  35  21.368   4.552  -0.278
  297   HD22  LEU  35          HD22      LEU  35  20.916   3.243   0.813
  298   HD23  LEU  35          HD23      LEU  35  22.543   3.920   0.876
  299    H    VAL  36           HN       VAL  36  19.126   4.316   5.533
  300    HA   VAL  36           HA       VAL  36  16.823   5.484   4.232
  301    HB   VAL  36           HB       VAL  36  17.035   3.717   6.689
  302   HG11  VAL  36          HG11      VAL  36  14.590   3.411   6.440
  303   HG12  VAL  36          HG12      VAL  36  14.587   4.681   5.216
  304   HG13  VAL  36          HG13      VAL  36  15.041   5.059   6.877
  305   HG21  VAL  36          HG21      VAL  36  17.668   2.594   4.622
  306   HG22  VAL  36          HG22      VAL  36  16.161   3.111   3.863
  307   HG23  VAL  36          HG23      VAL  36  16.125   1.976   5.214
  308    H    ASP  37           HN       ASP  37  18.517   5.914   7.295
  309    HA   ASP  37           HA       ASP  37  16.685   7.666   8.491
  310    HB2  ASP  37           HB2      ASP  37  18.577   6.694   9.725
  311    HB3  ASP  37           HB1      ASP  37  19.707   7.611   8.733
  312    H    SER  38           HN       SER  38  19.445   8.266   6.298
  313    HA   SER  38           HA       SER  38  19.280  11.048   6.256
  314    HB2  SER  38           HB2      SER  38  21.157   9.771   5.291
  315    HB3  SER  38           HB1      SER  38  20.099   9.202   4.000
  316    HG   SER  38           HG       SER  38  21.145  10.955   3.188
  317    H    TYR  39           HN       TYR  39  17.632   8.657   4.196
  318    HA   TYR  39           HA       TYR  39  16.324  10.485   2.532
  319    HB2  TYR  39           HB2      TYR  39  16.218   8.296   1.761
  320    HB3  TYR  39           HB1      TYR  39  15.784   7.653   3.343
  321    HD1  TYR  39           HD2      TYR  39  14.468   9.636   0.488
  322    HD2  TYR  39           HD1      TYR  39  13.549   7.306   3.923
  323    HE1  TYR  39           HE2      TYR  39  12.095   9.660  -0.139
  324    HE2  TYR  39           HE1      TYR  39  11.178   7.330   3.308
  325    HH   TYR  39           HH       TYR  39   9.624   8.630   1.990
  326    H    ARG  40           HN       ARG  40  15.361   9.024   5.597
  327    HA   ARG  40           HA       ARG  40  12.781  10.027   5.810
  328    HB2  ARG  40           HB2      ARG  40  14.347   8.462   7.361
  329    HB3  ARG  40           HB1      ARG  40  14.390   9.950   8.296
  330    HG2  ARG  40           HG2      ARG  40  11.997   9.958   8.493
  331    HG3  ARG  40           HG1      ARG  40  11.868   8.566   7.416
  332    HD2  ARG  40           HD2      ARG  40  13.198   7.253   9.058
  333    HD3  ARG  40           HD1      ARG  40  13.134   8.636  10.150
  334    HE   ARG  40           HE       ARG  40  10.547   7.771   9.267
  335   HH11  ARG  40          HH11      ARG  40  13.085   7.239  11.595
  336   HH12  ARG  40          HH12      ARG  40  12.032   6.527  12.772
  337   HH21  ARG  40          HH21      ARG  40   9.154   6.834  10.810
  338   HH22  ARG  40          HH22      ARG  40   9.798   6.295  12.325
  339    H    GLN  41           HN       GLN  41  15.862  11.562   6.480
  340    HA   GLN  41           HA       GLN  41  14.849  13.892   7.759
  341    HB2  GLN  41           HB2      GLN  41  17.384  13.522   6.147
  342    HB3  GLN  41           HB1      GLN  41  17.031  14.896   7.187
  343    HG2  GLN  41           HG2      GLN  41  16.919  13.363   9.116
  344    HG3  GLN  41           HG1      GLN  41  17.374  12.035   8.051
  345   HE21  GLN  41          HE21      GLN  41  18.442  14.924   9.654
  346   HE22  GLN  41          HE22      GLN  41  20.134  14.682   9.405
  347    H    GLN  42           HN       GLN  42  15.755  13.250   4.376
  348    HA   GLN  42           HA       GLN  42  15.050  15.779   3.378
  349    HB2  GLN  42           HB2      GLN  42  16.417  14.136   2.138
  350    HB3  GLN  42           HB1      GLN  42  15.000  13.114   1.946
  351    HG2  GLN  42           HG2      GLN  42  13.912  14.871   0.640
  352    HG3  GLN  42           HG1      GLN  42  15.340  15.888   0.828
  353   HE21  GLN  42          HE21      GLN  42  15.670  15.995  -1.391
  354   HE22  GLN  42          HE22      GLN  42  16.274  14.655  -2.298
  355    H    GLN  43           HN       GLN  43  13.167  13.032   4.267
  356    HA   GLN  43           HA       GLN  43  10.783  13.822   2.853
  357    HB2  GLN  43           HB2      GLN  43  11.251  11.461   3.280
  358    HB3  GLN  43           HB1      GLN  43  11.254  11.755   5.012
  359    HG2  GLN  43           HG2      GLN  43   8.854  12.497   4.759
  360    HG3  GLN  43           HG1      GLN  43   8.928  11.847   3.121
  361   HE21  GLN  43          HE21      GLN  43   9.067   9.635   2.816
  362   HE22  GLN  43          HE22      GLN  43   8.745   8.502   4.080
  363    H    GLN  44           HN       GLN  44  11.987  13.950   6.169
  364    HA   GLN  44           HA       GLN  44   9.646  14.955   7.372
  365    HB2  GLN  44           HB2      GLN  44  11.626  13.961   8.573
  366    HB3  GLN  44           HB1      GLN  44  12.486  15.460   8.262
  367    HG2  GLN  44           HG2      GLN  44  11.495  15.303  10.530
  368    HG3  GLN  44           HG1      GLN  44  10.981  16.709   9.603
  369   HE21  GLN  44          HE21      GLN  44   9.751  13.454   9.109
  370   HE22  GLN  44          HE22      GLN  44   8.150  13.780   9.661
  371    H    LEU  45           HN       LEU  45  12.064  16.402   5.415
  372    HA   LEU  45           HA       LEU  45  11.991  19.066   6.191
  373    HB2  LEU  45           HB2      LEU  45  13.598  18.423   4.591
  374    HB3  LEU  45           HB1      LEU  45  12.389  17.724   3.533
  375    HG   LEU  45           HG       LEU  45  11.588  20.306   3.515
  376   HD11  LEU  45          HD11      LEU  45  14.589  20.386   3.771
  377   HD12  LEU  45          HD12      LEU  45  13.433  21.037   4.933
  378   HD13  LEU  45          HD13      LEU  45  13.548  21.736   3.318
  379   HD21  LEU  45          HD21      LEU  45  11.926  18.941   1.553
  380   HD22  LEU  45          HD22      LEU  45  13.676  19.016   1.766
  381   HD23  LEU  45          HD23      LEU  45  12.775  20.476   1.358
  382    H    LEU  46           HN       LEU  46   9.909  17.363   3.869
  383    HA   LEU  46           HA       LEU  46   8.082  19.664   3.921
  384    HB2  LEU  46           HB2      LEU  46   8.507  17.517   1.863
  385    HB3  LEU  46           HB1      LEU  46   7.174  18.654   1.800
  386    HG   LEU  46           HG       LEU  46  10.071  19.486   1.800
  387   HD11  LEU  46          HD11      LEU  46   9.662  19.954  -0.632
  388   HD12  LEU  46          HD12      LEU  46   8.199  18.977  -0.498
  389   HD13  LEU  46          HD13      LEU  46   9.779  18.249  -0.200
  390   HD21  LEU  46          HD21      LEU  46   8.447  21.162   2.579
  391   HD22  LEU  46          HD22      LEU  46   7.564  20.983   1.063
  392   HD23  LEU  46          HD23      LEU  46   9.208  21.621   1.057
  393    H    GLN  47           HN       GLN  47   7.726  16.174   3.260
  394    HA   GLN  47           HA       GLN  47   6.159  14.661   3.922
  395    HB2  GLN  47           HB2      GLN  47   7.238  15.632   6.183
  396    HB3  GLN  47           HB1      GLN  47   5.572  16.136   6.433
  397    HG2  GLN  47           HG2      GLN  47   6.376  13.313   5.794
  398    HG3  GLN  47           HG1      GLN  47   6.193  13.932   7.434
  399   HE21  GLN  47          HE21      GLN  47   4.561  13.038   4.502
  400   HE22  GLN  47          HE22      GLN  47   2.963  13.010   5.159
  401    H    ARG  48           HN       ARG  48   5.300  16.914   2.369
  402    HA   ARG  48           HA       ARG  48   2.455  16.789   2.972
  403    HB2  ARG  48           HB2      ARG  48   3.962  19.389   2.661
  404    HB3  ARG  48           HB1      ARG  48   2.210  19.252   2.606
  405    HG2  ARG  48           HG2      ARG  48   2.179  18.442   4.888
  406    HG3  ARG  48           HG1      ARG  48   3.941  18.508   4.950
  407    HD2  ARG  48           HD2      ARG  48   3.834  20.939   4.548
  408    HD3  ARG  48           HD1      ARG  48   2.074  20.846   4.566
  409    HE   ARG  48           HE       ARG  48   3.125  19.748   6.945
  410   HH11  ARG  48          HH11      ARG  48   2.627  22.802   5.342
  411   HH12  ARG  48          HH12      ARG  48   2.526  23.706   6.816
  412   HH21  ARG  48          HH21      ARG  48   2.994  20.932   8.891
  413   HH22  ARG  48          HH22      ARG  48   2.734  22.643   8.832
  414    H    ASP   1           HT1      ASP   1  -8.100 -16.982 -15.269
  415    HA   ASP   1           HA       ASP   1  -6.520 -16.048 -13.713
  416    HB2  ASP   1           HB2      ASP   1  -7.031 -14.270 -16.112
  417    HB3  ASP   1           HB1      ASP   1  -5.509 -14.404 -15.235
  418    H    GLU   2           HN       GLU   2  -5.642 -13.544 -13.496
  419    HA   GLU   2           HA       GLU   2  -5.759 -11.841 -11.973
  420    HB2  GLU   2           HB2      GLU   2  -7.291 -10.091 -12.615
  421    HB3  GLU   2           HB1      GLU   2  -6.658 -10.862 -14.060
  422    HG2  GLU   2           HG2      GLU   2  -8.737 -12.133 -14.286
  423    HG3  GLU   2           HG1      GLU   2  -9.369 -11.343 -12.842
  424    H    ASP   3           HN       ASP   3  -7.005 -14.297 -11.029
  425    HA   ASP   3           HA       ASP   3  -9.262 -13.351  -9.442
  426    HB2  ASP   3           HB2      ASP   3  -7.966 -16.086  -9.549
  427    HB3  ASP   3           HB1      ASP   3  -9.452 -15.685  -8.695
  428    H    THR   4           HN       THR   4  -8.458 -15.304  -7.242
  429    HA   THR   4           HA       THR   4  -7.014 -13.379  -5.701
  430    HB   THR   4           HB       THR   4  -7.171 -16.081  -4.586
  431    HG1  THR   4           HG1      THR   4  -9.604 -15.169  -4.261
  432   HG21  THR   4          HG21      THR   4  -8.024 -13.346  -3.635
  433   HG22  THR   4          HG22      THR   4  -6.534 -14.191  -3.207
  434   HG23  THR   4          HG23      THR   4  -8.090 -14.815  -2.658
  435    H    TYR   5           HN       TYR   5  -5.015 -13.454  -4.914
  436    HA   TYR   5           HA       TYR   5  -3.125 -15.303  -6.207
  437    HB2  TYR   5           HB2      TYR   5  -2.970 -12.340  -5.832
  438    HB3  TYR   5           HB1      TYR   5  -1.562 -13.337  -6.190
  439    HD1  TYR   5           HD1      TYR   5  -1.644 -14.781  -8.304
  440    HD2  TYR   5           HD2      TYR   5  -4.352 -11.587  -7.557
  441    HE1  TYR   5           HE1      TYR   5  -2.169 -14.673 -10.702
  442    HE2  TYR   5           HE2      TYR   5  -4.881 -11.467  -9.953
  443    HH   TYR   5           HH       TYR   5  -4.062 -12.107 -12.061
  444    H    TYR   6           HN       TYR   6  -1.026 -15.470  -4.897
  445    HA   TYR   6           HA       TYR   6  -1.520 -14.775  -2.088
  446    HB2  TYR   6           HB2      TYR   6   0.450 -16.877  -3.009
  447    HB3  TYR   6           HB1      TYR   6  -0.237 -16.665  -1.404
  448    HD1  TYR   6           HD2      TYR   6  -3.112 -16.354  -2.126
  449    HD2  TYR   6           HD1      TYR   6  -0.178 -19.084  -3.539
  450    HE1  TYR   6           HE2      TYR   6  -4.886 -17.966  -2.642
  451    HE2  TYR   6           HE1      TYR   6  -1.942 -20.713  -4.072
  452    HH   TYR   6           HH       TYR   6  -4.247 -21.223  -3.391
  453    H    LEU   7           HN       LEU   7  -0.266 -13.428  -1.092
  454    HA   LEU   7           HA       LEU   7   2.156 -12.428  -2.460
  455    HB2  LEU   7           HB2      LEU   7  -0.169 -11.171  -1.640
  456    HB3  LEU   7           HB1      LEU   7   0.937 -10.843  -0.336
  457    HG   LEU   7           HG       LEU   7   2.099  -9.331  -1.528
  458   HD11  LEU   7          HD11      LEU   7   3.221 -10.155  -3.255
  459   HD12  LEU   7          HD12      LEU   7   1.863  -9.576  -4.221
  460   HD13  LEU   7          HD13      LEU   7   1.921 -11.258  -3.694
  461   HD21  LEU   7          HD21      LEU   7   0.639  -8.024  -2.910
  462   HD22  LEU   7          HD22      LEU   7  -0.275  -8.711  -1.563
  463   HD23  LEU   7          HD23      LEU   7  -0.407  -9.421  -3.172
  464    H    GLN   8           HN       GLN   8   3.888 -13.492  -1.457
  465    HA   GLN   8           HA       GLN   8   3.761 -13.961   1.339
  466    HB2  GLN   8           HB2      GLN   8   5.144 -15.090  -0.717
  467    HB3  GLN   8           HB1      GLN   8   6.399 -14.163   0.093
  468    HG2  GLN   8           HG2      GLN   8   5.447 -15.276   2.236
  469    HG3  GLN   8           HG1      GLN   8   4.788 -16.449   1.099
  470   HE21  GLN   8          HE21      GLN   8   7.174 -15.977  -0.685
  471   HE22  GLN   8          HE22      GLN   8   8.441 -16.892   0.047
  472    H    VAL   9           HN       VAL   9   4.140 -12.558   2.860
  473    HA   VAL   9           HA       VAL   9   5.985 -10.391   2.244
  474    HB   VAL   9           HB       VAL   9   3.388 -10.296   3.763
  475   HG11  VAL   9          HG11      VAL   9   3.935  -7.933   4.312
  476   HG12  VAL   9          HG12      VAL   9   5.596  -8.257   3.812
  477   HG13  VAL   9          HG13      VAL   9   4.898  -9.129   5.178
  478   HG21  VAL   9          HG21      VAL   9   4.414  -8.544   1.546
  479   HG22  VAL   9          HG22      VAL   9   2.776  -8.605   2.197
  480   HG23  VAL   9          HG23      VAL   9   3.419  -9.978   1.297
  481    H    ARG  10           HN       ARG  10   7.661 -10.095   3.622
  482    HA   ARG  10           HA       ARG  10   7.723 -11.866   5.963
  483    HB2  ARG  10           HB2      ARG  10   9.551 -11.900   4.125
  484    HB3  ARG  10           HB1      ARG  10  10.108 -10.398   4.849
  485    HG2  ARG  10           HG2      ARG  10   9.716 -12.831   6.539
  486    HG3  ARG  10           HG1      ARG  10  11.176 -12.638   5.569
  487    HD2  ARG  10           HD2      ARG  10  11.618 -10.495   6.673
  488    HD3  ARG  10           HD1      ARG  10  10.164 -10.699   7.647
  489    HE   ARG  10           HE       ARG  10  11.832 -12.938   7.984
  490   HH11  ARG  10          HH11      ARG  10  11.673  -9.551   8.794
  491   HH12  ARG  10          HH12      ARG  10  12.613  -9.721  10.238
  492   HH21  ARG  10          HH21      ARG  10  13.070 -13.169   9.885
  493   HH22  ARG  10          HH22      ARG  10  13.408 -11.777  10.858
  494    H    GLY  11           HN       GLY  11   7.927 -11.137   7.976
  495    HA2  GLY  11           HA2      GLY  11   8.412  -9.541   9.660
  496    HA3  GLY  11           HA1      GLY  11   8.479  -8.292   8.424
  497    H    ARG  12           HN       ARG  12   6.794  -9.207  11.013
  498    HA   ARG  12           HA       ARG  12   4.116  -9.217  10.337
  499    HB2  ARG  12           HB2      ARG  12   5.270  -9.520  12.638
  500    HB3  ARG  12           HB1      ARG  12   5.076  -7.779  12.789
  501    HG2  ARG  12           HG2      ARG  12   3.229  -8.771  13.875
  502    HG3  ARG  12           HG1      ARG  12   2.628  -8.116  12.350
  503    HD2  ARG  12           HD2      ARG  12   2.828 -10.367  11.349
  504    HD3  ARG  12           HD1      ARG  12   3.324 -10.994  12.920
  505    HE   ARG  12           HE       ARG  12   0.726  -9.656  12.653
  506   HH11  ARG  12          HH11      ARG  12   2.593 -12.532  13.277
  507   HH12  ARG  12          HH12      ARG  12   1.243 -13.433  13.881
  508   HH21  ARG  12          HH21      ARG  12  -1.056 -10.834  13.448
  509   HH22  ARG  12          HH22      ARG  12  -0.831 -12.468  13.978
  510    H    GLU  13           HN       GLU  13   6.069  -6.292  11.048
  511    HA   GLU  13           HA       GLU  13   4.031  -4.456  10.873
  512    HB2  GLU  13           HB2      GLU  13   6.281  -3.862  11.593
  513    HB3  GLU  13           HB1      GLU  13   6.896  -4.128   9.968
  514    HG2  GLU  13           HG2      GLU  13   5.648  -2.260   9.128
  515    HG3  GLU  13           HG1      GLU  13   4.843  -2.048  10.682
  516    H    ASN  14           HN       ASN  14   6.005  -5.722   8.202
  517    HA   ASN  14           HA       ASN  14   4.822  -4.151   6.160
  518    HB2  ASN  14           HB2      ASN  14   6.178  -6.843   5.917
  519    HB3  ASN  14           HB1      ASN  14   5.928  -5.671   4.627
  520   HD21  ASN  14          HD21      ASN  14   8.411  -6.798   5.534
  521   HD22  ASN  14          HD22      ASN  14   9.392  -5.483   6.074
  522    H    PHE  15           HN       PHE  15   4.212  -7.436   7.349
  523    HA   PHE  15           HA       PHE  15   2.263  -8.194   5.516
  524    HB2  PHE  15           HB2      PHE  15   3.376  -9.701   7.146
  525    HB3  PHE  15           HB1      PHE  15   2.421  -8.972   8.433
  526    HD1  PHE  15           HD2      PHE  15   1.358  -9.959   4.995
  527    HD2  PHE  15           HD1      PHE  15   1.069 -10.694   9.187
  528    HE1  PHE  15           HE2      PHE  15  -0.423 -11.578   4.581
  529    HE2  PHE  15           HE1      PHE  15  -0.744 -12.314   8.764
  530    HZ   PHE  15           HZ       PHE  15  -1.487 -12.752   6.452
  531    H    GLU  16           HN       GLU  16   1.890  -6.540   8.638
  532    HA   GLU  16           HA       GLU  16  -0.941  -6.389   8.646
  533    HB2  GLU  16           HB2      GLU  16   1.127  -4.619   9.956
  534    HB3  GLU  16           HB1      GLU  16  -0.597  -4.573  10.300
  535    HG2  GLU  16           HG2      GLU  16  -0.527  -6.839  11.136
  536    HG3  GLU  16           HG1      GLU  16   1.178  -6.968  10.709
  537    H    ILE  17           HN       ILE  17   1.475  -4.020   7.487
  538    HA   ILE  17           HA       ILE  17  -0.441  -2.061   6.819
  539    HB   ILE  17           HB       ILE  17   2.400  -2.507   6.201
  540   HG12  ILE  17          HG12      ILE  17   0.982   0.108   6.595
  541   HG13  ILE  17          HG11      ILE  17   1.252  -0.971   7.956
  542   HG21  ILE  17          HG21      ILE  17   0.713  -0.774   4.399
  543   HG22  ILE  17          HG22      ILE  17   1.553  -2.253   3.926
  544   HG23  ILE  17          HG23      ILE  17   2.477  -0.831   4.415
  545   HD11  ILE  17          HD11      ILE  17   3.624  -0.814   7.673
  546   HD12  ILE  17          HD12      ILE  17   2.947   0.818   7.702
  547   HD13  ILE  17          HD13      ILE  17   3.429   0.088   6.169
  548    H    LEU  18           HN       LEU  18   0.924  -4.766   4.934
  549    HA   LEU  18           HA       LEU  18  -0.434  -4.033   2.519
  550    HB2  LEU  18           HB2      LEU  18   1.146  -6.401   3.457
  551    HB3  LEU  18           HB1      LEU  18   0.257  -6.449   1.947
  552    HG   LEU  18           HG       LEU  18   2.090  -4.150   2.337
  553   HD11  LEU  18          HD11      LEU  18   3.295  -6.214   3.177
  554   HD12  LEU  18          HD12      LEU  18   4.056  -5.350   1.842
  555   HD13  LEU  18          HD13      LEU  18   3.162  -6.836   1.532
  556   HD21  LEU  18          HD21      LEU  18   2.528  -4.682  -0.070
  557   HD22  LEU  18          HD22      LEU  18   0.855  -4.269   0.303
  558   HD23  LEU  18          HD23      LEU  18   1.313  -5.954   0.054
  559    H    MET  19           HN       MET  19  -0.981  -6.293   5.188
  560    HA   MET  19           HA       MET  19  -3.141  -7.667   4.042
  561    HB2  MET  19           HB2      MET  19  -1.761  -8.031   6.323
  562    HB3  MET  19           HB1      MET  19  -3.151  -7.201   6.997
  563    HG2  MET  19           HG2      MET  19  -3.129  -9.796   5.490
  564    HG3  MET  19           HG1      MET  19  -3.466  -9.547   7.197
  565    HE1  MET  19           HE1      MET  19  -6.798 -10.760   5.407
  566    HE2  MET  19           HE2      MET  19  -5.624 -11.158   6.659
  567    HE3  MET  19           HE3      MET  19  -5.137 -11.156   4.963
  568    H    LYS  20           HN       LYS  20  -3.138  -4.883   6.233
  569    HA   LYS  20           HA       LYS  20  -5.890  -4.396   6.307
  570    HB2  LYS  20           HB2      LYS  20  -3.843  -3.269   7.520
  571    HB3  LYS  20           HB1      LYS  20  -3.925  -2.149   6.168
  572    HG2  LYS  20           HG2      LYS  20  -6.345  -2.773   7.818
  573    HG3  LYS  20           HG1      LYS  20  -5.174  -1.552   8.319
  574    HD2  LYS  20           HD2      LYS  20  -5.489  -0.484   6.061
  575    HD3  LYS  20           HD1      LYS  20  -6.835  -1.598   5.807
  576    HE2  LYS  20           HE2      LYS  20  -6.620   0.311   8.129
  577    HE3  LYS  20           HE1      LYS  20  -7.510   0.649   6.645
  578    HZ1  LYS  20           HZ1      LYS  20  -8.055  -1.612   8.494
  579    HZ2  LYS  20           HZ2      LYS  20  -8.929  -1.243   7.094
  580    HZ3  LYS  20           HZ3      LYS  20  -8.953  -0.180   8.409
  581    H    LEU  21           HN       LEU  21  -3.407  -3.600   3.978
  582    HA   LEU  21           HA       LEU  21  -5.059  -1.979   2.338
  583    HB2  LEU  21           HB2      LEU  21  -2.460  -2.164   2.525
  584    HB3  LEU  21           HB1      LEU  21  -2.630  -3.452   1.357
  585    HG   LEU  21           HG       LEU  21  -3.068  -0.520   1.012
  586   HD11  LEU  21          HD11      LEU  21  -0.878  -1.608   0.561
  587   HD12  LEU  21          HD12      LEU  21  -1.583  -0.786  -0.831
  588   HD13  LEU  21          HD13      LEU  21  -1.663  -2.541  -0.713
  589   HD21  LEU  21          HD21      LEU  21  -4.152  -2.660  -0.812
  590   HD22  LEU  21          HD22      LEU  21  -4.067  -0.937  -1.186
  591   HD23  LEU  21          HD23      LEU  21  -5.101  -1.506   0.125
  592    H    LYS  22           HN       LYS  22  -4.161  -5.413   2.161
  593    HA   LYS  22           HA       LYS  22  -5.278  -6.042  -0.293
  594    HB2  LYS  22           HB2      LYS  22  -4.010  -7.708   0.897
  595    HB3  LYS  22           HB1      LYS  22  -5.119  -7.657   2.261
  596    HG2  LYS  22           HG2      LYS  22  -6.606  -8.304  -0.073
  597    HG3  LYS  22           HG1      LYS  22  -5.186  -9.346  -0.005
  598    HD2  LYS  22           HD2      LYS  22  -6.920  -8.924   2.405
  599    HD3  LYS  22           HD1      LYS  22  -7.334 -10.124   1.180
  600    HE2  LYS  22           HE2      LYS  22  -4.908 -10.950   1.502
  601    HE3  LYS  22           HE1      LYS  22  -4.960 -10.027   3.004
  602    HZ1  LYS  22           HZ1      LYS  22  -5.577 -12.299   3.415
  603    HZ2  LYS  22           HZ2      LYS  22  -6.787 -12.238   2.236
  604    HZ3  LYS  22           HZ3      LYS  22  -6.932 -11.312   3.643
  605    H    GLU  23           HN       GLU  23  -6.681  -5.658   2.863
  606    HA   GLU  23           HA       GLU  23  -9.335  -6.422   2.225
  607    HB2  GLU  23           HB2      GLU  23  -8.373  -6.278   4.534
  608    HB3  GLU  23           HB1      GLU  23  -8.344  -4.530   4.374
  609    HG2  GLU  23           HG2      GLU  23 -10.437  -4.383   5.034
  610    HG3  GLU  23           HG1      GLU  23 -10.967  -5.508   3.786
  611    H    SER  24           HN       SER  24  -7.702  -3.245   2.317
  612    HA   SER  24           HA       SER  24  -9.935  -1.760   1.644
  613    HB2  SER  24           HB2      SER  24  -7.218  -0.954   0.635
  614    HB3  SER  24           HB1      SER  24  -8.485   0.058   1.327
  615    HG   SER  24           HG       SER  24  -6.416  -1.006   2.564
  616    H    LEU  25           HN       LEU  25  -7.442  -3.055  -0.543
  617    HA   LEU  25           HA       LEU  25  -8.528  -2.064  -2.959
  618    HB2  LEU  25           HB2      LEU  25  -6.649  -4.285  -2.258
  619    HB3  LEU  25           HB1      LEU  25  -7.208  -4.075  -3.906
  620    HG   LEU  25           HG       LEU  25  -5.850  -1.875  -2.358
  621   HD11  LEU  25          HD11      LEU  25  -4.274  -3.667  -2.477
  622   HD12  LEU  25          HD12      LEU  25  -3.836  -2.464  -3.690
  623   HD13  LEU  25          HD13      LEU  25  -4.649  -3.951  -4.176
  624   HD21  LEU  25          HD21      LEU  25  -6.238  -2.285  -5.320
  625   HD22  LEU  25          HD22      LEU  25  -5.509  -0.884  -4.527
  626   HD23  LEU  25          HD23      LEU  25  -7.226  -1.230  -4.307
  627    H    GLU  26           HN       GLU  26  -9.000  -5.171  -1.315
  628    HA   GLU  26           HA       GLU  26 -10.602  -6.277  -3.378
  629    HB2  GLU  26           HB2      GLU  26 -10.177  -6.995  -0.496
  630    HB3  GLU  26           HB1      GLU  26 -11.338  -7.860  -1.494
  631    HG2  GLU  26           HG2      GLU  26  -9.388  -8.194  -3.124
  632    HG3  GLU  26           HG1      GLU  26  -8.361  -7.719  -1.773
  633    H    LEU  27           HN       LEU  27 -11.395  -4.595  -0.360
  634    HA   LEU  27           HA       LEU  27 -14.204  -4.888  -0.438
  635    HB2  LEU  27           HB2      LEU  27 -12.348  -2.937   0.865
  636    HB3  LEU  27           HB1      LEU  27 -14.083  -2.706   0.933
  637    HG   LEU  27           HG       LEU  27 -12.638  -5.155   1.954
  638   HD11  LEU  27          HD11      LEU  27 -13.853  -2.881   3.508
  639   HD12  LEU  27          HD12      LEU  27 -12.129  -3.095   3.218
  640   HD13  LEU  27          HD13      LEU  27 -13.016  -4.290   4.162
  641   HD21  LEU  27          HD21      LEU  27 -14.771  -5.714   3.003
  642   HD22  LEU  27          HD22      LEU  27 -14.960  -5.586   1.254
  643   HD23  LEU  27          HD23      LEU  27 -15.508  -4.273   2.298
  644    H    MET  28           HN       MET  28 -12.120  -2.449  -2.022
  645    HA   MET  28           HA       MET  28 -14.148  -0.681  -2.554
  646    HB2  MET  28           HB2      MET  28 -11.963  -1.332  -4.547
  647    HB3  MET  28           HB1      MET  28 -12.878   0.164  -4.464
  648    HG2  MET  28           HG2      MET  28 -11.779   0.871  -2.550
  649    HG3  MET  28           HG1      MET  28 -11.194  -0.747  -2.177
  650    HE1  MET  28           HE1      MET  28 -10.936   2.095  -4.994
  651    HE2  MET  28           HE2      MET  28  -9.230   2.425  -4.693
  652    HE3  MET  28           HE3      MET  28 -10.401   2.562  -3.378
  653    H    GLU  29           HN       GLU  29 -14.010  -3.878  -3.764
  654    HA   GLU  29           HA       GLU  29 -15.577  -3.262  -6.130
  655    HB2  GLU  29           HB2      GLU  29 -15.215  -5.451  -6.790
  656    HB3  GLU  29           HB1      GLU  29 -13.740  -5.071  -5.914
  657    HG2  GLU  29           HG2      GLU  29 -14.696  -6.188  -3.920
  658    HG3  GLU  29           HG1      GLU  29 -16.085  -6.656  -4.897
  659    H    LEU  30           HN       LEU  30 -16.094  -4.076  -2.840
  660    HA   LEU  30           HA       LEU  30 -18.747  -5.141  -3.395
  661    HB2  LEU  30           HB2      LEU  30 -18.572  -6.291  -1.494
  662    HB3  LEU  30           HB1      LEU  30 -16.874  -5.883  -1.571
  663    HG   LEU  30           HG       LEU  30 -18.931  -4.343  -0.001
  664   HD11  LEU  30          HD11      LEU  30 -18.605  -6.612   0.871
  665   HD12  LEU  30          HD12      LEU  30 -17.943  -5.395   1.964
  666   HD13  LEU  30          HD13      LEU  30 -16.864  -6.333   0.929
  667   HD21  LEU  30          HD21      LEU  30 -17.059  -2.958  -0.632
  668   HD22  LEU  30          HD22      LEU  30 -15.930  -4.187  -0.062
  669   HD23  LEU  30          HD23      LEU  30 -16.968  -3.342   1.087
  670    H    VAL  31           HN       VAL  31 -17.427  -2.222  -3.206
  671    HA   VAL  31           HA       VAL  31 -19.652  -0.981  -1.764
  672    HB   VAL  31           HB       VAL  31 -17.645   0.765  -3.027
  673   HG11  VAL  31          HG11      VAL  31 -19.281   0.645  -0.586
  674   HG12  VAL  31          HG12      VAL  31 -18.945   1.994  -1.671
  675   HG13  VAL  31          HG13      VAL  31 -17.750   1.505  -0.473
  676   HG21  VAL  31          HG21      VAL  31 -16.083  -0.903  -2.411
  677   HG22  VAL  31          HG22      VAL  31 -16.860  -1.151  -0.851
  678   HG23  VAL  31          HG23      VAL  31 -15.996   0.351  -1.174
  679    HA   PRO  32           HA       PRO  32 -21.902  -0.586  -5.598
  680    HB2  PRO  32           HB2      PRO  32 -22.690   1.975  -4.241
  681    HB3  PRO  32           HB1      PRO  32 -23.703   0.814  -5.108
  682    HG2  PRO  32           HG2      PRO  32 -23.611   0.843  -2.434
  683    HG3  PRO  32           HG1      PRO  32 -23.747  -0.675  -3.339
  684    HD2  PRO  32           HD2      PRO  32 -21.442   0.427  -1.849
  685    HD3  PRO  32           HD1      PRO  32 -21.821  -1.259  -2.258
  686    H    GLN  33           HN       GLN  33 -21.060   0.138  -7.466
  687    HA   GLN  33           HA       GLN  33 -18.838   1.732  -7.719
  688    HB2  GLN  33           HB2      GLN  33 -19.695   0.255  -9.490
  689    HB3  GLN  33           HB1      GLN  33 -21.017   1.376  -9.780
  690    HG2  GLN  33           HG2      GLN  33 -19.416   3.099 -10.434
  691    HG3  GLN  33           HG1      GLN  33 -18.090   1.976 -10.141
  692   HE21  GLN  33          HE21      GLN  33 -17.758   0.262 -11.560
  693   HE22  GLN  33          HE22      GLN  33 -18.466   0.225 -13.135
  694    HA   PRO  34           HA       PRO  34 -21.796   5.516  -8.773
  695    HB2  PRO  34           HB2      PRO  34 -23.970   4.892  -6.850
  696    HB3  PRO  34           HB1      PRO  34 -24.063   5.603  -8.465
  697    HG2  PRO  34           HG2      PRO  34 -24.809   3.082  -8.044
  698    HG3  PRO  34           HG1      PRO  34 -23.946   3.543  -9.523
  699    HD2  PRO  34           HD2      PRO  34 -22.918   2.158  -7.079
  700    HD3  PRO  34           HD1      PRO  34 -22.537   1.862  -8.787
  701    H    LEU  35           HN       LEU  35 -21.503   3.990  -5.614
  702    HA   LEU  35           HA       LEU  35 -21.480   6.470  -4.162
  703    HB2  LEU  35           HB2      LEU  35 -22.349   4.331  -3.237
  704    HB3  LEU  35           HB1      LEU  35 -20.725   3.679  -3.286
  705    HG   LEU  35           HG       LEU  35 -19.995   5.255  -1.609
  706   HD11  LEU  35          HD11      LEU  35 -22.809   6.317  -1.639
  707   HD12  LEU  35          HD12      LEU  35 -21.376   7.163  -2.224
  708   HD13  LEU  35          HD13      LEU  35 -21.536   6.782  -0.509
  709   HD21  LEU  35          HD21      LEU  35 -21.380   4.490   0.280
  710   HD22  LEU  35          HD22      LEU  35 -20.924   3.183  -0.813
  711   HD23  LEU  35          HD23      LEU  35 -22.553   3.856  -0.874
  712    H    VAL  36           HN       VAL  36 -19.137   4.265  -5.531
  713    HA   VAL  36           HA       VAL  36 -16.837   5.439  -4.229
  714    HB   VAL  36           HB       VAL  36 -17.044   3.673  -6.687
  715   HG11  VAL  36          HG11      VAL  36 -14.597   3.375  -6.439
  716   HG12  VAL  36          HG12      VAL  36 -14.598   4.643  -5.213
  717   HG13  VAL  36          HG13      VAL  36 -15.053   5.022  -6.874
  718   HG21  VAL  36          HG21      VAL  36 -17.673   2.547  -4.622
  719   HG22  VAL  36          HG22      VAL  36 -16.168   3.068  -3.862
  720   HG23  VAL  36          HG23      VAL  36 -16.128   1.935  -5.213
  721    H    ASP  37           HN       ASP  37 -18.532   5.867  -7.291
  722    HA   ASP  37           HA       ASP  37 -16.704   7.625  -8.485
  723    HB2  ASP  37           HB2      ASP  37 -18.593   6.649  -9.720
  724    HB3  ASP  37           HB1      ASP  37 -19.726   7.562  -8.728
  725    H    SER  38           HN       SER  38 -19.466   8.215  -6.293
  726    HA   SER  38           HA       SER  38 -19.309  10.998  -6.249
  727    HB2  SER  38           HB2      SER  38 -21.183   9.716  -5.285
  728    HB3  SER  38           HB1      SER  38 -20.124   9.148  -3.994
  729    HG   SER  38           HG       SER  38 -21.173  10.897  -3.180
  730    H    TYR  39           HN       TYR  39 -17.655   8.608  -4.189
  731    HA   TYR  39           HA       TYR  39 -16.351  10.439  -2.525
  732    HB2  TYR  39           HB2      TYR  39 -16.240   8.250  -1.755
  733    HB3  TYR  39           HB1      TYR  39 -15.804   7.610  -3.338
  734    HD1  TYR  39           HD2      TYR  39 -14.495   9.595  -0.481
  735    HD2  TYR  39           HD1      TYR  39 -13.569   7.270  -3.917
  736    HE1  TYR  39           HE2      TYR  39 -12.122   9.626   0.147
  737    HE2  TYR  39           HE1      TYR  39 -11.198   7.300  -3.303
  738    HH   TYR  39           HH       TYR  39  -9.647   8.604  -1.983
  739    H    ARG  40           HN       ARG  40 -15.384   8.984  -5.590
  740    HA   ARG  40           HA       ARG  40 -12.806   9.996  -5.802
  741    HB2  ARG  40           HB2      ARG  40 -14.367   8.427  -7.353
  742    HB3  ARG  40           HB1      ARG  40 -14.416   9.915  -8.288
  743    HG2  ARG  40           HG2      ARG  40 -12.022   9.931  -8.484
  744    HG3  ARG  40           HG1      ARG  40 -11.890   8.538  -7.409
  745    HD2  ARG  40           HD2      ARG  40 -13.216   7.224  -9.053
  746    HD3  ARG  40           HD1      ARG  40 -13.155   8.608 -10.144
  747    HE   ARG  40           HE       ARG  40 -10.566   7.749  -9.261
  748   HH11  ARG  40          HH11      ARG  40 -13.102   7.210 -11.589
  749   HH12  ARG  40          HH12      ARG  40 -12.047   6.501 -12.766
  750   HH21  ARG  40          HH21      ARG  40  -9.170   6.817 -10.804
  751   HH22  ARG  40          HH22      ARG  40  -9.813   6.276 -12.319
  752    H    GLN  41           HN       GLN  41 -15.892  11.522  -6.470
  753    HA   GLN  41           HA       GLN  41 -14.887  13.856  -7.748
  754    HB2  GLN  41           HB2      GLN  41 -17.420  13.476  -6.138
  755    HB3  GLN  41           HB1      GLN  41 -17.071  14.852  -7.174
  756    HG2  GLN  41           HG2      GLN  41 -16.954  13.323  -9.106
  757    HG3  GLN  41           HG1      GLN  41 -17.406  11.992  -8.043
  758   HE21  GLN  41          HE21      GLN  41 -18.482  14.881  -9.643
  759   HE22  GLN  41          HE22      GLN  41 -20.174  14.633  -9.394
  760    H    GLN  42           HN       GLN  42 -15.790  13.208  -4.366
  761    HA   GLN  42           HA       GLN  42 -15.094  15.739  -3.365
  762    HB2  GLN  42           HB2      GLN  42 -16.457  14.091  -2.126
  763    HB3  GLN  42           HB1      GLN  42 -15.037  13.072  -1.935
  764    HG2  GLN  42           HG2      GLN  42 -13.954  14.831  -0.628
  765    HG3  GLN  42           HG1      GLN  42 -15.384  15.844  -0.814
  766   HE21  GLN  42          HE21      GLN  42 -15.715  15.948   1.404
  767   HE22  GLN  42          HE22      GLN  42 -16.317  14.606   2.310
  768    H    GLN  43           HN       GLN  43 -13.203  12.998  -4.256
  769    HA   GLN  43           HA       GLN  43 -10.821  13.794  -2.842
  770    HB2  GLN  43           HB2      GLN  43 -11.282  11.432  -3.269
  771    HB3  GLN  43           HB1      GLN  43 -11.286  11.727  -5.001
  772    HG2  GLN  43           HG2      GLN  43  -8.888  12.475  -4.748
  773    HG3  GLN  43           HG1      GLN  43  -8.960  11.823  -3.110
  774   HE21  GLN  43          HE21      GLN  43  -9.094   9.612  -2.807
  775   HE22  GLN  43          HE22      GLN  43  -8.768   8.481  -4.072
  776    H    GLN  44           HN       GLN  44 -12.027  13.923  -6.157
  777    HA   GLN  44           HA       GLN  44  -9.686  14.933  -7.358
  778    HB2  GLN  44           HB2      GLN  44 -11.662  13.934  -8.563
  779    HB3  GLN  44           HB1      GLN  44 -12.528  15.430  -8.250
  780    HG2  GLN  44           HG2      GLN  44 -11.534  15.280 -10.517
  781    HG3  GLN  44           HG1      GLN  44 -11.026  16.686  -9.588
  782   HE21  GLN  44          HE21      GLN  44  -9.786  13.434  -9.097
  783   HE22  GLN  44          HE22      GLN  44  -8.186  13.764  -9.648
  784    H    LEU  45           HN       LEU  45 -12.110  16.372  -5.402
  785    HA   LEU  45           HA       LEU  45 -12.044  19.037  -6.175
  786    HB2  LEU  45           HB2      LEU  45 -13.649  18.388  -4.575
  787    HB3  LEU  45           HB1      LEU  45 -12.438  17.692  -3.517
  788    HG   LEU  45           HG       LEU  45 -11.645  20.277  -3.497
  789   HD11  LEU  45          HD11      LEU  45 -14.646  20.347  -3.754
  790   HD12  LEU  45          HD12      LEU  45 -13.491  21.002  -4.916
  791   HD13  LEU  45          HD13      LEU  45 -13.609  21.700  -3.300
  792   HD21  LEU  45          HD21      LEU  45 -11.979  18.909  -1.537
  793   HD22  LEU  45          HD22      LEU  45 -13.730  18.978  -1.750
  794   HD23  LEU  45          HD23      LEU  45 -12.833  20.441  -1.341
  795    H    LEU  46           HN       LEU  46  -9.958  17.338  -3.853
  796    HA   LEU  46           HA       LEU  46  -8.136  19.645  -3.904
  797    HB2  LEU  46           HB2      LEU  46  -8.556  17.494  -1.849
  798    HB3  LEU  46           HB1      LEU  46  -7.226  18.635  -1.784
  799    HG   LEU  46           HG       LEU  46 -10.126  19.459  -1.784
  800   HD11  LEU  46          HD11      LEU  46  -9.719  19.925   0.649
  801   HD12  LEU  46          HD12      LEU  46  -8.254  18.952   0.515
  802   HD13  LEU  46          HD13      LEU  46  -9.832  18.220   0.215
  803   HD21  LEU  46          HD21      LEU  46  -8.506  21.139  -2.561
  804   HD22  LEU  46          HD22      LEU  46  -7.623  20.961  -1.045
  805   HD23  LEU  46          HD23      LEU  46  -9.268  21.595  -1.038
  806    H    GLN  47           HN       GLN  47  -7.770  16.155  -3.244
  807    HA   GLN  47           HA       GLN  47  -6.200  14.646  -3.909
  808    HB2  GLN  47           HB2      GLN  47  -7.281  15.616  -6.169
  809    HB3  GLN  47           HB1      GLN  47  -5.617  16.124  -6.418
  810    HG2  GLN  47           HG2      GLN  47  -6.413  13.299  -5.781
  811    HG3  GLN  47           HG1      GLN  47  -6.232  13.920  -7.420
  812   HE21  GLN  47          HE21      GLN  47  -4.596  13.028  -4.489
  813   HE22  GLN  47          HE22      GLN  47  -2.998  13.005  -5.147
  814    H    ARG  48           HN       ARG  48  -5.347  16.898  -2.353
  815    HA   ARG  48           HA       ARG  48  -2.501  16.784  -2.955
  816    HB2  ARG  48           HB2      ARG  48  -4.015  19.379  -2.642
  817    HB3  ARG  48           HB1      ARG  48  -2.264  19.247  -2.588
  818    HG2  ARG  48           HG2      ARG  48  -2.234  18.438  -4.871
  819    HG3  ARG  48           HG1      ARG  48  -3.996  18.502  -4.930
  820    HD2  ARG  48           HD2      ARG  48  -3.892  20.932  -4.528
  821    HD3  ARG  48           HD1      ARG  48  -2.132  20.842  -4.545
  822    HE   ARG  48           HE       ARG  48  -3.180  19.744  -6.926
  823   HH11  ARG  48          HH11      ARG  48  -2.690  22.798  -5.319
  824   HH12  ARG  48          HH12      ARG  48  -2.590  23.703  -6.792
  825   HH21  ARG  48          HH21      ARG  48  -3.052  20.930  -8.869
  826   HH22  ARG  48          HH22      ARG  48  -2.798  22.642  -8.810
  827    H    ASP   1           HT1      ASP   1   8.105  16.991 -15.259
  828    HA   ASP   1           HA       ASP   1   6.524  16.054 -13.705
  829    HB2  ASP   1           HB2      ASP   1   7.038  14.279 -16.105
  830    HB3  ASP   1           HB1      ASP   1   5.515  14.412 -15.229
  831    H    GLU   2           HN       GLU   2   5.646  13.551 -13.489
  832    HA   GLU   2           HA       GLU   2   5.762  11.847 -11.968
  833    HB2  GLU   2           HB2      GLU   2   7.296  10.097 -12.609
  834    HB3  GLU   2           HB1      GLU   2   6.665  10.869 -14.055
  835    HG2  GLU   2           HG2      GLU   2   8.741  12.141 -14.278
  836    HG3  GLU   2           HG1      GLU   2   9.373  11.351 -12.833
  837    H    ASP   3           HN       ASP   3   7.008  14.301 -11.021
  838    HA   ASP   3           HA       ASP   3   9.265  13.356  -9.435
  839    HB2  ASP   3           HB2      ASP   3   7.968  16.090  -9.540
  840    HB3  ASP   3           HB1      ASP   3   9.454  15.690  -8.686
  841    H    THR   4           HN       THR   4   8.458  15.308  -7.234
  842    HA   THR   4           HA       THR   4   7.015  13.380  -5.694
  843    HB   THR   4           HB       THR   4   7.171  16.082  -4.578
  844    HG1  THR   4           HG1      THR   4   9.604  15.172  -4.252
  845   HG21  THR   4          HG21      THR   4   8.024  13.347  -3.629
  846   HG22  THR   4          HG22      THR   4   6.534  14.192  -3.200
  847   HG23  THR   4          HG23      THR   4   8.091  14.815  -2.651
  848    H    TYR   5           HN       TYR   5   5.016  13.456  -4.908
  849    HA   TYR   5           HA       TYR   5   3.126  15.306  -6.202
  850    HB2  TYR   5           HB2      TYR   5   2.971  12.343  -5.827
  851    HB3  TYR   5           HB1      TYR   5   1.564  13.339  -6.186
  852    HD1  TYR   5           HD1      TYR   5   1.647  14.783  -8.299
  853    HD2  TYR   5           HD2      TYR   5   4.355  11.590  -7.553
  854    HE1  TYR   5           HE1      TYR   5   2.172  14.677 -10.697
  855    HE2  TYR   5           HE2      TYR   5   4.883  11.471  -9.950
  856    HH   TYR   5           HH       TYR   5   4.067  12.112 -12.056
  857    H    TYR   6           HN       TYR   6   1.027  15.471  -4.892
  858    HA   TYR   6           HA       TYR   6   1.519  14.776  -2.084
  859    HB2  TYR   6           HB2      TYR   6  -0.452  16.877  -3.004
  860    HB3  TYR   6           HB1      TYR   6   0.234  16.664  -1.399
  861    HD1  TYR   6           HD2      TYR   6   3.109  16.354  -2.120
  862    HD2  TYR   6           HD1      TYR   6   0.176  19.085  -3.533
  863    HE1  TYR   6           HE2      TYR   6   4.884  17.966  -2.634
  864    HE2  TYR   6           HE1      TYR   6   1.942  20.714  -4.064
  865    HH   TYR   6           HH       TYR   6   4.245  21.224  -3.382
  866    H    LEU   7           HN       LEU   7   0.264  13.426  -1.089
  867    HA   LEU   7           HA       LEU   7  -2.156  12.427  -2.459
  868    HB2  LEU   7           HB2      LEU   7   0.168  11.170  -1.639
  869    HB3  LEU   7           HB1      LEU   7  -0.938  10.841  -0.335
  870    HG   LEU   7           HG       LEU   7  -2.100   9.329  -1.527
  871   HD11  LEU   7          HD11      LEU   7  -3.222  10.154  -3.255
  872   HD12  LEU   7          HD12      LEU   7  -1.864   9.576  -4.221
  873   HD13  LEU   7          HD13      LEU   7  -1.922  11.257  -3.693
  874   HD21  LEU   7          HD21      LEU   7  -0.639   8.024  -2.910
  875   HD22  LEU   7          HD22      LEU   7   0.274   8.710  -1.562
  876   HD23  LEU   7          HD23      LEU   7   0.407   9.421  -3.170
  877    H    GLN   8           HN       GLN   8  -3.890  13.490  -1.456
  878    HA   GLN   8           HA       GLN   8  -3.763  13.957   1.340
  879    HB2  GLN   8           HB2      GLN   8  -5.147  15.087  -0.716
  880    HB3  GLN   8           HB1      GLN   8  -6.402  14.159   0.095
  881    HG2  GLN   8           HG2      GLN   8  -5.450  15.272   2.238
  882    HG3  GLN   8           HG1      GLN   8  -4.790  16.445   1.102
  883   HE21  GLN   8          HE21      GLN   8  -7.176  15.976  -0.683
  884   HE22  GLN   8          HE22      GLN   8  -8.444  16.889   0.050
  885    H    VAL   9           HN       VAL   9  -4.140  12.554   2.861
  886    HA   VAL   9           HA       VAL   9  -5.986  10.386   2.243
  887    HB   VAL   9           HB       VAL   9  -3.390  10.292   3.764
  888   HG11  VAL   9          HG11      VAL   9  -3.936   7.929   4.311
  889   HG12  VAL   9          HG12      VAL   9  -5.597   8.252   3.811
  890   HG13  VAL   9          HG13      VAL   9  -4.899   9.123   5.178
  891   HG21  VAL   9          HG21      VAL   9  -4.415   8.540   1.546
  892   HG22  VAL   9          HG22      VAL   9  -2.776   8.601   2.197
  893   HG23  VAL   9          HG23      VAL   9  -3.420   9.975   1.298
  894    H    ARG  10           HN       ARG  10  -7.664  10.090   3.620
  895    HA   ARG  10           HA       ARG  10  -7.728  11.861   5.961
  896    HB2  ARG  10           HB2      ARG  10  -9.556  11.893   4.123
  897    HB3  ARG  10           HB1      ARG  10 -10.111  10.391   4.847
  898    HG2  ARG  10           HG2      ARG  10  -9.721  12.822   6.538
  899    HG3  ARG  10           HG1      ARG  10 -11.181  12.631   5.567
  900    HD2  ARG  10           HD2      ARG  10 -11.623  10.486   6.669
  901    HD3  ARG  10           HD1      ARG  10 -10.169  10.689   7.644
  902    HE   ARG  10           HE       ARG  10 -11.837  12.928   7.982
  903   HH11  ARG  10          HH11      ARG  10 -11.679   9.541   8.791
  904   HH12  ARG  10          HH12      ARG  10 -12.619   9.711  10.235
  905   HH21  ARG  10          HH21      ARG  10 -13.075  13.159   9.882
  906   HH22  ARG  10          HH22      ARG  10 -13.413  11.767  10.855
  907    H    GLY  11           HN       GLY  11  -7.934  11.130   7.975
  908    HA2  GLY  11           HA2      GLY  11  -8.417   9.534   9.659
  909    HA3  GLY  11           HA1      GLY  11  -8.485   8.286   8.422
  910    H    ARG  12           HN       ARG  12  -6.800   9.198  11.011
  911    HA   ARG  12           HA       ARG  12  -4.122   9.209  10.336
  912    HB2  ARG  12           HB2      ARG  12  -5.277   9.510  12.636
  913    HB3  ARG  12           HB1      ARG  12  -5.084   7.769  12.786
  914    HG2  ARG  12           HG2      ARG  12  -3.238   8.761  13.874
  915    HG3  ARG  12           HG1      ARG  12  -2.636   8.107  12.350
  916    HD2  ARG  12           HD2      ARG  12  -2.835  10.359  11.350
  917    HD3  ARG  12           HD1      ARG  12  -3.330  10.984  12.922
  918    HE   ARG  12           HE       ARG  12  -0.733   9.646  12.654
  919   HH11  ARG  12          HH11      ARG  12  -2.601  12.522  13.280
  920   HH12  ARG  12          HH12      ARG  12  -1.252  13.422  13.885
  921   HH21  ARG  12          HH21      ARG  12   1.048  10.826  13.450
  922   HH22  ARG  12          HH22      ARG  12   0.822  12.459  13.981
  923    H    GLU  13           HN       GLU  13  -6.075   6.283  11.044
  924    HA   GLU  13           HA       GLU  13  -4.035   4.448  10.870
  925    HB2  GLU  13           HB2      GLU  13  -6.285   3.852  11.589
  926    HB3  GLU  13           HB1      GLU  13  -6.900   4.119   9.964
  927    HG2  GLU  13           HG2      GLU  13  -5.651   2.252   9.124
  928    HG3  GLU  13           HG1      GLU  13  -4.846   2.039  10.678
  929    H    ASN  14           HN       ASN  14  -6.008   5.715   8.199
  930    HA   ASN  14           HA       ASN  14  -4.825   4.145   6.157
  931    HB2  ASN  14           HB2      ASN  14  -6.180   6.836   5.915
  932    HB3  ASN  14           HB1      ASN  14  -5.930   5.664   4.624
  933   HD21  ASN  14          HD21      ASN  14  -8.413   6.790   5.531
  934   HD22  ASN  14          HD22      ASN  14  -9.395   5.475   6.068
  935    H    PHE  15           HN       PHE  15  -4.217   7.429   7.348
  936    HA   PHE  15           HA       PHE  15  -2.266   8.188   5.516
  937    HB2  PHE  15           HB2      PHE  15  -3.381   9.693   7.146
  938    HB3  PHE  15           HB1      PHE  15  -2.425   8.965   8.433
  939    HD1  PHE  15           HD2      PHE  15  -1.361   9.955   4.996
  940    HD2  PHE  15           HD1      PHE  15  -1.075  10.688   9.188
  941    HE1  PHE  15           HE2      PHE  15   0.420  11.574   4.584
  942    HE2  PHE  15           HE1      PHE  15   0.737  12.309   8.767
  943    HZ   PHE  15           HZ       PHE  15   1.482  12.748   6.456
  944    H    GLU  16           HN       GLU  16  -1.894   6.534   8.639
  945    HA   GLU  16           HA       GLU  16   0.936   6.383   8.646
  946    HB2  GLU  16           HB2      GLU  16  -1.131   4.611   9.955
  947    HB3  GLU  16           HB1      GLU  16   0.593   4.565  10.299
  948    HG2  GLU  16           HG2      GLU  16   0.522   6.831  11.137
  949    HG3  GLU  16           HG1      GLU  16  -1.183   6.960  10.710
  950    H    ILE  17           HN       ILE  17  -1.478   4.013   7.485
  951    HA   ILE  17           HA       ILE  17   0.439   2.056   6.818
  952    HB   ILE  17           HB       ILE  17  -2.401   2.501   6.198
  953   HG12  ILE  17          HG12      ILE  17  -0.982  -0.113   6.593
  954   HG13  ILE  17          HG11      ILE  17  -1.254   0.966   7.953
  955   HG21  ILE  17          HG21      ILE  17  -0.713   0.769   4.396
  956   HG22  ILE  17          HG22      ILE  17  -1.553   2.248   3.922
  957   HG23  ILE  17          HG23      ILE  17  -2.477   0.826   4.411
  958   HD11  ILE  17          HD11      ILE  17  -3.626   0.807   7.669
  959   HD12  ILE  17          HD12      ILE  17  -2.948  -0.825   7.697
  960   HD13  ILE  17          HD13      ILE  17  -3.429  -0.093   6.164
  961    H    LEU  18           HN       LEU  18  -0.924   4.761   4.934
  962    HA   LEU  18           HA       LEU  18   0.434   4.028   2.518
  963    HB2  LEU  18           HB2      LEU  18  -1.147   6.396   3.457
  964    HB3  LEU  18           HB1      LEU  18  -0.256   6.445   1.948
  965    HG   LEU  18           HG       LEU  18  -2.091   4.146   2.334
  966   HD11  LEU  18          HD11      LEU  18  -3.296   6.210   3.175
  967   HD12  LEU  18          HD12      LEU  18  -4.056   5.346   1.839
  968   HD13  LEU  18          HD13      LEU  18  -3.162   6.832   1.531
  969   HD21  LEU  18          HD21      LEU  18  -2.527   4.680  -0.073
  970   HD22  LEU  18          HD22      LEU  18  -0.854   4.267   0.301
  971   HD23  LEU  18          HD23      LEU  18  -1.312   5.952   0.054
  972    H    MET  19           HN       MET  19   0.978   6.290   5.185
  973    HA   MET  19           HA       MET  19   3.140   7.663   4.043
  974    HB2  MET  19           HB2      MET  19   1.758   8.027   6.322
  975    HB3  MET  19           HB1      MET  19   3.146   7.197   6.998
  976    HG2  MET  19           HG2      MET  19   3.126   9.793   5.491
  977    HG3  MET  19           HG1      MET  19   3.461   9.543   7.198
  978    HE1  MET  19           HE1      MET  19   6.794  10.756   5.412
  979    HE2  MET  19           HE2      MET  19   5.620  11.154   6.664
  980    HE3  MET  19           HE3      MET  19   5.134  11.153   4.966
  981    H    LYS  20           HN       LYS  20   3.135   4.879   6.234
  982    HA   LYS  20           HA       LYS  20   5.887   4.392   6.309
  983    HB2  LYS  20           HB2      LYS  20   3.841   3.263   7.521
  984    HB3  LYS  20           HB1      LYS  20   3.922   2.144   6.168
  985    HG2  LYS  20           HG2      LYS  20   6.343   2.768   7.819
  986    HG3  LYS  20           HG1      LYS  20   5.172   1.546   8.318
  987    HD2  LYS  20           HD2      LYS  20   5.489   0.479   6.060
  988    HD3  LYS  20           HD1      LYS  20   6.834   1.593   5.807
  989    HE2  LYS  20           HE2      LYS  20   6.618  -0.315   8.129
  990    HE3  LYS  20           HE1      LYS  20   7.509  -0.654   6.646
  991    HZ1  LYS  20           HZ1      LYS  20   8.054   1.607   8.495
  992    HZ2  LYS  20           HZ2      LYS  20   8.928   1.238   7.095
  993    HZ3  LYS  20           HZ3      LYS  20   8.952   0.175   8.410
  994    H    LEU  21           HN       LEU  21   3.406   3.596   3.979
  995    HA   LEU  21           HA       LEU  21   5.058   1.976   2.338
  996    HB2  LEU  21           HB2      LEU  21   2.459   2.161   2.524
  997    HB3  LEU  21           HB1      LEU  21   2.630   3.450   1.357
  998    HG   LEU  21           HG       LEU  21   3.067   0.519   1.010
  999   HD11  LEU  21          HD11      LEU  21   0.878   1.606   0.557
 1000   HD12  LEU  21          HD12      LEU  21   1.584   0.786  -0.834
 1001   HD13  LEU  21          HD13      LEU  21   1.664   2.541  -0.714
 1002   HD21  LEU  21          HD21      LEU  21   4.153   2.659  -0.812
 1003   HD22  LEU  21          HD22      LEU  21   4.069   0.937  -1.187
 1004   HD23  LEU  21          HD23      LEU  21   5.102   1.505   0.126
 1005    H    LYS  22           HN       LYS  22   4.160   5.410   2.162
 1006    HA   LYS  22           HA       LYS  22   5.279   6.040  -0.291
 1007    HB2  LYS  22           HB2      LYS  22   4.010   7.706   0.899
 1008    HB3  LYS  22           HB1      LYS  22   5.117   7.654   2.264
 1009    HG2  LYS  22           HG2      LYS  22   6.606   8.303  -0.069
 1010    HG3  LYS  22           HG1      LYS  22   5.186   9.345  -0.001
 1011    HD2  LYS  22           HD2      LYS  22   6.919   8.924   2.410
 1012    HD3  LYS  22           HD1      LYS  22   7.332  10.124   1.186
 1013    HE2  LYS  22           HE2      LYS  22   4.906  10.949   1.507
 1014    HE3  LYS  22           HE1      LYS  22   4.957  10.025   3.008
 1015    HZ1  LYS  22           HZ1      LYS  22   5.573  12.297   3.421
 1016    HZ2  LYS  22           HZ2      LYS  22   6.784  12.236   2.242
 1017    HZ3  LYS  22           HZ3      LYS  22   6.929  11.310   3.649
 1018    H    GLU  23           HN       GLU  23   6.680   5.656   2.867
 1019    HA   GLU  23           HA       GLU  23   9.334   6.420   2.230
 1020    HB2  GLU  23           HB2      GLU  23   8.372   6.277   4.539
 1021    HB3  GLU  23           HB1      GLU  23   8.343   4.528   4.379
 1022    HG2  GLU  23           HG2      GLU  23  10.437   4.381   5.039
 1023    HG3  GLU  23           HG1      GLU  23  10.966   5.508   3.791
 1024    H    SER  24           HN       SER  24   7.702   3.243   2.319
 1025    HA   SER  24           HA       SER  24   9.935   1.759   1.646
 1026    HB2  SER  24           HB2      SER  24   7.219   0.953   0.635
 1027    HB3  SER  24           HB1      SER  24   8.486  -0.059   1.327
 1028    HG   SER  24           HG       SER  24   6.416   1.005   2.564
 1029    H    LEU  25           HN       LEU  25   7.444   3.055  -0.541
 1030    HA   LEU  25           HA       LEU  25   8.530   2.065  -2.957
 1031    HB2  LEU  25           HB2      LEU  25   6.650   4.286  -2.256
 1032    HB3  LEU  25           HB1      LEU  25   7.210   4.077  -3.904
 1033    HG   LEU  25           HG       LEU  25   5.854   1.875  -2.358
 1034   HD11  LEU  25          HD11      LEU  25   4.275   3.665  -2.477
 1035   HD12  LEU  25          HD12      LEU  25   3.839   2.463  -3.690
 1036   HD13  LEU  25          HD13      LEU  25   4.650   3.952  -4.175
 1037   HD21  LEU  25          HD21      LEU  25   6.241   2.287  -5.319
 1038   HD22  LEU  25          HD22      LEU  25   5.513   0.885  -4.527
 1039   HD23  LEU  25          HD23      LEU  25   7.229   1.231  -4.307
 1040    H    GLU  26           HN       GLU  26   9.000   5.172  -1.313
 1041    HA   GLU  26           HA       GLU  26  10.604   6.280  -3.373
 1042    HB2  GLU  26           HB2      GLU  26  10.177   6.996  -0.491
 1043    HB3  GLU  26           HB1      GLU  26  11.338   7.862  -1.489
 1044    HG2  GLU  26           HG2      GLU  26   9.388   8.196  -3.119
 1045    HG3  GLU  26           HG1      GLU  26   8.361   7.719  -1.767
 1046    H    LEU  27           HN       LEU  27  11.396   4.596  -0.355
 1047    HA   LEU  27           HA       LEU  27  14.204   4.889  -0.431
 1048    HB2  LEU  27           HB2      LEU  27  12.348   2.938   0.869
 1049    HB3  LEU  27           HB1      LEU  27  14.083   2.707   0.938
 1050    HG   LEU  27           HG       LEU  27  12.637   5.154   1.960
 1051   HD11  LEU  27          HD11      LEU  27  13.854   2.882   3.514
 1052   HD12  LEU  27          HD12      LEU  27  12.129   3.093   3.222
 1053   HD13  LEU  27          HD13      LEU  27  13.014   4.289   4.167
 1054   HD21  LEU  27          HD21      LEU  27  14.768   5.714   3.009
 1055   HD22  LEU  27          HD22      LEU  27  14.958   5.587   1.261
 1056   HD23  LEU  27          HD23      LEU  27  15.507   4.274   2.305
 1057    H    MET  28           HN       MET  28  12.122   2.451  -2.019
 1058    HA   MET  28           HA       MET  28  14.151   0.683  -2.549
 1059    HB2  MET  28           HB2      MET  28  11.967   1.336  -4.544
 1060    HB3  MET  28           HB1      MET  28  12.883  -0.161  -4.461
 1061    HG2  MET  28           HG2      MET  28  11.782  -0.868  -2.548
 1062    HG3  MET  28           HG1      MET  28  11.196   0.749  -2.176
 1063    HE1  MET  28           HE1      MET  28  10.941  -2.092  -4.993
 1064    HE2  MET  28           HE2      MET  28   9.234  -2.423  -4.694
 1065    HE3  MET  28           HE3      MET  28  10.405  -2.561  -3.378
 1066    H    GLU  29           HN       GLU  29  14.012   3.881  -3.759
 1067    HA   GLU  29           HA       GLU  29  15.581   3.266  -6.124
 1068    HB2  GLU  29           HB2      GLU  29  15.220   5.456  -6.783
 1069    HB3  GLU  29           HB1      GLU  29  13.744   5.076  -5.909
 1070    HG2  GLU  29           HG2      GLU  29  14.698   6.192  -3.914
 1071    HG3  GLU  29           HG1      GLU  29  16.088   6.661  -4.889
 1072    H    LEU  30           HN       LEU  30  16.096   4.077  -2.834
 1073    HA   LEU  30           HA       LEU  30  18.748   5.144  -3.386
 1074    HB2  LEU  30           HB2      LEU  30  18.574   6.293  -1.485
 1075    HB3  LEU  30           HB1      LEU  30  16.876   5.886  -1.563
 1076    HG   LEU  30           HG       LEU  30  18.932   4.343   0.007
 1077   HD11  LEU  30          HD11      LEU  30  18.605   6.613   0.880
 1078   HD12  LEU  30          HD12      LEU  30  17.944   5.396   1.972
 1079   HD13  LEU  30          HD13      LEU  30  16.865   6.333   0.938
 1080   HD21  LEU  30          HD21      LEU  30  17.059   2.959  -0.624
 1081   HD22  LEU  30          HD22      LEU  30  15.931   4.188  -0.055
 1082   HD23  LEU  30          HD23      LEU  30  16.967   3.344   1.094
 1083    H    VAL  31           HN       VAL  31  17.430   2.226  -3.201
 1084    HA   VAL  31           HA       VAL  31  19.654   0.985  -1.757
 1085    HB   VAL  31           HB       VAL  31  17.648  -0.760  -3.022
 1086   HG11  VAL  31          HG11      VAL  31  19.281  -0.643  -0.580
 1087   HG12  VAL  31          HG12      VAL  31  18.946  -1.991  -1.667
 1088   HG13  VAL  31          HG13      VAL  31  17.749  -1.503  -0.470
 1089   HG21  VAL  31          HG21      VAL  31  16.085   0.907  -2.407
 1090   HG22  VAL  31          HG22      VAL  31  16.861   1.154  -0.846
 1091   HG23  VAL  31          HG23      VAL  31  15.998  -0.348  -1.170
 1092    HA   PRO  32           HA       PRO  32  21.906   0.591  -5.591
 1093    HB2  PRO  32           HB2      PRO  32  22.697  -1.970  -4.235
 1094    HB3  PRO  32           HB1      PRO  32  23.709  -0.806  -5.101
 1095    HG2  PRO  32           HG2      PRO  32  23.614  -0.838  -2.427
 1096    HG3  PRO  32           HG1      PRO  32  23.751   0.681  -3.330
 1097    HD2  PRO  32           HD2      PRO  32  21.445  -0.422  -1.842
 1098    HD3  PRO  32           HD1      PRO  32  21.824   1.264  -2.251
 1099    H    GLN  33           HN       GLN  33  21.067  -0.133  -7.459
 1100    HA   GLN  33           HA       GLN  33  18.846  -1.726  -7.713
 1101    HB2  GLN  33           HB2      GLN  33  19.702  -0.247  -9.482
 1102    HB3  GLN  33           HB1      GLN  33  21.024  -1.367  -9.774
 1103    HG2  GLN  33           HG2      GLN  33  19.424  -3.091 -10.430
 1104    HG3  GLN  33           HG1      GLN  33  18.097  -1.967 -10.136
 1105   HE21  GLN  33          HE21      GLN  33  17.765  -0.255 -11.554
 1106   HE22  GLN  33          HE22      GLN  33  18.474  -0.215 -13.129
 1107    HA   PRO  34           HA       PRO  34  21.804  -5.509  -8.769
 1108    HB2  PRO  34           HB2      PRO  34  23.976  -4.884  -6.844
 1109    HB3  PRO  34           HB1      PRO  34  24.070  -5.595  -8.459
 1110    HG2  PRO  34           HG2      PRO  34  24.816  -3.073  -8.036
 1111    HG3  PRO  34           HG1      PRO  34  23.953  -3.534  -9.516
 1112    HD2  PRO  34           HD2      PRO  34  22.923  -2.150  -7.073
 1113    HD3  PRO  34           HD1      PRO  34  22.543  -1.855  -8.781
 1114    H    LEU  35           HN       LEU  35  21.507  -3.984  -5.609
 1115    HA   LEU  35           HA       LEU  35  21.485  -6.465  -4.157
 1116    HB2  LEU  35           HB2      LEU  35  22.354  -4.327  -3.231
 1117    HB3  LEU  35           HB1      LEU  35  20.730  -3.674  -3.280
 1118    HG   LEU  35           HG       LEU  35  19.999  -5.251  -1.604
 1119   HD11  LEU  35          HD11      LEU  35  22.813  -6.313  -1.633
 1120   HD12  LEU  35          HD12      LEU  35  21.380  -7.159  -2.219
 1121   HD13  LEU  35          HD13      LEU  35  21.540  -6.778  -0.503
 1122   HD21  LEU  35          HD21      LEU  35  21.383  -4.486   0.285
 1123   HD22  LEU  35          HD22      LEU  35  20.927  -3.179  -0.808
 1124   HD23  LEU  35          HD23      LEU  35  22.557  -3.851  -0.869
 1125    H    VAL  36           HN       VAL  36  19.142  -4.259  -5.527
 1126    HA   VAL  36           HA       VAL  36  16.842  -5.434  -4.227
 1127    HB   VAL  36           HB       VAL  36  17.050  -3.668  -6.684
 1128   HG11  VAL  36          HG11      VAL  36  14.603  -3.371  -6.436
 1129   HG12  VAL  36          HG12      VAL  36  14.604  -4.640  -5.212
 1130   HG13  VAL  36          HG13      VAL  36  15.060  -5.017  -6.873
 1131   HG21  VAL  36          HG21      VAL  36  17.678  -2.543  -4.618
 1132   HG22  VAL  36          HG22      VAL  36  16.173  -3.064  -3.859
 1133   HG23  VAL  36          HG23      VAL  36  16.134  -1.930  -5.210
 1134    H    ASP  37           HN       ASP  37  18.539  -5.860  -7.288
 1135    HA   ASP  37           HA       ASP  37  16.712  -7.618  -8.484
 1136    HB2  ASP  37           HB2      ASP  37  18.601  -6.641  -9.718
 1137    HB3  ASP  37           HB1      ASP  37  19.734  -7.554  -8.725
 1138    H    SER  38           HN       SER  38  19.474  -8.209  -6.291
 1139    HA   SER  38           HA       SER  38  19.318 -10.991  -6.248
 1140    HB2  SER  38           HB2      SER  38  21.191  -9.710  -5.283
 1141    HB3  SER  38           HB1      SER  38  20.132  -9.143  -3.992
 1142    HG   SER  38           HG       SER  38  21.183 -10.893  -3.181
 1143    H    TYR  39           HN       TYR  39  17.662  -8.604  -4.188
 1144    HA   TYR  39           HA       TYR  39  16.358 -10.436  -2.525
 1145    HB2  TYR  39           HB2      TYR  39  16.245  -8.248  -1.754
 1146    HB3  TYR  39           HB1      TYR  39  15.810  -7.606  -3.336
 1147    HD1  TYR  39           HD2      TYR  39  14.499  -9.593  -0.481
 1148    HD2  TYR  39           HD1      TYR  39  13.575  -7.267  -3.917
 1149    HE1  TYR  39           HE2      TYR  39  12.125  -9.625   0.145
 1150    HE2  TYR  39           HE1      TYR  39  11.203  -7.298  -3.304
 1151    HH   TYR  39           HH       TYR  39   9.652  -8.603  -1.986
 1152    H    ARG  40           HN       ARG  40  15.392  -8.979  -5.590
 1153    HA   ARG  40           HA       ARG  40  12.815  -9.991  -5.803
 1154    HB2  ARG  40           HB2      ARG  40  14.375  -8.421  -7.353
 1155    HB3  ARG  40           HB1      ARG  40  14.425  -9.908  -8.289
 1156    HG2  ARG  40           HG2      ARG  40  12.032  -9.926  -8.487
 1157    HG3  ARG  40           HG1      ARG  40  11.897  -8.533  -7.411
 1158    HD2  ARG  40           HD2      ARG  40  13.224  -7.217  -9.054
 1159    HD3  ARG  40           HD1      ARG  40  13.165  -8.601 -10.145
 1160    HE   ARG  40           HE       ARG  40  10.574  -7.744  -9.263
 1161   HH11  ARG  40          HH11      ARG  40  13.112  -7.203 -11.590
 1162   HH12  ARG  40          HH12      ARG  40  12.057  -6.493 -12.766
 1163   HH21  ARG  40          HH21      ARG  40   9.180  -6.810 -10.805
 1164   HH22  ARG  40          HH22      ARG  40   9.822  -6.271 -12.321
 1165    H    GLN  41           HN       GLN  41  15.900 -11.517  -6.473
 1166    HA   GLN  41           HA       GLN  41  14.896 -13.851  -7.751
 1167    HB2  GLN  41           HB2      GLN  41  17.428 -13.472  -6.139
 1168    HB3  GLN  41           HB1      GLN  41  17.081 -14.847  -7.178
 1169    HG2  GLN  41           HG2      GLN  41  16.965 -13.316  -9.108
 1170    HG3  GLN  41           HG1      GLN  41  17.415 -11.986  -8.044
 1171   HE21  GLN  41          HE21      GLN  41  18.492 -14.873  -9.644
 1172   HE22  GLN  41          HE22      GLN  41  20.184 -14.626  -9.395
 1173    H    GLN  42           HN       GLN  42  15.798 -13.203  -4.368
 1174    HA   GLN  42           HA       GLN  42  15.101 -15.735  -3.369
 1175    HB2  GLN  42           HB2      GLN  42  16.464 -14.088  -2.129
 1176    HB3  GLN  42           HB1      GLN  42  15.044 -13.070  -1.937
 1177    HG2  GLN  42           HG2      GLN  42  13.960 -14.830  -0.632
 1178    HG3  GLN  42           HG1      GLN  42  15.391 -15.843  -0.818
 1179   HE21  GLN  42          HE21      GLN  42  15.721 -15.948   1.399
 1180   HE22  GLN  42          HE22      GLN  42  16.322 -14.606   2.307
 1181    H    GLN  43           HN       GLN  43  13.210 -12.995  -4.260
 1182    HA   GLN  43           HA       GLN  43  10.827 -13.792  -2.847
 1183    HB2  GLN  43           HB2      GLN  43  11.288 -11.430  -3.273
 1184    HB3  GLN  43           HB1      GLN  43  11.293 -11.724  -5.005
 1185    HG2  GLN  43           HG2      GLN  43   8.895 -12.473  -4.753
 1186    HG3  GLN  43           HG1      GLN  43   8.966 -11.822  -3.116
 1187   HE21  GLN  43          HE21      GLN  43   9.100  -9.609  -2.811
 1188   HE22  GLN  43          HE22      GLN  43   8.775  -8.478  -4.075
 1189    H    GLN  44           HN       GLN  44  12.034 -13.917  -6.162
 1190    HA   GLN  44           HA       GLN  44   9.695 -14.929  -7.365
 1191    HB2  GLN  44           HB2      GLN  44  11.671 -13.929  -8.566
 1192    HB3  GLN  44           HB1      GLN  44  12.538 -15.424  -8.255
 1193    HG2  GLN  44           HG2      GLN  44  11.547 -15.272 -10.522
 1194    HG3  GLN  44           HG1      GLN  44  11.038 -16.680  -9.595
 1195   HE21  GLN  44          HE21      GLN  44   9.796 -13.429  -9.103
 1196   HE22  GLN  44          HE22      GLN  44   8.195 -13.760  -9.654
 1197    H    LEU  45           HN       LEU  45  12.120 -16.368  -5.408
 1198    HA   LEU  45           HA       LEU  45  12.054 -19.032  -6.183
 1199    HB2  LEU  45           HB2      LEU  45  13.658 -18.384  -4.582
 1200    HB3  LEU  45           HB1      LEU  45  12.447 -17.689  -3.524
 1201    HG   LEU  45           HG       LEU  45  11.653 -20.274  -3.506
 1202   HD11  LEU  45          HD11      LEU  45  14.655 -20.343  -3.761
 1203   HD12  LEU  45          HD12      LEU  45  13.502 -20.998  -4.924
 1204   HD13  LEU  45          HD13      LEU  45  13.619 -21.697  -3.308
 1205   HD21  LEU  45          HD21      LEU  45  11.985 -18.908  -1.544
 1206   HD22  LEU  45          HD22      LEU  45  13.736 -18.976  -1.756
 1207   HD23  LEU  45          HD23      LEU  45  12.841 -20.439  -1.348
 1208    H    LEU  46           HN       LEU  46   9.966 -17.334  -3.861
 1209    HA   LEU  46           HA       LEU  46   8.146 -19.642  -3.914
 1210    HB2  LEU  46           HB2      LEU  46   8.565 -17.493  -1.857
 1211    HB3  LEU  46           HB1      LEU  46   7.234 -18.633  -1.793
 1212    HG   LEU  46           HG       LEU  46  10.134 -19.457  -1.791
 1213   HD11  LEU  46          HD11      LEU  46   9.725 -19.926   0.640
 1214   HD12  LEU  46          HD12      LEU  46   8.260 -18.953   0.505
 1215   HD13  LEU  46          HD13      LEU  46   9.838 -18.221   0.208
 1216   HD21  LEU  46          HD21      LEU  46   8.515 -21.138  -2.572
 1217   HD22  LEU  46          HD22      LEU  46   7.631 -20.961  -1.057
 1218   HD23  LEU  46          HD23      LEU  46   9.277 -21.594  -1.048
 1219    H    GLN  47           HN       GLN  47   7.777 -16.153  -3.252
 1220    HA   GLN  47           HA       GLN  47   6.206 -14.644  -3.916
 1221    HB2  GLN  47           HB2      GLN  47   7.289 -15.613  -6.176
 1222    HB3  GLN  47           HB1      GLN  47   5.626 -16.122  -6.427
 1223    HG2  GLN  47           HG2      GLN  47   6.421 -13.297  -5.789
 1224    HG3  GLN  47           HG1      GLN  47   6.241 -13.917  -7.429
 1225   HE21  GLN  47          HE21      GLN  47   4.604 -13.028  -4.497
 1226   HE22  GLN  47          HE22      GLN  47   3.007 -13.004  -5.155
 1227    H    ARG  48           HN       ARG  48   5.354 -16.898  -2.363
 1228    HA   ARG  48           HA       ARG  48   2.508 -16.784  -2.965
 1229    HB2  ARG  48           HB2      ARG  48   4.025 -19.379  -2.654
 1230    HB3  ARG  48           HB1      ARG  48   2.273 -19.248  -2.600
 1231    HG2  ARG  48           HG2      ARG  48   2.240 -18.438  -4.882
 1232    HG3  ARG  48           HG1      ARG  48   4.003 -18.500  -4.943
 1233    HD2  ARG  48           HD2      ARG  48   3.903 -20.929  -4.541
 1234    HD3  ARG  48           HD1      ARG  48   2.142 -20.842  -4.558
 1235    HE   ARG  48           HE       ARG  48   3.189 -19.742  -6.938
 1236   HH11  ARG  48          HH11      ARG  48   2.701 -22.797  -5.333
 1237   HH12  ARG  48          HH12      ARG  48   2.603 -23.702  -6.807
 1238   HH21  ARG  48          HH21      ARG  48   3.063 -20.927  -8.883
 1239   HH22  ARG  48          HH22      ARG  48   2.811 -22.639  -8.824
 1240    H    ASP   1           HT1      ASP   1  -8.161  16.971  15.254
 1241    HA   ASP   1           HA       ASP   1  -6.578  16.041  13.699
 1242    HB2  ASP   1           HB2      ASP   1  -7.084  14.265  16.100
 1243    HB3  ASP   1           HB1      ASP   1  -5.563  14.402  15.224
 1244    H    GLU   2           HN       GLU   2  -5.691  13.539  13.485
 1245    HA   GLU   2           HA       GLU   2  -5.802  11.835  11.963
 1246    HB2  GLU   2           HB2      GLU   2  -7.329  10.079  12.604
 1247    HB3  GLU   2           HB1      GLU   2  -6.700  10.853  14.050
 1248    HG2  GLU   2           HG2      GLU   2  -8.782  12.119  14.273
 1249    HG3  GLU   2           HG1      GLU   2  -9.411  11.326  12.829
 1250    H    ASP   3           HN       ASP   3  -7.056  14.285  11.017
 1251    HA   ASP   3           HA       ASP   3  -9.308  13.330   9.431
 1252    HB2  ASP   3           HB2      ASP   3  -8.021  16.070   9.534
 1253    HB3  ASP   3           HB1      ASP   3  -9.506  15.662   8.680
 1254    H    THR   4           HN       THR   4  -8.510  15.284   7.229
 1255    HA   THR   4           HA       THR   4  -7.059  13.362   5.691
 1256    HB   THR   4           HB       THR   4  -7.225  16.062   4.572
 1257    HG1  THR   4           HG1      THR   4  -9.655  15.142   4.246
 1258   HG21  THR   4          HG21      THR   4  -8.067  13.322   3.626
 1259   HG22  THR   4          HG22      THR   4  -6.581  14.173   3.197
 1260   HG23  THR   4          HG23      THR   4  -8.140  14.788   2.647
 1261    H    TYR   5           HN       TYR   5  -5.062  13.444   4.903
 1262    HA   TYR   5           HA       TYR   5  -3.177  15.300   6.196
 1263    HB2  TYR   5           HB2      TYR   5  -3.013  12.337   5.822
 1264    HB3  TYR   5           HB1      TYR   5  -1.608  13.338   6.180
 1265    HD1  TYR   5           HD1      TYR   5  -1.696  14.783   8.292
 1266    HD2  TYR   5           HD2      TYR   5  -4.393  11.580   7.548
 1267    HE1  TYR   5           HE1      TYR   5  -2.221  14.676  10.690
 1268    HE2  TYR   5           HE2      TYR   5  -4.921  11.461   9.946
 1269    HH   TYR   5           HH       TYR   5  -4.104  12.104  12.051
 1270    H    TYR   6           HN       TYR   6  -1.079  15.470   4.886
 1271    HA   TYR   6           HA       TYR   6  -1.568  14.773   2.077
 1272    HB2  TYR   6           HB2      TYR   6   0.394  16.881   2.998
 1273    HB3  TYR   6           HB1      TYR   6  -0.291  16.666   1.393
 1274    HD1  TYR   6           HD2      TYR   6  -3.165  16.346   2.114
 1275    HD2  TYR   6           HD1      TYR   6  -0.241  19.088   3.525
 1276    HE1  TYR   6           HE2      TYR   6  -4.945  17.953   2.628
 1277    HE2  TYR   6           HE1      TYR   6  -2.011  20.710   4.056
 1278    HH   TYR   6           HH       TYR   6  -4.316  21.213   3.374
 1279    H    LEU   7           HN       LEU   7  -0.310  13.427   1.083
 1280    HA   LEU   7           HA       LEU   7   2.114  12.437   2.454
 1281    HB2  LEU   7           HB2      LEU   7  -0.206  11.172   1.633
 1282    HB3  LEU   7           HB1      LEU   7   0.902  10.846   0.330
 1283    HG   LEU   7           HG       LEU   7   2.069   9.339   1.523
 1284   HD11  LEU   7          HD11      LEU   7   3.187  10.170   3.250
 1285   HD12  LEU   7          HD12      LEU   7   1.830   9.585   4.216
 1286   HD13  LEU   7          HD13      LEU   7   1.882  11.267   3.688
 1287   HD21  LEU   7          HD21      LEU   7   0.612   8.029   2.907
 1288   HD22  LEU   7          HD22      LEU   7  -0.304   8.711   1.559
 1289   HD23  LEU   7          HD23      LEU   7  -0.439   9.423   3.167
 1290    H    GLN   8           HN       GLN   8   3.844  13.505   1.451
 1291    HA   GLN   8           HA       GLN   8   3.716  13.971  -1.345
 1292    HB2  GLN   8           HB2      GLN   8   5.096  15.107   0.709
 1293    HB3  GLN   8           HB1      GLN   8   6.354  14.182  -0.100
 1294    HG2  GLN   8           HG2      GLN   8   5.399  15.290  -2.244
 1295    HG3  GLN   8           HG1      GLN   8   4.734  16.461  -1.108
 1296   HE21  GLN   8          HE21      GLN   8   7.120  16.002   0.678
 1297   HE22  GLN   8          HE22      GLN   8   8.385  16.920  -0.054
 1298    H    VAL   9           HN       VAL   9   4.099  12.569  -2.867
 1299    HA   VAL   9           HA       VAL   9   5.950  10.406  -2.249
 1300    HB   VAL   9           HB       VAL   9   3.354  10.305  -3.769
 1301   HG11  VAL   9          HG11      VAL   9   3.908   7.942  -4.315
 1302   HG12  VAL   9          HG12      VAL   9   5.568   8.272  -3.816
 1303   HG13  VAL   9          HG13      VAL   9   4.867   9.139  -5.183
 1304   HG21  VAL   9          HG21      VAL   9   4.386   8.558  -1.551
 1305   HG22  VAL   9          HG22      VAL   9   2.747   8.612  -2.201
 1306   HG23  VAL   9          HG23      VAL   9   3.386   9.989  -1.302
 1307    H    ARG  10           HN       ARG  10   7.629  10.115  -3.625
 1308    HA   ARG  10           HA       ARG  10   7.687  11.886  -5.967
 1309    HB2  ARG  10           HB2      ARG  10   9.516  11.924  -4.129
 1310    HB3  ARG  10           HB1      ARG  10  10.076  10.425  -4.854
 1311    HG2  ARG  10           HG2      ARG  10   9.675  12.855  -6.544
 1312    HG3  ARG  10           HG1      ARG  10  11.136  12.670  -5.574
 1313    HD2  ARG  10           HD2      ARG  10  11.586  10.526  -6.676
 1314    HD3  ARG  10           HD1      ARG  10  10.131  10.724  -7.650
 1315    HE   ARG  10           HE       ARG  10  11.791  12.968  -7.991
 1316   HH11  ARG  10          HH11      ARG  10  11.645   9.580  -8.796
 1317   HH12  ARG  10          HH12      ARG  10  12.585   9.751 -10.240
 1318   HH21  ARG  10          HH21      ARG  10  13.029  13.201  -9.890
 1319   HH22  ARG  10          HH22      ARG  10  13.372  11.809 -10.862
 1320    H    GLY  11           HN       GLY  11   7.893  11.156  -7.980
 1321    HA2  GLY  11           HA2      GLY  11   8.383   9.561  -9.664
 1322    HA3  GLY  11           HA1      GLY  11   8.455   8.313  -8.427
 1323    H    ARG  12           HN       ARG  12   6.767   9.220 -11.016
 1324    HA   ARG  12           HA       ARG  12   4.088   9.221 -10.341
 1325    HB2  ARG  12           HB2      ARG  12   5.243   9.525 -12.642
 1326    HB3  ARG  12           HB1      ARG  12   5.054   7.784 -12.791
 1327    HG2  ARG  12           HG2      ARG  12   3.205   8.770 -13.879
 1328    HG3  ARG  12           HG1      ARG  12   2.606   8.114 -12.354
 1329    HD2  ARG  12           HD2      ARG  12   2.797  10.367 -11.354
 1330    HD3  ARG  12           HD1      ARG  12   3.291  10.994 -12.926
 1331    HE   ARG  12           HE       ARG  12   0.698   9.647 -12.660
 1332   HH11  ARG  12          HH11      ARG  12   2.556  12.529 -13.285
 1333   HH12  ARG  12          HH12      ARG  12   1.203  13.425 -13.890
 1334   HH21  ARG  12          HH21      ARG  12  -1.088  10.820 -13.456
 1335   HH22  ARG  12          HH22      ARG  12  -0.867  12.454 -13.987
 1336    H    GLU  13           HN       GLU  13   6.053   6.302 -11.046
 1337    HA   GLU  13           HA       GLU  13   4.017   4.460 -10.873
 1338    HB2  GLU  13           HB2      GLU  13   6.269   3.872 -11.592
 1339    HB3  GLU  13           HB1      GLU  13   6.883   4.142  -9.966
 1340    HG2  GLU  13           HG2      GLU  13   5.641   2.271  -9.125
 1341    HG3  GLU  13           HG1      GLU  13   4.837   2.054 -10.679
 1342    H    ASN  14           HN       ASN  14   5.987   5.734  -8.203
 1343    HA   ASN  14           HA       ASN  14   4.809   4.160  -6.160
 1344    HB2  ASN  14           HB2      ASN  14   6.156   6.857  -5.920
 1345    HB3  ASN  14           HB1      ASN  14   5.910   5.686  -4.628
 1346   HD21  ASN  14          HD21      ASN  14   8.388   6.819  -5.535
 1347   HD22  ASN  14          HD22      ASN  14   9.375   5.507  -6.072
 1348    H    PHE  15           HN       PHE  15   4.190   7.443  -7.352
 1349    HA   PHE  15           HA       PHE  15   2.238   8.196  -5.520
 1350    HB2  PHE  15           HB2      PHE  15   3.347   9.704  -7.150
 1351    HB3  PHE  15           HB1      PHE  15   2.395   8.974  -8.437
 1352    HD1  PHE  15           HD2      PHE  15   1.327   9.960  -5.001
 1353    HD2  PHE  15           HD1      PHE  15   1.037  10.691  -9.193
 1354    HE1  PHE  15           HE2      PHE  15  -0.459  11.573  -4.589
 1355    HE2  PHE  15           HE1      PHE  15  -0.780  12.305  -8.772
 1356    HZ   PHE  15           HZ       PHE  15  -1.526  12.742  -6.461
 1357    H    GLU  16           HN       GLU  16   1.871   6.539  -8.641
 1358    HA   GLU  16           HA       GLU  16  -0.959   6.380  -8.649
 1359    HB2  GLU  16           HB2      GLU  16   1.112   4.613  -9.957
 1360    HB3  GLU  16           HB1      GLU  16  -0.611   4.562 -10.301
 1361    HG2  GLU  16           HG2      GLU  16  -0.547   6.827 -11.140
 1362    HG3  GLU  16           HG1      GLU  16   1.158   6.963 -10.713
 1363    H    ILE  17           HN       ILE  17   1.463   4.018  -7.488
 1364    HA   ILE  17           HA       ILE  17  -0.447   2.055  -6.819
 1365    HB   ILE  17           HB       ILE  17   2.393   2.511  -6.200
 1366   HG12  ILE  17          HG12      ILE  17   0.982  -0.109  -6.593
 1367   HG13  ILE  17          HG11      ILE  17   1.251   0.970  -7.955
 1368   HG21  ILE  17          HG21      ILE  17   0.709   0.774  -4.397
 1369   HG22  ILE  17          HG22      ILE  17   1.546   2.256  -3.924
 1370   HG23  ILE  17          HG23      ILE  17   2.474   0.836  -4.413
 1371   HD11  ILE  17          HD11      ILE  17   3.624   0.820  -7.670
 1372   HD12  ILE  17          HD12      ILE  17   2.951  -0.814  -7.697
 1373   HD13  ILE  17          HD13      ILE  17   3.429  -0.081  -6.165
 1374    H    LEU  18           HN       LEU  18   0.908   4.765  -4.936
 1375    HA   LEU  18           HA       LEU  18  -0.448   4.029  -2.520
 1376    HB2  LEU  18           HB2      LEU  18   1.124   6.401  -3.460
 1377    HB3  LEU  18           HB1      LEU  18   0.234   6.448  -1.950
 1378    HG   LEU  18           HG       LEU  18   2.076   4.155  -2.336
 1379   HD11  LEU  18          HD11      LEU  18   3.272   6.224  -3.179
 1380   HD12  LEU  18          HD12      LEU  18   4.037   5.363  -1.843
 1381   HD13  LEU  18          HD13      LEU  18   3.137   6.846  -1.535
 1382   HD21  LEU  18          HD21      LEU  18   2.511   4.691   0.070
 1383   HD22  LEU  18          HD22      LEU  18   0.840   4.272  -0.303
 1384   HD23  LEU  18          HD23      LEU  18   1.292   5.959  -0.057
 1385    H    MET  19           HN       MET  19  -1.001   6.287  -5.189
 1386    HA   MET  19           HA       MET  19  -3.165   7.653  -4.046
 1387    HB2  MET  19           HB2      MET  19  -1.786   8.021  -6.327
 1388    HB3  MET  19           HB1      MET  19  -3.172   7.186  -7.001
 1389    HG2  MET  19           HG2      MET  19  -3.160   9.783  -5.497
 1390    HG3  MET  19           HG1      MET  19  -3.495   9.530  -7.204
 1391    HE1  MET  19           HE1      MET  19  -6.831  10.735  -5.417
 1392    HE2  MET  19           HE2      MET  19  -5.658  11.136  -6.669
 1393    HE3  MET  19           HE3      MET  19  -5.171  11.137  -4.973
 1394    H    LYS  20           HN       LYS  20  -3.152   4.869  -6.235
 1395    HA   LYS  20           HA       LYS  20  -5.903   4.374  -6.311
 1396    HB2  LYS  20           HB2      LYS  20  -3.854   3.250  -7.522
 1397    HB3  LYS  20           HB1      LYS  20  -3.932   2.132  -6.168
 1398    HG2  LYS  20           HG2      LYS  20  -6.355   2.747  -7.818
 1399    HG3  LYS  20           HG1      LYS  20  -5.180   1.529  -8.319
 1400    HD2  LYS  20           HD2      LYS  20  -5.492   0.462  -6.060
 1401    HD3  LYS  20           HD1      LYS  20  -6.841   1.571  -5.807
 1402    HE2  LYS  20           HE2      LYS  20  -6.620  -0.338  -8.128
 1403    HE3  LYS  20           HE1      LYS  20  -7.509  -0.678  -6.645
 1404    HZ1  LYS  20           HZ1      LYS  20  -8.061   1.580  -8.495
 1405    HZ2  LYS  20           HZ2      LYS  20  -8.934   1.209  -7.094
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.955   0.145  -8.409
 1407    H    LEU  21           HN       LEU  21  -3.419   3.586  -3.980
 1408    HA   LEU  21           HA       LEU  21  -5.066   1.962  -2.339
 1409    HB2  LEU  21           HB2      LEU  21  -2.468   2.156  -2.525
 1410    HB3  LEU  21           HB1      LEU  21  -2.644   3.444  -1.358
 1411    HG   LEU  21           HG       LEU  21  -3.070   0.511  -1.011
 1412   HD11  LEU  21          HD11      LEU  21  -0.884   1.606  -0.559
 1413   HD12  LEU  21          HD12      LEU  21  -1.588   0.783   0.832
 1414   HD13  LEU  21          HD13      LEU  21  -1.673   2.538   0.712
 1415   HD21  LEU  21          HD21      LEU  21  -4.164   2.647   0.812
 1416   HD22  LEU  21          HD22      LEU  21  -4.073   0.925   1.185
 1417   HD23  LEU  21          HD23      LEU  21  -5.108   1.489  -0.127
 1418    H    LYS  22           HN       LYS  22  -4.179   5.398  -2.163
 1419    HA   LYS  22           HA       LYS  22  -5.301   6.026   0.289
 1420    HB2  LYS  22           HB2      LYS  22  -4.037   7.694  -0.903
 1421    HB3  LYS  22           HB1      LYS  22  -5.146   7.638  -2.267
 1422    HG2  LYS  22           HG2      LYS  22  -6.634   8.284   0.067
 1423    HG3  LYS  22           HG1      LYS  22  -5.217   9.330  -0.004
 1424    HD2  LYS  22           HD2      LYS  22  -6.949   8.901  -2.413
 1425    HD3  LYS  22           HD1      LYS  22  -7.368  10.100  -1.189
 1426    HE2  LYS  22           HE2      LYS  22  -4.944  10.934  -1.511
 1427    HE3  LYS  22           HE1      LYS  22  -4.992  10.010  -3.012
 1428    HZ1  LYS  22           HZ1      LYS  22  -5.616  12.280  -3.426
 1429    HZ2  LYS  22           HZ2      LYS  22  -6.826  12.216  -2.246
 1430    HZ3  LYS  22           HZ3      LYS  22  -6.969  11.289  -3.653
 1431    H    GLU  23           HN       GLU  23  -6.701   5.635  -2.868
 1432    HA   GLU  23           HA       GLU  23  -9.357   6.391  -2.231
 1433    HB2  GLU  23           HB2      GLU  23  -8.395   6.251  -4.539
 1434    HB3  GLU  23           HB1      GLU  23  -8.359   4.502  -4.380
 1435    HG2  GLU  23           HG2      GLU  23 -10.452   4.348  -5.039
 1436    HG3  GLU  23           HG1      GLU  23 -10.986   5.473  -3.791
 1437    H    SER  24           HN       SER  24  -7.714   3.221  -2.318
 1438    HA   SER  24           HA       SER  24  -9.942   1.728  -1.647
 1439    HB2  SER  24           HB2      SER  24  -7.223   0.932  -0.635
 1440    HB3  SER  24           HB1      SER  24  -8.485  -0.085  -1.328
 1441    HG   SER  24           HG       SER  24  -6.420   0.983  -2.564
 1442    H    LEU  25           HN       LEU  25  -7.455   3.033   0.539
 1443    HA   LEU  25           HA       LEU  25  -8.538   2.040   2.956
 1444    HB2  LEU  25           HB2      LEU  25  -6.665   4.267   2.255
 1445    HB3  LEU  25           HB1      LEU  25  -7.224   4.057   3.902
 1446    HG   LEU  25           HG       LEU  25  -5.860   1.859   2.357
 1447   HD11  LEU  25          HD11      LEU  25  -4.287   3.654   2.476
 1448   HD12  LEU  25          HD12      LEU  25  -3.847   2.455   3.690
 1449   HD13  LEU  25          HD13      LEU  25  -4.664   3.940   4.173
 1450   HD21  LEU  25          HD21      LEU  25  -6.249   2.270   5.318
 1451   HD22  LEU  25          HD22      LEU  25  -5.516   0.870   4.526
 1452   HD23  LEU  25          HD23      LEU  25  -7.234   1.211   4.306
 1453    H    GLU  26           HN       GLU  26  -9.019   5.146   1.311
 1454    HA   GLU  26           HA       GLU  26 -10.626   6.248   3.372
 1455    HB2  GLU  26           HB2      GLU  26 -10.201   6.965   0.489
 1456    HB3  GLU  26           HB1      GLU  26 -11.365   7.827   1.488
 1457    HG2  GLU  26           HG2      GLU  26  -9.417   8.168   3.117
 1458    HG3  GLU  26           HG1      GLU  26  -8.388   7.695   1.766
 1459    H    LEU  27           HN       LEU  27 -11.412   4.562   0.355
 1460    HA   LEU  27           HA       LEU  27 -14.221   4.846   0.431
 1461    HB2  LEU  27           HB2      LEU  27 -12.358   2.901  -0.869
 1462    HB3  LEU  27           HB1      LEU  27 -14.092   2.663  -0.937
 1463    HG   LEU  27           HG       LEU  27 -12.655   5.115  -1.961
 1464   HD11  LEU  27          HD11      LEU  27 -13.864   2.836  -3.512
 1465   HD12  LEU  27          HD12      LEU  27 -12.140   3.055  -3.222
 1466   HD13  LEU  27          HD13      LEU  27 -13.030   4.246  -4.168
 1467   HD21  LEU  27          HD21      LEU  27 -14.789   5.667  -3.009
 1468   HD22  LEU  27          HD22      LEU  27 -14.977   5.539  -1.260
 1469   HD23  LEU  27          HD23      LEU  27 -15.522   4.224  -2.304
 1470    H    MET  28           HN       MET  28 -12.131   2.415   2.019
 1471    HA   MET  28           HA       MET  28 -14.153   0.640   2.550
 1472    HB2  MET  28           HB2      MET  28 -11.970   1.300   4.544
 1473    HB3  MET  28           HB1      MET  28 -12.882  -0.199   4.462
 1474    HG2  MET  28           HG2      MET  28 -11.780  -0.905   2.550
 1475    HG3  MET  28           HG1      MET  28 -11.199   0.713   2.175
 1476    HE1  MET  28           HE1      MET  28 -10.935  -2.125   4.993
 1477    HE2  MET  28           HE2      MET  28  -9.227  -2.450   4.693
 1478    HE3  MET  28           HE3      MET  28 -10.397  -2.592   3.378
 1479    H    GLU  29           HN       GLU  29 -14.026   3.838   3.759
 1480    HA   GLU  29           HA       GLU  29 -15.592   3.219   6.125
 1481    HB2  GLU  29           HB2      GLU  29 -15.236   5.410   6.783
 1482    HB3  GLU  29           HB1      GLU  29 -13.760   5.033   5.908
 1483    HG2  GLU  29           HG2      GLU  29 -14.719   6.147   3.913
 1484    HG3  GLU  29           HG1      GLU  29 -16.110   6.611   4.888
 1485    H    LEU  30           HN       LEU  30 -16.110   4.027   2.834
 1486    HA   LEU  30           HA       LEU  30 -18.766   5.085   3.387
 1487    HB2  LEU  30           HB2      LEU  30 -18.594   6.234   1.485
 1488    HB3  LEU  30           HB1      LEU  30 -16.895   5.832   1.563
 1489    HG   LEU  30           HG       LEU  30 -18.947   4.284  -0.007
 1490   HD11  LEU  30          HD11      LEU  30 -18.627   6.554  -0.879
 1491   HD12  LEU  30          HD12      LEU  30 -17.960   5.340  -1.971
 1492   HD13  LEU  30          HD13      LEU  30 -16.885   6.280  -0.936
 1493   HD21  LEU  30          HD21      LEU  30 -17.071   2.906   0.627
 1494   HD22  LEU  30          HD22      LEU  30 -15.946   4.137   0.056
 1495   HD23  LEU  30          HD23      LEU  30 -16.980   3.289  -1.092
 1496    H    VAL  31           HN       VAL  31 -17.437   2.171   3.202
 1497    HA   VAL  31           HA       VAL  31 -19.657   0.922   1.759
 1498    HB   VAL  31           HB       VAL  31 -17.645  -0.815   3.024
 1499   HG11  VAL  31          HG11      VAL  31 -19.280  -0.703   0.581
 1500   HG12  VAL  31          HG12      VAL  31 -18.941  -2.051   1.668
 1501   HG13  VAL  31          HG13      VAL  31 -17.746  -1.560   0.471
 1502   HG21  VAL  31          HG21      VAL  31 -16.088   0.856   2.407
 1503   HG22  VAL  31          HG22      VAL  31 -16.866   1.101   0.846
 1504   HG23  VAL  31          HG23      VAL  31 -15.998  -0.398   1.171
 1505    HA   PRO  32           HA       PRO  32 -21.908   0.523   5.593
 1506    HB2  PRO  32           HB2      PRO  32 -22.689  -2.041   4.238
 1507    HB3  PRO  32           HB1      PRO  32 -23.705  -0.882   5.104
 1508    HG2  PRO  32           HG2      PRO  32 -23.612  -0.913   2.430
 1509    HG3  PRO  32           HG1      PRO  32 -23.753   0.605   3.334
 1510    HD2  PRO  32           HD2      PRO  32 -21.444  -0.490   1.845
 1511    HD3  PRO  32           HD1      PRO  32 -21.828   1.195   2.253
 1512    H    GLN  33           HN       GLN  33 -21.066  -0.197   7.461
 1513    HA   GLN  33           HA       GLN  33 -18.839  -1.782   7.717
 1514    HB2  GLN  33           HB2      GLN  33 -19.702  -0.307   9.486
 1515    HB3  GLN  33           HB1      GLN  33 -21.019  -1.432   9.777
 1516    HG2  GLN  33           HG2      GLN  33 -19.414  -3.150  10.433
 1517    HG3  GLN  33           HG1      GLN  33 -18.090  -2.023  10.139
 1518   HE21  GLN  33          HE21      GLN  33 -17.763  -0.309  11.557
 1519   HE22  GLN  33          HE22      GLN  33 -18.474  -0.271  13.132
 1520    HA   PRO  34           HA       PRO  34 -21.785  -5.576   8.773
 1521    HB2  PRO  34           HB2      PRO  34 -23.959  -4.958   6.849
 1522    HB3  PRO  34           HB1      PRO  34 -24.051  -5.669   8.464
 1523    HG2  PRO  34           HG2      PRO  34 -24.805  -3.150   8.041
 1524    HG3  PRO  34           HG1      PRO  34 -23.940  -3.608   9.521
 1525    HD2  PRO  34           HD2      PRO  34 -22.915  -2.221   7.076
 1526    HD3  PRO  34           HD1      PRO  34 -22.536  -1.924   8.785
 1527    H    LEU  35           HN       LEU  35 -21.494  -4.051   5.612
 1528    HA   LEU  35           HA       LEU  35 -21.464  -6.533   4.162
 1529    HB2  LEU  35           HB2      LEU  35 -22.340  -4.399   3.235
 1530    HB3  LEU  35           HB1      LEU  35 -20.718  -3.739   3.284
 1531    HG   LEU  35           HG       LEU  35 -19.980  -5.314   1.609
 1532   HD11  LEU  35          HD11      LEU  35 -22.791  -6.386   1.637
 1533   HD12  LEU  35          HD12      LEU  35 -21.356  -7.227   2.224
 1534   HD13  LEU  35          HD13      LEU  35 -21.516  -6.847   0.509
 1535   HD21  LEU  35          HD21      LEU  35 -21.369  -4.555  -0.281
 1536   HD22  LEU  35          HD22      LEU  35 -20.917  -3.246   0.811
 1537   HD23  LEU  35          HD23      LEU  35 -22.544  -3.924   0.874
 1538    H    VAL  36           HN       VAL  36 -19.128  -4.319   5.531
 1539    HA   VAL  36           HA       VAL  36 -16.824  -5.486   4.230
 1540    HB   VAL  36           HB       VAL  36 -17.038  -3.719   6.686
 1541   HG11  VAL  36          HG11      VAL  36 -14.592  -3.413   6.438
 1542   HG12  VAL  36          HG12      VAL  36 -14.588  -4.683   5.215
 1543   HG13  VAL  36          HG13      VAL  36 -15.043  -5.061   6.876
 1544   HG21  VAL  36          HG21      VAL  36 -17.669  -2.597   4.619
 1545   HG22  VAL  36          HG22      VAL  36 -16.162  -3.114   3.861
 1546   HG23  VAL  36          HG23      VAL  36 -16.127  -1.979   5.211
 1547    H    ASP  37           HN       ASP  37 -18.519  -5.917   7.293
 1548    HA   ASP  37           HA       ASP  37 -16.685  -7.668   8.489
 1549    HB2  ASP  37           HB2      ASP  37 -18.578  -6.697   9.722
 1550    HB3  ASP  37           HB1      ASP  37 -19.708  -7.615   8.731
 1551    H    SER  38           HN       SER  38 -19.445  -8.268   6.296
 1552    HA   SER  38           HA       SER  38 -19.281 -11.051   6.254
 1553    HB2  SER  38           HB2      SER  38 -21.158  -9.775   5.288
 1554    HB3  SER  38           HB1      SER  38 -20.100  -9.206   3.997
 1555    HG   SER  38           HG       SER  38 -21.145 -10.959   3.187
 1556    H    TYR  39           HN       TYR  39 -17.633  -8.659   4.193
 1557    HA   TYR  39           HA       TYR  39 -16.323 -10.487   2.531
 1558    HB2  TYR  39           HB2      TYR  39 -16.217  -8.299   1.760
 1559    HB3  TYR  39           HB1      TYR  39 -15.784  -7.656   3.342
 1560    HD1  TYR  39           HD2      TYR  39 -14.468  -9.638   0.487
 1561    HD2  TYR  39           HD1      TYR  39 -13.549  -7.309   3.922
 1562    HE1  TYR  39           HE2      TYR  39 -12.095  -9.662  -0.140
 1563    HE2  TYR  39           HE1      TYR  39 -11.178  -7.332   3.308
 1564    HH   TYR  39           HH       TYR  39  -9.623  -8.631   1.989
 1565    H    ARG  40           HN       ARG  40 -15.361  -9.026   5.595
 1566    HA   ARG  40           HA       ARG  40 -12.781 -10.029   5.808
 1567    HB2  ARG  40           HB2      ARG  40 -14.346  -8.462   7.359
 1568    HB3  ARG  40           HB1      ARG  40 -14.391  -9.950   8.294
 1569    HG2  ARG  40           HG2      ARG  40 -11.997  -9.960   8.492
 1570    HG3  ARG  40           HG1      ARG  40 -11.868  -8.567   7.415
 1571    HD2  ARG  40           HD2      ARG  40 -13.199  -7.256   9.057
 1572    HD3  ARG  40           HD1      ARG  40 -13.134  -8.638  10.149
 1573    HE   ARG  40           HE       ARG  40 -10.548  -7.772   9.267
 1574   HH11  ARG  40          HH11      ARG  40 -13.087  -7.240  11.594
 1575   HH12  ARG  40          HH12      ARG  40 -12.035  -6.527  12.770
 1576   HH21  ARG  40          HH21      ARG  40  -9.156  -6.834  10.810
 1577   HH22  ARG  40          HH22      ARG  40  -9.801  -6.296  12.325
 1578    H    GLN  41           HN       GLN  41 -15.862 -11.564   6.479
 1579    HA   GLN  41           HA       GLN  41 -14.849 -13.895   7.758
 1580    HB2  GLN  41           HB2      GLN  41 -17.383 -13.525   6.146
 1581    HB3  GLN  41           HB1      GLN  41 -17.030 -14.899   7.185
 1582    HG2  GLN  41           HG2      GLN  41 -16.919 -13.367   9.115
 1583    HG3  GLN  41           HG1      GLN  41 -17.374 -12.039   8.050
 1584   HE21  GLN  41          HE21      GLN  41 -18.442 -14.928   9.653
 1585   HE22  GLN  41          HE22      GLN  41 -20.134 -14.687   9.403
 1586    H    GLN  42           HN       GLN  42 -15.754 -13.253   4.375
 1587    HA   GLN  42           HA       GLN  42 -15.048 -15.782   3.376
 1588    HB2  GLN  42           HB2      GLN  42 -16.416 -14.139   2.137
 1589    HB3  GLN  42           HB1      GLN  42 -14.999 -13.116   1.945
 1590    HG2  GLN  42           HG2      GLN  42 -13.910 -14.874   0.639
 1591    HG3  GLN  42           HG1      GLN  42 -15.338 -15.891   0.826
 1592   HE21  GLN  42          HE21      GLN  42 -15.667 -15.998  -1.392
 1593   HE22  GLN  42          HE22      GLN  42 -16.273 -14.658  -2.300
 1594    H    GLN  43           HN       GLN  43 -13.167 -13.034   4.266
 1595    HA   GLN  43           HA       GLN  43 -10.782 -13.825   2.853
 1596    HB2  GLN  43           HB2      GLN  43 -11.252 -11.463   3.280
 1597    HB3  GLN  43           HB1      GLN  43 -11.254 -11.758   5.012
 1598    HG2  GLN  43           HG2      GLN  43  -8.853 -12.498   4.759
 1599    HG3  GLN  43           HG1      GLN  43  -8.927 -11.847   3.121
 1600   HE21  GLN  43          HE21      GLN  43  -9.068  -9.635   2.816
 1601   HE22  GLN  43          HE22      GLN  43  -8.747  -8.502   4.080
 1602    H    GLN  44           HN       GLN  44 -11.988 -13.952   6.169
 1603    HA   GLN  44           HA       GLN  44  -9.645 -14.956   7.372
 1604    HB2  GLN  44           HB2      GLN  44 -11.623 -13.961   8.574
 1605    HB3  GLN  44           HB1      GLN  44 -12.486 -15.459   8.263
 1606    HG2  GLN  44           HG2      GLN  44 -11.494 -15.304  10.531
 1607    HG3  GLN  44           HG1      GLN  44 -10.980 -16.710   9.603
 1608   HE21  GLN  44          HE21      GLN  44  -9.750 -13.455   9.110
 1609   HE22  GLN  44          HE22      GLN  44  -8.149 -13.781   9.661
 1610    H    LEU  45           HN       LEU  45 -12.064 -16.403   5.415
 1611    HA   LEU  45           HA       LEU  45 -11.989 -19.067   6.190
 1612    HB2  LEU  45           HB2      LEU  45 -13.596 -18.425   4.590
 1613    HB3  LEU  45           HB1      LEU  45 -12.387 -17.726   3.531
 1614    HG   LEU  45           HG       LEU  45 -11.586 -20.309   3.515
 1615   HD11  LEU  45          HD11      LEU  45 -14.587 -20.388   3.769
 1616   HD12  LEU  45          HD12      LEU  45 -13.432 -21.039   4.932
 1617   HD13  LEU  45          HD13      LEU  45 -13.546 -21.739   3.317
 1618   HD21  LEU  45          HD21      LEU  45 -11.922 -18.945   1.552
 1619   HD22  LEU  45          HD22      LEU  45 -13.673 -19.019   1.764
 1620   HD23  LEU  45          HD23      LEU  45 -12.772 -20.480   1.358
 1621    H    LEU  46           HN       LEU  46  -9.907 -17.363   3.869
 1622    HA   LEU  46           HA       LEU  46  -8.080 -19.665   3.921
 1623    HB2  LEU  46           HB2      LEU  46  -8.504 -17.517   1.862
 1624    HB3  LEU  46           HB1      LEU  46  -7.171 -18.655   1.799
 1625    HG   LEU  46           HG       LEU  46 -10.068 -19.486   1.799
 1626   HD11  LEU  46          HD11      LEU  46  -9.658 -19.955  -0.632
 1627   HD12  LEU  46          HD12      LEU  46  -8.196 -18.978  -0.498
 1628   HD13  LEU  46          HD13      LEU  46  -9.776 -18.250  -0.201
 1629   HD21  LEU  46          HD21      LEU  46  -8.444 -21.161   2.580
 1630   HD22  LEU  46          HD22      LEU  46  -7.561 -20.983   1.064
 1631   HD23  LEU  46          HD23      LEU  46  -9.205 -21.621   1.057
 1632    H    GLN  47           HN       GLN  47  -7.724 -16.175   3.260
 1633    HA   GLN  47           HA       GLN  47  -6.159 -14.661   3.922
 1634    HB2  GLN  47           HB2      GLN  47  -7.237 -15.632   6.183
 1635    HB3  GLN  47           HB1      GLN  47  -5.572 -16.136   6.433
 1636    HG2  GLN  47           HG2      GLN  47  -6.376 -13.313   5.795
 1637    HG3  GLN  47           HG1      GLN  47  -6.193 -13.933   7.434
 1638   HE21  GLN  47          HE21      GLN  47  -4.560 -13.038   4.503
 1639   HE22  GLN  47          HE22      GLN  47  -2.962 -13.009   5.160
 1640    H    ARG  48           HN       ARG  48  -5.298 -16.912   2.368
 1641    HA   ARG  48           HA       ARG  48  -2.453 -16.789   2.972
 1642    HB2  ARG  48           HB2      ARG  48  -3.959 -19.389   2.661
 1643    HB3  ARG  48           HB1      ARG  48  -2.208 -19.251   2.607
 1644    HG2  ARG  48           HG2      ARG  48  -2.178 -18.441   4.888
 1645    HG3  ARG  48           HG1      ARG  48  -3.941 -18.509   4.949
 1646    HD2  ARG  48           HD2      ARG  48  -3.832 -20.939   4.548
 1647    HD3  ARG  48           HD1      ARG  48  -2.071 -20.845   4.566
 1648    HE   ARG  48           HE       ARG  48  -3.123 -19.747   6.945
 1649   HH11  ARG  48          HH11      ARG  48  -2.624 -22.800   5.341
 1650   HH12  ARG  48          HH12      ARG  48  -2.523 -23.704   6.814
 1651   HH21  ARG  48          HH21      ARG  48  -2.992 -20.932   8.891
 1652   HH22  ARG  48          HH22      ARG  48  -2.732 -22.643   8.831
  Start of MODEL   14
    1    H    ASP   1           HT1      ASP   1   6.600 -16.203  16.094
    2    HA   ASP   1           HA       ASP   1   6.262 -15.914  13.728
    3    HB2  ASP   1           HB2      ASP   1   3.972 -14.909  15.435
    4    HB3  ASP   1           HB1      ASP   1   3.818 -15.549  13.801
    5    H    GLU   2           HN       GLU   2   7.325 -14.395  12.544
    6    HA   GLU   2           HA       GLU   2   5.909 -12.023  11.856
    7    HB2  GLU   2           HB2      GLU   2   7.565 -10.375  12.557
    8    HB3  GLU   2           HB1      GLU   2   6.934 -11.240  13.952
    9    HG2  GLU   2           HG2      GLU   2   8.937 -12.635  13.997
   10    HG3  GLU   2           HG1      GLU   2   9.570 -11.767  12.598
   11    H    ASP   3           HN       ASP   3   7.521 -14.500  10.915
   12    HA   ASP   3           HA       ASP   3   9.518 -13.336   9.192
   13    HB2  ASP   3           HB2      ASP   3   8.376 -16.138   9.200
   14    HB3  ASP   3           HB1      ASP   3   9.827 -15.611   8.353
   15    H    THR   4           HN       THR   4   8.675 -15.308   6.987
   16    HA   THR   4           HA       THR   4   7.178 -13.389   5.498
   17    HB   THR   4           HB       THR   4   7.304 -16.094   4.387
   18    HG1  THR   4           HG1      THR   4   9.717 -15.207   3.968
   19   HG21  THR   4          HG21      THR   4   8.085 -14.869   2.412
   20   HG22  THR   4          HG22      THR   4   8.181 -13.391   3.375
   21   HG23  THR   4          HG23      THR   4   6.616 -14.147   3.072
   22    H    TYR   5           HN       TYR   5   5.161 -13.465   4.758
   23    HA   TYR   5           HA       TYR   5   3.305 -15.319   6.097
   24    HB2  TYR   5           HB2      TYR   5   3.153 -12.356   5.723
   25    HB3  TYR   5           HB1      TYR   5   1.732 -13.340   6.068
   26    HD1  TYR   5           HD1      TYR   5   1.751 -14.763   8.173
   27    HD2  TYR   5           HD2      TYR   5   4.567 -11.659   7.454
   28    HE1  TYR   5           HE1      TYR   5   2.262 -14.680  10.575
   29    HE2  TYR   5           HE2      TYR   5   5.084 -11.563   9.854
   30    HH   TYR   5           HH       TYR   5   4.281 -12.197  11.943
   31    H    TYR   6           HN       TYR   6   1.192 -15.526   4.833
   32    HA   TYR   6           HA       TYR   6   1.607 -14.835   2.010
   33    HB2  TYR   6           HB2      TYR   6  -0.316 -16.954   2.990
   34    HB3  TYR   6           HB1      TYR   6   0.324 -16.740   1.367
   35    HD1  TYR   6           HD2      TYR   6   3.223 -16.387   2.049
   36    HD2  TYR   6           HD1      TYR   6   0.341 -19.171   3.468
   37    HE1  TYR   6           HE2      TYR   6   5.022 -17.983   2.524
   38    HE2  TYR   6           HE1      TYR   6   2.133 -20.784   3.957
   39    HH   TYR   6           HH       TYR   6   5.421 -19.930   3.971
   40    H    LEU   7           HN       LEU   7   0.332 -13.472   1.071
   41    HA   LEU   7           HA       LEU   7  -2.065 -12.509   2.508
   42    HB2  LEU   7           HB2      LEU   7   0.215 -11.212   1.685
   43    HB3  LEU   7           HB1      LEU   7  -0.875 -10.910   0.359
   44    HG   LEU   7           HG       LEU   7  -2.122  -9.442   1.543
   45   HD11  LEU   7          HD11      LEU   7  -1.759  -9.629   4.248
   46   HD12  LEU   7          HD12      LEU   7  -1.850 -11.314   3.729
   47   HD13  LEU   7          HD13      LEU   7  -3.159 -10.202   3.343
   48   HD21  LEU   7          HD21      LEU   7  -0.687  -8.013   2.789
   49   HD22  LEU   7          HD22      LEU   7   0.257  -8.764   1.498
   50   HD23  LEU   7          HD23      LEU   7   0.402  -9.353   3.154
   51    H    GLN   8           HN       GLN   8  -3.819 -13.567   1.554
   52    HA   GLN   8           HA       GLN   8  -3.782 -14.042  -1.241
   53    HB2  GLN   8           HB2      GLN   8  -5.092 -15.173   0.850
   54    HB3  GLN   8           HB1      GLN   8  -6.377 -14.236   0.098
   55    HG2  GLN   8           HG2      GLN   8  -5.539 -15.326  -2.089
   56    HG3  GLN   8           HG1      GLN   8  -4.799 -16.501  -1.007
   57   HE21  GLN   8          HE21      GLN   8  -7.100 -16.078   0.910
   58   HE22  GLN   8          HE22      GLN   8  -8.380 -17.022   0.243
   59    H    VAL   9           HN       VAL   9  -4.068 -12.577  -2.689
   60    HA   VAL   9           HA       VAL   9  -5.916 -10.404  -2.076
   61    HB   VAL   9           HB       VAL   9  -3.345 -10.333  -3.645
   62   HG11  VAL   9          HG11      VAL   9  -3.869  -7.956  -4.153
   63   HG12  VAL   9          HG12      VAL   9  -5.521  -8.258  -3.608
   64   HG13  VAL   9          HG13      VAL   9  -4.877  -9.125  -5.004
   65   HG21  VAL   9          HG21      VAL   9  -2.619  -8.747  -2.061
   66   HG22  VAL   9          HG22      VAL   9  -3.390 -10.039  -1.140
   67   HG23  VAL   9          HG23      VAL   9  -4.248  -8.526  -1.427
   68    H    ARG  10           HN       ARG  10  -7.610 -10.114  -3.404
   69    HA   ARG  10           HA       ARG  10  -7.736 -11.882  -5.744
   70    HB2  ARG  10           HB2      ARG  10  -9.508 -11.914  -3.852
   71    HB3  ARG  10           HB1      ARG  10 -10.083 -10.410  -4.558
   72    HG2  ARG  10           HG2      ARG  10  -9.750 -12.841  -6.261
   73    HG3  ARG  10           HG1      ARG  10 -11.179 -12.647  -5.245
   74    HD2  ARG  10           HD2      ARG  10 -11.613 -10.472  -6.328
   75    HD3  ARG  10           HD1      ARG  10 -10.223 -10.740  -7.378
   76    HE   ARG  10           HE       ARG  10 -11.996 -12.920  -7.576
   77   HH11  ARG  10          HH11      ARG  10 -11.713  -9.567  -8.483
   78   HH12  ARG  10          HH12      ARG  10 -12.729  -9.726  -9.876
   79   HH21  ARG  10          HH21      ARG  10 -13.335 -13.137  -9.409
   80   HH22  ARG  10          HH22      ARG  10 -13.651 -11.754 -10.403
   81    H    GLY  11           HN       GLY  11  -8.013 -11.152  -7.748
   82    HA2  GLY  11           HA2      GLY  11  -8.541  -9.550  -9.412
   83    HA3  GLY  11           HA1      GLY  11  -8.570  -8.304  -8.172
   84    H    ARG  12           HN       ARG  12  -6.971  -9.209 -10.812
   85    HA   ARG  12           HA       ARG  12  -4.269  -9.221 -10.227
   86    HB2  ARG  12           HB2      ARG  12  -5.527  -9.510 -12.489
   87    HB3  ARG  12           HB1      ARG  12  -5.295  -7.774 -12.643
   88    HG2  ARG  12           HG2      ARG  12  -3.510  -8.802 -13.791
   89    HG3  ARG  12           HG1      ARG  12  -2.842  -8.177 -12.281
   90    HD2  ARG  12           HD2      ARG  12  -3.069 -10.429 -11.293
   91    HD3  ARG  12           HD1      ARG  12  -3.636 -11.029 -12.851
   92    HE   ARG  12           HE       ARG  12  -0.979  -9.793 -12.598
   93   HH11  ARG  12          HH11      ARG  12  -3.004 -12.507 -13.423
   94   HH12  ARG  12          HH12      ARG  12  -1.715 -13.416 -14.139
   95   HH21  ARG  12          HH21      ARG  12   0.722 -10.981 -13.541
   96   HH22  ARG  12          HH22      ARG  12   0.402 -12.547 -14.208
   97    H    GLU  13           HN       GLU  13  -6.247  -6.294 -10.870
   98    HA   GLU  13           HA       GLU  13  -4.211  -4.455 -10.773
   99    HB2  GLU  13           HB2      GLU  13  -6.620  -4.026 -11.335
  100    HB3  GLU  13           HB1      GLU  13  -6.956  -4.008  -9.608
  101    HG2  GLU  13           HG2      GLU  13  -6.740  -1.764 -10.245
  102    HG3  GLU  13           HG1      GLU  13  -5.240  -2.181  -9.418
  103    H    ASN  14           HN       ASN  14  -6.078  -5.721  -8.029
  104    HA   ASN  14           HA       ASN  14  -4.814  -4.142  -6.030
  105    HB2  ASN  14           HB2      ASN  14  -6.163  -6.831  -5.719
  106    HB3  ASN  14           HB1      ASN  14  -5.875  -5.640  -4.454
  107   HD21  ASN  14          HD21      ASN  14  -8.381  -6.789  -5.274
  108   HD22  ASN  14          HD22      ASN  14  -9.384  -5.483  -5.795
  109    H    PHE  15           HN       PHE  15  -4.263  -7.430  -7.238
  110    HA   PHE  15           HA       PHE  15  -2.257  -8.203  -5.474
  111    HB2  PHE  15           HB2      PHE  15  -3.438  -9.685  -7.094
  112    HB3  PHE  15           HB1      PHE  15  -2.489  -8.968  -8.390
  113    HD1  PHE  15           HD2      PHE  15  -1.384  -9.970  -4.973
  114    HD2  PHE  15           HD1      PHE  15  -1.191 -10.721  -9.167
  115    HE1  PHE  15           HE2      PHE  15   0.378 -11.620  -4.591
  116    HE2  PHE  15           HE1      PHE  15   0.601 -12.372  -8.777
  117    HZ   PHE  15           HZ       PHE  15   1.384 -12.817  -6.480
  118    H    GLU  16           HN       GLU  16  -1.968  -6.551  -8.612
  119    HA   GLU  16           HA       GLU  16   0.862  -6.397  -8.691
  120    HB2  GLU  16           HB2      GLU  16  -1.236  -4.620  -9.946
  121    HB3  GLU  16           HB1      GLU  16   0.478  -4.583 -10.337
  122    HG2  GLU  16           HG2      GLU  16  -1.350  -6.943 -10.720
  123    HG3  GLU  16           HG1      GLU  16  -0.825  -5.833 -11.984
  124    H    ILE  17           HN       ILE  17  -1.524  -4.020  -7.479
  125    HA   ILE  17           HA       ILE  17   0.419  -2.072  -6.850
  126    HB   ILE  17           HB       ILE  17  -2.416  -2.490  -6.201
  127   HG12  ILE  17          HG12      ILE  17  -0.978   0.112  -6.597
  128   HG13  ILE  17          HG11      ILE  17  -1.244  -0.965  -7.960
  129   HG21  ILE  17          HG21      ILE  17  -0.699  -0.766  -4.416
  130   HG22  ILE  17          HG22      ILE  17  -1.527  -2.249  -3.932
  131   HG23  ILE  17          HG23      ILE  17  -2.463  -0.831  -4.408
  132   HD11  ILE  17          HD11      ILE  17  -2.930   0.834  -7.707
  133   HD12  ILE  17          HD12      ILE  17  -3.430   0.091  -6.185
  134   HD13  ILE  17          HD13      ILE  17  -3.611  -0.795  -7.701
  135    H    LEU  18           HN       LEU  18  -0.905  -4.794  -4.972
  136    HA   LEU  18           HA       LEU  18   0.493  -4.073  -2.572
  137    HB2  LEU  18           HB2      LEU  18  -1.089  -6.462  -3.473
  138    HB3  LEU  18           HB1      LEU  18  -0.237  -6.436  -1.941
  139    HG   LEU  18           HG       LEU  18  -2.071  -4.168  -2.469
  140   HD11  LEU  18          HD11      LEU  18  -4.050  -5.348  -2.016
  141   HD12  LEU  18          HD12      LEU  18  -3.174  -6.811  -1.578
  142   HD13  LEU  18          HD13      LEU  18  -3.232  -6.291  -3.262
  143   HD21  LEU  18          HD21      LEU  18  -1.470  -5.905  -0.079
  144   HD22  LEU  18          HD22      LEU  18  -2.536  -4.500  -0.078
  145   HD23  LEU  18          HD23      LEU  18  -0.814  -4.300  -0.401
  146    H    MET  19           HN       MET  19   1.042  -6.223  -5.315
  147    HA   MET  19           HA       MET  19   3.198  -7.654  -4.167
  148    HB2  MET  19           HB2      MET  19   1.767  -8.029  -6.419
  149    HB3  MET  19           HB1      MET  19   3.164  -7.235  -7.121
  150    HG2  MET  19           HG2      MET  19   3.112  -9.805  -5.567
  151    HG3  MET  19           HG1      MET  19   3.448  -9.587  -7.280
  152    HE1  MET  19           HE1      MET  19   6.754 -10.806  -5.372
  153    HE2  MET  19           HE2      MET  19   5.694 -11.207  -6.723
  154    HE3  MET  19           HE3      MET  19   5.060 -11.204  -5.076
  155    H    LYS  20           HN       LYS  20   3.137  -4.892  -6.393
  156    HA   LYS  20           HA       LYS  20   5.887  -4.394  -6.535
  157    HB2  LYS  20           HB2      LYS  20   3.843  -3.306  -7.753
  158    HB3  LYS  20           HB1      LYS  20   3.885  -2.176  -6.409
  159    HG2  LYS  20           HG2      LYS  20   6.315  -2.749  -8.072
  160    HG3  LYS  20           HG1      LYS  20   5.126  -1.531  -8.533
  161    HD2  LYS  20           HD2      LYS  20   5.465  -0.506  -6.254
  162    HD3  LYS  20           HD1      LYS  20   6.831  -1.604  -6.052
  163    HE2  LYS  20           HE2      LYS  20   6.525   0.395  -8.288
  164    HE3  LYS  20           HE1      LYS  20   7.507   0.634  -6.844
  165    HZ1  LYS  20           HZ1      LYS  20   7.900  -1.508  -8.864
  166    HZ2  LYS  20           HZ2      LYS  20   8.849  -1.270  -7.485
  167    HZ3  LYS  20           HZ3      LYS  20   8.841  -0.110  -8.716
  168    H    LEU  21           HN       LEU  21   3.425  -3.483  -4.228
  169    HA   LEU  21           HA       LEU  21   5.066  -1.825  -2.623
  170    HB2  LEU  21           HB2      LEU  21   2.467  -2.028  -2.769
  171    HB3  LEU  21           HB1      LEU  21   2.654  -3.360  -1.657
  172    HG   LEU  21           HG       LEU  21   3.125  -0.444  -1.170
  173   HD11  LEU  21          HD11      LEU  21   1.371  -2.581  -0.014
  174   HD12  LEU  21          HD12      LEU  21   0.899  -1.078  -0.801
  175   HD13  LEU  21          HD13      LEU  21   1.644  -1.042   0.797
  176   HD21  LEU  21          HD21      LEU  21   4.014  -2.736   0.577
  177   HD22  LEU  21          HD22      LEU  21   3.942  -1.045   1.077
  178   HD23  LEU  21          HD23      LEU  21   5.051  -1.540  -0.201
  179    H    LYS  22           HN       LYS  22   4.178  -5.224  -2.451
  180    HA   LYS  22           HA       LYS  22   5.236  -5.953  -0.035
  181    HB2  LYS  22           HB2      LYS  22   3.964  -7.452  -1.470
  182    HB3  LYS  22           HB1      LYS  22   5.243  -7.431  -2.672
  183    HG2  LYS  22           HG2      LYS  22   6.696  -8.670  -1.269
  184    HG3  LYS  22           HG1      LYS  22   5.611  -8.494   0.112
  185    HD2  LYS  22           HD2      LYS  22   4.694 -10.437  -0.487
  186    HD3  LYS  22           HD1      LYS  22   4.029  -9.598  -1.887
  187    HE2  LYS  22           HE2      LYS  22   6.174 -10.108  -3.086
  188    HE3  LYS  22           HE1      LYS  22   6.612 -11.132  -1.719
  189    HZ1  LYS  22           HZ1      LYS  22   5.634 -12.439  -3.476
  190    HZ2  LYS  22           HZ2      LYS  22   4.241 -11.482  -3.470
  191    HZ3  LYS  22           HZ3      LYS  22   4.611 -12.442  -2.129
  192    H    GLU  23           HN       GLU  23   6.845  -5.512  -3.136
  193    HA   GLU  23           HA       GLU  23   9.424  -6.319  -2.257
  194    HB2  GLU  23           HB2      GLU  23   8.555  -4.590  -4.582
  195    HB3  GLU  23           HB1      GLU  23  10.211  -5.119  -4.315
  196    HG2  GLU  23           HG2      GLU  23   9.568  -7.422  -4.582
  197    HG3  GLU  23           HG1      GLU  23   7.872  -6.969  -4.701
  198    H    SER  24           HN       SER  24   7.892  -3.100  -2.543
  199    HA   SER  24           HA       SER  24  10.143  -1.684  -1.747
  200    HB2  SER  24           HB2      SER  24   8.652   0.180  -1.238
  201    HB3  SER  24           HB1      SER  24   8.121  -0.622  -2.711
  202    HG   SER  24           HG       SER  24   6.447  -0.112  -1.120
  203    H    LEU  25           HN       LEU  25   7.526  -3.006   0.281
  204    HA   LEU  25           HA       LEU  25   8.504  -2.014   2.754
  205    HB2  LEU  25           HB2      LEU  25   6.557  -4.105   1.916
  206    HB3  LEU  25           HB1      LEU  25   7.132  -4.117   3.572
  207    HG   LEU  25           HG       LEU  25   5.843  -1.717   2.272
  208   HD11  LEU  25          HD11      LEU  25   3.859  -2.315   3.611
  209   HD12  LEU  25          HD12      LEU  25   4.634  -3.841   4.033
  210   HD13  LEU  25          HD13      LEU  25   4.221  -3.497   2.354
  211   HD21  LEU  25          HD21      LEU  25   6.336  -2.355   5.176
  212   HD22  LEU  25          HD22      LEU  25   5.661  -0.867   4.515
  213   HD23  LEU  25          HD23      LEU  25   7.345  -1.287   4.200
  214    H    GLU  26           HN       GLU  26   8.931  -5.138   1.131
  215    HA   GLU  26           HA       GLU  26  10.495  -6.290   3.194
  216    HB2  GLU  26           HB2      GLU  26  10.149  -6.963   0.281
  217    HB3  GLU  26           HB1      GLU  26  11.202  -7.890   1.340
  218    HG2  GLU  26           HG2      GLU  26   9.205  -8.240   2.831
  219    HG3  GLU  26           HG1      GLU  26   8.225  -7.545   1.541
  220    H    LEU  27           HN       LEU  27  11.334  -4.605   0.199
  221    HA   LEU  27           HA       LEU  27  14.155  -4.908   0.400
  222    HB2  LEU  27           HB2      LEU  27  12.346  -3.066  -1.116
  223    HB3  LEU  27           HB1      LEU  27  14.082  -2.823  -1.119
  224    HG   LEU  27           HG       LEU  27  12.808  -5.428  -1.943
  225   HD11  LEU  27          HD11      LEU  27  13.057  -4.732  -4.241
  226   HD12  LEU  27          HD12      LEU  27  13.680  -3.164  -3.728
  227   HD13  LEU  27          HD13      LEU  27  12.007  -3.604  -3.386
  228   HD21  LEU  27          HD21      LEU  27  15.149  -5.564  -1.313
  229   HD22  LEU  27          HD22      LEU  27  15.538  -4.238  -2.409
  230   HD23  LEU  27          HD23      LEU  27  14.966  -5.776  -3.054
  231    H    MET  28           HN       MET  28  11.955  -2.462   1.760
  232    HA   MET  28           HA       MET  28  13.901  -0.628   2.332
  233    HB2  MET  28           HB2      MET  28  11.424  -0.315   2.721
  234    HB3  MET  28           HB1      MET  28  11.599  -1.238   4.208
  235    HG2  MET  28           HG2      MET  28  13.431   0.533   4.747
  236    HG3  MET  28           HG1      MET  28  12.581   1.488   3.543
  237    HE1  MET  28           HE1      MET  28   9.576   1.356   3.863
  238    HE2  MET  28           HE2      MET  28  10.596   2.790   3.893
  239    HE3  MET  28           HE3      MET  28   9.370   2.552   5.139
  240    H    GLU  29           HN       GLU  29  13.778  -3.785   3.562
  241    HA   GLU  29           HA       GLU  29  15.182  -3.141   6.029
  242    HB2  GLU  29           HB2      GLU  29  14.772  -5.301   6.689
  243    HB3  GLU  29           HB1      GLU  29  13.393  -5.005   5.640
  244    HG2  GLU  29           HG2      GLU  29  14.622  -6.131   3.800
  245    HG3  GLU  29           HG1      GLU  29  15.897  -6.524   4.950
  246    H    LEU  30           HN       LEU  30  15.907  -4.054   2.767
  247    HA   LEU  30           HA       LEU  30  18.529  -5.096   3.490
  248    HB2  LEU  30           HB2      LEU  30  18.464  -6.244   1.582
  249    HB3  LEU  30           HB1      LEU  30  16.767  -5.827   1.559
  250    HG   LEU  30           HG       LEU  30  18.929  -4.316   0.106
  251   HD11  LEU  30          HD11      LEU  30  16.860  -6.234  -0.953
  252   HD12  LEU  30          HD12      LEU  30  18.579  -6.584  -0.774
  253   HD13  LEU  30          HD13      LEU  30  18.047  -5.342  -1.909
  254   HD21  LEU  30          HD21      LEU  30  16.994  -3.314  -1.098
  255   HD22  LEU  30          HD22      LEU  30  17.113  -2.845   0.596
  256   HD23  LEU  30          HD23      LEU  30  15.937  -4.059   0.096
  257    H    VAL  31           HN       VAL  31  17.316  -2.155   3.259
  258    HA   VAL  31           HA       VAL  31  19.625  -1.012   1.852
  259    HB   VAL  31           HB       VAL  31  17.644   0.000   1.049
  260   HG11  VAL  31          HG11      VAL  31  15.954   1.020   2.506
  261   HG12  VAL  31          HG12      VAL  31  16.823   0.417   3.918
  262   HG13  VAL  31          HG13      VAL  31  16.105  -0.716   2.774
  263   HG21  VAL  31          HG21      VAL  31  19.153   1.684   3.009
  264   HG22  VAL  31          HG22      VAL  31  17.804   2.361   2.106
  265   HG23  VAL  31          HG23      VAL  31  19.195   1.706   1.246
  266    HA   PRO  32           HA       PRO  32  21.798  -0.574   5.701
  267    HB2  PRO  32           HB2      PRO  32  22.618   1.962   4.314
  268    HB3  PRO  32           HB1      PRO  32  23.612   0.818   5.225
  269    HG2  PRO  32           HG2      PRO  32  23.561   0.782   2.550
  270    HG3  PRO  32           HG1      PRO  32  23.676  -0.713   3.494
  271    HD2  PRO  32           HD2      PRO  32  21.406   0.351   1.931
  272    HD3  PRO  32           HD1      PRO  32  21.760  -1.321   2.412
  273    H    GLN  33           HN       GLN  33  21.003   0.190   7.565
  274    HA   GLN  33           HA       GLN  33  18.800   1.817   7.823
  275    HB2  GLN  33           HB2      GLN  33  19.693   0.315   9.582
  276    HB3  GLN  33           HB1      GLN  33  20.979   1.474   9.886
  277    HG2  GLN  33           HG2      GLN  33  19.256   1.732  11.535
  278    HG3  GLN  33           HG1      GLN  33  19.289   3.154  10.494
  279   HE21  GLN  33          HE21      GLN  33  17.599   3.509   9.053
  280   HE22  GLN  33          HE22      GLN  33  16.081   2.697   9.200
  281    HA   PRO  34           HA       PRO  34  21.852   5.545   8.860
  282    HB2  PRO  34           HB2      PRO  34  23.971   4.868   6.889
  283    HB3  PRO  34           HB1      PRO  34  24.114   5.594   8.493
  284    HG2  PRO  34           HG2      PRO  34  24.800   3.056   8.090
  285    HG3  PRO  34           HG1      PRO  34  23.966   3.548   9.577
  286    HD2  PRO  34           HD2      PRO  34  22.877   2.158   7.162
  287    HD3  PRO  34           HD1      PRO  34  22.513   1.889   8.879
  288    H    LEU  35           HN       LEU  35  21.556   4.050   5.675
  289    HA   LEU  35           HA       LEU  35  21.517   6.542   4.254
  290    HB2  LEU  35           HB2      LEU  35  22.388   4.477   3.251
  291    HB3  LEU  35           HB1      LEU  35  20.815   3.725   3.410
  292    HG   LEU  35           HG       LEU  35  19.885   5.260   1.783
  293   HD11  LEU  35          HD11      LEU  35  21.302   6.809   0.539
  294   HD12  LEU  35          HD12      LEU  35  22.654   6.420   1.604
  295   HD13  LEU  35          HD13      LEU  35  21.224   7.228   2.250
  296   HD21  LEU  35          HD21      LEU  35  22.436   3.977   0.836
  297   HD22  LEU  35          HD22      LEU  35  21.094   4.482  -0.192
  298   HD23  LEU  35          HD23      LEU  35  20.866   3.188   0.984
  299    H    VAL  36           HN       VAL  36  19.195   4.347   5.653
  300    HA   VAL  36           HA       VAL  36  16.884   5.517   4.382
  301    HB   VAL  36           HB       VAL  36  17.144   3.708   6.799
  302   HG11  VAL  36          HG11      VAL  36  14.646   4.752   5.469
  303   HG12  VAL  36          HG12      VAL  36  15.181   5.079   7.117
  304   HG13  VAL  36          HG13      VAL  36  14.686   3.450   6.658
  305   HG21  VAL  36          HG21      VAL  36  16.167   2.021   5.331
  306   HG22  VAL  36          HG22      VAL  36  17.659   2.667   4.648
  307   HG23  VAL  36          HG23      VAL  36  16.099   3.195   4.016
  308    H    ASP  37           HN       ASP  37  18.597   5.959   7.437
  309    HA   ASP  37           HA       ASP  37  16.777   7.712   8.648
  310    HB2  ASP  37           HB2      ASP  37  18.692   6.745   9.854
  311    HB3  ASP  37           HB1      ASP  37  19.801   7.676   8.851
  312    H    SER  38           HN       SER  38  19.491   8.310   6.405
  313    HA   SER  38           HA       SER  38  19.318  11.091   6.358
  314    HB2  SER  38           HB2      SER  38  21.181   9.837   5.352
  315    HB3  SER  38           HB1      SER  38  20.099   9.233   4.097
  316    HG   SER  38           HG       SER  38  20.961  11.890   4.540
  317    H    TYR  39           HN       TYR  39  17.625   8.681   4.361
  318    HA   TYR  39           HA       TYR  39  16.275  10.491   2.698
  319    HB2  TYR  39           HB2      TYR  39  16.165   8.312   1.922
  320    HB3  TYR  39           HB1      TYR  39  15.819   7.651   3.517
  321    HD1  TYR  39           HD1      TYR  39  14.338   9.540   0.692
  322    HD2  TYR  39           HD2      TYR  39  13.595   7.294   4.227
  323    HE1  TYR  39           HE1      TYR  39  11.944   9.489   0.152
  324    HE2  TYR  39           HE2      TYR  39  11.209   7.236   3.700
  325    HH   TYR  39           HH       TYR  39   9.575   8.537   2.383
  326    H    ARG  40           HN       ARG  40  15.299   8.986   5.758
  327    HA   ARG  40           HA       ARG  40  12.713   9.992   5.924
  328    HB2  ARG  40           HB2      ARG  40  14.734   9.212   8.006
  329    HB3  ARG  40           HB1      ARG  40  13.159   9.842   8.470
  330    HG2  ARG  40           HG2      ARG  40  12.067   8.029   7.271
  331    HG3  ARG  40           HG1      ARG  40  13.640   7.406   6.769
  332    HD2  ARG  40           HD2      ARG  40  14.246   7.043   9.106
  333    HD3  ARG  40           HD1      ARG  40  12.687   7.688   9.616
  334    HE   ARG  40           HE       ARG  40  12.265   5.550   7.842
  335   HH11  ARG  40          HH11      ARG  40  13.414   6.174  11.073
  336   HH12  ARG  40          HH12      ARG  40  12.932   4.625  11.681
  337   HH21  ARG  40          HH21      ARG  40  11.629   3.509   8.635
  338   HH22  ARG  40          HH22      ARG  40  11.918   3.111  10.296
  339    H    GLN  41           HN       GLN  41  15.781  11.498   6.693
  340    HA   GLN  41           HA       GLN  41  14.711  13.817   7.960
  341    HB2  GLN  41           HB2      GLN  41  17.077  13.043   8.168
  342    HB3  GLN  41           HB1      GLN  41  17.339  13.527   6.497
  343    HG2  GLN  41           HG2      GLN  41  18.161  15.286   7.799
  344    HG3  GLN  41           HG1      GLN  41  16.601  15.835   7.191
  345   HE21  GLN  41          HE21      GLN  41  18.376  14.772   9.985
  346   HE22  GLN  41          HE22      GLN  41  17.229  15.298  11.165
  347    H    GLN  42           HN       GLN  42  15.870  13.193   4.654
  348    HA   GLN  42           HA       GLN  42  15.312  15.735   3.622
  349    HB2  GLN  42           HB2      GLN  42  16.719  14.088   2.465
  350    HB3  GLN  42           HB1      GLN  42  15.308  13.076   2.184
  351    HG2  GLN  42           HG2      GLN  42  14.321  14.820   0.798
  352    HG3  GLN  42           HG1      GLN  42  15.721  15.850   1.092
  353   HE21  GLN  42          HE21      GLN  42  14.528  13.024  -0.537
  354   HE22  GLN  42          HE22      GLN  42  15.864  12.830  -1.615
  355    H    GLN  43           HN       GLN  43  13.250  12.993   4.233
  356    HA   GLN  43           HA       GLN  43  11.045  14.109   2.711
  357    HB2  GLN  43           HB2      GLN  43  11.412  11.660   2.787
  358    HB3  GLN  43           HB1      GLN  43  11.107  11.685   4.519
  359    HG2  GLN  43           HG2      GLN  43   9.150  10.940   3.289
  360    HG3  GLN  43           HG1      GLN  43   8.836  12.461   4.124
  361   HE21  GLN  43          HE21      GLN  43   7.169  13.060   2.779
  362   HE22  GLN  43          HE22      GLN  43   7.413  13.535   1.136
  363    H    GLN  44           HN       GLN  44  12.136  13.878   6.018
  364    HA   GLN  44           HA       GLN  44   9.721  14.591   7.295
  365    HB2  GLN  44           HB2      GLN  44  11.981  13.692   8.283
  366    HB3  GLN  44           HB1      GLN  44  12.385  15.398   8.406
  367    HG2  GLN  44           HG2      GLN  44  11.485  14.593  10.493
  368    HG3  GLN  44           HG1      GLN  44  10.384  15.764   9.768
  369   HE21  GLN  44          HE21      GLN  44   8.594  15.001  10.865
  370   HE22  GLN  44          HE22      GLN  44   7.859  13.479  10.505
  371    H    LEU  45           HN       LEU  45  12.064  16.361   5.518
  372    HA   LEU  45           HA       LEU  45  11.789  18.942   6.501
  373    HB2  LEU  45           HB2      LEU  45  13.432  18.783   4.906
  374    HB3  LEU  45           HB1      LEU  45  12.484  17.728   3.878
  375    HG   LEU  45           HG       LEU  45  11.056  19.895   3.471
  376   HD11  LEU  45          HD11      LEU  45  12.181  21.285   5.108
  377   HD12  LEU  45          HD12      LEU  45  12.434  21.921   3.483
  378   HD13  LEU  45          HD13      LEU  45  13.723  21.030   4.292
  379   HD21  LEU  45          HD21      LEU  45  12.636  20.486   1.601
  380   HD22  LEU  45          HD22      LEU  45  12.126  18.799   1.676
  381   HD23  LEU  45          HD23      LEU  45  13.729  19.264   2.252
  382    H    LEU  46           HN       LEU  46   9.907  17.326   3.960
  383    HA   LEU  46           HA       LEU  46   7.702  19.191   4.497
  384    HB2  LEU  46           HB2      LEU  46   8.658  20.007   2.490
  385    HB3  LEU  46           HB1      LEU  46   8.859  18.394   1.838
  386    HG   LEU  46           HG       LEU  46   6.406  18.194   1.618
  387   HD11  LEU  46          HD11      LEU  46   5.732  19.684   3.402
  388   HD12  LEU  46          HD12      LEU  46   5.019  20.192   1.872
  389   HD13  LEU  46          HD13      LEU  46   6.404  21.062   2.531
  390   HD21  LEU  46          HD21      LEU  46   6.161  19.779  -0.240
  391   HD22  LEU  46          HD22      LEU  46   7.718  18.953  -0.278
  392   HD23  LEU  46          HD23      LEU  46   7.617  20.618   0.295
  393    H    GLN  47           HN       GLN  47   6.410  17.793   5.588
  394    HA   GLN  47           HA       GLN  47   5.923  15.121   4.549
  395    HB2  GLN  47           HB2      GLN  47   5.974  16.208   7.101
  396    HB3  GLN  47           HB1      GLN  47   4.261  15.962   6.792
  397    HG2  GLN  47           HG2      GLN  47   5.022  14.000   7.831
  398    HG3  GLN  47           HG1      GLN  47   4.845  13.603   6.121
  399   HE21  GLN  47          HE21      GLN  47   6.706  13.346   4.850
  400   HE22  GLN  47          HE22      GLN  47   8.248  13.025   5.561
  401    H    ARG  48           HN       ARG  48   5.053  17.371   2.960
  402    HA   ARG  48           HA       ARG  48   2.193  16.733   2.846
  403    HB2  ARG  48           HB2      ARG  48   3.346  19.519   2.635
  404    HB3  ARG  48           HB1      ARG  48   1.663  19.091   2.365
  405    HG2  ARG  48           HG2      ARG  48   1.386  18.468   4.652
  406    HG3  ARG  48           HG1      ARG  48   3.113  18.661   4.960
  407    HD2  ARG  48           HD2      ARG  48   1.801  20.570   5.786
  408    HD3  ARG  48           HD1      ARG  48   2.954  21.041   4.538
  409    HE   ARG  48           HE       ARG  48   0.552  20.524   3.257
  410   HH11  ARG  48          HH11      ARG  48   1.774  22.745   5.647
  411   HH12  ARG  48          HH12      ARG  48   0.678  24.015   5.215
  412   HH21  ARG  48          HH21      ARG  48  -0.895  22.191   2.681
  413   HH22  ARG  48          HH22      ARG  48  -0.840  23.699   3.530
  414    H    ASP   1           HT1      ASP   1  -6.576 -16.215 -16.097
  415    HA   ASP   1           HA       ASP   1  -6.238 -15.924 -13.731
  416    HB2  ASP   1           HB2      ASP   1  -3.949 -14.917 -15.439
  417    HB3  ASP   1           HB1      ASP   1  -3.794 -15.556 -13.805
  418    H    GLU   2           HN       GLU   2  -7.301 -14.407 -12.548
  419    HA   GLU   2           HA       GLU   2  -5.890 -12.031 -11.863
  420    HB2  GLU   2           HB2      GLU   2  -7.550 -10.388 -12.560
  421    HB3  GLU   2           HB1      GLU   2  -6.918 -11.250 -13.956
  422    HG2  GLU   2           HG2      GLU   2  -8.919 -12.649 -14.000
  423    HG3  GLU   2           HG1      GLU   2  -9.553 -11.782 -12.602
  424    H    ASP   3           HN       ASP   3  -7.499 -14.513 -10.921
  425    HA   ASP   3           HA       ASP   3  -9.496 -13.351  -9.196
  426    HB2  ASP   3           HB2      ASP   3  -8.350 -16.152  -9.202
  427    HB3  ASP   3           HB1      ASP   3  -9.801 -15.625  -8.356
  428    H    THR   4           HN       THR   4  -8.649 -15.322  -6.991
  429    HA   THR   4           HA       THR   4  -7.156 -13.401  -5.502
  430    HB   THR   4           HB       THR   4  -7.277 -16.105  -4.391
  431    HG1  THR   4           HG1      THR   4  -9.691 -15.224  -3.971
  432   HG21  THR   4          HG21      THR   4  -8.061 -14.882  -2.416
  433   HG22  THR   4          HG22      THR   4  -8.160 -13.404  -3.379
  434   HG23  THR   4          HG23      THR   4  -6.593 -14.157  -3.076
  435    H    TYR   5           HN       TYR   5  -5.138 -13.473  -4.762
  436    HA   TYR   5           HA       TYR   5  -3.280 -15.324  -6.101
  437    HB2  TYR   5           HB2      TYR   5  -3.132 -12.361  -5.728
  438    HB3  TYR   5           HB1      TYR   5  -1.710 -13.343  -6.072
  439    HD1  TYR   5           HD1      TYR   5  -1.727 -14.767  -8.178
  440    HD2  TYR   5           HD2      TYR   5  -4.547 -11.666  -7.460
  441    HE1  TYR   5           HE1      TYR   5  -2.237 -14.684 -10.580
  442    HE2  TYR   5           HE2      TYR   5  -5.064 -11.571  -9.859
  443    HH   TYR   5           HH       TYR   5  -4.264 -12.203 -11.947
  444    H    TYR   6           HN       TYR   6  -1.166 -15.528  -4.838
  445    HA   TYR   6           HA       TYR   6  -1.580 -14.836  -2.015
  446    HB2  TYR   6           HB2      TYR   6   0.346 -16.953  -2.996
  447    HB3  TYR   6           HB1      TYR   6  -0.294 -16.740  -1.372
  448    HD1  TYR   6           HD2      TYR   6  -3.193 -16.391  -2.054
  449    HD2  TYR   6           HD1      TYR   6  -0.308 -19.171  -3.474
  450    HE1  TYR   6           HE2      TYR   6  -4.991 -17.991  -2.528
  451    HE2  TYR   6           HE1      TYR   6  -2.098 -20.786  -3.962
  452    HH   TYR   6           HH       TYR   6  -5.388 -19.937  -3.977
  453    H    LEU   7           HN       LEU   7  -0.307 -13.473  -1.075
  454    HA   LEU   7           HA       LEU   7   2.088 -12.506  -2.513
  455    HB2  LEU   7           HB2      LEU   7  -0.194 -11.213  -1.691
  456    HB3  LEU   7           HB1      LEU   7   0.895 -10.909  -0.365
  457    HG   LEU   7           HG       LEU   7   2.140  -9.437  -1.550
  458   HD11  LEU   7          HD11      LEU   7   1.776  -9.625  -4.255
  459   HD12  LEU   7          HD12      LEU   7   1.871 -11.310  -3.736
  460   HD13  LEU   7          HD13      LEU   7   3.178 -10.196  -3.350
  461   HD21  LEU   7          HD21      LEU   7   0.702  -8.012  -2.797
  462   HD22  LEU   7          HD22      LEU   7  -0.240  -8.763  -1.505
  463   HD23  LEU   7          HD23      LEU   7  -0.385  -9.354  -3.160
  464    H    GLN   8           HN       GLN   8   3.843 -13.561  -1.559
  465    HA   GLN   8           HA       GLN   8   3.808 -14.036   1.236
  466    HB2  GLN   8           HB2      GLN   8   5.118 -15.165  -0.855
  467    HB3  GLN   8           HB1      GLN   8   6.402 -14.226  -0.105
  468    HG2  GLN   8           HG2      GLN   8   5.568 -15.316   2.084
  469    HG3  GLN   8           HG1      GLN   8   4.828 -16.493   1.002
  470   HE21  GLN   8          HE21      GLN   8   7.129 -16.064  -0.916
  471   HE22  GLN   8          HE22      GLN   8   8.411 -17.006  -0.250
  472    H    VAL   9           HN       VAL   9   4.092 -12.570   2.684
  473    HA   VAL   9           HA       VAL   9   5.936 -10.394   2.069
  474    HB   VAL   9           HB       VAL   9   3.365 -10.326   3.639
  475   HG11  VAL   9          HG11      VAL   9   3.886  -7.949   4.146
  476   HG12  VAL   9          HG12      VAL   9   5.538  -8.248   3.601
  477   HG13  VAL   9          HG13      VAL   9   4.896  -9.116   4.997
  478   HG21  VAL   9          HG21      VAL   9   2.636  -8.743   2.054
  479   HG22  VAL   9          HG22      VAL   9   3.410 -10.034   1.133
  480   HG23  VAL   9          HG23      VAL   9   4.265  -8.518   1.420
  481    H    ARG  10           HN       ARG  10   7.630 -10.102   3.396
  482    HA   ARG  10           HA       ARG  10   7.760 -11.870   5.736
  483    HB2  ARG  10           HB2      ARG  10   9.532 -11.900   3.844
  484    HB3  ARG  10           HB1      ARG  10  10.104 -10.395   4.548
  485    HG2  ARG  10           HG2      ARG  10   9.774 -12.824   6.254
  486    HG3  ARG  10           HG1      ARG  10  11.203 -12.629   5.238
  487    HD2  ARG  10           HD2      ARG  10  11.633 -10.452   6.317
  488    HD3  ARG  10           HD1      ARG  10  10.245 -10.722   7.369
  489    HE   ARG  10           HE       ARG  10  12.022 -12.899   7.566
  490   HH11  ARG  10          HH11      ARG  10  11.733  -9.547   8.474
  491   HH12  ARG  10          HH12      ARG  10  12.749  -9.704   9.868
  492   HH21  ARG  10          HH21      ARG  10  13.361 -13.114   9.399
  493   HH22  ARG  10          HH22      ARG  10  13.675 -11.731  10.393
  494    H    GLY  11           HN       GLY  11   8.036 -11.138   7.739
  495    HA2  GLY  11           HA2      GLY  11   8.562  -9.534   9.403
  496    HA3  GLY  11           HA1      GLY  11   8.588  -8.289   8.162
  497    H    ARG  12           HN       ARG  12   6.992  -9.197  10.804
  498    HA   ARG  12           HA       ARG  12   4.289  -9.212  10.219
  499    HB2  ARG  12           HB2      ARG  12   5.548  -9.501  12.481
  500    HB3  ARG  12           HB1      ARG  12   5.315  -7.764  12.635
  501    HG2  ARG  12           HG2      ARG  12   3.531  -8.794  13.784
  502    HG3  ARG  12           HG1      ARG  12   2.862  -8.171  12.275
  503    HD2  ARG  12           HD2      ARG  12   3.092 -10.423  11.287
  504    HD3  ARG  12           HD1      ARG  12   3.659 -11.021  12.845
  505    HE   ARG  12           HE       ARG  12   1.000  -9.790  12.590
  506   HH11  ARG  12          HH11      ARG  12   3.031 -12.500  13.416
  507   HH12  ARG  12          HH12      ARG  12   1.744 -13.411  14.132
  508   HH21  ARG  12          HH21      ARG  12  -0.698 -10.982  13.535
  509   HH22  ARG  12          HH22      ARG  12  -0.375 -12.548  14.201
  510    H    GLU  13           HN       GLU  13   6.263  -6.283  10.862
  511    HA   GLU  13           HA       GLU  13   4.223  -4.447  10.766
  512    HB2  GLU  13           HB2      GLU  13   6.632  -4.014  11.327
  513    HB3  GLU  13           HB1      GLU  13   6.968  -3.996   9.600
  514    HG2  GLU  13           HG2      GLU  13   6.749  -1.751  10.238
  515    HG3  GLU  13           HG1      GLU  13   5.249  -2.170   9.411
  516    H    ASN  14           HN       ASN  14   6.091  -5.710   8.021
  517    HA   ASN  14           HA       ASN  14   4.825  -4.133   6.023
  518    HB2  ASN  14           HB2      ASN  14   6.177  -6.820   5.711
  519    HB3  ASN  14           HB1      ASN  14   5.887  -5.629   4.446
  520   HD21  ASN  14          HD21      ASN  14   8.396  -6.775   5.266
  521   HD22  ASN  14          HD22      ASN  14   9.397  -5.467   5.786
  522    H    PHE  15           HN       PHE  15   4.280  -7.422   7.229
  523    HA   PHE  15           HA       PHE  15   2.274  -8.198   5.467
  524    HB2  PHE  15           HB2      PHE  15   3.458  -9.678   7.086
  525    HB3  PHE  15           HB1      PHE  15   2.509  -8.962   8.383
  526    HD1  PHE  15           HD2      PHE  15   1.404  -9.967   4.966
  527    HD2  PHE  15           HD1      PHE  15   1.213 -10.717   9.160
  528    HE1  PHE  15           HE2      PHE  15  -0.355 -11.620   4.585
  529    HE2  PHE  15           HE1      PHE  15  -0.576 -12.371   8.771
  530    HZ   PHE  15           HZ       PHE  15  -1.359 -12.819   6.474
  531    H    GLU  16           HN       GLU  16   1.984  -6.546   8.606
  532    HA   GLU  16           HA       GLU  16  -0.847  -6.397   8.686
  533    HB2  GLU  16           HB2      GLU  16   1.249  -4.618   9.939
  534    HB3  GLU  16           HB1      GLU  16  -0.464  -4.582  10.331
  535    HG2  GLU  16           HG2      GLU  16   1.367  -6.940  10.713
  536    HG3  GLU  16           HG1      GLU  16   0.840  -5.830  11.978
  537    H    ILE  17           HN       ILE  17   1.535  -4.016   7.472
  538    HA   ILE  17           HA       ILE  17  -0.412  -2.070   6.844
  539    HB   ILE  17           HB       ILE  17   2.423  -2.484   6.195
  540   HG12  ILE  17          HG12      ILE  17   0.981   0.115   6.591
  541   HG13  ILE  17          HG11      ILE  17   1.250  -0.963   7.954
  542   HG21  ILE  17          HG21      ILE  17   0.703  -0.762   4.411
  543   HG22  ILE  17          HG22      ILE  17   1.534  -2.244   3.925
  544   HG23  ILE  17          HG23      ILE  17   2.467  -0.824   4.402
  545   HD11  ILE  17          HD11      ILE  17   2.933   0.839   7.702
  546   HD12  ILE  17          HD12      ILE  17   3.433   0.097   6.180
  547   HD13  ILE  17          HD13      ILE  17   3.616  -0.789   7.695
  548    H    LEU  18           HN       LEU  18   0.916  -4.791   4.966
  549    HA   LEU  18           HA       LEU  18  -0.483  -4.073   2.565
  550    HB2  LEU  18           HB2      LEU  18   1.104  -6.458   3.467
  551    HB3  LEU  18           HB1      LEU  18   0.251  -6.436   1.935
  552    HG   LEU  18           HG       LEU  18   2.081  -4.163   2.462
  553   HD11  LEU  18          HD11      LEU  18   4.062  -5.340   2.008
  554   HD12  LEU  18          HD12      LEU  18   3.188  -6.805   1.571
  555   HD13  LEU  18          HD13      LEU  18   3.245  -6.284   3.255
  556   HD21  LEU  18          HD21      LEU  18   1.484  -5.902   0.071
  557   HD22  LEU  18          HD22      LEU  18   2.546  -4.494   0.070
  558   HD23  LEU  18          HD23      LEU  18   0.824  -4.298   0.393
  559    H    MET  19           HN       MET  19  -1.027  -6.224   5.309
  560    HA   MET  19           HA       MET  19  -3.182  -7.658   4.162
  561    HB2  MET  19           HB2      MET  19  -1.750  -8.030   6.415
  562    HB3  MET  19           HB1      MET  19  -3.150  -7.239   7.116
  563    HG2  MET  19           HG2      MET  19  -3.092  -9.809   5.562
  564    HG3  MET  19           HG1      MET  19  -3.428  -9.592   7.274
  565    HE1  MET  19           HE1      MET  19  -6.733 -10.816   5.369
  566    HE2  MET  19           HE2      MET  19  -5.673 -11.215   6.720
  567    HE3  MET  19           HE3      MET  19  -5.038 -11.212   5.073
  568    H    LYS  20           HN       LYS  20  -3.125  -4.897   6.387
  569    HA   LYS  20           HA       LYS  20  -5.876  -4.402   6.529
  570    HB2  LYS  20           HB2      LYS  20  -3.832  -3.312   7.747
  571    HB3  LYS  20           HB1      LYS  20  -3.878  -2.182   6.402
  572    HG2  LYS  20           HG2      LYS  20  -6.305  -2.760   8.066
  573    HG3  LYS  20           HG1      LYS  20  -5.118  -1.540   8.529
  574    HD2  LYS  20           HD2      LYS  20  -5.459  -0.514   6.249
  575    HD3  LYS  20           HD1      LYS  20  -6.824  -1.615   6.047
  576    HE2  LYS  20           HE2      LYS  20  -6.520   0.387   8.282
  577    HE3  LYS  20           HE1      LYS  20  -7.503   0.622   6.838
  578    HZ1  LYS  20           HZ1      LYS  20  -7.893  -1.519   8.861
  579    HZ2  LYS  20           HZ2      LYS  20  -8.843  -1.282   7.481
  580    HZ3  LYS  20           HZ3      LYS  20  -8.835  -0.122   8.712
  581    H    LEU  21           HN       LEU  21  -3.415  -3.488   4.222
  582    HA   LEU  21           HA       LEU  21  -5.060  -1.832   2.618
  583    HB2  LEU  21           HB2      LEU  21  -2.461  -2.031   2.764
  584    HB3  LEU  21           HB1      LEU  21  -2.646  -3.364   1.652
  585    HG   LEU  21           HG       LEU  21  -3.122  -0.449   1.164
  586   HD11  LEU  21          HD11      LEU  21  -1.363  -2.583   0.008
  587   HD12  LEU  21          HD12      LEU  21  -0.894  -1.079   0.794
  588   HD13  LEU  21          HD13      LEU  21  -1.639  -1.045  -0.803
  589   HD21  LEU  21          HD21      LEU  21  -4.008  -2.742  -0.583
  590   HD22  LEU  21          HD22      LEU  21  -3.938  -1.051  -1.082
  591   HD23  LEU  21          HD23      LEU  21  -5.046  -1.548   0.195
  592    H    LYS  22           HN       LYS  22  -4.167  -5.230   2.446
  593    HA   LYS  22           HA       LYS  22  -5.224  -5.960   0.030
  594    HB2  LYS  22           HB2      LYS  22  -3.948  -7.457   1.463
  595    HB3  LYS  22           HB1      LYS  22  -5.225  -7.440   2.667
  596    HG2  LYS  22           HG2      LYS  22  -6.679  -8.679   1.264
  597    HG3  LYS  22           HG1      LYS  22  -5.594  -8.502  -0.117
  598    HD2  LYS  22           HD2      LYS  22  -4.674 -10.443   0.482
  599    HD3  LYS  22           HD1      LYS  22  -4.011  -9.603   1.882
  600    HE2  LYS  22           HE2      LYS  22  -6.156 -10.118   3.081
  601    HE3  LYS  22           HE1      LYS  22  -6.590 -11.143   1.713
  602    HZ1  LYS  22           HZ1      LYS  22  -5.609 -12.448   3.471
  603    HZ2  LYS  22           HZ2      LYS  22  -4.218 -11.487   3.464
  604    HZ3  LYS  22           HZ3      LYS  22  -4.586 -12.449   2.124
  605    H    GLU  23           HN       GLU  23  -6.833  -5.522   3.131
  606    HA   GLU  23           HA       GLU  23  -9.411  -6.333   2.253
  607    HB2  GLU  23           HB2      GLU  23  -8.544  -4.603   4.578
  608    HB3  GLU  23           HB1      GLU  23 -10.199  -5.134   4.311
  609    HG2  GLU  23           HG2      GLU  23  -9.553  -7.436   4.580
  610    HG3  GLU  23           HG1      GLU  23  -7.857  -6.982   4.697
  611    H    SER  24           HN       SER  24  -7.884  -3.111   2.539
  612    HA   SER  24           HA       SER  24 -10.139  -1.700   1.744
  613    HB2  SER  24           HB2      SER  24  -8.650   0.167   1.233
  614    HB3  SER  24           HB1      SER  24  -8.121  -0.632   2.709
  615    HG   SER  24           HG       SER  24  -6.446  -0.122   1.116
  616    H    LEU  25           HN       LEU  25  -7.518  -3.017  -0.285
  617    HA   LEU  25           HA       LEU  25  -8.500  -2.027  -2.757
  618    HB2  LEU  25           HB2      LEU  25  -6.548  -4.114  -1.920
  619    HB3  LEU  25           HB1      LEU  25  -7.124  -4.128  -3.575
  620    HG   LEU  25           HG       LEU  25  -5.839  -1.725  -2.277
  621   HD11  LEU  25          HD11      LEU  25  -3.854  -2.321  -3.617
  622   HD12  LEU  25          HD12      LEU  25  -4.628  -3.849  -4.039
  623   HD13  LEU  25          HD13      LEU  25  -4.214  -3.503  -2.360
  624   HD21  LEU  25          HD21      LEU  25  -6.331  -2.365  -5.181
  625   HD22  LEU  25          HD22      LEU  25  -5.658  -0.875  -4.520
  626   HD23  LEU  25          HD23      LEU  25  -7.342  -1.299  -4.205
  627    H    GLU  26           HN       GLU  26  -8.920  -5.152  -1.133
  628    HA   GLU  26           HA       GLU  26 -10.482  -6.306  -3.196
  629    HB2  GLU  26           HB2      GLU  26 -10.135  -6.979  -0.282
  630    HB3  GLU  26           HB1      GLU  26 -11.186  -7.908  -1.343
  631    HG2  GLU  26           HG2      GLU  26  -9.191  -8.254  -2.834
  632    HG3  GLU  26           HG1      GLU  26  -8.210  -7.558  -1.545
  633    H    LEU  27           HN       LEU  27 -11.325  -4.622  -0.200
  634    HA   LEU  27           HA       LEU  27 -14.145  -4.930  -0.401
  635    HB2  LEU  27           HB2      LEU  27 -12.338  -3.084   1.113
  636    HB3  LEU  27           HB1      LEU  27 -14.076  -2.845   1.117
  637    HG   LEU  27           HG       LEU  27 -12.796  -5.447   1.940
  638   HD11  LEU  27          HD11      LEU  27 -13.045  -4.752   4.238
  639   HD12  LEU  27          HD12      LEU  27 -13.671  -3.185   3.726
  640   HD13  LEU  27          HD13      LEU  27 -11.997  -3.622   3.382
  641   HD21  LEU  27          HD21      LEU  27 -15.137  -5.588   1.311
  642   HD22  LEU  27          HD22      LEU  27 -15.529  -4.262   2.407
  643   HD23  LEU  27          HD23      LEU  27 -14.954  -5.799   3.052
  644    H    MET  28           HN       MET  28 -11.949  -2.481  -1.762
  645    HA   MET  28           HA       MET  28 -13.898  -0.649  -2.334
  646    HB2  MET  28           HB2      MET  28 -11.422  -0.332  -2.723
  647    HB3  MET  28           HB1      MET  28 -11.595  -1.255  -4.211
  648    HG2  MET  28           HG2      MET  28 -13.431   0.514  -4.749
  649    HG3  MET  28           HG1      MET  28 -12.581   1.469  -3.546
  650    HE1  MET  28           HE1      MET  28  -9.576   1.343  -3.865
  651    HE2  MET  28           HE2      MET  28 -10.600   2.775  -3.895
  652    HE3  MET  28           HE3      MET  28  -9.373   2.539  -5.142
  653    H    GLU  29           HN       GLU  29 -13.770  -3.806  -3.564
  654    HA   GLU  29           HA       GLU  29 -15.176  -3.165  -6.031
  655    HB2  GLU  29           HB2      GLU  29 -14.762  -5.325  -6.690
  656    HB3  GLU  29           HB1      GLU  29 -13.384  -5.027  -5.641
  657    HG2  GLU  29           HG2      GLU  29 -14.611  -6.154  -3.802
  658    HG3  GLU  29           HG1      GLU  29 -15.886  -6.550  -4.952
  659    H    LEU  30           HN       LEU  30 -15.899  -4.078  -2.768
  660    HA   LEU  30           HA       LEU  30 -18.518  -5.125  -3.491
  661    HB2  LEU  30           HB2      LEU  30 -18.451  -6.274  -1.582
  662    HB3  LEU  30           HB1      LEU  30 -16.755  -5.853  -1.560
  663    HG   LEU  30           HG       LEU  30 -18.920  -4.346  -0.107
  664   HD11  LEU  30          HD11      LEU  30 -16.849  -6.260   0.953
  665   HD12  LEU  30          HD12      LEU  30 -18.566  -6.613   0.774
  666   HD13  LEU  30          HD13      LEU  30 -18.037  -5.369   1.908
  667   HD21  LEU  30          HD21      LEU  30 -16.988  -3.340   1.097
  668   HD22  LEU  30          HD22      LEU  30 -17.107  -2.871  -0.598
  669   HD23  LEU  30          HD23      LEU  30 -15.928  -4.083  -0.096
  670    H    VAL  31           HN       VAL  31 -17.312  -2.183  -3.261
  671    HA   VAL  31           HA       VAL  31 -19.621  -1.043  -1.854
  672    HB   VAL  31           HB       VAL  31 -17.642  -0.028  -1.051
  673   HG11  VAL  31          HG11      VAL  31 -15.954   0.995  -2.508
  674   HG12  VAL  31          HG12      VAL  31 -16.823   0.391  -3.920
  675   HG13  VAL  31          HG13      VAL  31 -16.102  -0.741  -2.776
  676   HG21  VAL  31          HG21      VAL  31 -19.154   1.653  -3.009
  677   HG22  VAL  31          HG22      VAL  31 -17.805   2.333  -2.109
  678   HG23  VAL  31          HG23      VAL  31 -19.194   1.676  -1.246
  679    HA   PRO  32           HA       PRO  32 -21.796  -0.608  -5.701
  680    HB2  PRO  32           HB2      PRO  32 -22.621   1.926  -4.315
  681    HB3  PRO  32           HB1      PRO  32 -23.612   0.780  -5.225
  682    HG2  PRO  32           HG2      PRO  32 -23.560   0.744  -2.550
  683    HG3  PRO  32           HG1      PRO  32 -23.673  -0.751  -3.494
  684    HD2  PRO  32           HD2      PRO  32 -21.405   0.318  -1.931
  685    HD3  PRO  32           HD1      PRO  32 -21.755  -1.355  -2.412
  686    H    GLN  33           HN       GLN  33 -21.003   0.156  -7.566
  687    HA   GLN  33           HA       GLN  33 -18.802   1.787  -7.823
  688    HB2  GLN  33           HB2      GLN  33 -19.693   0.283  -9.582
  689    HB3  GLN  33           HB1      GLN  33 -20.981   1.440  -9.885
  690    HG2  GLN  33           HG2      GLN  33 -19.260   1.701 -11.536
  691    HG3  GLN  33           HG1      GLN  33 -19.295   3.123 -10.495
  692   HE21  GLN  33          HE21      GLN  33 -17.605   3.481  -9.055
  693   HE22  GLN  33          HE22      GLN  33 -16.086   2.672  -9.203
  694    HA   PRO  34           HA       PRO  34 -21.861   5.511  -8.861
  695    HB2  PRO  34           HB2      PRO  34 -23.977   4.829  -6.889
  696    HB3  PRO  34           HB1      PRO  34 -24.123   5.555  -8.494
  697    HG2  PRO  34           HG2      PRO  34 -24.803   3.015  -8.090
  698    HG3  PRO  34           HG1      PRO  34 -23.972   3.509  -9.577
  699    HD2  PRO  34           HD2      PRO  34 -22.879   2.121  -7.163
  700    HD3  PRO  34           HD1      PRO  34 -22.515   1.853  -8.879
  701    H    LEU  35           HN       LEU  35 -21.562   4.016  -5.676
  702    HA   LEU  35           HA       LEU  35 -21.524   6.509  -4.255
  703    HB2  LEU  35           HB2      LEU  35 -22.394   4.443  -3.252
  704    HB3  LEU  35           HB1      LEU  35 -20.820   3.693  -3.410
  705    HG   LEU  35           HG       LEU  35 -19.892   5.229  -1.784
  706   HD11  LEU  35          HD11      LEU  35 -21.312   6.777  -0.539
  707   HD12  LEU  35          HD12      LEU  35 -22.663   6.385  -1.605
  708   HD13  LEU  35          HD13      LEU  35 -21.236   7.194  -2.251
  709   HD21  LEU  35          HD21      LEU  35 -22.441   3.942  -0.837
  710   HD22  LEU  35          HD22      LEU  35 -21.101   4.448   0.191
  711   HD23  LEU  35          HD23      LEU  35 -20.870   3.155  -0.986
  712    H    VAL  36           HN       VAL  36 -19.201   4.316  -5.655
  713    HA   VAL  36           HA       VAL  36 -16.892   5.490  -4.385
  714    HB   VAL  36           HB       VAL  36 -17.149   3.680  -6.801
  715   HG11  VAL  36          HG11      VAL  36 -14.653   4.729  -5.471
  716   HG12  VAL  36          HG12      VAL  36 -15.189   5.056  -7.119
  717   HG13  VAL  36          HG13      VAL  36 -14.690   3.428  -6.660
  718   HG21  VAL  36          HG21      VAL  36 -16.168   1.995  -5.332
  719   HG22  VAL  36          HG22      VAL  36 -17.662   2.639  -4.648
  720   HG23  VAL  36          HG23      VAL  36 -16.102   3.170  -4.018
  721    H    ASP  37           HN       ASP  37 -18.606   5.930  -7.438
  722    HA   ASP  37           HA       ASP  37 -16.789   7.685  -8.650
  723    HB2  ASP  37           HB2      ASP  37 -18.702   6.716  -9.855
  724    HB3  ASP  37           HB1      ASP  37 -19.813   7.644  -8.853
  725    H    SER  38           HN       SER  38 -19.504   8.279  -6.406
  726    HA   SER  38           HA       SER  38 -19.336  11.060  -6.359
  727    HB2  SER  38           HB2      SER  38 -21.197   9.803  -5.353
  728    HB3  SER  38           HB1      SER  38 -20.114   9.200  -4.098
  729    HG   SER  38           HG       SER  38 -20.977  11.857  -4.541
  730    H    TYR  39           HN       TYR  39 -17.638   8.654  -4.362
  731    HA   TYR  39           HA       TYR  39 -16.289  10.466  -2.700
  732    HB2  TYR  39           HB2      TYR  39 -16.176   8.288  -1.924
  733    HB3  TYR  39           HB1      TYR  39 -15.829   7.626  -3.519
  734    HD1  TYR  39           HD1      TYR  39 -14.350   9.518  -0.696
  735    HD2  TYR  39           HD2      TYR  39 -13.605   7.273  -4.230
  736    HE1  TYR  39           HE1      TYR  39 -11.956   9.470  -0.155
  737    HE2  TYR  39           HE2      TYR  39 -11.219   7.217  -3.703
  738    HH   TYR  39           HH       TYR  39  -9.587   8.522  -2.386
  739    H    ARG  40           HN       ARG  40 -15.312   8.963  -5.760
  740    HA   ARG  40           HA       ARG  40 -12.729   9.972  -5.927
  741    HB2  ARG  40           HB2      ARG  40 -14.749   9.189  -8.008
  742    HB3  ARG  40           HB1      ARG  40 -13.175   9.821  -8.473
  743    HG2  ARG  40           HG2      ARG  40 -12.079   8.011  -7.275
  744    HG3  ARG  40           HG1      ARG  40 -13.651   7.384  -6.772
  745    HD2  ARG  40           HD2      ARG  40 -14.258   7.020  -9.109
  746    HD3  ARG  40           HD1      ARG  40 -12.701   7.668  -9.621
  747    HE   ARG  40           HE       ARG  40 -12.273   5.532  -7.846
  748   HH11  ARG  40          HH11      ARG  40 -13.423   6.153 -11.076
  749   HH12  ARG  40          HH12      ARG  40 -12.941   4.605 -11.684
  750   HH21  ARG  40          HH21      ARG  40 -11.633   3.491  -8.639
  751   HH22  ARG  40          HH22      ARG  40 -11.923   3.092 -10.299
  752    H    GLN  41           HN       GLN  41 -15.798  11.473  -6.694
  753    HA   GLN  41           HA       GLN  41 -14.733  13.793  -7.963
  754    HB2  GLN  41           HB2      GLN  41 -17.097  13.016  -8.170
  755    HB3  GLN  41           HB1      GLN  41 -17.359  13.499  -6.499
  756    HG2  GLN  41           HG2      GLN  41 -18.185  15.257  -7.800
  757    HG3  GLN  41           HG1      GLN  41 -16.625  15.808  -7.193
  758   HE21  GLN  41          HE21      GLN  41 -18.400  14.743  -9.987
  759   HE22  GLN  41          HE22      GLN  41 -17.254  15.269 -11.167
  760    H    GLN  42           HN       GLN  42 -15.890  13.169  -4.657
  761    HA   GLN  42           HA       GLN  42 -15.335  15.712  -3.625
  762    HB2  GLN  42           HB2      GLN  42 -16.739  14.061  -2.468
  763    HB3  GLN  42           HB1      GLN  42 -15.327  13.051  -2.188
  764    HG2  GLN  42           HG2      GLN  42 -14.342  14.797  -0.803
  765    HG3  GLN  42           HG1      GLN  42 -15.743  15.826  -1.096
  766   HE21  GLN  42          HE21      GLN  42 -14.545  13.001   0.533
  767   HE22  GLN  42          HE22      GLN  42 -15.880  12.806   1.613
  768    H    GLN  43           HN       GLN  43 -13.270  12.972  -4.236
  769    HA   GLN  43           HA       GLN  43 -11.067  14.092  -2.716
  770    HB2  GLN  43           HB2      GLN  43 -11.429  11.642  -2.791
  771    HB3  GLN  43           HB1      GLN  43 -11.124  11.667  -4.523
  772    HG2  GLN  43           HG2      GLN  43  -9.166  10.925  -3.293
  773    HG3  GLN  43           HG1      GLN  43  -8.854  12.446  -4.128
  774   HE21  GLN  43          HE21      GLN  43  -7.188  13.047  -2.784
  775   HE22  GLN  43          HE22      GLN  43  -7.432  13.522  -1.141
  776    H    GLN  44           HN       GLN  44 -12.158  13.860  -6.022
  777    HA   GLN  44           HA       GLN  44  -9.744  14.576  -7.299
  778    HB2  GLN  44           HB2      GLN  44 -12.003  13.674  -8.287
  779    HB3  GLN  44           HB1      GLN  44 -12.410  15.379  -8.410
  780    HG2  GLN  44           HG2      GLN  44 -11.509  14.574 -10.497
  781    HG3  GLN  44           HG1      GLN  44 -10.410  15.749  -9.773
  782   HE21  GLN  44          HE21      GLN  44  -8.617  14.987 -10.870
  783   HE22  GLN  44          HE22      GLN  44  -7.880  13.466 -10.509
  784    H    LEU  45           HN       LEU  45 -12.088  16.341  -5.521
  785    HA   LEU  45           HA       LEU  45 -11.819  18.923  -6.505
  786    HB2  LEU  45           HB2      LEU  45 -13.460  18.762  -4.910
  787    HB3  LEU  45           HB1      LEU  45 -12.510  17.708  -3.882
  788    HG   LEU  45           HG       LEU  45 -11.085  19.878  -3.475
  789   HD11  LEU  45          HD11      LEU  45 -12.214  21.266  -5.112
  790   HD12  LEU  45          HD12      LEU  45 -12.467  21.902  -3.486
  791   HD13  LEU  45          HD13      LEU  45 -13.755  21.008  -4.295
  792   HD21  LEU  45          HD21      LEU  45 -12.665  20.466  -1.604
  793   HD22  LEU  45          HD22      LEU  45 -12.153  18.779  -1.680
  794   HD23  LEU  45          HD23      LEU  45 -13.757  19.242  -2.255
  795    H    LEU  46           HN       LEU  46  -9.933  17.310  -3.965
  796    HA   LEU  46           HA       LEU  46  -7.732  19.179  -4.502
  797    HB2  LEU  46           HB2      LEU  46  -8.688  19.993  -2.495
  798    HB3  LEU  46           HB1      LEU  46  -8.886  18.381  -1.843
  799    HG   LEU  46           HG       LEU  46  -6.433  18.183  -1.624
  800   HD11  LEU  46          HD11      LEU  46  -5.763  19.675  -3.409
  801   HD12  LEU  46          HD12      LEU  46  -5.049  20.184  -1.879
  802   HD13  LEU  46          HD13      LEU  46  -6.436  21.052  -2.537
  803   HD21  LEU  46          HD21      LEU  46  -6.190  19.769   0.234
  804   HD22  LEU  46          HD22      LEU  46  -7.746  18.940   0.272
  805   HD23  LEU  46          HD23      LEU  46  -7.648  20.606  -0.301
  806    H    GLN  47           HN       GLN  47  -6.439  17.783  -5.595
  807    HA   GLN  47           HA       GLN  47  -5.946  15.112  -4.555
  808    HB2  GLN  47           HB2      GLN  47  -6.001  16.199  -7.106
  809    HB3  GLN  47           HB1      GLN  47  -4.287  15.956  -6.799
  810    HG2  GLN  47           HG2      GLN  47  -5.044  13.992  -7.836
  811    HG3  GLN  47           HG1      GLN  47  -4.866  13.597  -6.126
  812   HE21  GLN  47          HE21      GLN  47  -6.727  13.336  -4.855
  813   HE22  GLN  47          HE22      GLN  47  -8.268  13.013  -5.565
  814    H    ARG  48           HN       ARG  48  -5.079  17.364  -2.967
  815    HA   ARG  48           HA       ARG  48  -2.218  16.730  -2.853
  816    HB2  ARG  48           HB2      ARG  48  -3.375  19.515  -2.640
  817    HB3  ARG  48           HB1      ARG  48  -1.691  19.089  -2.372
  818    HG2  ARG  48           HG2      ARG  48  -1.415  18.466  -4.659
  819    HG3  ARG  48           HG1      ARG  48  -3.142  18.656  -4.966
  820    HD2  ARG  48           HD2      ARG  48  -1.833  20.566  -5.793
  821    HD3  ARG  48           HD1      ARG  48  -2.986  21.036  -4.545
  822    HE   ARG  48           HE       ARG  48  -0.583  20.524  -3.264
  823   HH11  ARG  48          HH11      ARG  48  -1.809  22.744  -5.655
  824   HH12  ARG  48          HH12      ARG  48  -0.714  24.014  -5.222
  825   HH21  ARG  48          HH21      ARG  48   0.861  22.192  -2.688
  826   HH22  ARG  48          HH22      ARG  48   0.803  23.701  -3.537
  827    H    ASP   1           HT1      ASP   1   6.585  16.217 -16.088
  828    HA   ASP   1           HA       ASP   1   6.245  15.927 -13.723
  829    HB2  ASP   1           HB2      ASP   1   3.957  14.919 -15.432
  830    HB3  ASP   1           HB1      ASP   1   3.801  15.559 -13.799
  831    H    GLU   2           HN       GLU   2   7.308  14.410 -12.538
  832    HA   GLU   2           HA       GLU   2   5.896  12.033 -11.854
  833    HB2  GLU   2           HB2      GLU   2   7.557  10.390 -12.553
  834    HB3  GLU   2           HB1      GLU   2   6.925  11.253 -13.949
  835    HG2  GLU   2           HG2      GLU   2   8.927  12.652 -13.991
  836    HG3  GLU   2           HG1      GLU   2   9.560  11.785 -12.592
  837    H    ASP   3           HN       ASP   3   7.504  14.515 -10.911
  838    HA   ASP   3           HA       ASP   3   9.502  13.352  -9.187
  839    HB2  ASP   3           HB2      ASP   3   8.355  16.153  -9.192
  840    HB3  ASP   3           HB1      ASP   3   9.806  15.627  -8.346
  841    H    THR   4           HN       THR   4   8.653  15.322  -6.982
  842    HA   THR   4           HA       THR   4   7.159  13.399  -5.494
  843    HB   THR   4           HB       THR   4   7.278  16.103  -4.383
  844    HG1  THR   4           HG1      THR   4   9.693  15.224  -3.961
  845   HG21  THR   4          HG21      THR   4   8.062  14.880  -2.408
  846   HG22  THR   4          HG22      THR   4   8.162  13.402  -3.371
  847   HG23  THR   4          HG23      THR   4   6.595  14.155  -3.069
  848    H    TYR   5           HN       TYR   5   5.141  13.472  -4.754
  849    HA   TYR   5           HA       TYR   5   3.284  15.323  -6.095
  850    HB2  TYR   5           HB2      TYR   5   3.135  12.360  -5.721
  851    HB3  TYR   5           HB1      TYR   5   1.713  13.342  -6.065
  852    HD1  TYR   5           HD1      TYR   5   1.731  14.767  -8.172
  853    HD2  TYR   5           HD2      TYR   5   4.550  11.665  -7.453
  854    HE1  TYR   5           HE1      TYR   5   2.243  14.685 -10.573
  855    HE2  TYR   5           HE2      TYR   5   5.068  11.571  -9.852
  856    HH   TYR   5           HH       TYR   5   4.268  12.204 -11.940
  857    H    TYR   6           HN       TYR   6   1.169  15.526  -4.833
  858    HA   TYR   6           HA       TYR   6   1.582  14.836  -2.009
  859    HB2  TYR   6           HB2      TYR   6  -0.343  16.952  -2.992
  860    HB3  TYR   6           HB1      TYR   6   0.295  16.739  -1.367
  861    HD1  TYR   6           HD2      TYR   6   3.194  16.390  -2.047
  862    HD2  TYR   6           HD1      TYR   6   0.310  19.170  -3.469
  863    HE1  TYR   6           HE2      TYR   6   4.992  17.989  -2.519
  864    HE2  TYR   6           HE1      TYR   6   2.101  20.786  -3.954
  865    HH   TYR   6           HH       TYR   6   5.389  19.937  -3.967
  866    H    LEU   7           HN       LEU   7   0.308  13.471  -1.070
  867    HA   LEU   7           HA       LEU   7  -2.085  12.503  -2.511
  868    HB2  LEU   7           HB2      LEU   7   0.197  11.211  -1.686
  869    HB3  LEU   7           HB1      LEU   7  -0.893  10.907  -0.361
  870    HG   LEU   7           HG       LEU   7  -2.138   9.435  -1.546
  871   HD11  LEU   7          HD11      LEU   7  -1.772   9.623  -4.250
  872   HD12  LEU   7          HD12      LEU   7  -1.865  11.308  -3.732
  873   HD13  LEU   7          HD13      LEU   7  -3.174  10.197  -3.347
  874   HD21  LEU   7          HD21      LEU   7  -0.698   8.010  -2.792
  875   HD22  LEU   7          HD22      LEU   7   0.243   8.762  -1.499
  876   HD23  LEU   7          HD23      LEU   7   0.388   9.352  -3.155
  877    H    GLN   8           HN       GLN   8  -3.841  13.558  -1.558
  878    HA   GLN   8           HA       GLN   8  -3.808  14.033   1.237
  879    HB2  GLN   8           HB2      GLN   8  -5.117  15.163  -0.854
  880    HB3  GLN   8           HB1      GLN   8  -6.402  14.224  -0.105
  881    HG2  GLN   8           HG2      GLN   8  -5.568  15.313   2.084
  882    HG3  GLN   8           HG1      GLN   8  -4.828  16.490   1.004
  883   HE21  GLN   8          HE21      GLN   8  -7.127  16.064  -0.915
  884   HE22  GLN   8          HE22      GLN   8  -8.409  17.005  -0.249
  885    H    VAL   9           HN       VAL   9  -4.092  12.567   2.684
  886    HA   VAL   9           HA       VAL   9  -5.935  10.391   2.070
  887    HB   VAL   9           HB       VAL   9  -3.366  10.324   3.641
  888   HG11  VAL   9          HG11      VAL   9  -3.887   7.947   4.149
  889   HG12  VAL   9          HG12      VAL   9  -5.538   8.246   3.603
  890   HG13  VAL   9          HG13      VAL   9  -4.898   9.115   4.998
  891   HG21  VAL   9          HG21      VAL   9  -2.636   8.741   2.056
  892   HG22  VAL   9          HG22      VAL   9  -3.408  10.032   1.136
  893   HG23  VAL   9          HG23      VAL   9  -4.264   8.516   1.421
  894    H    ARG  10           HN       ARG  10  -7.630  10.099   3.397
  895    HA   ARG  10           HA       ARG  10  -7.760  11.868   5.737
  896    HB2  ARG  10           HB2      ARG  10  -9.532  11.895   3.843
  897    HB3  ARG  10           HB1      ARG  10 -10.104  10.390   4.548
  898    HG2  ARG  10           HG2      ARG  10  -9.777  12.821   6.253
  899    HG3  ARG  10           HG1      ARG  10 -11.205  12.624   5.236
  900    HD2  ARG  10           HD2      ARG  10 -11.635  10.448   6.316
  901    HD3  ARG  10           HD1      ARG  10 -10.247  10.718   7.369
  902    HE   ARG  10           HE       ARG  10 -12.025  12.895   7.565
  903   HH11  ARG  10          HH11      ARG  10 -11.736   9.542   8.472
  904   HH12  ARG  10          HH12      ARG  10 -12.751   9.699   9.867
  905   HH21  ARG  10          HH21      ARG  10 -13.364  13.108   9.398
  906   HH22  ARG  10          HH22      ARG  10 -13.678  11.725  10.391
  907    H    GLY  11           HN       GLY  11  -8.039  11.136   7.741
  908    HA2  GLY  11           HA2      GLY  11  -8.564   9.531   9.405
  909    HA3  GLY  11           HA1      GLY  11  -8.591   8.286   8.164
  910    H    ARG  12           HN       ARG  12  -6.995   9.193  10.805
  911    HA   ARG  12           HA       ARG  12  -4.292   9.208  10.222
  912    HB2  ARG  12           HB2      ARG  12  -5.554   9.494  12.483
  913    HB3  ARG  12           HB1      ARG  12  -5.318   7.759  12.637
  914    HG2  ARG  12           HG2      ARG  12  -3.536   8.790  13.786
  915    HG3  ARG  12           HG1      ARG  12  -2.866   8.168  12.276
  916    HD2  ARG  12           HD2      ARG  12  -3.097  10.419  11.288
  917    HD3  ARG  12           HD1      ARG  12  -3.665  11.018  12.846
  918    HE   ARG  12           HE       ARG  12  -1.005   9.787  12.593
  919   HH11  ARG  12          HH11      ARG  12  -3.037  12.497  13.418
  920   HH12  ARG  12          HH12      ARG  12  -1.750  13.406  14.138
  921   HH21  ARG  12          HH21      ARG  12   0.691  10.975  13.540
  922   HH22  ARG  12          HH22      ARG  12   0.368  12.540  14.208
  923    H    GLU  13           HN       GLU  13  -6.266   6.278  10.862
  924    HA   GLU  13           HA       GLU  13  -4.226   4.442  10.767
  925    HB2  GLU  13           HB2      GLU  13  -6.635   4.009  11.327
  926    HB3  GLU  13           HB1      GLU  13  -6.970   3.992   9.600
  927    HG2  GLU  13           HG2      GLU  13  -6.751   1.746  10.236
  928    HG3  GLU  13           HG1      GLU  13  -5.251   2.167   9.410
  929    H    ASN  14           HN       ASN  14  -6.093   5.707   8.022
  930    HA   ASN  14           HA       ASN  14  -4.824   4.130   6.025
  931    HB2  ASN  14           HB2      ASN  14  -6.179   6.816   5.711
  932    HB3  ASN  14           HB1      ASN  14  -5.888   5.625   4.446
  933   HD21  ASN  14          HD21      ASN  14  -8.396   6.771   5.265
  934   HD22  ASN  14          HD22      ASN  14  -9.397   5.463   5.785
  935    H    PHE  15           HN       PHE  15  -4.283   7.420   7.232
  936    HA   PHE  15           HA       PHE  15  -2.276   8.196   5.471
  937    HB2  PHE  15           HB2      PHE  15  -3.461   9.675   7.089
  938    HB3  PHE  15           HB1      PHE  15  -2.511   8.960   8.386
  939    HD1  PHE  15           HD2      PHE  15  -1.405   9.965   4.969
  940    HD2  PHE  15           HD1      PHE  15  -1.217  10.715   9.164
  941    HE1  PHE  15           HE2      PHE  15   0.354  11.618   4.589
  942    HE2  PHE  15           HE1      PHE  15   0.573  12.369   8.775
  943    HZ   PHE  15           HZ       PHE  15   1.357  12.816   6.479
  944    H    GLU  16           HN       GLU  16  -1.985   6.544   8.609
  945    HA   GLU  16           HA       GLU  16   0.844   6.394   8.689
  946    HB2  GLU  16           HB2      GLU  16  -1.251   4.613   9.942
  947    HB3  GLU  16           HB1      GLU  16   0.463   4.578  10.334
  948    HG2  GLU  16           HG2      GLU  16  -1.370   6.935  10.717
  949    HG3  GLU  16           HG1      GLU  16  -0.843   5.825  11.981
  950    H    ILE  17           HN       ILE  17  -1.536   4.012   7.474
  951    HA   ILE  17           HA       ILE  17   0.412   2.068   6.846
  952    HB   ILE  17           HB       ILE  17  -2.424   2.481   6.195
  953   HG12  ILE  17          HG12      ILE  17  -0.980  -0.118   6.593
  954   HG13  ILE  17          HG11      ILE  17  -1.250   0.961   7.955
  955   HG21  ILE  17          HG21      ILE  17  -0.702   0.760   4.412
  956   HG22  ILE  17          HG22      ILE  17  -1.532   2.242   3.926
  957   HG23  ILE  17          HG23      ILE  17  -2.466   0.822   4.401
  958   HD11  ILE  17          HD11      ILE  17  -2.932  -0.843   7.703
  959   HD12  ILE  17          HD12      ILE  17  -3.433  -0.101   6.181
  960   HD13  ILE  17          HD13      ILE  17  -3.616   0.785   7.697
  961    H    LEU  18           HN       LEU  18  -0.915   4.789   4.969
  962    HA   LEU  18           HA       LEU  18   0.484   4.071   2.569
  963    HB2  LEU  18           HB2      LEU  18  -1.103   6.456   3.470
  964    HB3  LEU  18           HB1      LEU  18  -0.249   6.433   1.939
  965    HG   LEU  18           HG       LEU  18  -2.080   4.161   2.464
  966   HD11  LEU  18          HD11      LEU  18  -4.060   5.337   2.009
  967   HD12  LEU  18          HD12      LEU  18  -3.187   6.803   1.573
  968   HD13  LEU  18          HD13      LEU  18  -3.245   6.281   3.256
  969   HD21  LEU  18          HD21      LEU  18  -1.481   5.901   0.075
  970   HD22  LEU  18          HD22      LEU  18  -2.544   4.493   0.072
  971   HD23  LEU  18          HD23      LEU  18  -0.822   4.297   0.396
  972    H    MET  19           HN       MET  19   1.027   6.222   5.312
  973    HA   MET  19           HA       MET  19   3.183   7.656   4.167
  974    HB2  MET  19           HB2      MET  19   1.748   8.028   6.418
  975    HB3  MET  19           HB1      MET  19   3.147   7.237   7.121
  976    HG2  MET  19           HG2      MET  19   3.090   9.807   5.568
  977    HG3  MET  19           HG1      MET  19   3.427   9.589   7.280
  978    HE1  MET  19           HE1      MET  19   6.732  10.814   5.375
  979    HE2  MET  19           HE2      MET  19   5.670  11.213   6.726
  980    HE3  MET  19           HE3      MET  19   5.037  11.209   5.078
  981    H    LYS  20           HN       LYS  20   3.124   4.895   6.391
  982    HA   LYS  20           HA       LYS  20   5.875   4.399   6.535
  983    HB2  LYS  20           HB2      LYS  20   3.830   3.308   7.751
  984    HB3  LYS  20           HB1      LYS  20   3.877   2.178   6.406
  985    HG2  LYS  20           HG2      LYS  20   6.303   2.757   8.072
  986    HG3  LYS  20           HG1      LYS  20   5.116   1.536   8.533
  987    HD2  LYS  20           HD2      LYS  20   5.459   0.511   6.253
  988    HD3  LYS  20           HD1      LYS  20   6.823   1.612   6.053
  989    HE2  LYS  20           HE2      LYS  20   6.520  -0.390   8.287
  990    HE3  LYS  20           HE1      LYS  20   7.503  -0.625   6.844
  991    HZ1  LYS  20           HZ1      LYS  20   7.891   1.516   8.866
  992    HZ2  LYS  20           HZ2      LYS  20   8.841   1.280   7.487
  993    HZ3  LYS  20           HZ3      LYS  20   8.834   0.119   8.718
  994    H    LEU  21           HN       LEU  21   3.416   3.486   4.226
  995    HA   LEU  21           HA       LEU  21   5.061   1.830   2.623
  996    HB2  LEU  21           HB2      LEU  21   2.462   2.030   2.767
  997    HB3  LEU  21           HB1      LEU  21   2.648   3.362   1.656
  998    HG   LEU  21           HG       LEU  21   3.123   0.447   1.167
  999   HD11  LEU  21          HD11      LEU  21   1.366   2.582   0.011
 1000   HD12  LEU  21          HD12      LEU  21   0.896   1.077   0.797
 1001   HD13  LEU  21          HD13      LEU  21   1.642   1.043  -0.801
 1002   HD21  LEU  21          HD21      LEU  21   4.010   2.740  -0.578
 1003   HD22  LEU  21          HD22      LEU  21   3.941   1.050  -1.078
 1004   HD23  LEU  21          HD23      LEU  21   5.048   1.546   0.200
 1005    H    LYS  22           HN       LYS  22   4.168   5.229   2.452
 1006    HA   LYS  22           HA       LYS  22   5.226   5.959   0.036
 1007    HB2  LYS  22           HB2      LYS  22   3.950   7.456   1.469
 1008    HB3  LYS  22           HB1      LYS  22   5.227   7.437   2.673
 1009    HG2  LYS  22           HG2      LYS  22   6.680   8.679   1.273
 1010    HG3  LYS  22           HG1      LYS  22   5.597   8.501  -0.110
 1011    HD2  LYS  22           HD2      LYS  22   4.676  10.443   0.488
 1012    HD3  LYS  22           HD1      LYS  22   4.011   9.602   1.887
 1013    HE2  LYS  22           HE2      LYS  22   6.154  10.116   3.089
 1014    HE3  LYS  22           HE1      LYS  22   6.592  11.140   1.723
 1015    HZ1  LYS  22           HZ1      LYS  22   5.611  12.446   3.479
 1016    HZ2  LYS  22           HZ2      LYS  22   4.219  11.486   3.473
 1017    HZ3  LYS  22           HZ3      LYS  22   4.587  12.447   2.132
 1018    H    GLU  23           HN       GLU  23   6.834   5.522   3.138
 1019    HA   GLU  23           HA       GLU  23   9.412   6.332   2.261
 1020    HB2  GLU  23           HB2      GLU  23   8.545   4.601   4.584
 1021    HB3  GLU  23           HB1      GLU  23  10.199   5.133   4.319
 1022    HG2  GLU  23           HG2      GLU  23   9.552   7.435   4.587
 1023    HG3  GLU  23           HG1      GLU  23   7.857   6.978   4.705
 1024    H    SER  24           HN       SER  24   7.884   3.111   2.545
 1025    HA   SER  24           HA       SER  24  10.139   1.699   1.750
 1026    HB2  SER  24           HB2      SER  24   8.651  -0.168   1.238
 1027    HB3  SER  24           HB1      SER  24   8.118   0.632   2.712
 1028    HG   SER  24           HG       SER  24   6.446   0.121   1.119
 1029    H    LEU  25           HN       LEU  25   7.520   3.017  -0.279
 1030    HA   LEU  25           HA       LEU  25   8.504   2.027  -2.751
 1031    HB2  LEU  25           HB2      LEU  25   6.550   4.114  -1.915
 1032    HB3  LEU  25           HB1      LEU  25   7.127   4.128  -3.570
 1033    HG   LEU  25           HG       LEU  25   5.842   1.725  -2.273
 1034   HD11  LEU  25          HD11      LEU  25   3.857   2.321  -3.614
 1035   HD12  LEU  25          HD12      LEU  25   4.631   3.849  -4.034
 1036   HD13  LEU  25          HD13      LEU  25   4.217   3.502  -2.355
 1037   HD21  LEU  25          HD21      LEU  25   6.336   2.365  -5.177
 1038   HD22  LEU  25          HD22      LEU  25   5.663   0.875  -4.515
 1039   HD23  LEU  25          HD23      LEU  25   7.346   1.299  -4.199
 1040    H    GLU  26           HN       GLU  26   8.922   5.152  -1.127
 1041    HA   GLU  26           HA       GLU  26  10.486   6.307  -3.189
 1042    HB2  GLU  26           HB2      GLU  26  10.137   6.978  -0.275
 1043    HB3  GLU  26           HB1      GLU  26  11.189   7.908  -1.334
 1044    HG2  GLU  26           HG2      GLU  26   9.193   8.254  -2.826
 1045    HG3  GLU  26           HG1      GLU  26   8.212   7.557  -1.537
 1046    H    LEU  27           HN       LEU  27  11.326   4.623  -0.194
 1047    HA   LEU  27           HA       LEU  27  14.146   4.930  -0.392
 1048    HB2  LEU  27           HB2      LEU  27  12.339   3.085   1.121
 1049    HB3  LEU  27           HB1      LEU  27  14.076   2.845   1.125
 1050    HG   LEU  27           HG       LEU  27  12.797   5.447   1.949
 1051   HD11  LEU  27          HD11      LEU  27  13.046   4.750   4.247
 1052   HD12  LEU  27          HD12      LEU  27  13.672   3.184   3.734
 1053   HD13  LEU  27          HD13      LEU  27  11.998   3.620   3.391
 1054   HD21  LEU  27          HD21      LEU  27  15.138   5.588   1.321
 1055   HD22  LEU  27          HD22      LEU  27  15.529   4.262   2.416
 1056   HD23  LEU  27          HD23      LEU  27  14.954   5.799   3.062
 1057    H    MET  28           HN       MET  28  11.951   2.481  -1.756
 1058    HA   MET  28           HA       MET  28  13.901   0.650  -2.326
 1059    HB2  MET  28           HB2      MET  28  11.425   0.332  -2.716
 1060    HB3  MET  28           HB1      MET  28  11.599   1.256  -4.203
 1061    HG2  MET  28           HG2      MET  28  13.436  -0.511  -4.741
 1062    HG3  MET  28           HG1      MET  28  12.586  -1.468  -3.538
 1063    HE1  MET  28           HE1      MET  28   9.581  -1.342  -3.860
 1064    HE2  MET  28           HE2      MET  28  10.605  -2.774  -3.889
 1065    HE3  MET  28           HE3      MET  28   9.379  -2.538  -5.137
 1066    H    GLU  29           HN       GLU  29  13.774   3.808  -3.555
 1067    HA   GLU  29           HA       GLU  29  15.181   3.167  -6.021
 1068    HB2  GLU  29           HB2      GLU  29  14.766   5.327  -6.681
 1069    HB3  GLU  29           HB1      GLU  29  13.388   5.028  -5.632
 1070    HG2  GLU  29           HG2      GLU  29  14.614   6.156  -3.792
 1071    HG3  GLU  29           HG1      GLU  29  15.890   6.551  -4.941
 1072    H    LEU  30           HN       LEU  30  15.901   4.081  -2.760
 1073    HA   LEU  30           HA       LEU  30  18.522   5.126  -3.479
 1074    HB2  LEU  30           HB2      LEU  30  18.454   6.275  -1.571
 1075    HB3  LEU  30           HB1      LEU  30  16.757   5.855  -1.549
 1076    HG   LEU  30           HG       LEU  30  18.922   4.347  -0.095
 1077   HD11  LEU  30          HD11      LEU  30  16.849   6.261   0.964
 1078   HD12  LEU  30          HD12      LEU  30  18.567   6.614   0.786
 1079   HD13  LEU  30          HD13      LEU  30  18.036   5.370   1.919
 1080   HD21  LEU  30          HD21      LEU  30  16.988   3.341   1.106
 1081   HD22  LEU  30          HD22      LEU  30  17.109   2.873  -0.588
 1082   HD23  LEU  30          HD23      LEU  30  15.930   4.084  -0.088
 1083    H    VAL  31           HN       VAL  31  17.314   2.183  -3.250
 1084    HA   VAL  31           HA       VAL  31  19.624   1.044  -1.842
 1085    HB   VAL  31           HB       VAL  31  17.644   0.029  -1.041
 1086   HG11  VAL  31          HG11      VAL  31  15.957  -0.993  -2.501
 1087   HG12  VAL  31          HG12      VAL  31  16.828  -0.388  -3.911
 1088   HG13  VAL  31          HG13      VAL  31  16.106   0.744  -2.768
 1089   HG21  VAL  31          HG21      VAL  31  19.157  -1.652  -2.999
 1090   HG22  VAL  31          HG22      VAL  31  17.809  -2.332  -2.098
 1091   HG23  VAL  31          HG23      VAL  31  19.198  -1.674  -1.237
 1092    HA   PRO  32           HA       PRO  32  21.802   0.610  -5.690
 1093    HB2  PRO  32           HB2      PRO  32  22.624  -1.925  -4.303
 1094    HB3  PRO  32           HB1      PRO  32  23.617  -0.779  -5.213
 1095    HG2  PRO  32           HG2      PRO  32  23.565  -0.743  -2.538
 1096    HG3  PRO  32           HG1      PRO  32  23.678   0.753  -3.482
 1097    HD2  PRO  32           HD2      PRO  32  21.409  -0.317  -1.921
 1098    HD3  PRO  32           HD1      PRO  32  21.760   1.356  -2.400
 1099    H    GLN  33           HN       GLN  33  21.010  -0.153  -7.554
 1100    HA   GLN  33           HA       GLN  33  18.810  -1.784  -7.813
 1101    HB2  GLN  33           HB2      GLN  33  19.701  -0.280  -9.571
 1102    HB3  GLN  33           HB1      GLN  33  20.989  -1.436  -9.875
 1103    HG2  GLN  33           HG2      GLN  33  19.268  -1.696 -11.525
 1104    HG3  GLN  33           HG1      GLN  33  19.303  -3.120 -10.486
 1105   HE21  GLN  33          HE21      GLN  33  17.611  -3.478  -9.046
 1106   HE22  GLN  33          HE22      GLN  33  16.092  -2.668  -9.195
 1107    HA   PRO  34           HA       PRO  34  21.868  -5.507  -8.851
 1108    HB2  PRO  34           HB2      PRO  34  23.983  -4.826  -6.877
 1109    HB3  PRO  34           HB1      PRO  34  24.130  -5.552  -8.481
 1110    HG2  PRO  34           HG2      PRO  34  24.811  -3.013  -8.078
 1111    HG3  PRO  34           HG1      PRO  34  23.979  -3.506  -9.566
 1112    HD2  PRO  34           HD2      PRO  34  22.886  -2.119  -7.150
 1113    HD3  PRO  34           HD1      PRO  34  22.523  -1.849  -8.867
 1114    H    LEU  35           HN       LEU  35  21.569  -4.013  -5.664
 1115    HA   LEU  35           HA       LEU  35  21.530  -6.506  -4.245
 1116    HB2  LEU  35           HB2      LEU  35  22.398  -4.441  -3.241
 1117    HB3  LEU  35           HB1      LEU  35  20.823  -3.691  -3.401
 1118    HG   LEU  35           HG       LEU  35  19.895  -5.227  -1.774
 1119   HD11  LEU  35          HD11      LEU  35  21.314  -6.774  -0.529
 1120   HD12  LEU  35          HD12      LEU  35  22.666  -6.382  -1.593
 1121   HD13  LEU  35          HD13      LEU  35  21.239  -7.192  -2.241
 1122   HD21  LEU  35          HD21      LEU  35  22.443  -3.939  -0.826
 1123   HD22  LEU  35          HD22      LEU  35  21.103  -4.446   0.202
 1124   HD23  LEU  35          HD23      LEU  35  20.872  -3.152  -0.975
 1125    H    VAL  36           HN       VAL  36  19.207  -4.314  -5.645
 1126    HA   VAL  36           HA       VAL  36  16.897  -5.488  -4.376
 1127    HB   VAL  36           HB       VAL  36  17.156  -3.677  -6.792
 1128   HG11  VAL  36          HG11      VAL  36  14.657  -4.727  -5.464
 1129   HG12  VAL  36          HG12      VAL  36  15.195  -5.053  -7.112
 1130   HG13  VAL  36          HG13      VAL  36  14.697  -3.424  -6.653
 1131   HG21  VAL  36          HG21      VAL  36  16.175  -1.994  -5.323
 1132   HG22  VAL  36          HG22      VAL  36  17.668  -2.638  -4.639
 1133   HG23  VAL  36          HG23      VAL  36  16.108  -3.169  -4.009
 1134    H    ASP  37           HN       ASP  37  18.613  -5.927  -7.429
 1135    HA   ASP  37           HA       ASP  37  16.796  -7.683  -8.642
 1136    HB2  ASP  37           HB2      ASP  37  18.711  -6.713  -9.846
 1137    HB3  ASP  37           HB1      ASP  37  19.821  -7.642  -8.844
 1138    H    SER  38           HN       SER  38  19.511  -8.276  -6.399
 1139    HA   SER  38           HA       SER  38  19.342 -11.058  -6.352
 1140    HB2  SER  38           HB2      SER  38  21.203  -9.800  -5.344
 1141    HB3  SER  38           HB1      SER  38  20.119  -9.198  -4.090
 1142    HG   SER  38           HG       SER  38  20.983 -11.855  -4.533
 1143    H    TYR  39           HN       TYR  39  17.644  -8.652  -4.354
 1144    HA   TYR  39           HA       TYR  39  16.295 -10.464  -2.694
 1145    HB2  TYR  39           HB2      TYR  39  16.181  -8.286  -1.917
 1146    HB3  TYR  39           HB1      TYR  39  15.834  -7.624  -3.512
 1147    HD1  TYR  39           HD1      TYR  39  14.355  -9.517  -0.689
 1148    HD2  TYR  39           HD2      TYR  39  13.610  -7.272  -4.224
 1149    HE1  TYR  39           HE1      TYR  39  11.961  -9.471  -0.150
 1150    HE2  TYR  39           HE2      TYR  39  11.224  -7.218  -3.698
 1151    HH   TYR  39           HH       TYR  39   9.592  -8.522  -2.383
 1152    H    ARG  40           HN       ARG  40  15.319  -8.960  -5.754
 1153    HA   ARG  40           HA       ARG  40  12.736  -9.970  -5.922
 1154    HB2  ARG  40           HB2      ARG  40  14.756  -9.185  -8.003
 1155    HB3  ARG  40           HB1      ARG  40  13.182  -9.818  -8.468
 1156    HG2  ARG  40           HG2      ARG  40  12.086  -8.008  -7.269
 1157    HG3  ARG  40           HG1      ARG  40  13.658  -7.382  -6.766
 1158    HD2  ARG  40           HD2      ARG  40  14.265  -7.017  -9.102
 1159    HD3  ARG  40           HD1      ARG  40  12.708  -7.665  -9.614
 1160    HE   ARG  40           HE       ARG  40  12.280  -5.528  -7.840
 1161   HH11  ARG  40          HH11      ARG  40  13.432  -6.150 -11.069
 1162   HH12  ARG  40          HH12      ARG  40  12.950  -4.602 -11.678
 1163   HH21  ARG  40          HH21      ARG  40  11.641  -3.487  -8.633
 1164   HH22  ARG  40          HH22      ARG  40  11.931  -3.089 -10.294
 1165    H    GLN  41           HN       GLN  41  15.807 -11.471  -6.690
 1166    HA   GLN  41           HA       GLN  41  14.741 -13.791  -7.958
 1167    HB2  GLN  41           HB2      GLN  41  17.105 -13.014  -8.164
 1168    HB3  GLN  41           HB1      GLN  41  17.367 -13.497  -6.494
 1169    HG2  GLN  41           HG2      GLN  41  18.194 -15.255  -7.795
 1170    HG3  GLN  41           HG1      GLN  41  16.634 -15.807  -7.188
 1171   HE21  GLN  41          HE21      GLN  41  18.410 -14.739  -9.982
 1172   HE22  GLN  41          HE22      GLN  41  17.263 -15.267 -11.162
 1173    H    GLN  42           HN       GLN  42  15.897 -13.167  -4.651
 1174    HA   GLN  42           HA       GLN  42  15.341 -15.711  -3.620
 1175    HB2  GLN  42           HB2      GLN  42  16.744 -14.060  -2.462
 1176    HB3  GLN  42           HB1      GLN  42  15.332 -13.051  -2.182
 1177    HG2  GLN  42           HG2      GLN  42  14.348 -14.797  -0.797
 1178    HG3  GLN  42           HG1      GLN  42  15.750 -15.825  -1.090
 1179   HE21  GLN  42          HE21      GLN  42  14.550 -13.000   0.539
 1180   HE22  GLN  42          HE22      GLN  42  15.885 -12.805   1.618
 1181    H    GLN  43           HN       GLN  43  13.275 -12.972  -4.233
 1182    HA   GLN  43           HA       GLN  43  11.071 -14.092  -2.713
 1183    HB2  GLN  43           HB2      GLN  43  11.434 -11.643  -2.786
 1184    HB3  GLN  43           HB1      GLN  43  11.132 -11.666  -4.518
 1185    HG2  GLN  43           HG2      GLN  43   9.172 -10.924  -3.290
 1186    HG3  GLN  43           HG1      GLN  43   8.860 -12.445  -4.126
 1187   HE21  GLN  43          HE21      GLN  43   7.193 -13.047  -2.782
 1188   HE22  GLN  43          HE22      GLN  43   7.437 -13.523  -1.140
 1189    H    GLN  44           HN       GLN  44  12.164 -13.857  -6.018
 1190    HA   GLN  44           HA       GLN  44   9.752 -14.575  -7.297
 1191    HB2  GLN  44           HB2      GLN  44  12.010 -13.671  -8.282
 1192    HB3  GLN  44           HB1      GLN  44  12.419 -15.376  -8.407
 1193    HG2  GLN  44           HG2      GLN  44  11.519 -14.571 -10.494
 1194    HG3  GLN  44           HG1      GLN  44  10.420 -15.745  -9.770
 1195   HE21  GLN  44          HE21      GLN  44   8.627 -14.984 -10.869
 1196   HE22  GLN  44          HE22      GLN  44   7.890 -13.464 -10.507
 1197    H    LEU  45           HN       LEU  45  12.095 -16.339  -5.517
 1198    HA   LEU  45           HA       LEU  45  11.827 -18.921  -6.502
 1199    HB2  LEU  45           HB2      LEU  45  13.467 -18.760  -4.907
 1200    HB3  LEU  45           HB1      LEU  45  12.516 -17.707  -3.879
 1201    HG   LEU  45           HG       LEU  45  11.092 -19.877  -3.474
 1202   HD11  LEU  45          HD11      LEU  45  12.221 -21.264  -5.110
 1203   HD12  LEU  45          HD12      LEU  45  12.474 -21.901  -3.485
 1204   HD13  LEU  45          HD13      LEU  45  13.763 -21.007  -4.293
 1205   HD21  LEU  45          HD21      LEU  45  12.672 -20.466  -1.602
 1206   HD22  LEU  45          HD22      LEU  45  12.159 -18.779  -1.677
 1207   HD23  LEU  45          HD23      LEU  45  13.764 -19.242  -2.252
 1208    H    LEU  46           HN       LEU  46   9.940 -17.310  -3.963
 1209    HA   LEU  46           HA       LEU  46   7.739 -19.178  -4.502
 1210    HB2  LEU  46           HB2      LEU  46   8.694 -19.994  -2.495
 1211    HB3  LEU  46           HB1      LEU  46   8.893 -18.381  -1.842
 1212    HG   LEU  46           HG       LEU  46   6.439 -18.184  -1.624
 1213   HD11  LEU  46          HD11      LEU  46   5.770 -19.676  -3.409
 1214   HD12  LEU  46          HD12      LEU  46   5.055 -20.185  -1.880
 1215   HD13  LEU  46          HD13      LEU  46   6.443 -21.052  -2.537
 1216   HD21  LEU  46          HD21      LEU  46   6.194 -19.770   0.235
 1217   HD22  LEU  46          HD22      LEU  46   7.751 -18.941   0.273
 1218   HD23  LEU  46          HD23      LEU  46   7.653 -20.606  -0.299
 1219    H    GLN  47           HN       GLN  47   6.444 -17.785  -5.593
 1220    HA   GLN  47           HA       GLN  47   5.954 -15.113  -4.554
 1221    HB2  GLN  47           HB2      GLN  47   6.009 -16.198  -7.106
 1222    HB3  GLN  47           HB1      GLN  47   4.295 -15.956  -6.800
 1223    HG2  GLN  47           HG2      GLN  47   5.052 -13.992  -7.836
 1224    HG3  GLN  47           HG1      GLN  47   4.873 -13.597  -6.126
 1225   HE21  GLN  47          HE21      GLN  47   6.733 -13.336  -4.854
 1226   HE22  GLN  47          HE22      GLN  47   8.275 -13.012  -5.564
 1227    H    ARG  48           HN       ARG  48   5.086 -17.363  -2.966
 1228    HA   ARG  48           HA       ARG  48   2.224 -16.730  -2.855
 1229    HB2  ARG  48           HB2      ARG  48   3.382 -19.515  -2.644
 1230    HB3  ARG  48           HB1      ARG  48   1.698 -19.090  -2.375
 1231    HG2  ARG  48           HG2      ARG  48   1.422 -18.466  -4.662
 1232    HG3  ARG  48           HG1      ARG  48   3.149 -18.657  -4.969
 1233    HD2  ARG  48           HD2      ARG  48   1.840 -20.568  -5.795
 1234    HD3  ARG  48           HD1      ARG  48   2.994 -21.036  -4.547
 1235    HE   ARG  48           HE       ARG  48   0.591 -20.525  -3.266
 1236   HH11  ARG  48          HH11      ARG  48   1.818 -22.743  -5.658
 1237   HH12  ARG  48          HH12      ARG  48   0.723 -24.014  -5.228
 1238   HH21  ARG  48          HH21      ARG  48  -0.855 -22.193  -2.694
 1239   HH22  ARG  48          HH22      ARG  48  -0.797 -23.701  -3.543
 1240    H    ASP   1           HT1      ASP   1  -6.617  16.215  16.085
 1241    HA   ASP   1           HA       ASP   1  -6.276  15.923  13.720
 1242    HB2  ASP   1           HB2      ASP   1  -3.987  14.921  15.431
 1243    HB3  ASP   1           HB1      ASP   1  -3.832  15.560  13.797
 1244    H    GLU   2           HN       GLU   2  -7.337  14.404  12.537
 1245    HA   GLU   2           HA       GLU   2  -5.920  12.031  11.854
 1246    HB2  GLU   2           HB2      GLU   2  -7.578  10.384  12.552
 1247    HB3  GLU   2           HB1      GLU   2  -6.949  11.248  13.948
 1248    HG2  GLU   2           HG2      GLU   2  -8.952  12.645  13.989
 1249    HG3  GLU   2           HG1      GLU   2  -9.584  11.776  12.591
 1250    H    ASP   3           HN       ASP   3  -7.532  14.509  10.910
 1251    HA   ASP   3           HA       ASP   3  -9.526  13.342   9.185
 1252    HB2  ASP   3           HB2      ASP   3  -8.385  16.144   9.189
 1253    HB3  ASP   3           HB1      ASP   3  -9.835  15.615   8.343
 1254    H    THR   4           HN       THR   4  -8.681  15.312   6.979
 1255    HA   THR   4           HA       THR   4  -7.184  13.391   5.493
 1256    HB   THR   4           HB       THR   4  -7.306  16.094   4.380
 1257    HG1  THR   4           HG1      THR   4  -9.720  15.210   3.959
 1258   HG21  THR   4          HG21      THR   4  -8.089  14.868   2.406
 1259   HG22  THR   4          HG22      THR   4  -8.185  13.391   3.370
 1260   HG23  THR   4          HG23      THR   4  -6.620  14.146   3.067
 1261    H    TYR   5           HN       TYR   5  -5.165  13.467   4.754
 1262    HA   TYR   5           HA       TYR   5  -3.310  15.321   6.094
 1263    HB2  TYR   5           HB2      TYR   5  -3.158  12.358   5.722
 1264    HB3  TYR   5           HB1      TYR   5  -1.738  13.341   6.066
 1265    HD1  TYR   5           HD1      TYR   5  -1.758  14.767   8.171
 1266    HD2  TYR   5           HD2      TYR   5  -4.572  11.661   7.453
 1267    HE1  TYR   5           HE1      TYR   5  -2.271  14.685  10.573
 1268    HE2  TYR   5           HE2      TYR   5  -5.091  11.567   9.853
 1269    HH   TYR   5           HH       TYR   5  -4.291  12.203  11.942
 1270    H    TYR   6           HN       TYR   6  -1.196  15.527   4.832
 1271    HA   TYR   6           HA       TYR   6  -1.607  14.834   2.009
 1272    HB2  TYR   6           HB2      TYR   6   0.314  16.954   2.991
 1273    HB3  TYR   6           HB1      TYR   6  -0.323  16.739   1.366
 1274    HD1  TYR   6           HD2      TYR   6  -3.223  16.387   2.045
 1275    HD2  TYR   6           HD1      TYR   6  -0.343  19.171   3.465
 1276    HE1  TYR   6           HE2      TYR   6  -5.023  17.983   2.517
 1277    HE2  TYR   6           HE1      TYR   6  -2.135  20.785   3.950
 1278    HH   TYR   6           HH       TYR   6  -5.424  19.931   3.963
 1279    H    LEU   7           HN       LEU   7  -0.331  13.472   1.071
 1280    HA   LEU   7           HA       LEU   7   2.063  12.508   2.513
 1281    HB2  LEU   7           HB2      LEU   7  -0.217  11.212   1.689
 1282    HB3  LEU   7           HB1      LEU   7   0.873  10.909   0.364
 1283    HG   LEU   7           HG       LEU   7   2.120   9.440   1.548
 1284   HD11  LEU   7          HD11      LEU   7   1.753   9.629   4.253
 1285   HD12  LEU   7          HD12      LEU   7   1.847  11.313   3.733
 1286   HD13  LEU   7          HD13      LEU   7   3.156  10.200   3.350
 1287   HD21  LEU   7          HD21      LEU   7   0.684   8.013   2.796
 1288   HD22  LEU   7          HD22      LEU   7  -0.259   8.762   1.503
 1289   HD23  LEU   7          HD23      LEU   7  -0.405   9.354   3.159
 1290    H    GLN   8           HN       GLN   8   3.818  13.564   1.559
 1291    HA   GLN   8           HA       GLN   8   3.784  14.038  -1.235
 1292    HB2  GLN   8           HB2      GLN   8   5.091  15.171   0.855
 1293    HB3  GLN   8           HB1      GLN   8   6.377  14.233   0.107
 1294    HG2  GLN   8           HG2      GLN   8   5.542  15.318  -2.084
 1295    HG3  GLN   8           HG1      GLN   8   4.801  16.496  -1.005
 1296   HE21  GLN   8          HE21      GLN   8   7.101  16.074   0.916
 1297   HE22  GLN   8          HE22      GLN   8   8.382  17.017   0.249
 1298    H    VAL   9           HN       VAL   9   4.071  12.572  -2.682
 1299    HA   VAL   9           HA       VAL   9   5.918  10.399  -2.066
 1300    HB   VAL   9           HB       VAL   9   3.348  10.327  -3.638
 1301   HG11  VAL   9          HG11      VAL   9   3.873   7.951  -4.144
 1302   HG12  VAL   9          HG12      VAL   9   5.523   8.252  -3.598
 1303   HG13  VAL   9          HG13      VAL   9   4.883   9.119  -4.995
 1304   HG21  VAL   9          HG21      VAL   9   2.622   8.742  -2.054
 1305   HG22  VAL   9          HG22      VAL   9   3.391  10.036  -1.133
 1306   HG23  VAL   9          HG23      VAL   9   4.250   8.522  -1.418
 1307    H    ARG  10           HN       ARG  10   7.614  10.109  -3.393
 1308    HA   ARG  10           HA       ARG  10   7.742  11.877  -5.733
 1309    HB2  ARG  10           HB2      ARG  10   9.514  11.907  -3.839
 1310    HB3  ARG  10           HB1      ARG  10  10.087  10.403  -4.544
 1311    HG2  ARG  10           HG2      ARG  10   9.757  12.833  -6.250
 1312    HG3  ARG  10           HG1      ARG  10  11.185  12.639  -5.231
 1313    HD2  ARG  10           HD2      ARG  10  11.618  10.462  -6.310
 1314    HD3  ARG  10           HD1      ARG  10  10.231  10.730  -7.363
 1315    HE   ARG  10           HE       ARG  10  12.007  12.909  -7.560
 1316   HH11  ARG  10          HH11      ARG  10  11.723   9.555  -8.465
 1317   HH12  ARG  10          HH12      ARG  10  12.739   9.712  -9.859
 1318   HH21  ARG  10          HH21      ARG  10  13.346  13.124  -9.392
 1319   HH22  ARG  10          HH22      ARG  10  13.661  11.741 -10.386
 1320    H    GLY  11           HN       GLY  11   8.022  11.145  -7.736
 1321    HA2  GLY  11           HA2      GLY  11   8.551   9.540  -9.399
 1322    HA3  GLY  11           HA1      GLY  11   8.579   8.296  -8.157
 1323    H    ARG  12           HN       ARG  12   6.982   9.198 -10.800
 1324    HA   ARG  12           HA       ARG  12   4.280   9.209 -10.218
 1325    HB2  ARG  12           HB2      ARG  12   5.541   9.497 -12.478
 1326    HB3  ARG  12           HB1      ARG  12   5.308   7.761 -12.632
 1327    HG2  ARG  12           HG2      ARG  12   3.524   8.788 -13.781
 1328    HG3  ARG  12           HG1      ARG  12   2.856   8.166 -12.271
 1329    HD2  ARG  12           HD2      ARG  12   3.081  10.418 -11.285
 1330    HD3  ARG  12           HD1      ARG  12   3.650  11.016 -12.843
 1331    HE   ARG  12           HE       ARG  12   0.992   9.781 -12.592
 1332   HH11  ARG  12          HH11      ARG  12   3.020  12.494 -13.417
 1333   HH12  ARG  12          HH12      ARG  12   1.731  13.401 -14.136
 1334   HH21  ARG  12          HH21      ARG  12  -0.707  10.968 -13.539
 1335   HH22  ARG  12          HH22      ARG  12  -0.385  12.535 -14.205
 1336    H    GLU  13           HN       GLU  13   6.258   6.282 -10.856
 1337    HA   GLU  13           HA       GLU  13   4.221   4.444 -10.760
 1338    HB2  GLU  13           HB2      GLU  13   6.632   4.013 -11.319
 1339    HB3  GLU  13           HB1      GLU  13   6.965   3.997  -9.591
 1340    HG2  GLU  13           HG2      GLU  13   6.749   1.751 -10.227
 1341    HG3  GLU  13           HG1      GLU  13   5.248   2.169  -9.403
 1342    H    ASN  14           HN       ASN  14   6.085   5.712  -8.015
 1343    HA   ASN  14           HA       ASN  14   4.819   4.134  -6.018
 1344    HB2  ASN  14           HB2      ASN  14   6.168   6.823  -5.705
 1345    HB3  ASN  14           HB1      ASN  14   5.878   5.632  -4.440
 1346   HD21  ASN  14          HD21      ASN  14   8.385   6.781  -5.258
 1347   HD22  ASN  14          HD22      ASN  14   9.388   5.474  -5.778
 1348    H    PHE  15           HN       PHE  15   4.271   7.422  -7.226
 1349    HA   PHE  15           HA       PHE  15   2.262   8.196  -5.466
 1350    HB2  PHE  15           HB2      PHE  15   3.446   9.676  -7.085
 1351    HB3  PHE  15           HB1      PHE  15   2.498   8.958  -8.382
 1352    HD1  PHE  15           HD2      PHE  15   1.389   9.964  -4.967
 1353    HD2  PHE  15           HD1      PHE  15   1.200  10.711  -9.161
 1354    HE1  PHE  15           HE2      PHE  15  -0.373  11.614  -4.588
 1355    HE2  PHE  15           HE1      PHE  15  -0.591  12.363  -8.775
 1356    HZ   PHE  15           HZ       PHE  15  -1.377  12.811  -6.479
 1357    H    GLU  16           HN       GLU  16   1.977   6.541  -8.603
 1358    HA   GLU  16           HA       GLU  16  -0.853   6.389  -8.685
 1359    HB2  GLU  16           HB2      GLU  16   1.246   4.610  -9.936
 1360    HB3  GLU  16           HB1      GLU  16  -0.468   4.573 -10.329
 1361    HG2  GLU  16           HG2      GLU  16   1.361   6.932 -10.712
 1362    HG3  GLU  16           HG1      GLU  16   0.837   5.821 -11.976
 1363    H    ILE  17           HN       ILE  17   1.531   4.011  -7.468
 1364    HA   ILE  17           HA       ILE  17  -0.413   2.063  -6.841
 1365    HB   ILE  17           HB       ILE  17   2.421   2.482  -6.188
 1366   HG12  ILE  17          HG12      ILE  17   0.982  -0.119  -6.586
 1367   HG13  ILE  17          HG11      ILE  17   1.252   0.960  -7.948
 1368   HG21  ILE  17          HG21      ILE  17   0.701   0.758  -4.406
 1369   HG22  ILE  17          HG22      ILE  17   1.529   2.241  -3.920
 1370   HG23  ILE  17          HG23      ILE  17   2.465   0.822  -4.394
 1371   HD11  ILE  17          HD11      ILE  17   2.936  -0.841  -7.694
 1372   HD12  ILE  17          HD12      ILE  17   3.435  -0.098  -6.171
 1373   HD13  ILE  17          HD13      ILE  17   3.617   0.788  -7.687
 1374    H    LEU  18           HN       LEU  18   0.909   4.788  -4.963
 1375    HA   LEU  18           HA       LEU  18  -0.491   4.069  -2.564
 1376    HB2  LEU  18           HB2      LEU  18   1.092   6.456  -3.465
 1377    HB3  LEU  18           HB1      LEU  18   0.238   6.433  -1.934
 1378    HG   LEU  18           HG       LEU  18   2.073   4.163  -2.457
 1379   HD11  LEU  18          HD11      LEU  18   4.051   5.344  -2.003
 1380   HD12  LEU  18          HD12      LEU  18   3.173   6.808  -1.568
 1381   HD13  LEU  18          HD13      LEU  18   3.234   6.286  -3.251
 1382   HD21  LEU  18          HD21      LEU  18   1.471   5.903  -0.069
 1383   HD22  LEU  18          HD22      LEU  18   2.536   4.497  -0.066
 1384   HD23  LEU  18          HD23      LEU  18   0.814   4.298  -0.390
 1385    H    MET  19           HN       MET  19  -1.036   6.217  -5.308
 1386    HA   MET  19           HA       MET  19  -3.195   7.648  -4.164
 1387    HB2  MET  19           HB2      MET  19  -1.761   8.022  -6.416
 1388    HB3  MET  19           HB1      MET  19  -3.159   7.228  -7.118
 1389    HG2  MET  19           HG2      MET  19  -3.106   9.799  -5.565
 1390    HG3  MET  19           HG1      MET  19  -3.441   9.581  -7.277
 1391    HE1  MET  19           HE1      MET  19  -6.749  10.802  -5.375
 1392    HE2  MET  19           HE2      MET  19  -5.687  11.201  -6.726
 1393    HE3  MET  19           HE3      MET  19  -5.055  11.199  -5.078
 1394    H    LYS  20           HN       LYS  20  -3.131   4.886  -6.387
 1395    HA   LYS  20           HA       LYS  20  -5.881   4.388  -6.532
 1396    HB2  LYS  20           HB2      LYS  20  -3.834   3.298  -7.746
 1397    HB3  LYS  20           HB1      LYS  20  -3.881   2.170  -6.401
 1398    HG2  LYS  20           HG2      LYS  20  -6.307   2.744  -8.068
 1399    HG3  LYS  20           HG1      LYS  20  -5.118   1.524  -8.529
 1400    HD2  LYS  20           HD2      LYS  20  -5.459   0.500  -6.249
 1401    HD3  LYS  20           HD1      LYS  20  -6.826   1.599  -6.048
 1402    HE2  LYS  20           HE2      LYS  20  -6.519  -0.404  -8.282
 1403    HE3  LYS  20           HE1      LYS  20  -7.502  -0.640  -6.838
 1404    HZ1  LYS  20           HZ1      LYS  20  -7.893   1.500  -8.862
 1405    HZ2  LYS  20           HZ2      LYS  20  -8.843   1.262  -7.483
 1406    HZ3  LYS  20           HZ3      LYS  20  -8.834   0.101  -8.714
 1407    H    LEU  21           HN       LEU  21  -3.422   3.479  -4.221
 1408    HA   LEU  21           HA       LEU  21  -5.066   1.822  -2.618
 1409    HB2  LEU  21           HB2      LEU  21  -2.467   2.024  -2.762
 1410    HB3  LEU  21           HB1      LEU  21  -2.654   3.357  -1.651
 1411    HG   LEU  21           HG       LEU  21  -3.126   0.442  -1.161
 1412   HD11  LEU  21          HD11      LEU  21  -1.372   2.580  -0.005
 1413   HD12  LEU  21          HD12      LEU  21  -0.900   1.075  -0.789
 1414   HD13  LEU  21          HD13      LEU  21  -1.648   1.042   0.807
 1415   HD21  LEU  21          HD21      LEU  21  -4.016   2.735   0.583
 1416   HD22  LEU  21          HD22      LEU  21  -3.945   1.044   1.084
 1417   HD23  LEU  21          HD23      LEU  21  -5.053   1.539  -0.195
 1418    H    LYS  22           HN       LYS  22  -4.176   5.221  -2.448
 1419    HA   LYS  22           HA       LYS  22  -5.236   5.951  -0.034
 1420    HB2  LYS  22           HB2      LYS  22  -3.963   7.449  -1.468
 1421    HB3  LYS  22           HB1      LYS  22  -5.240   7.428  -2.671
 1422    HG2  LYS  22           HG2      LYS  22  -6.695   8.669  -1.270
 1423    HG3  LYS  22           HG1      LYS  22  -5.611   8.493   0.112
 1424    HD2  LYS  22           HD2      LYS  22  -4.691  10.434  -0.487
 1425    HD3  LYS  22           HD1      LYS  22  -4.027   9.594  -1.887
 1426    HE2  LYS  22           HE2      LYS  22  -6.172  10.106  -3.087
 1427    HE3  LYS  22           HE1      LYS  22  -6.609  11.130  -1.720
 1428    HZ1  LYS  22           HZ1      LYS  22  -5.630  12.435  -3.479
 1429    HZ2  LYS  22           HZ2      LYS  22  -4.236  11.477  -3.470
 1430    HZ3  LYS  22           HZ3      LYS  22  -4.608  12.440  -2.131
 1431    H    GLU  23           HN       GLU  23  -6.842   5.509  -3.135
 1432    HA   GLU  23           HA       GLU  23  -9.422   6.316  -2.259
 1433    HB2  GLU  23           HB2      GLU  23  -8.551   4.585  -4.582
 1434    HB3  GLU  23           HB1      GLU  23 -10.207   5.115  -4.318
 1435    HG2  GLU  23           HG2      GLU  23  -9.563   7.417  -4.586
 1436    HG3  GLU  23           HG1      GLU  23  -7.867   6.964  -4.703
 1437    H    SER  24           HN       SER  24  -7.890   3.097  -2.542
 1438    HA   SER  24           HA       SER  24 -10.142   1.682  -1.748
 1439    HB2  SER  24           HB2      SER  24  -8.652  -0.182  -1.235
 1440    HB3  SER  24           HB1      SER  24  -8.120   0.618  -2.709
 1441    HG   SER  24           HG       SER  24  -6.447   0.110  -1.115
 1442    H    LEU  25           HN       LEU  25  -7.527   3.005   0.283
 1443    HA   LEU  25           HA       LEU  25  -8.510   2.015   2.755
 1444    HB2  LEU  25           HB2      LEU  25  -6.560   4.104   1.917
 1445    HB3  LEU  25           HB1      LEU  25  -7.137   4.119   3.572
 1446    HG   LEU  25           HG       LEU  25  -5.847   1.717   2.276
 1447   HD11  LEU  25          HD11      LEU  25  -3.865   2.317   3.618
 1448   HD12  LEU  25          HD12      LEU  25  -4.641   3.844   4.037
 1449   HD13  LEU  25          HD13      LEU  25  -4.226   3.498   2.359
 1450   HD21  LEU  25          HD21      LEU  25  -6.343   2.358   5.180
 1451   HD22  LEU  25          HD22      LEU  25  -5.668   0.869   4.519
 1452   HD23  LEU  25          HD23      LEU  25  -7.351   1.290   4.203
 1453    H    GLU  26           HN       GLU  26  -8.933   5.139   1.129
 1454    HA   GLU  26           HA       GLU  26 -10.498   6.292   3.189
 1455    HB2  GLU  26           HB2      GLU  26 -10.150   6.964   0.276
 1456    HB3  GLU  26           HB1      GLU  26 -11.203   7.892   1.334
 1457    HG2  GLU  26           HG2      GLU  26  -9.209   8.242   2.827
 1458    HG3  GLU  26           HG1      GLU  26  -8.227   7.546   1.539
 1459    H    LEU  27           HN       LEU  27 -11.336   4.605   0.195
 1460    HA   LEU  27           HA       LEU  27 -14.157   4.909   0.393
 1461    HB2  LEU  27           HB2      LEU  27 -12.346   3.065  -1.119
 1462    HB3  LEU  27           HB1      LEU  27 -14.083   2.823  -1.124
 1463    HG   LEU  27           HG       LEU  27 -12.807   5.426  -1.948
 1464   HD11  LEU  27          HD11      LEU  27 -13.053   4.729  -4.246
 1465   HD12  LEU  27          HD12      LEU  27 -13.677   3.161  -3.733
 1466   HD13  LEU  27          HD13      LEU  27 -12.004   3.601  -3.388
 1467   HD21  LEU  27          HD21      LEU  27 -15.148   5.564  -1.321
 1468   HD22  LEU  27          HD22      LEU  27 -15.537   4.237  -2.416
 1469   HD23  LEU  27          HD23      LEU  27 -14.963   5.775  -3.062
 1470    H    MET  28           HN       MET  28 -11.958   2.464   1.757
 1471    HA   MET  28           HA       MET  28 -13.905   0.630   2.328
 1472    HB2  MET  28           HB2      MET  28 -11.428   0.317   2.719
 1473    HB3  MET  28           HB1      MET  28 -11.605   1.241   4.207
 1474    HG2  MET  28           HG2      MET  28 -13.436  -0.531   4.744
 1475    HG3  MET  28           HG1      MET  28 -12.584  -1.486   3.541
 1476    HE1  MET  28           HE1      MET  28  -9.581  -1.354   3.862
 1477    HE2  MET  28           HE2      MET  28 -10.603  -2.788   3.893
 1478    HE3  MET  28           HE3      MET  28  -9.376  -2.549   5.140
 1479    H    GLU  29           HN       GLU  29 -13.782   3.788   3.556
 1480    HA   GLU  29           HA       GLU  29 -15.188   3.145   6.022
 1481    HB2  GLU  29           HB2      GLU  29 -14.780   5.307   6.681
 1482    HB3  GLU  29           HB1      GLU  29 -13.400   5.010   5.634
 1483    HG2  GLU  29           HG2      GLU  29 -14.627   6.135   3.792
 1484    HG3  GLU  29           HG1      GLU  29 -15.903   6.529   4.941
 1485    H    LEU  30           HN       LEU  30 -15.909   4.057   2.759
 1486    HA   LEU  30           HA       LEU  30 -18.532   5.099   3.479
 1487    HB2  LEU  30           HB2      LEU  30 -18.467   6.246   1.571
 1488    HB3  LEU  30           HB1      LEU  30 -16.769   5.830   1.549
 1489    HG   LEU  30           HG       LEU  30 -18.930   4.319   0.093
 1490   HD11  LEU  30          HD11      LEU  30 -16.858   6.235  -0.964
 1491   HD12  LEU  30          HD12      LEU  30 -18.578   6.586  -0.788
 1492   HD13  LEU  30          HD13      LEU  30 -18.044   5.342  -1.920
 1493   HD21  LEU  30          HD21      LEU  30 -16.994   3.315  -1.106
 1494   HD22  LEU  30          HD22      LEU  30 -17.115   2.847   0.588
 1495   HD23  LEU  30          HD23      LEU  30 -15.937   4.060   0.088
 1496    H    VAL  31           HN       VAL  31 -17.319   2.157   3.250
 1497    HA   VAL  31           HA       VAL  31 -19.627   1.014   1.842
 1498    HB   VAL  31           HB       VAL  31 -17.646   0.002   1.042
 1499   HG11  VAL  31          HG11      VAL  31 -15.958  -1.018   2.503
 1500   HG12  VAL  31          HG12      VAL  31 -16.829  -0.414   3.913
 1501   HG13  VAL  31          HG13      VAL  31 -16.109   0.719   2.769
 1502   HG21  VAL  31          HG21      VAL  31 -19.158  -1.681   3.001
 1503   HG22  VAL  31          HG22      VAL  31 -17.808  -2.360   2.101
 1504   HG23  VAL  31          HG23      VAL  31 -19.198  -1.704   1.238
 1505    HA   PRO  32           HA       PRO  32 -21.806   0.579   5.689
 1506    HB2  PRO  32           HB2      PRO  32 -22.625  -1.958   4.303
 1507    HB3  PRO  32           HB1      PRO  32 -23.619  -0.813   5.213
 1508    HG2  PRO  32           HG2      PRO  32 -23.566  -0.777   2.538
 1509    HG3  PRO  32           HG1      PRO  32 -23.682   0.718   3.482
 1510    HD2  PRO  32           HD2      PRO  32 -21.410  -0.347   1.921
 1511    HD3  PRO  32           HD1      PRO  32 -21.764   1.325   2.401
 1512    H    GLN  33           HN       GLN  33 -21.014  -0.182   7.554
 1513    HA   GLN  33           HA       GLN  33 -18.811  -1.809   7.815
 1514    HB2  GLN  33           HB2      GLN  33 -19.706  -0.305   9.572
 1515    HB3  GLN  33           HB1      GLN  33 -20.991  -1.465   9.876
 1516    HG2  GLN  33           HG2      GLN  33 -19.271  -1.720  11.527
 1517    HG3  GLN  33           HG1      GLN  33 -19.303  -3.144  10.489
 1518   HE21  GLN  33          HE21      GLN  33 -17.611  -3.500   9.049
 1519   HE22  GLN  33          HE22      GLN  33 -16.093  -2.688   9.198
 1520    HA   PRO  34           HA       PRO  34 -21.864  -5.537   8.853
 1521    HB2  PRO  34           HB2      PRO  34 -23.980  -4.860   6.879
 1522    HB3  PRO  34           HB1      PRO  34 -24.126  -5.585   8.484
 1523    HG2  PRO  34           HG2      PRO  34 -24.810  -3.047   8.078
 1524    HG3  PRO  34           HG1      PRO  34 -23.979  -3.538   9.567
 1525    HD2  PRO  34           HD2      PRO  34 -22.886  -2.150   7.152
 1526    HD3  PRO  34           HD1      PRO  34 -22.524  -1.881   8.869
 1527    H    LEU  35           HN       LEU  35 -21.563  -4.044   5.666
 1528    HA   LEU  35           HA       LEU  35 -21.523  -6.538   4.248
 1529    HB2  LEU  35           HB2      LEU  35 -22.394  -4.474   3.242
 1530    HB3  LEU  35           HB1      LEU  35 -20.821  -3.722   3.402
 1531    HG   LEU  35           HG       LEU  35 -19.889  -5.258   1.776
 1532   HD11  LEU  35          HD11      LEU  35 -21.306  -6.807   0.532
 1533   HD12  LEU  35          HD12      LEU  35 -22.658  -6.417   1.596
 1534   HD13  LEU  35          HD13      LEU  35 -21.230  -7.224   2.244
 1535   HD21  LEU  35          HD21      LEU  35 -22.439  -3.975   0.827
 1536   HD22  LEU  35          HD22      LEU  35 -21.097  -4.479  -0.200
 1537   HD23  LEU  35          HD23      LEU  35 -20.870  -3.185   0.977
 1538    H    VAL  36           HN       VAL  36 -19.204  -4.340   5.649
 1539    HA   VAL  36           HA       VAL  36 -16.892  -5.512   4.381
 1540    HB   VAL  36           HB       VAL  36 -17.154  -3.700   6.796
 1541   HG11  VAL  36          HG11      VAL  36 -14.654  -4.747   5.469
 1542   HG12  VAL  36          HG12      VAL  36 -15.192  -5.074   7.117
 1543   HG13  VAL  36          HG13      VAL  36 -14.695  -3.445   6.657
 1544   HG21  VAL  36          HG21      VAL  36 -16.175  -2.016   5.326
 1545   HG22  VAL  36          HG22      VAL  36 -17.666  -2.663   4.641
 1546   HG23  VAL  36          HG23      VAL  36 -16.105  -3.192   4.013
 1547    H    ASP  37           HN       ASP  37 -18.608  -5.952   7.433
 1548    HA   ASP  37           HA       ASP  37 -16.790  -7.704   8.648
 1549    HB2  ASP  37           HB2      ASP  37 -18.706  -6.737   9.852
 1550    HB3  ASP  37           HB1      ASP  37 -19.814  -7.668   8.849
 1551    H    SER  38           HN       SER  38 -19.502  -8.302   6.402
 1552    HA   SER  38           HA       SER  38 -19.329 -11.084   6.357
 1553    HB2  SER  38           HB2      SER  38 -21.191  -9.830   5.350
 1554    HB3  SER  38           HB1      SER  38 -20.108  -9.226   4.095
 1555    HG   SER  38           HG       SER  38 -20.969 -11.884   4.540
 1556    H    TYR  39           HN       TYR  39 -17.634  -8.676   4.360
 1557    HA   TYR  39           HA       TYR  39 -16.282 -10.487   2.700
 1558    HB2  TYR  39           HB2      TYR  39 -16.170  -8.309   1.923
 1559    HB3  TYR  39           HB1      TYR  39 -15.825  -7.647   3.518
 1560    HD1  TYR  39           HD1      TYR  39 -14.342  -9.538   0.697
 1561    HD2  TYR  39           HD2      TYR  39 -13.602  -7.291   4.231
 1562    HE1  TYR  39           HE1      TYR  39 -11.948  -9.488   0.158
 1563    HE2  TYR  39           HE2      TYR  39 -11.216  -7.234   3.706
 1564    HH   TYR  39           HH       TYR  39  -9.582  -8.536   2.391
 1565    H    ARG  40           HN       ARG  40 -15.309  -8.981   5.760
 1566    HA   ARG  40           HA       ARG  40 -12.724  -9.988   5.930
 1567    HB2  ARG  40           HB2      ARG  40 -14.746  -9.204   8.009
 1568    HB3  ARG  40           HB1      ARG  40 -13.172  -9.834   8.475
 1569    HG2  ARG  40           HG2      ARG  40 -12.078  -8.024   7.275
 1570    HG3  ARG  40           HG1      ARG  40 -13.651  -7.400   6.771
 1571    HD2  ARG  40           HD2      ARG  40 -14.259  -7.035   9.107
 1572    HD3  ARG  40           HD1      ARG  40 -12.701  -7.681   9.620
 1573    HE   ARG  40           HE       ARG  40 -12.276  -5.544   7.846
 1574   HH11  ARG  40          HH11      ARG  40 -13.428  -6.166  11.076
 1575   HH12  ARG  40          HH12      ARG  40 -12.947  -4.617  11.684
 1576   HH21  ARG  40          HH21      ARG  40 -11.640  -3.502   8.638
 1577   HH22  ARG  40          HH22      ARG  40 -11.932  -3.103  10.298
 1578    H    GLN  41           HN       GLN  41 -15.793 -11.492   6.699
 1579    HA   GLN  41           HA       GLN  41 -14.724 -13.810   7.968
 1580    HB2  GLN  41           HB2      GLN  41 -17.090 -13.036   8.172
 1581    HB3  GLN  41           HB1      GLN  41 -17.348 -13.521   6.501
 1582    HG2  GLN  41           HG2      GLN  41 -18.174 -15.278   7.803
 1583    HG3  GLN  41           HG1      GLN  41 -16.613 -15.828   7.197
 1584   HE21  GLN  41          HE21      GLN  41 -18.392 -14.763   9.990
 1585   HE22  GLN  41          HE22      GLN  41 -17.245 -15.288  11.170
 1586    H    GLN  42           HN       GLN  42 -15.879 -13.189   4.660
 1587    HA   GLN  42           HA       GLN  42 -15.321 -15.732   3.631
 1588    HB2  GLN  42           HB2      GLN  42 -16.726 -14.085   2.471
 1589    HB3  GLN  42           HB1      GLN  42 -15.315 -13.073   2.191
 1590    HG2  GLN  42           HG2      GLN  42 -14.326 -14.818   0.807
 1591    HG3  GLN  42           HG1      GLN  42 -15.727 -15.849   1.100
 1592   HE21  GLN  42          HE21      GLN  42 -14.531 -13.023  -0.531
 1593   HE22  GLN  42          HE22      GLN  42 -15.866 -12.831  -1.611
 1594    H    GLN  43           HN       GLN  43 -13.259 -12.990   4.241
 1595    HA   GLN  43           HA       GLN  43 -11.052 -14.107   2.723
 1596    HB2  GLN  43           HB2      GLN  43 -11.420 -11.658   2.795
 1597    HB3  GLN  43           HB1      GLN  43 -11.117 -11.681   4.528
 1598    HG2  GLN  43           HG2      GLN  43  -9.158 -10.937   3.299
 1599    HG3  GLN  43           HG1      GLN  43  -8.845 -12.457   4.136
 1600   HE21  GLN  43          HE21      GLN  43  -7.177 -13.057   2.793
 1601   HE22  GLN  43          HE22      GLN  43  -7.419 -13.535   1.151
 1602    H    GLN  44           HN       GLN  44 -12.146 -13.872   6.029
 1603    HA   GLN  44           HA       GLN  44  -9.733 -14.586   7.309
 1604    HB2  GLN  44           HB2      GLN  44 -11.995 -13.686   8.292
 1605    HB3  GLN  44           HB1      GLN  44 -12.399 -15.392   8.417
 1606    HG2  GLN  44           HG2      GLN  44 -11.502 -14.585  10.504
 1607    HG3  GLN  44           HG1      GLN  44 -10.400 -15.757   9.781
 1608   HE21  GLN  44          HE21      GLN  44  -8.609 -14.992  10.878
 1609   HE22  GLN  44          HE22      GLN  44  -7.874 -13.470  10.516
 1610    H    LEU  45           HN       LEU  45 -12.074 -16.356   5.530
 1611    HA   LEU  45           HA       LEU  45 -11.802 -18.937   6.515
 1612    HB2  LEU  45           HB2      LEU  45 -13.442 -18.779   4.918
 1613    HB3  LEU  45           HB1      LEU  45 -12.492 -17.725   3.890
 1614    HG   LEU  45           HG       LEU  45 -11.064 -19.893   3.488
 1615   HD11  LEU  45          HD11      LEU  45 -12.193 -21.281   5.123
 1616   HD12  LEU  45          HD12      LEU  45 -12.445 -21.918   3.498
 1617   HD13  LEU  45          HD13      LEU  45 -13.734 -21.026   4.305
 1618   HD21  LEU  45          HD21      LEU  45 -12.642 -20.484   1.615
 1619   HD22  LEU  45          HD22      LEU  45 -12.131 -18.797   1.690
 1620   HD23  LEU  45          HD23      LEU  45 -13.736 -19.261   2.264
 1621    H    LEU  46           HN       LEU  46  -9.917 -17.323   3.976
 1622    HA   LEU  46           HA       LEU  46  -7.713 -19.188   4.515
 1623    HB2  LEU  46           HB2      LEU  46  -8.668 -20.004   2.508
 1624    HB3  LEU  46           HB1      LEU  46  -8.866 -18.391   1.855
 1625    HG   LEU  46           HG       LEU  46  -6.413 -18.193   1.637
 1626   HD11  LEU  46          HD11      LEU  46  -5.743 -19.683   3.424
 1627   HD12  LEU  46          HD12      LEU  46  -5.027 -20.191   1.894
 1628   HD13  LEU  46          HD13      LEU  46  -6.413 -21.061   2.551
 1629   HD21  LEU  46          HD21      LEU  46  -6.167 -19.780  -0.219
 1630   HD22  LEU  46          HD22      LEU  46  -7.724 -18.953  -0.259
 1631   HD23  LEU  46          HD23      LEU  46  -7.624 -20.617   0.315
 1632    H    GLN  47           HN       GLN  47  -6.422 -17.791   5.608
 1633    HA   GLN  47           HA       GLN  47  -5.934 -15.120   4.567
 1634    HB2  GLN  47           HB2      GLN  47  -5.988 -16.204   7.119
 1635    HB3  GLN  47           HB1      GLN  47  -4.274 -15.959   6.813
 1636    HG2  GLN  47           HG2      GLN  47  -5.035 -13.995   7.848
 1637    HG3  GLN  47           HG1      GLN  47  -4.856 -13.601   6.138
 1638   HE21  GLN  47          HE21      GLN  47  -6.715 -13.343   4.865
 1639   HE22  GLN  47          HE22      GLN  47  -8.258 -13.024   5.573
 1640    H    ARG  48           HN       ARG  48  -5.062 -17.371   2.981
 1641    HA   ARG  48           HA       ARG  48  -2.202 -16.732   2.869
 1642    HB2  ARG  48           HB2      ARG  48  -3.355 -19.519   2.658
 1643    HB3  ARG  48           HB1      ARG  48  -1.671 -19.092   2.390
 1644    HG2  ARG  48           HG2      ARG  48  -1.397 -18.466   4.677
 1645    HG3  ARG  48           HG1      ARG  48  -3.124 -18.659   4.984
 1646    HD2  ARG  48           HD2      ARG  48  -1.812 -20.567   5.812
 1647    HD3  ARG  48           HD1      ARG  48  -2.964 -21.039   4.564
 1648    HE   ARG  48           HE       ARG  48  -0.561 -20.524   3.285
 1649   HH11  ARG  48          HH11      ARG  48  -1.786 -22.743   5.676
 1650   HH12  ARG  48          HH12      ARG  48  -0.690 -24.013   5.246
 1651   HH21  ARG  48          HH21      ARG  48   0.886 -22.192   2.712
 1652   HH22  ARG  48          HH22      ARG  48   0.829 -23.699   3.563
  Start of MODEL   15
    1    H    ASP   1           HT1      ASP   1  -5.212  14.196  16.910
    2    HA   ASP   1           HA       ASP   1  -5.110  15.663  14.340
    3    HB2  ASP   1           HB2      ASP   1  -2.890  14.460  16.012
    4    HB3  ASP   1           HB1      ASP   1  -2.688  15.169  14.413
    5    H    GLU   2           HN       GLU   2  -6.293  14.238  13.130
    6    HA   GLU   2           HA       GLU   2  -4.994  11.875  12.247
    7    HB2  GLU   2           HB2      GLU   2  -6.647  10.220  12.966
    8    HB3  GLU   2           HB1      GLU   2  -5.874  10.974  14.353
    9    HG2  GLU   2           HG2      GLU   2  -7.814  12.391  14.694
   10    HG3  GLU   2           HG1      GLU   2  -8.586  11.702  13.267
   11    H    ASP   3           HN       ASP   3  -6.609  14.419  11.528
   12    HA   ASP   3           HA       ASP   3  -8.767  13.383   9.935
   13    HB2  ASP   3           HB2      ASP   3  -7.498  16.129   9.865
   14    HB3  ASP   3           HB1      ASP   3  -9.050  15.678   9.167
   15    H    THR   4           HN       THR   4  -8.032  15.331   7.677
   16    HA   THR   4           HA       THR   4  -6.716  13.361   6.090
   17    HB   THR   4           HB       THR   4  -6.789  16.036   4.934
   18    HG1  THR   4           HG1      THR   4  -9.091  16.033   4.771
   19   HG21  THR   4          HG21      THR   4  -7.990  14.755   3.138
   20   HG22  THR   4          HG22      THR   4  -7.800  13.315   4.142
   21   HG23  THR   4          HG23      THR   4  -6.376  14.157   3.525
   22    H    TYR   5           HN       TYR   5  -4.782  13.402   5.173
   23    HA   TYR   5           HA       TYR   5  -2.738  15.143   6.381
   24    HB2  TYR   5           HB2      TYR   5  -2.773  12.188   5.940
   25    HB3  TYR   5           HB1      TYR   5  -1.284  13.095   6.181
   26    HD1  TYR   5           HD1      TYR   5  -1.078  14.485   8.317
   27    HD2  TYR   5           HD2      TYR   5  -4.035  11.476   7.775
   28    HE1  TYR   5           HE1      TYR   5  -1.366  14.339  10.752
   29    HE2  TYR   5           HE2      TYR   5  -4.330  11.319  10.210
   30    HH   TYR   5           HH       TYR   5  -3.072  13.632  12.360
   31    H    TYR   6           HN       TYR   6  -0.765  15.296   4.974
   32    HA   TYR   6           HA       TYR   6  -1.410  14.687   2.168
   33    HB2  TYR   6           HB2      TYR   6   0.566  16.804   3.046
   34    HB3  TYR   6           HB1      TYR   6  -0.159  16.594   1.458
   35    HD1  TYR   6           HD1      TYR   6  -3.020  16.200   2.330
   36    HD2  TYR   6           HD2      TYR   6  -0.082  19.032   3.529
   37    HE1  TYR   6           HE1      TYR   6  -4.802  17.782   2.909
   38    HE2  TYR   6           HE2      TYR   6  -1.858  20.629   4.119
   39    HH   TYR   6           HH       TYR   6  -4.207  21.066   3.549
   40    H    LEU   7           HN       LEU   7  -0.191  13.399   1.078
   41    HA   LEU   7           HA       LEU   7   2.273  12.344   2.333
   42    HB2  LEU   7           HB2      LEU   7  -0.095  11.119   1.479
   43    HB3  LEU   7           HB1      LEU   7   1.047  10.780   0.211
   44    HG   LEU   7           HG       LEU   7   2.091   9.199   1.405
   45   HD11  LEU   7          HD11      LEU   7   3.299   9.982   3.099
   46   HD12  LEU   7          HD12      LEU   7   1.929   9.498   4.104
   47   HD13  LEU   7          HD13      LEU   7   2.078  11.168   3.548
   48   HD21  LEU   7          HD21      LEU   7   0.614   8.047   2.961
   49   HD22  LEU   7          HD22      LEU   7  -0.256   8.615   1.535
   50   HD23  LEU   7          HD23      LEU   7  -0.400   9.486   3.061
   51    H    GLN   8           HN       GLN   8   4.030  13.234   1.272
   52    HA   GLN   8           HA       GLN   8   3.710  13.989  -1.495
   53    HB2  GLN   8           HB2      GLN   8   5.040  15.194   0.484
   54    HB3  GLN   8           HB1      GLN   8   6.337  14.202  -0.147
   55    HG2  GLN   8           HG2      GLN   8   5.524  15.241  -2.430
   56    HG3  GLN   8           HG1      GLN   8   4.974  16.519  -1.345
   57   HE21  GLN   8          HE21      GLN   8   6.435  18.054  -1.893
   58   HE22  GLN   8          HE22      GLN   8   8.138  17.917  -1.614
   59    H    VAL   9           HN       VAL   9   4.050  12.594  -3.042
   60    HA   VAL   9           HA       VAL   9   5.944  10.427  -2.533
   61    HB   VAL   9           HB       VAL   9   3.242  10.267  -3.850
   62   HG11  VAL   9          HG11      VAL   9   3.816   7.874  -4.311
   63   HG12  VAL   9          HG12      VAL   9   5.498   8.289  -3.979
   64   HG13  VAL   9          HG13      VAL   9   4.646   9.058  -5.318
   65   HG21  VAL   9          HG21      VAL   9   4.465   8.695  -1.589
   66   HG22  VAL   9          HG22      VAL   9   2.814   8.553  -2.193
   67   HG23  VAL   9          HG23      VAL   9   3.341  10.041  -1.408
   68    H    ARG  10           HN       ARG  10   7.500  10.144  -3.997
   69    HA   ARG  10           HA       ARG  10   7.380  11.861  -6.374
   70    HB2  ARG  10           HB2      ARG  10   9.316  11.934  -4.660
   71    HB3  ARG  10           HB1      ARG  10   9.839  10.423  -5.389
   72    HG2  ARG  10           HG2      ARG  10   9.328  12.804  -7.113
   73    HG3  ARG  10           HG1      ARG  10  10.834  12.676  -6.204
   74    HD2  ARG  10           HD2      ARG  10  11.244  10.481  -7.252
   75    HD3  ARG  10           HD1      ARG  10   9.772  10.681  -8.202
   76    HE   ARG  10           HE       ARG  10  11.282  12.915  -8.718
   77   HH11  ARG  10          HH11      ARG  10  11.707   9.470  -9.041
   78   HH12  ARG  10          HH12      ARG  10  12.763   9.599 -10.408
   79   HH21  ARG  10          HH21      ARG  10  12.672  13.092 -10.518
   80   HH22  ARG  10          HH22      ARG  10  13.314  11.657 -11.246
   81    H    GLY  11           HN       GLY  11   7.574  11.101  -8.419
   82    HA2  GLY  11           HA2      GLY  11   7.946   9.487 -10.095
   83    HA3  GLY  11           HA1      GLY  11   8.129   8.265  -8.845
   84    H    ARG  12           HN       ARG  12   6.286   9.013 -11.356
   85    HA   ARG  12           HA       ARG  12   3.648   8.994 -10.560
   86    HB2  ARG  12           HB2      ARG  12   4.740   9.194 -12.913
   87    HB3  ARG  12           HB1      ARG  12   4.515   7.450 -12.974
   88    HG2  ARG  12           HG2      ARG  12   2.649   8.427 -14.039
   89    HG3  ARG  12           HG1      ARG  12   2.091   7.845 -12.471
   90    HD2  ARG  12           HD2      ARG  12   2.292  10.112 -11.568
   91    HD3  ARG  12           HD1      ARG  12   2.842  10.688 -13.140
   92    HE   ARG  12           HE       ARG  12   0.180   9.477 -12.797
   93   HH11  ARG  12          HH11      ARG  12   2.227  12.097 -13.842
   94   HH12  ARG  12          HH12      ARG  12   0.940  12.967 -14.607
   95   HH21  ARG  12          HH21      ARG  12  -1.519  10.617 -13.802
   96   HH22  ARG  12          HH22      ARG  12  -1.189  12.127 -14.583
   97    H    GLU  13           HN       GLU  13   5.611   6.153 -11.324
   98    HA   GLU  13           HA       GLU  13   3.703   4.188 -10.917
   99    HB2  GLU  13           HB2      GLU  13   5.911   3.683 -11.821
  100    HB3  GLU  13           HB1      GLU  13   6.654   4.043 -10.269
  101    HG2  GLU  13           HG2      GLU  13   5.543   2.150  -9.258
  102    HG3  GLU  13           HG1      GLU  13   4.694   1.814 -10.767
  103    H    ASN  14           HN       ASN  14   5.801   5.696  -8.514
  104    HA   ASN  14           HA       ASN  14   5.019   4.162  -6.275
  105    HB2  ASN  14           HB2      ASN  14   7.112   5.460  -6.429
  106    HB3  ASN  14           HB1      ASN  14   6.184   6.952  -6.483
  107   HD21  ASN  14          HD21      ASN  14   8.185   6.440  -4.635
  108   HD22  ASN  14          HD22      ASN  14   7.475   6.350  -3.062
  109    H    PHE  15           HN       PHE  15   3.993   7.317  -7.528
  110    HA   PHE  15           HA       PHE  15   2.169   7.897  -5.459
  111    HB2  PHE  15           HB2      PHE  15   3.138   9.614  -6.935
  112    HB3  PHE  15           HB1      PHE  15   2.309   8.911  -8.315
  113    HD1  PHE  15           HD1      PHE  15   1.250   9.950  -4.874
  114    HD2  PHE  15           HD2      PHE  15   0.658  10.267  -9.084
  115    HE1  PHE  15           HE1      PHE  15  -0.626  11.473  -4.491
  116    HE2  PHE  15           HE2      PHE  15  -1.250  11.781  -8.693
  117    HZ   PHE  15           HZ       PHE  15  -1.889  12.388  -6.389
  118    H    GLU  16           HN       GLU  16   1.664   6.538  -8.708
  119    HA   GLU  16           HA       GLU  16  -1.077   6.293  -8.601
  120    HB2  GLU  16           HB2      GLU  16   0.956   4.557  -9.997
  121    HB3  GLU  16           HB1      GLU  16  -0.777   4.392 -10.241
  122    HG2  GLU  16           HG2      GLU  16  -0.892   6.679 -11.064
  123    HG3  GLU  16           HG1      GLU  16   0.839   6.871 -10.793
  124    H    ILE  17           HN       ILE  17   1.353   4.160  -7.229
  125    HA   ILE  17           HA       ILE  17  -0.474   2.013  -6.655
  126    HB   ILE  17           HB       ILE  17   2.362   2.545  -6.090
  127   HG12  ILE  17          HG12      ILE  17   0.987  -0.096  -6.486
  128   HG13  ILE  17          HG11      ILE  17   1.238   0.998  -7.838
  129   HG21  ILE  17          HG21      ILE  17   2.503   0.840  -4.321
  130   HG22  ILE  17          HG22      ILE  17   0.741   0.767  -4.264
  131   HG23  ILE  17          HG23      ILE  17   1.580   2.249  -3.798
  132   HD11  ILE  17          HD11      ILE  17   3.638   0.908  -7.474
  133   HD12  ILE  17          HD12      ILE  17   2.967  -0.713  -7.689
  134   HD13  ILE  17          HD13      ILE  17   3.395  -0.141  -6.076
  135    H    LEU  18           HN       LEU  18   0.811   4.786  -4.858
  136    HA   LEU  18           HA       LEU  18  -0.474   4.082  -2.359
  137    HB2  LEU  18           HB2      LEU  18   1.160   6.360  -3.403
  138    HB3  LEU  18           HB1      LEU  18   0.249   6.529  -1.916
  139    HG   LEU  18           HG       LEU  18   2.029   4.165  -2.125
  140   HD11  LEU  18          HD11      LEU  18   3.191   6.821  -1.389
  141   HD12  LEU  18          HD12      LEU  18   3.241   6.237  -3.052
  142   HD13  LEU  18          HD13      LEU  18   4.018   5.310  -1.768
  143   HD21  LEU  18          HD21      LEU  18   1.127   6.093  -0.012
  144   HD22  LEU  18          HD22      LEU  18   2.468   4.980   0.256
  145   HD23  LEU  18          HD23      LEU  18   0.862   4.352  -0.109
  146    H    MET  19           HN       MET  19  -1.155   6.019  -5.192
  147    HA   MET  19           HA       MET  19  -3.251   7.520  -3.956
  148    HB2  MET  19           HB2      MET  19  -1.771   8.061  -6.115
  149    HB3  MET  19           HB1      MET  19  -3.038   7.174  -6.940
  150    HG2  MET  19           HG2      MET  19  -3.319   9.707  -5.361
  151    HG3  MET  19           HG1      MET  19  -3.475   9.501  -7.099
  152    HE1  MET  19           HE1      MET  19  -6.959  10.376  -5.187
  153    HE2  MET  19           HE2      MET  19  -5.881  11.026  -6.421
  154    HE3  MET  19           HE3      MET  19  -5.300  10.809  -4.768
  155    H    LYS  20           HN       LYS  20  -3.034   4.595  -5.937
  156    HA   LYS  20           HA       LYS  20  -5.866   4.310  -6.195
  157    HB2  LYS  20           HB2      LYS  20  -3.867   3.181  -7.503
  158    HB3  LYS  20           HB1      LYS  20  -3.965   1.998  -6.208
  159    HG2  LYS  20           HG2      LYS  20  -6.400   2.766  -7.765
  160    HG3  LYS  20           HG1      LYS  20  -5.261   1.571  -8.387
  161    HD2  LYS  20           HD2      LYS  20  -5.528   0.365  -6.179
  162    HD3  LYS  20           HD1      LYS  20  -6.880   1.451  -5.853
  163    HE2  LYS  20           HE2      LYS  20  -6.670  -0.299  -8.297
  164    HE3  LYS  20           HE1      LYS  20  -7.527  -0.758  -6.827
  165    HZ1  LYS  20           HZ1      LYS  20  -8.982   1.141  -7.115
  166    HZ2  LYS  20           HZ2      LYS  20  -9.019   0.167  -8.497
  167    HZ3  LYS  20           HZ3      LYS  20  -8.143   1.614  -8.507
  168    H    LEU  21           HN       LEU  21  -3.426   3.636  -3.839
  169    HA   LEU  21           HA       LEU  21  -5.043   1.859  -2.272
  170    HB2  LEU  21           HB2      LEU  21  -2.769   1.461  -1.991
  171    HB3  LEU  21           HB1      LEU  21  -2.379   3.166  -1.881
  172    HG   LEU  21           HG       LEU  21  -3.149   3.294   0.370
  173   HD11  LEU  21          HD11      LEU  21  -4.949   2.136   0.941
  174   HD12  LEU  21          HD12      LEU  21  -3.869   0.765   1.196
  175   HD13  LEU  21          HD13      LEU  21  -4.699   0.961  -0.348
  176   HD21  LEU  21          HD21      LEU  21  -0.964   2.441   0.314
  177   HD22  LEU  21          HD22      LEU  21  -1.517   0.843  -0.187
  178   HD23  LEU  21          HD23      LEU  21  -1.836   1.412   1.451
  179    H    LYS  22           HN       LYS  22  -4.197   5.290  -2.140
  180    HA   LYS  22           HA       LYS  22  -5.300   5.937   0.335
  181    HB2  LYS  22           HB2      LYS  22  -4.126   7.708  -0.494
  182    HB3  LYS  22           HB1      LYS  22  -4.550   7.346  -2.157
  183    HG2  LYS  22           HG2      LYS  22  -6.935   8.211  -1.236
  184    HG3  LYS  22           HG1      LYS  22  -5.835   9.144  -0.221
  185    HD2  LYS  22           HD2      LYS  22  -4.828   9.186  -2.872
  186    HD3  LYS  22           HD1      LYS  22  -6.546   9.576  -2.941
  187    HE2  LYS  22           HE2      LYS  22  -6.244  11.338  -1.313
  188    HE3  LYS  22           HE1      LYS  22  -4.543  10.913  -1.129
  189    HZ1  LYS  22           HZ1      LYS  22  -4.190  11.522  -3.446
  190    HZ2  LYS  22           HZ2      LYS  22  -4.815  12.824  -2.567
  191    HZ3  LYS  22           HZ3      LYS  22  -5.820  11.944  -3.603
  192    H    GLU  23           HN       GLU  23  -6.673   5.640  -2.868
  193    HA   GLU  23           HA       GLU  23  -9.300   6.495  -2.225
  194    HB2  GLU  23           HB2      GLU  23  -8.774   6.510  -4.514
  195    HB3  GLU  23           HB1      GLU  23  -8.053   4.911  -4.454
  196    HG2  GLU  23           HG2      GLU  23 -10.191   3.876  -4.304
  197    HG3  GLU  23           HG1      GLU  23 -10.991   5.437  -4.122
  198    H    SER  24           HN       SER  24  -7.838   3.222  -2.390
  199    HA   SER  24           HA       SER  24 -10.123   1.835  -1.657
  200    HB2  SER  24           HB2      SER  24  -7.400   0.966  -0.779
  201    HB3  SER  24           HB1      SER  24  -8.763  -0.018  -1.304
  202    HG   SER  24           HG       SER  24  -7.989   0.109  -3.239
  203    H    LEU  25           HN       LEU  25  -7.553   3.139   0.448
  204    HA   LEU  25           HA       LEU  25  -8.581   2.064   2.899
  205    HB2  LEU  25           HB2      LEU  25  -6.537   4.086   2.120
  206    HB3  LEU  25           HB1      LEU  25  -7.152   4.110   3.758
  207    HG   LEU  25           HG       LEU  25  -5.923   1.660   2.512
  208   HD11  LEU  25          HD11      LEU  25  -4.315   3.541   2.584
  209   HD12  LEU  25          HD12      LEU  25  -3.882   2.219   3.667
  210   HD13  LEU  25          HD13      LEU  25  -4.610   3.688   4.318
  211   HD21  LEU  25          HD21      LEU  25  -6.472   2.440   5.376
  212   HD22  LEU  25          HD22      LEU  25  -5.691   0.950   4.834
  213   HD23  LEU  25          HD23      LEU  25  -7.383   1.254   4.427
  214    H    GLU  26           HN       GLU  26  -8.843   5.221   1.335
  215    HA   GLU  26           HA       GLU  26 -10.366   6.319   3.455
  216    HB2  GLU  26           HB2      GLU  26  -9.880   7.191   0.620
  217    HB3  GLU  26           HB1      GLU  26 -11.058   8.040   1.614
  218    HG2  GLU  26           HG2      GLU  26  -9.302   8.487   3.274
  219    HG3  GLU  26           HG1      GLU  26  -8.133   7.685   2.227
  220    H    LEU  27           HN       LEU  27 -11.278   4.706   0.443
  221    HA   LEU  27           HA       LEU  27 -14.077   5.168   0.691
  222    HB2  LEU  27           HB2      LEU  27 -12.400   3.195  -0.809
  223    HB3  LEU  27           HB1      LEU  27 -14.146   3.067  -0.780
  224    HG   LEU  27           HG       LEU  27 -12.762   5.562  -1.715
  225   HD11  LEU  27          HD11      LEU  27 -13.651   3.221  -3.395
  226   HD12  LEU  27          HD12      LEU  27 -11.973   3.619  -3.024
  227   HD13  LEU  27          HD13      LEU  27 -12.954   4.734  -3.976
  228   HD21  LEU  27          HD21      LEU  27 -14.879   5.919  -2.874
  229   HD22  LEU  27          HD22      LEU  27 -15.140   5.728  -1.141
  230   HD23  LEU  27          HD23      LEU  27 -15.494   4.391  -2.239
  231    H    MET  28           HN       MET  28 -11.952   3.043   2.418
  232    HA   MET  28           HA       MET  28 -13.863   1.016   2.808
  233    HB2  MET  28           HB2      MET  28 -11.260   1.671   4.044
  234    HB3  MET  28           HB1      MET  28 -12.361   0.796   5.099
  235    HG2  MET  28           HG2      MET  28 -10.712  -0.553   3.702
  236    HG3  MET  28           HG1      MET  28 -12.393  -1.075   3.720
  237    HE1  MET  28           HE1      MET  28 -14.112   0.057   1.384
  238    HE2  MET  28           HE2      MET  28 -13.681  -1.514   2.055
  239    HE3  MET  28           HE3      MET  28 -13.479  -1.205   0.330
  240    H    GLU  29           HN       GLU  29 -13.916   4.152   3.862
  241    HA   GLU  29           HA       GLU  29 -15.405   3.620   6.301
  242    HB2  GLU  29           HB2      GLU  29 -15.244   5.905   6.729
  243    HB3  GLU  29           HB1      GLU  29 -13.713   5.518   5.956
  244    HG2  GLU  29           HG2      GLU  29 -14.673   6.328   3.806
  245    HG3  GLU  29           HG1      GLU  29 -16.099   6.852   4.698
  246    H    LEU  30           HN       LEU  30 -16.017   4.025   2.948
  247    HA   LEU  30           HA       LEU  30 -18.714   5.035   3.463
  248    HB2  LEU  30           HB2      LEU  30 -18.572   6.151   1.551
  249    HB3  LEU  30           HB1      LEU  30 -16.862   5.797   1.622
  250    HG   LEU  30           HG       LEU  30 -18.872   4.140   0.120
  251   HD11  LEU  30          HD11      LEU  30 -18.704   6.388  -0.815
  252   HD12  LEU  30          HD12      LEU  30 -17.963   5.201  -1.888
  253   HD13  LEU  30          HD13      LEU  30 -16.948   6.234  -0.880
  254   HD21  LEU  30          HD21      LEU  30 -15.875   4.101   0.247
  255   HD22  LEU  30          HD22      LEU  30 -16.793   3.326  -1.038
  256   HD23  LEU  30          HD23      LEU  30 -16.992   2.792   0.630
  257    H    VAL  31           HN       VAL  31 -17.280   2.143   3.286
  258    HA   VAL  31           HA       VAL  31 -19.520   0.876   1.877
  259    HB   VAL  31           HB       VAL  31 -17.515  -0.045   1.042
  260   HG11  VAL  31          HG11      VAL  31 -15.981   0.748   2.749
  261   HG12  VAL  31          HG12      VAL  31 -15.743  -0.974   2.442
  262   HG13  VAL  31          HG13      VAL  31 -16.608  -0.445   3.887
  263   HG21  VAL  31          HG21      VAL  31 -17.538  -2.408   2.149
  264   HG22  VAL  31          HG22      VAL  31 -18.940  -1.837   1.248
  265   HG23  VAL  31          HG23      VAL  31 -18.940  -1.779   3.009
  266    HA   PRO  32           HA       PRO  32 -21.595   0.285   5.765
  267    HB2  PRO  32           HB2      PRO  32 -22.365  -2.262   4.374
  268    HB3  PRO  32           HB1      PRO  32 -23.376  -1.148   5.303
  269    HG2  PRO  32           HG2      PRO  32 -23.382  -1.113   2.630
  270    HG3  PRO  32           HG1      PRO  32 -23.518   0.381   3.574
  271    HD2  PRO  32           HD2      PRO  32 -21.242  -0.640   1.981
  272    HD3  PRO  32           HD1      PRO  32 -21.649   1.030   2.428
  273    H    GLN  33           HN       GLN  33 -20.642  -0.416   7.560
  274    HA   GLN  33           HA       GLN  33 -18.400  -1.984   7.714
  275    HB2  GLN  33           HB2      GLN  33 -20.451  -1.635   9.899
  276    HB3  GLN  33           HB1      GLN  33 -18.759  -2.064  10.110
  277    HG2  GLN  33           HG2      GLN  33 -18.114   0.110   9.162
  278    HG3  GLN  33           HG1      GLN  33 -19.820   0.536   9.032
  279   HE21  GLN  33          HE21      GLN  33 -20.501  -0.807  11.536
  280   HE22  GLN  33          HE22      GLN  33 -19.924   0.218  12.801
  281    HA   PRO  34           HA       PRO  34 -21.118  -5.753   9.154
  282    HB2  PRO  34           HB2      PRO  34 -23.567  -5.869   7.842
  283    HB3  PRO  34           HB1      PRO  34 -23.331  -5.371   9.520
  284    HG2  PRO  34           HG2      PRO  34 -23.646  -3.693   7.070
  285    HG3  PRO  34           HG1      PRO  34 -24.292  -3.432   8.700
  286    HD2  PRO  34           HD2      PRO  34 -22.162  -2.075   7.799
  287    HD3  PRO  34           HD1      PRO  34 -22.286  -2.586   9.495
  288    H    LEU  35           HN       LEU  35 -21.234  -4.286   5.977
  289    HA   LEU  35           HA       LEU  35 -21.338  -6.778   4.544
  290    HB2  LEU  35           HB2      LEU  35 -22.399  -4.888   3.537
  291    HB3  LEU  35           HB1      LEU  35 -20.973  -3.893   3.745
  292    HG   LEU  35           HG       LEU  35 -19.814  -5.409   2.107
  293   HD11  LEU  35          HD11      LEU  35 -21.232  -6.698   0.587
  294   HD12  LEU  35          HD12      LEU  35 -22.625  -6.359   1.616
  295   HD13  LEU  35          HD13      LEU  35 -21.285  -7.326   2.234
  296   HD21  LEU  35          HD21      LEU  35 -20.609  -3.196   1.499
  297   HD22  LEU  35          HD22      LEU  35 -22.208  -3.854   1.150
  298   HD23  LEU  35          HD23      LEU  35 -20.825  -4.325   0.162
  299    H    VAL  36           HN       VAL  36 -18.915  -4.546   5.694
  300    HA   VAL  36           HA       VAL  36 -16.746  -5.571   4.135
  301    HB   VAL  36           HB       VAL  36 -16.834  -3.957   6.688
  302   HG11  VAL  36          HG11      VAL  36 -14.415  -4.923   5.169
  303   HG12  VAL  36          HG12      VAL  36 -14.840  -5.288   6.841
  304   HG13  VAL  36          HG13      VAL  36 -14.383  -3.647   6.386
  305   HG21  VAL  36          HG21      VAL  36 -16.000  -2.164   5.283
  306   HG22  VAL  36          HG22      VAL  36 -17.484  -2.829   4.600
  307   HG23  VAL  36          HG23      VAL  36 -15.922  -3.256   3.899
  308    H    ASP  37           HN       ASP  37 -18.000  -6.167   7.387
  309    HA   ASP  37           HA       ASP  37 -16.132  -8.046   8.255
  310    HB2  ASP  37           HB2      ASP  37 -19.094  -7.855   8.851
  311    HB3  ASP  37           HB1      ASP  37 -17.972  -8.896   9.722
  312    H    SER  38           HN       SER  38 -19.088  -8.452   6.288
  313    HA   SER  38           HA       SER  38 -19.069 -11.218   6.192
  314    HB2  SER  38           HB2      SER  38 -20.939  -9.895   5.340
  315    HB3  SER  38           HB1      SER  38 -19.933  -9.278   4.031
  316    HG   SER  38           HG       SER  38 -20.916 -10.939   3.087
  317    H    TYR  39           HN       TYR  39 -17.430  -8.863   4.106
  318    HA   TYR  39           HA       TYR  39 -16.263 -10.644   2.283
  319    HB2  TYR  39           HB2      TYR  39 -16.044  -8.476   1.560
  320    HB3  TYR  39           HB1      TYR  39 -15.720  -7.856   3.175
  321    HD1  TYR  39           HD2      TYR  39 -14.179  -9.785   0.393
  322    HD2  TYR  39           HD1      TYR  39 -13.518  -7.408   3.859
  323    HE1  TYR  39           HE2      TYR  39 -11.777  -9.716  -0.117
  324    HE2  TYR  39           HE1      TYR  39 -11.123  -7.334   3.361
  325    HH   TYR  39           HH       TYR  39  -9.455  -8.634   2.108
  326    H    ARG  40           HN       ARG  40 -15.051  -9.332   5.342
  327    HA   ARG  40           HA       ARG  40 -12.513 -10.374   5.336
  328    HB2  ARG  40           HB2      ARG  40 -14.445  -9.822   7.570
  329    HB3  ARG  40           HB1      ARG  40 -12.826 -10.431   7.895
  330    HG2  ARG  40           HG2      ARG  40 -11.847  -8.499   6.835
  331    HG3  ARG  40           HG1      ARG  40 -13.446  -7.906   6.382
  332    HD2  ARG  40           HD2      ARG  40 -14.034  -7.752   8.769
  333    HD3  ARG  40           HD1      ARG  40 -12.405  -8.281   9.188
  334    HE   ARG  40           HE       ARG  40 -12.244  -6.029   7.516
  335   HH11  ARG  40          HH11      ARG  40 -13.204  -6.908  10.749
  336   HH12  ARG  40          HH12      ARG  40 -12.831  -5.355  11.419
  337   HH21  ARG  40          HH21      ARG  40 -11.749  -3.984   8.390
  338   HH22  ARG  40          HH22      ARG  40 -12.004  -3.692  10.079
  339    H    GLN  41           HN       GLN  41 -15.507 -11.863   6.430
  340    HA   GLN  41           HA       GLN  41 -14.424 -14.264   7.384
  341    HB2  GLN  41           HB2      GLN  41 -16.727 -13.594   7.870
  342    HB3  GLN  41           HB1      GLN  41 -17.155 -13.768   6.173
  343    HG2  GLN  41           HG2      GLN  41 -16.722 -16.156   6.296
  344    HG3  GLN  41           HG1      GLN  41 -16.257 -15.992   7.988
  345   HE21  GLN  41          HE21      GLN  41 -18.884 -15.963   5.717
  346   HE22  GLN  41          HE22      GLN  41 -20.160 -16.073   6.877
  347    H    GLN  42           HN       GLN  42 -15.687 -13.400   4.188
  348    HA   GLN  42           HA       GLN  42 -15.376 -15.880   2.939
  349    HB2  GLN  42           HB2      GLN  42 -16.683 -14.190   1.872
  350    HB3  GLN  42           HB1      GLN  42 -15.330 -13.068   1.848
  351    HG2  GLN  42           HG2      GLN  42 -14.203 -14.344   0.188
  352    HG3  GLN  42           HG1      GLN  42 -15.365 -15.663   0.331
  353   HE21  GLN  42          HE21      GLN  42 -15.909 -15.589  -1.838
  354   HE22  GLN  42          HE22      GLN  42 -16.846 -14.307  -2.519
  355    H    GLN  43           HN       GLN  43 -13.102 -13.214   3.377
  356    HA   GLN  43           HA       GLN  43 -11.041 -14.506   1.830
  357    HB2  GLN  43           HB2      GLN  43 -11.173 -12.064   1.905
  358    HB3  GLN  43           HB1      GLN  43 -10.935 -12.090   3.647
  359    HG2  GLN  43           HG2      GLN  43  -8.703 -12.999   3.347
  360    HG3  GLN  43           HG1      GLN  43  -8.941 -13.034   1.601
  361   HE21  GLN  43          HE21      GLN  43  -8.641 -10.950   4.399
  362   HE22  GLN  43          HE22      GLN  43  -8.141  -9.542   3.533
  363    H    GLN  44           HN       GLN  44 -12.118 -14.458   5.093
  364    HA   GLN  44           HA       GLN  44  -9.724 -15.274   6.375
  365    HB2  GLN  44           HB2      GLN  44 -11.834 -14.314   7.459
  366    HB3  GLN  44           HB1      GLN  44 -12.518 -15.927   7.308
  367    HG2  GLN  44           HG2      GLN  44 -11.634 -15.594   9.524
  368    HG3  GLN  44           HG1      GLN  44 -10.696 -16.820   8.673
  369   HE21  GLN  44          HE21      GLN  44  -8.585 -16.365   8.057
  370   HE22  GLN  44          HE22      GLN  44  -7.704 -15.026   8.703
  371    H    LEU  45           HN       LEU  45 -12.098 -16.841   4.472
  372    HA   LEU  45           HA       LEU  45 -11.940 -19.488   5.268
  373    HB2  LEU  45           HB2      LEU  45 -13.542 -18.942   3.638
  374    HB3  LEU  45           HB1      LEU  45 -12.358 -18.168   2.604
  375    HG   LEU  45           HG       LEU  45 -11.435 -20.723   2.595
  376   HD11  LEU  45          HD11      LEU  45 -13.313 -21.534   3.923
  377   HD12  LEU  45          HD12      LEU  45 -13.332 -22.216   2.296
  378   HD13  LEU  45          HD13      LEU  45 -14.438 -20.908   2.717
  379   HD21  LEU  45          HD21      LEU  45 -11.686 -19.423   0.614
  380   HD22  LEU  45          HD22      LEU  45 -13.443 -19.402   0.783
  381   HD23  LEU  45          HD23      LEU  45 -12.613 -20.909   0.395
  382    H    LEU  46           HN       LEU  46  -9.655 -17.564   3.442
  383    HA   LEU  46           HA       LEU  46  -7.864 -19.900   3.321
  384    HB2  LEU  46           HB2      LEU  46  -7.639 -17.607   1.411
  385    HB3  LEU  46           HB1      LEU  46  -7.046 -19.248   1.238
  386    HG   LEU  46           HG       LEU  46  -9.809 -19.527   1.403
  387   HD11  LEU  46          HD11      LEU  46 -10.557 -18.034  -0.467
  388   HD12  LEU  46          HD12      LEU  46  -9.072 -17.118  -0.224
  389   HD13  LEU  46          HD13      LEU  46 -10.256 -17.233   1.075
  390   HD21  LEU  46          HD21      LEU  46  -9.562 -19.996  -1.077
  391   HD22  LEU  46          HD22      LEU  46  -8.534 -20.927   0.011
  392   HD23  LEU  46          HD23      LEU  46  -7.863 -19.564  -0.883
  393    H    GLN  47           HN       GLN  47  -7.571 -16.367   2.931
  394    HA   GLN  47           HA       GLN  47  -6.144 -14.851   3.856
  395    HB2  GLN  47           HB2      GLN  47  -7.045 -16.363   5.968
  396    HB3  GLN  47           HB1      GLN  47  -5.299 -16.501   6.129
  397    HG2  GLN  47           HG2      GLN  47  -6.061 -14.662   7.444
  398    HG3  GLN  47           HG1      GLN  47  -5.138 -14.043   6.075
  399   HE21  GLN  47          HE21      GLN  47  -6.273 -13.097   4.327
  400   HE22  GLN  47          HE22      GLN  47  -7.845 -12.418   4.559
  401    H    ARG  48           HN       ARG  48  -5.233 -17.195   2.182
  402    HA   ARG  48           HA       ARG  48  -2.386 -16.729   2.567
  403    HB2  ARG  48           HB2      ARG  48  -1.975 -19.213   2.157
  404    HB3  ARG  48           HB1      ARG  48  -2.551 -18.754   3.753
  405    HG2  ARG  48           HG2      ARG  48  -4.821 -19.405   3.105
  406    HG3  ARG  48           HG1      ARG  48  -4.214 -19.901   1.526
  407    HD2  ARG  48           HD2      ARG  48  -3.350 -21.047   4.179
  408    HD3  ARG  48           HD1      ARG  48  -4.479 -21.805   3.056
  409    HE   ARG  48           HE       ARG  48  -2.079 -21.260   1.707
  410   HH11  ARG  48          HH11      ARG  48  -3.330 -23.344   4.206
  411   HH12  ARG  48          HH12      ARG  48  -2.200 -24.617   3.887
  412   HH21  ARG  48          HH21      ARG  48  -0.589 -22.932   1.281
  413   HH22  ARG  48          HH22      ARG  48  -0.642 -24.382   2.226
  414    H    ASP   1           HT1      ASP   1   5.204  14.193 -16.910
  415    HA   ASP   1           HA       ASP   1   5.104  15.661 -14.341
  416    HB2  ASP   1           HB2      ASP   1   2.884  14.457 -16.012
  417    HB3  ASP   1           HB1      ASP   1   2.682  15.165 -14.412
  418    H    GLU   2           HN       GLU   2   6.290  14.235 -13.132
  419    HA   GLU   2           HA       GLU   2   4.989  11.873 -12.247
  420    HB2  GLU   2           HB2      GLU   2   6.641  10.218 -12.967
  421    HB3  GLU   2           HB1      GLU   2   5.869  10.973 -14.354
  422    HG2  GLU   2           HG2      GLU   2   7.808  12.389 -14.695
  423    HG3  GLU   2           HG1      GLU   2   8.579  11.700 -13.268
  424    H    ASP   3           HN       ASP   3   6.605  14.416 -11.529
  425    HA   ASP   3           HA       ASP   3   8.765  13.381  -9.936
  426    HB2  ASP   3           HB2      ASP   3   7.494  16.126  -9.867
  427    HB3  ASP   3           HB1      ASP   3   9.046  15.676  -9.169
  428    H    THR   4           HN       THR   4   8.027  15.331  -7.679
  429    HA   THR   4           HA       THR   4   6.713  13.360  -6.091
  430    HB   THR   4           HB       THR   4   6.788  16.035  -4.936
  431    HG1  THR   4           HG1      THR   4   9.089  16.031  -4.775
  432   HG21  THR   4          HG21      THR   4   7.988  14.756  -3.139
  433   HG22  THR   4          HG22      THR   4   7.799  13.315  -4.142
  434   HG23  THR   4          HG23      THR   4   6.374  14.157  -3.526
  435    H    TYR   5           HN       TYR   5   4.780  13.402  -5.173
  436    HA   TYR   5           HA       TYR   5   2.736  15.142  -6.380
  437    HB2  TYR   5           HB2      TYR   5   2.769  12.188  -5.940
  438    HB3  TYR   5           HB1      TYR   5   1.280  13.095  -6.180
  439    HD1  TYR   5           HD1      TYR   5   1.074  14.485  -8.316
  440    HD2  TYR   5           HD2      TYR   5   4.031  11.476  -7.773
  441    HE1  TYR   5           HE1      TYR   5   1.362  14.337 -10.752
  442    HE2  TYR   5           HE2      TYR   5   4.327  11.318 -10.208
  443    HH   TYR   5           HH       TYR   5   3.066  13.629 -12.360
  444    H    TYR   6           HN       TYR   6   0.763  15.296  -4.973
  445    HA   TYR   6           HA       TYR   6   1.408  14.687  -2.166
  446    HB2  TYR   6           HB2      TYR   6  -0.567  16.803  -3.046
  447    HB3  TYR   6           HB1      TYR   6   0.156  16.594  -1.457
  448    HD1  TYR   6           HD1      TYR   6   3.019  16.199  -2.330
  449    HD2  TYR   6           HD2      TYR   6   0.080  19.031  -3.528
  450    HE1  TYR   6           HE1      TYR   6   4.800  17.781  -2.910
  451    HE2  TYR   6           HE2      TYR   6   1.857  20.628  -4.119
  452    HH   TYR   6           HH       TYR   6   4.205  21.066  -3.549
  453    H    LEU   7           HN       LEU   7   0.189  13.399  -1.077
  454    HA   LEU   7           HA       LEU   7  -2.275  12.343  -2.331
  455    HB2  LEU   7           HB2      LEU   7   0.094  11.118  -1.476
  456    HB3  LEU   7           HB1      LEU   7  -1.049  10.780  -0.209
  457    HG   LEU   7           HG       LEU   7  -2.093   9.199  -1.403
  458   HD11  LEU   7          HD11      LEU   7  -3.301   9.984  -3.096
  459   HD12  LEU   7          HD12      LEU   7  -1.931   9.498  -4.102
  460   HD13  LEU   7          HD13      LEU   7  -2.079  11.168  -3.546
  461   HD21  LEU   7          HD21      LEU   7  -0.616   8.047  -2.959
  462   HD22  LEU   7          HD22      LEU   7   0.254   8.614  -1.532
  463   HD23  LEU   7          HD23      LEU   7   0.399   9.486  -3.058
  464    H    GLN   8           HN       GLN   8  -4.032  13.232  -1.270
  465    HA   GLN   8           HA       GLN   8  -3.711  13.988   1.498
  466    HB2  GLN   8           HB2      GLN   8  -5.042  15.191  -0.482
  467    HB3  GLN   8           HB1      GLN   8  -6.339  14.200   0.150
  468    HG2  GLN   8           HG2      GLN   8  -5.525  15.240   2.432
  469    HG3  GLN   8           HG1      GLN   8  -4.974  16.517   1.346
  470   HE21  GLN   8          HE21      GLN   8  -6.436  18.054   1.896
  471   HE22  GLN   8          HE22      GLN   8  -8.139  17.916   1.616
  472    H    VAL   9           HN       VAL   9  -4.052  12.594   3.047
  473    HA   VAL   9           HA       VAL   9  -5.944  10.427   2.537
  474    HB   VAL   9           HB       VAL   9  -3.240  10.267   3.853
  475   HG11  VAL   9          HG11      VAL   9  -3.813   7.874   4.314
  476   HG12  VAL   9          HG12      VAL   9  -5.495   8.288   3.981
  477   HG13  VAL   9          HG13      VAL   9  -4.645   9.058   5.321
  478   HG21  VAL   9          HG21      VAL   9  -4.466   8.695   1.593
  479   HG22  VAL   9          HG22      VAL   9  -2.814   8.552   2.195
  480   HG23  VAL   9          HG23      VAL   9  -3.341  10.040   1.410
  481    H    ARG  10           HN       ARG  10  -7.499  10.144   4.001
  482    HA   ARG  10           HA       ARG  10  -7.379  11.862   6.378
  483    HB2  ARG  10           HB2      ARG  10  -9.315  11.935   4.665
  484    HB3  ARG  10           HB1      ARG  10  -9.838  10.424   5.393
  485    HG2  ARG  10           HG2      ARG  10  -9.328  12.805   7.118
  486    HG3  ARG  10           HG1      ARG  10 -10.834  12.675   6.209
  487    HD2  ARG  10           HD2      ARG  10 -11.242  10.480   7.257
  488    HD3  ARG  10           HD1      ARG  10  -9.770  10.680   8.206
  489    HE   ARG  10           HE       ARG  10 -11.279  12.914   8.724
  490   HH11  ARG  10          HH11      ARG  10 -11.705   9.470   9.048
  491   HH12  ARG  10          HH12      ARG  10 -12.761   9.600  10.414
  492   HH21  ARG  10          HH21      ARG  10 -12.671  13.092  10.523
  493   HH22  ARG  10          HH22      ARG  10 -13.312  11.656  11.250
  494    H    GLY  11           HN       GLY  11  -7.571  11.102   8.422
  495    HA2  GLY  11           HA2      GLY  11  -7.944   9.488  10.098
  496    HA3  GLY  11           HA1      GLY  11  -8.127   8.265   8.849
  497    H    ARG  12           HN       ARG  12  -6.283   9.014  11.359
  498    HA   ARG  12           HA       ARG  12  -3.645   8.995  10.563
  499    HB2  ARG  12           HB2      ARG  12  -4.738   9.195  12.916
  500    HB3  ARG  12           HB1      ARG  12  -4.513   7.452  12.978
  501    HG2  ARG  12           HG2      ARG  12  -2.646   8.429  14.042
  502    HG3  ARG  12           HG1      ARG  12  -2.088   7.847  12.473
  503    HD2  ARG  12           HD2      ARG  12  -2.289  10.113  11.570
  504    HD3  ARG  12           HD1      ARG  12  -2.839  10.690  13.143
  505    HE   ARG  12           HE       ARG  12  -0.177   9.477  12.799
  506   HH11  ARG  12          HH11      ARG  12  -2.223  12.098  13.846
  507   HH12  ARG  12          HH12      ARG  12  -0.935  12.969  14.608
  508   HH21  ARG  12          HH21      ARG  12   1.523  10.617  13.801
  509   HH22  ARG  12          HH22      ARG  12   1.194  12.127  14.582
  510    H    GLU  13           HN       GLU  13  -5.608   6.153  11.327
  511    HA   GLU  13           HA       GLU  13  -3.699   4.188  10.919
  512    HB2  GLU  13           HB2      GLU  13  -5.906   3.683  11.825
  513    HB3  GLU  13           HB1      GLU  13  -6.650   4.045  10.274
  514    HG2  GLU  13           HG2      GLU  13  -5.541   2.150   9.263
  515    HG3  GLU  13           HG1      GLU  13  -4.692   1.814  10.771
  516    H    ASN  14           HN       ASN  14  -5.799   5.696   8.518
  517    HA   ASN  14           HA       ASN  14  -5.018   4.162   6.279
  518    HB2  ASN  14           HB2      ASN  14  -7.111   5.460   6.433
  519    HB3  ASN  14           HB1      ASN  14  -6.184   6.952   6.487
  520   HD21  ASN  14          HD21      ASN  14  -8.184   6.441   4.640
  521   HD22  ASN  14          HD22      ASN  14  -7.476   6.350   3.067
  522    H    PHE  15           HN       PHE  15  -3.992   7.318   7.532
  523    HA   PHE  15           HA       PHE  15  -2.169   7.897   5.463
  524    HB2  PHE  15           HB2      PHE  15  -3.137   9.615   6.938
  525    HB3  PHE  15           HB1      PHE  15  -2.309   8.912   8.318
  526    HD1  PHE  15           HD1      PHE  15  -1.250   9.951   4.878
  527    HD2  PHE  15           HD2      PHE  15  -0.657  10.268   9.086
  528    HE1  PHE  15           HE1      PHE  15   0.625  11.474   4.494
  529    HE2  PHE  15           HE2      PHE  15   1.251  11.782   8.695
  530    HZ   PHE  15           HZ       PHE  15   1.889  12.388   6.391
  531    H    GLU  16           HN       GLU  16  -1.662   6.538   8.712
  532    HA   GLU  16           HA       GLU  16   1.079   6.294   8.603
  533    HB2  GLU  16           HB2      GLU  16  -0.954   4.557  10.000
  534    HB3  GLU  16           HB1      GLU  16   0.780   4.392  10.244
  535    HG2  GLU  16           HG2      GLU  16   0.895   6.680  11.066
  536    HG3  GLU  16           HG1      GLU  16  -0.836   6.872  10.796
  537    H    ILE  17           HN       ILE  17  -1.352   4.159   7.232
  538    HA   ILE  17           HA       ILE  17   0.475   2.013   6.659
  539    HB   ILE  17           HB       ILE  17  -2.361   2.545   6.093
  540   HG12  ILE  17          HG12      ILE  17  -0.985  -0.097   6.489
  541   HG13  ILE  17          HG11      ILE  17  -1.237   0.998   7.842
  542   HG21  ILE  17          HG21      ILE  17  -2.502   0.838   4.325
  543   HG22  ILE  17          HG22      ILE  17  -0.740   0.766   4.267
  544   HG23  ILE  17          HG23      ILE  17  -1.579   2.248   3.801
  545   HD11  ILE  17          HD11      ILE  17  -3.637   0.907   7.478
  546   HD12  ILE  17          HD12      ILE  17  -2.966  -0.714   7.693
  547   HD13  ILE  17          HD13      ILE  17  -3.394  -0.142   6.079
  548    H    LEU  18           HN       LEU  18  -0.811   4.786   4.861
  549    HA   LEU  18           HA       LEU  18   0.473   4.082   2.361
  550    HB2  LEU  18           HB2      LEU  18  -1.159   6.360   3.407
  551    HB3  LEU  18           HB1      LEU  18  -0.249   6.529   1.918
  552    HG   LEU  18           HG       LEU  18  -2.029   4.165   2.129
  553   HD11  LEU  18          HD11      LEU  18  -3.191   6.820   1.392
  554   HD12  LEU  18          HD12      LEU  18  -3.242   6.238   3.054
  555   HD13  LEU  18          HD13      LEU  18  -4.018   5.310   1.771
  556   HD21  LEU  18          HD21      LEU  18  -1.129   6.092   0.015
  557   HD22  LEU  18          HD22      LEU  18  -2.470   4.979  -0.252
  558   HD23  LEU  18          HD23      LEU  18  -0.864   4.351   0.111
  559    H    MET  19           HN       MET  19   1.155   6.019   5.194
  560    HA   MET  19           HA       MET  19   3.251   7.519   3.958
  561    HB2  MET  19           HB2      MET  19   1.772   8.060   6.118
  562    HB3  MET  19           HB1      MET  19   3.041   7.173   6.942
  563    HG2  MET  19           HG2      MET  19   3.320   9.706   5.361
  564    HG3  MET  19           HG1      MET  19   3.476   9.501   7.099
  565    HE1  MET  19           HE1      MET  19   6.960  10.376   5.187
  566    HE2  MET  19           HE2      MET  19   5.883  11.026   6.422
  567    HE3  MET  19           HE3      MET  19   5.301  10.809   4.768
  568    H    LYS  20           HN       LYS  20   3.036   4.595   5.939
  569    HA   LYS  20           HA       LYS  20   5.867   4.310   6.196
  570    HB2  LYS  20           HB2      LYS  20   3.869   3.181   7.503
  571    HB3  LYS  20           HB1      LYS  20   3.967   1.998   6.209
  572    HG2  LYS  20           HG2      LYS  20   6.402   2.767   7.766
  573    HG3  LYS  20           HG1      LYS  20   5.262   1.572   8.388
  574    HD2  LYS  20           HD2      LYS  20   5.529   0.366   6.180
  575    HD3  LYS  20           HD1      LYS  20   6.881   1.452   5.854
  576    HE2  LYS  20           HE2      LYS  20   6.670  -0.298   8.296
  577    HE3  LYS  20           HE1      LYS  20   7.528  -0.757   6.827
  578    HZ1  LYS  20           HZ1      LYS  20   8.984   1.140   7.116
  579    HZ2  LYS  20           HZ2      LYS  20   9.020   0.165   8.497
  580    HZ3  LYS  20           HZ3      LYS  20   8.146   1.613   8.508
  581    H    LEU  21           HN       LEU  21   3.427   3.636   3.841
  582    HA   LEU  21           HA       LEU  21   5.044   1.858   2.273
  583    HB2  LEU  21           HB2      LEU  21   2.769   1.460   1.993
  584    HB3  LEU  21           HB1      LEU  21   2.380   3.165   1.883
  585    HG   LEU  21           HG       LEU  21   3.149   3.293  -0.368
  586   HD11  LEU  21          HD11      LEU  21   4.948   2.135  -0.940
  587   HD12  LEU  21          HD12      LEU  21   3.868   0.764  -1.195
  588   HD13  LEU  21          HD13      LEU  21   4.699   0.961   0.348
  589   HD21  LEU  21          HD21      LEU  21   0.963   2.440  -0.312
  590   HD22  LEU  21          HD22      LEU  21   1.515   0.842   0.189
  591   HD23  LEU  21          HD23      LEU  21   1.835   1.411  -1.449
  592    H    LYS  22           HN       LYS  22   4.197   5.289   2.141
  593    HA   LYS  22           HA       LYS  22   5.299   5.935  -0.335
  594    HB2  LYS  22           HB2      LYS  22   4.126   7.708   0.494
  595    HB3  LYS  22           HB1      LYS  22   4.549   7.346   2.157
  596    HG2  LYS  22           HG2      LYS  22   6.935   8.210   1.235
  597    HG3  LYS  22           HG1      LYS  22   5.835   9.144   0.220
  598    HD2  LYS  22           HD2      LYS  22   4.829   9.186   2.872
  599    HD3  LYS  22           HD1      LYS  22   6.547   9.575   2.940
  600    HE2  LYS  22           HE2      LYS  22   6.243  11.338   1.312
  601    HE3  LYS  22           HE1      LYS  22   4.542  10.913   1.129
  602    HZ1  LYS  22           HZ1      LYS  22   4.190  11.522   3.447
  603    HZ2  LYS  22           HZ2      LYS  22   4.814  12.824   2.567
  604    HZ3  LYS  22           HZ3      LYS  22   5.820  11.944   3.603
  605    H    GLU  23           HN       GLU  23   6.673   5.640   2.868
  606    HA   GLU  23           HA       GLU  23   9.300   6.494   2.223
  607    HB2  GLU  23           HB2      GLU  23   8.775   6.510   4.512
  608    HB3  GLU  23           HB1      GLU  23   8.054   4.911   4.453
  609    HG2  GLU  23           HG2      GLU  23  10.192   3.876   4.302
  610    HG3  GLU  23           HG1      GLU  23  10.991   5.437   4.122
  611    H    SER  24           HN       SER  24   7.838   3.221   2.390
  612    HA   SER  24           HA       SER  24  10.124   1.834   1.656
  613    HB2  SER  24           HB2      SER  24   7.400   0.964   0.780
  614    HB3  SER  24           HB1      SER  24   8.763  -0.019   1.305
  615    HG   SER  24           HG       SER  24   7.991   0.109   3.240
  616    H    LEU  25           HN       LEU  25   7.552   3.138  -0.446
  617    HA   LEU  25           HA       LEU  25   8.580   2.063  -2.899
  618    HB2  LEU  25           HB2      LEU  25   6.535   4.084  -2.118
  619    HB3  LEU  25           HB1      LEU  25   7.149   4.110  -3.756
  620    HG   LEU  25           HG       LEU  25   5.921   1.659  -2.511
  621   HD11  LEU  25          HD11      LEU  25   4.313   3.540  -2.585
  622   HD12  LEU  25          HD12      LEU  25   3.881   2.217  -3.667
  623   HD13  LEU  25          HD13      LEU  25   4.609   3.686  -4.319
  624   HD21  LEU  25          HD21      LEU  25   6.471   2.437  -5.375
  625   HD22  LEU  25          HD22      LEU  25   5.689   0.949  -4.833
  626   HD23  LEU  25          HD23      LEU  25   7.381   1.252  -4.426
  627    H    GLU  26           HN       GLU  26   8.843   5.220  -1.334
  628    HA   GLU  26           HA       GLU  26  10.364   6.318  -3.456
  629    HB2  GLU  26           HB2      GLU  26   9.882   7.192  -0.621
  630    HB3  GLU  26           HB1      GLU  26  11.057   8.040  -1.617
  631    HG2  GLU  26           HG2      GLU  26   9.300   8.488  -3.274
  632    HG3  GLU  26           HG1      GLU  26   8.132   7.684  -2.227
  633    H    LEU  27           HN       LEU  27  11.277   4.706  -0.446
  634    HA   LEU  27           HA       LEU  27  14.077   5.168  -0.694
  635    HB2  LEU  27           HB2      LEU  27  12.399   3.195   0.808
  636    HB3  LEU  27           HB1      LEU  27  14.145   3.067   0.778
  637    HG   LEU  27           HG       LEU  27  12.761   5.562   1.713
  638   HD11  LEU  27          HD11      LEU  27  13.652   3.222   3.393
  639   HD12  LEU  27          HD12      LEU  27  11.974   3.619   3.023
  640   HD13  LEU  27          HD13      LEU  27  12.954   4.734   3.975
  641   HD21  LEU  27          HD21      LEU  27  14.879   5.921   2.871
  642   HD22  LEU  27          HD22      LEU  27  15.139   5.729   1.138
  643   HD23  LEU  27          HD23      LEU  27  15.494   4.393   2.236
  644    H    MET  28           HN       MET  28  11.951   3.043  -2.420
  645    HA   MET  28           HA       MET  28  13.860   1.015  -2.811
  646    HB2  MET  28           HB2      MET  28  11.257   1.670  -4.044
  647    HB3  MET  28           HB1      MET  28  12.357   0.797  -5.101
  648    HG2  MET  28           HG2      MET  28  10.711  -0.554  -3.703
  649    HG3  MET  28           HG1      MET  28  12.391  -1.075  -3.722
  650    HE1  MET  28           HE1      MET  28  14.111   0.059  -1.387
  651    HE2  MET  28           HE2      MET  28  13.681  -1.513  -2.057
  652    HE3  MET  28           HE3      MET  28  13.479  -1.204  -0.333
  653    H    GLU  29           HN       GLU  29  13.915   4.151  -3.865
  654    HA   GLU  29           HA       GLU  29  15.402   3.618  -6.305
  655    HB2  GLU  29           HB2      GLU  29  15.243   5.904  -6.732
  656    HB3  GLU  29           HB1      GLU  29  13.711   5.518  -5.960
  657    HG2  GLU  29           HG2      GLU  29  14.671   6.325  -3.809
  658    HG3  GLU  29           HG1      GLU  29  16.097   6.850  -4.702
  659    H    LEU  30           HN       LEU  30  16.015   4.022  -2.952
  660    HA   LEU  30           HA       LEU  30  18.711   5.033  -3.467
  661    HB2  LEU  30           HB2      LEU  30  18.571   6.150  -1.556
  662    HB3  LEU  30           HB1      LEU  30  16.860   5.796  -1.626
  663    HG   LEU  30           HG       LEU  30  18.871   4.139  -0.126
  664   HD11  LEU  30          HD11      LEU  30  18.704   6.387   0.810
  665   HD12  LEU  30          HD12      LEU  30  17.963   5.201   1.884
  666   HD13  LEU  30          HD13      LEU  30  16.949   6.234   0.875
  667   HD21  LEU  30          HD21      LEU  30  15.874   4.100  -0.250
  668   HD22  LEU  30          HD22      LEU  30  16.794   3.325   1.033
  669   HD23  LEU  30          HD23      LEU  30  16.992   2.792  -0.636
  670    H    VAL  31           HN       VAL  31  17.278   2.143  -3.289
  671    HA   VAL  31           HA       VAL  31  19.519   0.875  -1.881
  672    HB   VAL  31           HB       VAL  31  17.514  -0.047  -1.045
  673   HG11  VAL  31          HG11      VAL  31  15.980   0.748  -2.752
  674   HG12  VAL  31          HG12      VAL  31  15.741  -0.974  -2.445
  675   HG13  VAL  31          HG13      VAL  31  16.607  -0.446  -3.890
  676   HG21  VAL  31          HG21      VAL  31  17.537  -2.410  -2.153
  677   HG22  VAL  31          HG22      VAL  31  18.940  -1.839  -1.253
  678   HG23  VAL  31          HG23      VAL  31  18.937  -1.780  -3.015
  679    HA   PRO  32           HA       PRO  32  21.592   0.284  -5.770
  680    HB2  PRO  32           HB2      PRO  32  22.363  -2.263  -4.380
  681    HB3  PRO  32           HB1      PRO  32  23.374  -1.149  -5.309
  682    HG2  PRO  32           HG2      PRO  32  23.379  -1.114  -2.635
  683    HG3  PRO  32           HG1      PRO  32  23.516   0.380  -3.579
  684    HD2  PRO  32           HD2      PRO  32  21.239  -0.640  -1.986
  685    HD3  PRO  32           HD1      PRO  32  21.647   1.029  -2.434
  686    H    GLN  33           HN       GLN  33  20.639  -0.417  -7.564
  687    HA   GLN  33           HA       GLN  33  18.397  -1.985  -7.717
  688    HB2  GLN  33           HB2      GLN  33  20.447  -1.638  -9.903
  689    HB3  GLN  33           HB1      GLN  33  18.754  -2.066 -10.113
  690    HG2  GLN  33           HG2      GLN  33  18.111   0.109  -9.166
  691    HG3  GLN  33           HG1      GLN  33  19.817   0.534  -9.037
  692   HE21  GLN  33          HE21      GLN  33  20.496  -0.811 -11.541
  693   HE22  GLN  33          HE22      GLN  33  19.919   0.215 -12.805
  694    HA   PRO  34           HA       PRO  34  21.115  -5.755  -9.158
  695    HB2  PRO  34           HB2      PRO  34  23.564  -5.871  -7.847
  696    HB3  PRO  34           HB1      PRO  34  23.328  -5.373  -9.525
  697    HG2  PRO  34           HG2      PRO  34  23.644  -3.694  -7.075
  698    HG3  PRO  34           HG1      PRO  34  24.289  -3.434  -8.706
  699    HD2  PRO  34           HD2      PRO  34  22.160  -2.077  -7.804
  700    HD3  PRO  34           HD1      PRO  34  22.283  -2.588  -9.500
  701    H    LEU  35           HN       LEU  35  21.230  -4.288  -5.982
  702    HA   LEU  35           HA       LEU  35  21.336  -6.780  -4.548
  703    HB2  LEU  35           HB2      LEU  35  22.397  -4.890  -3.541
  704    HB3  LEU  35           HB1      LEU  35  20.972  -3.894  -3.750
  705    HG   LEU  35           HG       LEU  35  19.813  -5.409  -2.110
  706   HD11  LEU  35          HD11      LEU  35  21.232  -6.699  -0.591
  707   HD12  LEU  35          HD12      LEU  35  22.624  -6.360  -1.621
  708   HD13  LEU  35          HD13      LEU  35  21.284  -7.326  -2.239
  709   HD21  LEU  35          HD21      LEU  35  20.610  -3.196  -1.504
  710   HD22  LEU  35          HD22      LEU  35  22.208  -3.856  -1.156
  711   HD23  LEU  35          HD23      LEU  35  20.826  -4.325  -0.166
  712    H    VAL  36           HN       VAL  36  18.914  -4.548  -5.698
  713    HA   VAL  36           HA       VAL  36  16.744  -5.571  -4.138
  714    HB   VAL  36           HB       VAL  36  16.832  -3.960  -6.691
  715   HG11  VAL  36          HG11      VAL  36  14.413  -4.924  -5.172
  716   HG12  VAL  36          HG12      VAL  36  14.837  -5.290  -6.843
  717   HG13  VAL  36          HG13      VAL  36  14.381  -3.648  -6.389
  718   HG21  VAL  36          HG21      VAL  36  15.997  -2.167  -5.286
  719   HG22  VAL  36          HG22      VAL  36  17.482  -2.829  -4.604
  720   HG23  VAL  36          HG23      VAL  36  15.921  -3.257  -3.902
  721    H    ASP  37           HN       ASP  37  17.996  -6.169  -7.389
  722    HA   ASP  37           HA       ASP  37  16.128  -8.048  -8.256
  723    HB2  ASP  37           HB2      ASP  37  19.090  -7.858  -8.853
  724    HB3  ASP  37           HB1      ASP  37  17.967  -8.899  -9.723
  725    H    SER  38           HN       SER  38  19.084  -8.453  -6.290
  726    HA   SER  38           HA       SER  38  19.065 -11.219  -6.195
  727    HB2  SER  38           HB2      SER  38  20.936  -9.896  -5.343
  728    HB3  SER  38           HB1      SER  38  19.931  -9.279  -4.033
  729    HG   SER  38           HG       SER  38  20.916 -10.940  -3.091
  730    H    TYR  39           HN       TYR  39  17.427  -8.864  -4.107
  731    HA   TYR  39           HA       TYR  39  16.261 -10.645  -2.283
  732    HB2  TYR  39           HB2      TYR  39  16.043  -8.477  -1.560
  733    HB3  TYR  39           HB1      TYR  39  15.719  -7.857  -3.176
  734    HD1  TYR  39           HD2      TYR  39  14.179  -9.785  -0.392
  735    HD2  TYR  39           HD1      TYR  39  13.517  -7.409  -3.859
  736    HE1  TYR  39           HE2      TYR  39  11.777  -9.716   0.117
  737    HE2  TYR  39           HE1      TYR  39  11.122  -7.335  -3.361
  738    HH   TYR  39           HH       TYR  39   9.454  -8.635  -2.108
  739    H    ARG  40           HN       ARG  40  15.048  -9.333  -5.343
  740    HA   ARG  40           HA       ARG  40  12.510 -10.375  -5.336
  741    HB2  ARG  40           HB2      ARG  40  14.442  -9.823  -7.570
  742    HB3  ARG  40           HB1      ARG  40  12.823 -10.432  -7.895
  743    HG2  ARG  40           HG2      ARG  40  11.843  -8.500  -6.834
  744    HG3  ARG  40           HG1      ARG  40  13.443  -7.906  -6.383
  745    HD2  ARG  40           HD2      ARG  40  14.029  -7.754  -8.771
  746    HD3  ARG  40           HD1      ARG  40  12.400  -8.282  -9.187
  747    HE   ARG  40           HE       ARG  40  12.241  -6.029  -7.516
  748   HH11  ARG  40          HH11      ARG  40  13.198  -6.910 -10.749
  749   HH12  ARG  40          HH12      ARG  40  12.825  -5.357 -11.420
  750   HH21  ARG  40          HH21      ARG  40  11.745  -3.984  -8.391
  751   HH22  ARG  40          HH22      ARG  40  11.999  -3.694 -10.079
  752    H    GLN  41           HN       GLN  41  15.503 -11.864  -6.429
  753    HA   GLN  41           HA       GLN  41  14.420 -14.265  -7.385
  754    HB2  GLN  41           HB2      GLN  41  16.722 -13.596  -7.873
  755    HB3  GLN  41           HB1      GLN  41  17.151 -13.769  -6.176
  756    HG2  GLN  41           HG2      GLN  41  16.719 -16.158  -6.297
  757    HG3  GLN  41           HG1      GLN  41  16.253 -15.995  -7.989
  758   HE21  GLN  41          HE21      GLN  41  18.882 -15.965  -5.719
  759   HE22  GLN  41          HE22      GLN  41  20.156 -16.074  -6.880
  760    H    GLN  42           HN       GLN  42  15.685 -13.401  -4.190
  761    HA   GLN  42           HA       GLN  42  15.373 -15.881  -2.940
  762    HB2  GLN  42           HB2      GLN  42  16.682 -14.191  -1.874
  763    HB3  GLN  42           HB1      GLN  42  15.329 -13.069  -1.849
  764    HG2  GLN  42           HG2      GLN  42  14.202 -14.344  -0.189
  765    HG3  GLN  42           HG1      GLN  42  15.363 -15.663  -0.331
  766   HE21  GLN  42          HE21      GLN  42  15.910 -15.588   1.837
  767   HE22  GLN  42          HE22      GLN  42  16.848 -14.306   2.516
  768    H    GLN  43           HN       GLN  43  13.101 -13.214  -3.375
  769    HA   GLN  43           HA       GLN  43  11.039 -14.508  -1.830
  770    HB2  GLN  43           HB2      GLN  43  11.171 -12.065  -1.904
  771    HB3  GLN  43           HB1      GLN  43  10.933 -12.091  -3.646
  772    HG2  GLN  43           HG2      GLN  43   8.700 -13.001  -3.345
  773    HG3  GLN  43           HG1      GLN  43   8.939 -13.036  -1.599
  774   HE21  GLN  43          HE21      GLN  43   8.638 -10.952  -4.398
  775   HE22  GLN  43          HE22      GLN  43   8.139  -9.543  -3.532
  776    H    GLN  44           HN       GLN  44  12.116 -14.459  -5.094
  777    HA   GLN  44           HA       GLN  44   9.721 -15.276  -6.374
  778    HB2  GLN  44           HB2      GLN  44  11.829 -14.314  -7.459
  779    HB3  GLN  44           HB1      GLN  44  12.515 -15.926  -7.308
  780    HG2  GLN  44           HG2      GLN  44  11.630 -15.595  -9.524
  781    HG3  GLN  44           HG1      GLN  44  10.692 -16.821  -8.672
  782   HE21  GLN  44          HE21      GLN  44   8.582 -16.367  -8.056
  783   HE22  GLN  44          HE22      GLN  44   7.699 -15.029  -8.702
  784    H    LEU  45           HN       LEU  45  12.093 -16.842  -4.469
  785    HA   LEU  45           HA       LEU  45  11.935 -19.489  -5.267
  786    HB2  LEU  45           HB2      LEU  45  13.539 -18.945  -3.639
  787    HB3  LEU  45           HB1      LEU  45  12.357 -18.170  -2.604
  788    HG   LEU  45           HG       LEU  45  11.434 -20.726  -2.594
  789   HD11  LEU  45          HD11      LEU  45  13.312 -21.535  -3.923
  790   HD12  LEU  45          HD12      LEU  45  13.331 -22.218  -2.297
  791   HD13  LEU  45          HD13      LEU  45  14.437 -20.910  -2.717
  792   HD21  LEU  45          HD21      LEU  45  11.685 -19.424  -0.614
  793   HD22  LEU  45          HD22      LEU  45  13.441 -19.404  -0.783
  794   HD23  LEU  45          HD23      LEU  45  12.611 -20.910  -0.394
  795    H    LEU  46           HN       LEU  46   9.652 -17.564  -3.439
  796    HA   LEU  46           HA       LEU  46   7.861 -19.900  -3.318
  797    HB2  LEU  46           HB2      LEU  46   7.637 -17.607  -1.407
  798    HB3  LEU  46           HB1      LEU  46   7.044 -19.249  -1.234
  799    HG   LEU  46           HG       LEU  46   9.806 -19.528  -1.401
  800   HD11  LEU  46          HD11      LEU  46  10.556 -18.034   0.467
  801   HD12  LEU  46          HD12      LEU  46   9.071 -17.118   0.225
  802   HD13  LEU  46          HD13      LEU  46  10.254 -17.234  -1.074
  803   HD21  LEU  46          HD21      LEU  46   9.562 -19.998   1.079
  804   HD22  LEU  46          HD22      LEU  46   8.532 -20.928  -0.009
  805   HD23  LEU  46          HD23      LEU  46   7.863 -19.565   0.886
  806    H    GLN  47           HN       GLN  47   7.567 -16.368  -2.928
  807    HA   GLN  47           HA       GLN  47   6.142 -14.852  -3.855
  808    HB2  GLN  47           HB2      GLN  47   7.044 -16.364  -5.966
  809    HB3  GLN  47           HB1      GLN  47   5.298 -16.503  -6.128
  810    HG2  GLN  47           HG2      GLN  47   6.058 -14.663  -7.442
  811    HG3  GLN  47           HG1      GLN  47   5.135 -14.044  -6.073
  812   HE21  GLN  47          HE21      GLN  47   6.271 -13.100  -4.325
  813   HE22  GLN  47          HE22      GLN  47   7.842 -12.420  -4.557
  814    H    ARG  48           HN       ARG  48   5.231 -17.197  -2.178
  815    HA   ARG  48           HA       ARG  48   2.384 -16.729  -2.563
  816    HB2  ARG  48           HB2      ARG  48   1.973 -19.213  -2.152
  817    HB3  ARG  48           HB1      ARG  48   2.547 -18.754  -3.748
  818    HG2  ARG  48           HG2      ARG  48   4.818 -19.405  -3.104
  819    HG3  ARG  48           HG1      ARG  48   4.214 -19.900  -1.522
  820    HD2  ARG  48           HD2      ARG  48   3.349 -21.049  -4.174
  821    HD3  ARG  48           HD1      ARG  48   4.477 -21.805  -3.051
  822    HE   ARG  48           HE       ARG  48   2.077 -21.260  -1.703
  823   HH11  ARG  48          HH11      ARG  48   3.328 -23.344  -4.201
  824   HH12  ARG  48          HH12      ARG  48   2.198 -24.618  -3.881
  825   HH21  ARG  48          HH21      ARG  48   0.588 -22.933  -1.276
  826   HH22  ARG  48          HH22      ARG  48   0.641 -24.384  -2.221
  827    H    ASP   1           HT1      ASP   1  -5.202 -14.194 -16.909
  828    HA   ASP   1           HA       ASP   1  -5.102 -15.663 -14.339
  829    HB2  ASP   1           HB2      ASP   1  -2.881 -14.457 -16.008
  830    HB3  ASP   1           HB1      ASP   1  -2.682 -15.167 -14.409
  831    H    GLU   2           HN       GLU   2  -6.287 -14.238 -13.128
  832    HA   GLU   2           HA       GLU   2  -4.988 -11.874 -12.247
  833    HB2  GLU   2           HB2      GLU   2  -6.642 -10.221 -12.965
  834    HB3  GLU   2           HB1      GLU   2  -5.869 -10.975 -14.352
  835    HG2  GLU   2           HG2      GLU   2  -7.808 -12.392 -14.693
  836    HG3  GLU   2           HG1      GLU   2  -8.580 -11.704 -13.266
  837    H    ASP   3           HN       ASP   3  -6.603 -14.419 -11.528
  838    HA   ASP   3           HA       ASP   3  -8.762 -13.385  -9.934
  839    HB2  ASP   3           HB2      ASP   3  -7.491 -16.129  -9.864
  840    HB3  ASP   3           HB1      ASP   3  -9.043 -15.679  -9.165
  841    H    THR   4           HN       THR   4  -8.024 -15.333  -7.677
  842    HA   THR   4           HA       THR   4  -6.711 -13.362  -6.090
  843    HB   THR   4           HB       THR   4  -6.784 -16.037  -4.934
  844    HG1  THR   4           HG1      THR   4  -9.085 -16.035  -4.773
  845   HG21  THR   4          HG21      THR   4  -7.985 -14.757  -3.137
  846   HG22  THR   4          HG22      THR   4  -7.797 -13.317  -4.142
  847   HG23  THR   4          HG23      THR   4  -6.371 -14.157  -3.525
  848    H    TYR   5           HN       TYR   5  -4.777 -13.401  -5.172
  849    HA   TYR   5           HA       TYR   5  -2.733 -15.141  -6.379
  850    HB2  TYR   5           HB2      TYR   5  -2.767 -12.186  -5.938
  851    HB3  TYR   5           HB1      TYR   5  -1.278 -13.094  -6.179
  852    HD1  TYR   5           HD1      TYR   5  -1.070 -14.482  -8.314
  853    HD2  TYR   5           HD2      TYR   5  -4.030 -11.476  -7.773
  854    HE1  TYR   5           HE1      TYR   5  -1.359 -14.337 -10.750
  855    HE2  TYR   5           HE2      TYR   5  -4.326 -11.319 -10.208
  856    HH   TYR   5           HH       TYR   5  -3.066 -13.629 -12.360
  857    H    TYR   6           HN       TYR   6  -0.761 -15.295  -4.972
  858    HA   TYR   6           HA       TYR   6  -1.407 -14.685  -2.165
  859    HB2  TYR   6           HB2      TYR   6   0.571 -16.800  -3.043
  860    HB3  TYR   6           HB1      TYR   6  -0.154 -16.591  -1.455
  861    HD1  TYR   6           HD1      TYR   6  -3.015 -16.199  -2.327
  862    HD2  TYR   6           HD2      TYR   6  -0.075 -19.028  -3.528
  863    HE1  TYR   6           HE1      TYR   6  -4.796 -17.782  -2.906
  864    HE2  TYR   6           HE2      TYR   6  -1.850 -20.626  -4.118
  865    HH   TYR   6           HH       TYR   6  -4.198 -21.066  -3.546
  866    H    LEU   7           HN       LEU   7  -0.188 -13.397  -1.076
  867    HA   LEU   7           HA       LEU   7   2.276 -12.340  -2.331
  868    HB2  LEU   7           HB2      LEU   7  -0.092 -11.116  -1.475
  869    HB3  LEU   7           HB1      LEU   7   1.051 -10.776  -0.209
  870    HG   LEU   7           HG       LEU   7   2.094  -9.195  -1.403
  871   HD11  LEU   7          HD11      LEU   7   3.302  -9.980  -3.096
  872   HD12  LEU   7          HD12      LEU   7   1.933  -9.494  -4.102
  873   HD13  LEU   7          HD13      LEU   7   2.080 -11.164  -3.547
  874   HD21  LEU   7          HD21      LEU   7   0.616  -8.044  -2.959
  875   HD22  LEU   7          HD22      LEU   7  -0.253  -8.612  -1.533
  876   HD23  LEU   7          HD23      LEU   7  -0.398  -9.484  -3.059
  877    H    GLN   8           HN       GLN   8   4.035 -13.229  -1.270
  878    HA   GLN   8           HA       GLN   8   3.714 -13.984   1.497
  879    HB2  GLN   8           HB2      GLN   8   5.045 -15.189  -0.480
  880    HB3  GLN   8           HB1      GLN   8   6.342 -14.197   0.149
  881    HG2  GLN   8           HG2      GLN   8   5.530 -15.235   2.433
  882    HG3  GLN   8           HG1      GLN   8   4.978 -16.513   1.348
  883   HE21  GLN   8          HE21      GLN   8   6.439 -18.050   1.895
  884   HE22  GLN   8          HE22      GLN   8   8.142 -17.913   1.617
  885    H    VAL   9           HN       VAL   9   4.054 -12.590   3.045
  886    HA   VAL   9           HA       VAL   9   5.946 -10.423   2.537
  887    HB   VAL   9           HB       VAL   9   3.243 -10.263   3.853
  888   HG11  VAL   9          HG11      VAL   9   3.815  -7.870   4.315
  889   HG12  VAL   9          HG12      VAL   9   5.498  -8.283   3.983
  890   HG13  VAL   9          HG13      VAL   9   4.647  -9.053   5.322
  891   HG21  VAL   9          HG21      VAL   9   4.468  -8.690   1.593
  892   HG22  VAL   9          HG22      VAL   9   2.816  -8.549   2.195
  893   HG23  VAL   9          HG23      VAL   9   3.345 -10.037   1.411
  894    H    ARG  10           HN       ARG  10   7.502 -10.139   4.000
  895    HA   ARG  10           HA       ARG  10   7.382 -11.856   6.377
  896    HB2  ARG  10           HB2      ARG  10   9.319 -11.927   4.664
  897    HB3  ARG  10           HB1      ARG  10   9.841 -10.416   5.393
  898    HG2  ARG  10           HG2      ARG  10   9.332 -12.798   7.117
  899    HG3  ARG  10           HG1      ARG  10  10.838 -12.667   6.207
  900    HD2  ARG  10           HD2      ARG  10  11.246 -10.473   7.256
  901    HD3  ARG  10           HD1      ARG  10   9.774 -10.673   8.205
  902    HE   ARG  10           HE       ARG  10  11.284 -12.906   8.724
  903   HH11  ARG  10          HH11      ARG  10  11.707  -9.462   9.044
  904   HH12  ARG  10          HH12      ARG  10  12.762  -9.588  10.411
  905   HH21  ARG  10          HH21      ARG  10  12.676 -13.082  10.524
  906   HH22  ARG  10          HH22      ARG  10  13.315 -11.645  11.251
  907    H    GLY  11           HN       GLY  11   7.575 -11.096   8.423
  908    HA2  GLY  11           HA2      GLY  11   7.947  -9.481  10.098
  909    HA3  GLY  11           HA1      GLY  11   8.129  -8.259   8.848
  910    H    ARG  12           HN       ARG  12   6.286  -9.008  11.358
  911    HA   ARG  12           HA       ARG  12   3.647  -8.990  10.563
  912    HB2  ARG  12           HB2      ARG  12   4.741  -9.189  12.916
  913    HB3  ARG  12           HB1      ARG  12   4.515  -7.446  12.978
  914    HG2  ARG  12           HG2      ARG  12   2.648  -8.423  14.042
  915    HG3  ARG  12           HG1      ARG  12   2.090  -7.842  12.473
  916    HD2  ARG  12           HD2      ARG  12   2.293 -10.108  11.571
  917    HD3  ARG  12           HD1      ARG  12   2.843 -10.684  13.143
  918    HE   ARG  12           HE       ARG  12   0.180  -9.474  12.800
  919   HH11  ARG  12          HH11      ARG  12   2.228 -12.093  13.846
  920   HH12  ARG  12          HH12      ARG  12   0.941 -12.964  14.609
  921   HH21  ARG  12          HH21      ARG  12  -1.519 -10.614  13.803
  922   HH22  ARG  12          HH22      ARG  12  -1.189 -12.124  14.584
  923    H    GLU  13           HN       GLU  13   5.610  -6.148  11.325
  924    HA   GLU  13           HA       GLU  13   3.700  -4.184  10.919
  925    HB2  GLU  13           HB2      GLU  13   5.908  -3.677  11.824
  926    HB3  GLU  13           HB1      GLU  13   6.651  -4.038  10.272
  927    HG2  GLU  13           HG2      GLU  13   5.540  -2.145   9.261
  928    HG3  GLU  13           HG1      GLU  13   4.691  -1.809  10.769
  929    H    ASN  14           HN       ASN  14   5.800  -5.691   8.518
  930    HA   ASN  14           HA       ASN  14   5.018  -4.157   6.279
  931    HB2  ASN  14           HB2      ASN  14   7.111  -5.454   6.432
  932    HB3  ASN  14           HB1      ASN  14   6.185  -6.947   6.487
  933   HD21  ASN  14          HD21      ASN  14   8.184  -6.432   4.639
  934   HD22  ASN  14          HD22      ASN  14   7.474  -6.344   3.066
  935    H    PHE  15           HN       PHE  15   3.993  -7.313   7.532
  936    HA   PHE  15           HA       PHE  15   2.171  -7.893   5.463
  937    HB2  PHE  15           HB2      PHE  15   3.140  -9.610   6.937
  938    HB3  PHE  15           HB1      PHE  15   2.311  -8.909   8.318
  939    HD1  PHE  15           HD1      PHE  15   1.253  -9.948   4.877
  940    HD2  PHE  15           HD2      PHE  15   0.661 -10.265   9.086
  941    HE1  PHE  15           HE1      PHE  15  -0.623 -11.471   4.494
  942    HE2  PHE  15           HE2      PHE  15  -1.247 -11.779   8.696
  943    HZ   PHE  15           HZ       PHE  15  -1.886 -12.386   6.392
  944    H    GLU  16           HN       GLU  16   1.662  -6.535   8.712
  945    HA   GLU  16           HA       GLU  16  -1.079  -6.290   8.603
  946    HB2  GLU  16           HB2      GLU  16   0.955  -4.553   9.999
  947    HB3  GLU  16           HB1      GLU  16  -0.779  -4.388  10.244
  948    HG2  GLU  16           HG2      GLU  16  -0.893  -6.676  11.065
  949    HG3  GLU  16           HG1      GLU  16   0.838  -6.867  10.794
  950    H    ILE  17           HN       ILE  17   1.352  -4.156   7.231
  951    HA   ILE  17           HA       ILE  17  -0.476  -2.010   6.658
  952    HB   ILE  17           HB       ILE  17   2.360  -2.541   6.094
  953   HG12  ILE  17          HG12      ILE  17   0.984   0.100   6.487
  954   HG13  ILE  17          HG11      ILE  17   1.234  -0.994   7.841
  955   HG21  ILE  17          HG21      ILE  17   2.501  -0.836   4.324
  956   HG22  ILE  17          HG22      ILE  17   0.739  -0.765   4.266
  957   HG23  ILE  17          HG23      ILE  17   1.579  -2.247   3.801
  958   HD11  ILE  17          HD11      ILE  17   3.635  -0.903   7.477
  959   HD12  ILE  17          HD12      ILE  17   2.964   0.717   7.692
  960   HD13  ILE  17          HD13      ILE  17   3.392   0.147   6.078
  961    H    LEU  18           HN       LEU  18   0.810  -4.783   4.860
  962    HA   LEU  18           HA       LEU  18  -0.474  -4.080   2.361
  963    HB2  LEU  18           HB2      LEU  18   1.160  -6.356   3.406
  964    HB3  LEU  18           HB1      LEU  18   0.251  -6.526   1.918
  965    HG   LEU  18           HG       LEU  18   2.028  -4.161   2.127
  966   HD11  LEU  18          HD11      LEU  18   3.193  -6.816   1.392
  967   HD12  LEU  18          HD12      LEU  18   3.242  -6.233   3.055
  968   HD13  LEU  18          HD13      LEU  18   4.018  -5.305   1.772
  969   HD21  LEU  18          HD21      LEU  18   1.128  -6.091   0.016
  970   HD22  LEU  18          HD22      LEU  18   2.468  -4.977  -0.254
  971   HD23  LEU  18          HD23      LEU  18   0.862  -4.350   0.111
  972    H    MET  19           HN       MET  19  -1.154  -6.016   5.194
  973    HA   MET  19           HA       MET  19  -3.250  -7.518   3.959
  974    HB2  MET  19           HB2      MET  19  -1.770  -8.059   6.117
  975    HB3  MET  19           HB1      MET  19  -3.038  -7.172   6.942
  976    HG2  MET  19           HG2      MET  19  -3.317  -9.706   5.363
  977    HG3  MET  19           HG1      MET  19  -3.475  -9.499   7.101
  978    HE1  MET  19           HE1      MET  19  -6.958 -10.377   5.186
  979    HE2  MET  19           HE2      MET  19  -5.880 -11.026   6.421
  980    HE3  MET  19           HE3      MET  19  -5.299 -10.809   4.768
  981    H    LYS  20           HN       LYS  20  -3.035  -4.594   5.939
  982    HA   LYS  20           HA       LYS  20  -5.867  -4.310   6.196
  983    HB2  LYS  20           HB2      LYS  20  -3.869  -3.179   7.504
  984    HB3  LYS  20           HB1      LYS  20  -3.969  -1.996   6.209
  985    HG2  LYS  20           HG2      LYS  20  -6.403  -2.767   7.765
  986    HG3  LYS  20           HG1      LYS  20  -5.265  -1.571   8.388
  987    HD2  LYS  20           HD2      LYS  20  -5.532  -0.365   6.180
  988    HD3  LYS  20           HD1      LYS  20  -6.883  -1.452   5.854
  989    HE2  LYS  20           HE2      LYS  20  -6.674   0.298   8.297
  990    HE3  LYS  20           HE1      LYS  20  -7.531   0.757   6.828
  991    HZ1  LYS  20           HZ1      LYS  20  -8.986  -1.143   7.115
  992    HZ2  LYS  20           HZ2      LYS  20  -9.024  -0.167   8.496
  993    HZ3  LYS  20           HZ3      LYS  20  -8.148  -1.614   8.508
  994    H    LEU  21           HN       LEU  21  -3.428  -3.635   3.841
  995    HA   LEU  21           HA       LEU  21  -5.045  -1.858   2.274
  996    HB2  LEU  21           HB2      LEU  21  -2.771  -1.458   1.994
  997    HB3  LEU  21           HB1      LEU  21  -2.380  -3.163   1.883
  998    HG   LEU  21           HG       LEU  21  -3.150  -3.292  -0.368
  999   HD11  LEU  21          HD11      LEU  21  -4.950  -2.134  -0.940
 1000   HD12  LEU  21          HD12      LEU  21  -3.869  -0.764  -1.195
 1001   HD13  LEU  21          HD13      LEU  21  -4.700  -0.959   0.348
 1002   HD21  LEU  21          HD21      LEU  21  -0.965  -2.439  -0.311
 1003   HD22  LEU  21          HD22      LEU  21  -1.517  -0.842   0.190
 1004   HD23  LEU  21          HD23      LEU  21  -1.837  -1.410  -1.448
 1005    H    LYS  22           HN       LYS  22  -4.198  -5.289   2.142
 1006    HA   LYS  22           HA       LYS  22  -5.300  -5.935  -0.333
 1007    HB2  LYS  22           HB2      LYS  22  -4.125  -7.707   0.495
 1008    HB3  LYS  22           HB1      LYS  22  -4.550  -7.344   2.158
 1009    HG2  LYS  22           HG2      LYS  22  -6.934  -8.211   1.238
 1010    HG3  LYS  22           HG1      LYS  22  -5.834  -9.144   0.222
 1011    HD2  LYS  22           HD2      LYS  22  -4.826  -9.186   2.873
 1012    HD3  LYS  22           HD1      LYS  22  -6.543  -9.577   2.941
 1013    HE2  LYS  22           HE2      LYS  22  -6.239 -11.339   1.314
 1014    HE3  LYS  22           HE1      LYS  22  -4.539 -10.914   1.130
 1015    HZ1  LYS  22           HZ1      LYS  22  -4.187 -11.520   3.449
 1016    HZ2  LYS  22           HZ2      LYS  22  -4.809 -12.824   2.570
 1017    HZ3  LYS  22           HZ3      LYS  22  -5.817 -11.945   3.604
 1018    H    GLU  23           HN       GLU  23  -6.675  -5.641   2.869
 1019    HA   GLU  23           HA       GLU  23  -9.301  -6.496   2.224
 1020    HB2  GLU  23           HB2      GLU  23  -8.776  -6.512   4.513
 1021    HB3  GLU  23           HB1      GLU  23  -8.054  -4.914   4.454
 1022    HG2  GLU  23           HG2      GLU  23 -10.192  -3.878   4.304
 1023    HG3  GLU  23           HG1      GLU  23 -10.991  -5.439   4.122
 1024    H    SER  24           HN       SER  24  -7.839  -3.222   2.390
 1025    HA   SER  24           HA       SER  24 -10.125  -1.835   1.657
 1026    HB2  SER  24           HB2      SER  24  -7.400  -0.967   0.781
 1027    HB3  SER  24           HB1      SER  24  -8.764   0.018   1.305
 1028    HG   SER  24           HG       SER  24  -7.990  -0.109   3.240
 1029    H    LEU  25           HN       LEU  25  -7.554  -3.139  -0.446
 1030    HA   LEU  25           HA       LEU  25  -8.582  -2.065  -2.898
 1031    HB2  LEU  25           HB2      LEU  25  -6.536  -4.086  -2.120
 1032    HB3  LEU  25           HB1      LEU  25  -7.152  -4.110  -3.757
 1033    HG   LEU  25           HG       LEU  25  -5.922  -1.660  -2.511
 1034   HD11  LEU  25          HD11      LEU  25  -4.313  -3.540  -2.585
 1035   HD12  LEU  25          HD12      LEU  25  -3.882  -2.218  -3.667
 1036   HD13  LEU  25          HD13      LEU  25  -4.610  -3.687  -4.319
 1037   HD21  LEU  25          HD21      LEU  25  -6.471  -2.438  -5.375
 1038   HD22  LEU  25          HD22      LEU  25  -5.691  -0.949  -4.832
 1039   HD23  LEU  25          HD23      LEU  25  -7.383  -1.253  -4.426
 1040    H    GLU  26           HN       GLU  26  -8.843  -5.222  -1.334
 1041    HA   GLU  26           HA       GLU  26 -10.364  -6.321  -3.454
 1042    HB2  GLU  26           HB2      GLU  26  -9.880  -7.195  -0.618
 1043    HB3  GLU  26           HB1      GLU  26 -11.056  -8.043  -1.614
 1044    HG2  GLU  26           HG2      GLU  26  -9.301  -8.490  -3.273
 1045    HG3  GLU  26           HG1      GLU  26  -8.132  -7.686  -2.227
 1046    H    LEU  27           HN       LEU  27 -11.278  -4.709  -0.444
 1047    HA   LEU  27           HA       LEU  27 -14.078  -5.172  -0.693
 1048    HB2  LEU  27           HB2      LEU  27 -12.402  -3.198   0.808
 1049    HB3  LEU  27           HB1      LEU  27 -14.148  -3.072   0.779
 1050    HG   LEU  27           HG       LEU  27 -12.761  -5.565   1.713
 1051   HD11  LEU  27          HD11      LEU  27 -13.652  -3.226   3.395
 1052   HD12  LEU  27          HD12      LEU  27 -11.974  -3.623   3.024
 1053   HD13  LEU  27          HD13      LEU  27 -12.954  -4.739   3.975
 1054   HD21  LEU  27          HD21      LEU  27 -14.878  -5.925   2.873
 1055   HD22  LEU  27          HD22      LEU  27 -15.139  -5.734   1.139
 1056   HD23  LEU  27          HD23      LEU  27 -15.494  -4.398   2.238
 1057    H    MET  28           HN       MET  28 -11.953  -3.047  -2.418
 1058    HA   MET  28           HA       MET  28 -13.863  -1.020  -2.808
 1059    HB2  MET  28           HB2      MET  28 -11.260  -1.674  -4.044
 1060    HB3  MET  28           HB1      MET  28 -12.362  -0.800  -5.099
 1061    HG2  MET  28           HG2      MET  28 -10.713   0.550  -3.703
 1062    HG3  MET  28           HG1      MET  28 -12.393   1.072  -3.722
 1063    HE1  MET  28           HE1      MET  28 -14.112  -0.062  -1.385
 1064    HE2  MET  28           HE2      MET  28 -13.684   1.510  -2.057
 1065    HE3  MET  28           HE3      MET  28 -13.482   1.203  -0.332
 1066    H    GLU  29           HN       GLU  29 -13.916  -4.156  -3.862
 1067    HA   GLU  29           HA       GLU  29 -15.403  -3.624  -6.302
 1068    HB2  GLU  29           HB2      GLU  29 -15.241  -5.909  -6.730
 1069    HB3  GLU  29           HB1      GLU  29 -13.711  -5.522  -5.956
 1070    HG2  GLU  29           HG2      GLU  29 -14.671  -6.332  -3.807
 1071    HG3  GLU  29           HG1      GLU  29 -16.096  -6.856  -4.700
 1072    H    LEU  30           HN       LEU  30 -16.017  -4.027  -2.949
 1073    HA   LEU  30           HA       LEU  30 -18.713  -5.040  -3.465
 1074    HB2  LEU  30           HB2      LEU  30 -18.571  -6.158  -1.553
 1075    HB3  LEU  30           HB1      LEU  30 -16.860  -5.802  -1.623
 1076    HG   LEU  30           HG       LEU  30 -18.872  -4.147  -0.123
 1077   HD11  LEU  30          HD11      LEU  30 -18.703  -6.395   0.811
 1078   HD12  LEU  30          HD12      LEU  30 -17.963  -5.208   1.886
 1079   HD13  LEU  30          HD13      LEU  30 -16.948  -6.240   0.877
 1080   HD21  LEU  30          HD21      LEU  30 -15.875  -4.105  -0.248
 1081   HD22  LEU  30          HD22      LEU  30 -16.795  -3.331   1.036
 1082   HD23  LEU  30          HD23      LEU  30 -16.993  -2.797  -0.633
 1083    H    VAL  31           HN       VAL  31 -17.280  -2.148  -3.287
 1084    HA   VAL  31           HA       VAL  31 -19.521  -0.882  -1.878
 1085    HB   VAL  31           HB       VAL  31 -17.517   0.041  -1.043
 1086   HG11  VAL  31          HG11      VAL  31 -15.982  -0.752  -2.750
 1087   HG12  VAL  31          HG12      VAL  31 -15.745   0.969  -2.444
 1088   HG13  VAL  31          HG13      VAL  31 -16.610   0.441  -3.888
 1089   HG21  VAL  31          HG21      VAL  31 -17.542   2.404  -2.152
 1090   HG22  VAL  31          HG22      VAL  31 -18.943   1.832  -1.250
 1091   HG23  VAL  31          HG23      VAL  31 -18.943   1.772  -3.011
 1092    HA   PRO  32           HA       PRO  32 -21.596  -0.291  -5.767
 1093    HB2  PRO  32           HB2      PRO  32 -22.369   2.255  -4.376
 1094    HB3  PRO  32           HB1      PRO  32 -23.378   1.140  -5.306
 1095    HG2  PRO  32           HG2      PRO  32 -23.384   1.104  -2.632
 1096    HG3  PRO  32           HG1      PRO  32 -23.519  -0.390  -3.577
 1097    HD2  PRO  32           HD2      PRO  32 -21.244   0.631  -1.982
 1098    HD3  PRO  32           HD1      PRO  32 -21.650  -1.038  -2.431
 1099    H    GLN  33           HN       GLN  33 -20.643   0.409  -7.562
 1100    HA   GLN  33           HA       GLN  33 -18.402   1.978  -7.716
 1101    HB2  GLN  33           HB2      GLN  33 -20.452   1.630  -9.901
 1102    HB3  GLN  33           HB1      GLN  33 -18.760   2.058 -10.111
 1103    HG2  GLN  33           HG2      GLN  33 -18.116  -0.117  -9.163
 1104    HG3  GLN  33           HG1      GLN  33 -19.822  -0.542  -9.035
 1105   HE21  GLN  33          HE21      GLN  33 -20.502   0.801 -11.537
 1106   HE22  GLN  33          HE22      GLN  33 -19.925  -0.223 -12.803
 1107    HA   PRO  34           HA       PRO  34 -21.122   5.746  -9.156
 1108    HB2  PRO  34           HB2      PRO  34 -23.570   5.861  -7.844
 1109    HB3  PRO  34           HB1      PRO  34 -23.335   5.363  -9.522
 1110    HG2  PRO  34           HG2      PRO  34 -23.649   3.685  -7.072
 1111    HG3  PRO  34           HG1      PRO  34 -24.295   3.424  -8.703
 1112    HD2  PRO  34           HD2      PRO  34 -22.165   2.067  -7.800
 1113    HD3  PRO  34           HD1      PRO  34 -22.289   2.577  -9.497
 1114    H    LEU  35           HN       LEU  35 -21.237   4.279  -5.979
 1115    HA   LEU  35           HA       LEU  35 -21.342   6.771  -4.546
 1116    HB2  LEU  35           HB2      LEU  35 -22.402   4.880  -3.539
 1117    HB3  LEU  35           HB1      LEU  35 -20.975   3.886  -3.747
 1118    HG   LEU  35           HG       LEU  35 -19.818   5.403  -2.108
 1119   HD11  LEU  35          HD11      LEU  35 -21.238   6.691  -0.590
 1120   HD12  LEU  35          HD12      LEU  35 -22.629   6.351  -1.620
 1121   HD13  LEU  35          HD13      LEU  35 -21.289   7.318  -2.238
 1122   HD21  LEU  35          HD21      LEU  35 -20.612   3.189  -1.500
 1123   HD22  LEU  35          HD22      LEU  35 -22.212   3.847  -1.153
 1124   HD23  LEU  35          HD23      LEU  35 -20.830   4.319  -0.164
 1125    H    VAL  36           HN       VAL  36 -18.919   4.541  -5.696
 1126    HA   VAL  36           HA       VAL  36 -16.750   5.566  -4.137
 1127    HB   VAL  36           HB       VAL  36 -16.837   3.953  -6.690
 1128   HG11  VAL  36          HG11      VAL  36 -14.419   4.919  -5.170
 1129   HG12  VAL  36          HG12      VAL  36 -14.844   5.285  -6.842
 1130   HG13  VAL  36          HG13      VAL  36 -14.386   3.644  -6.387
 1131   HG21  VAL  36          HG21      VAL  36 -16.002   2.161  -5.284
 1132   HG22  VAL  36          HG22      VAL  36 -17.487   2.824  -4.603
 1133   HG23  VAL  36          HG23      VAL  36 -15.926   3.252  -3.900
 1134    H    ASP  37           HN       ASP  37 -18.004   6.162  -7.389
 1135    HA   ASP  37           HA       ASP  37 -16.136   8.041  -8.255
 1136    HB2  ASP  37           HB2      ASP  37 -19.098   7.849  -8.852
 1137    HB3  ASP  37           HB1      ASP  37 -17.976   8.891  -9.722
 1138    H    SER  38           HN       SER  38 -19.093   8.445  -6.289
 1139    HA   SER  38           HA       SER  38 -19.074  11.211  -6.194
 1140    HB2  SER  38           HB2      SER  38 -20.945   9.889  -5.342
 1141    HB3  SER  38           HB1      SER  38 -19.940   9.271  -4.032
 1142    HG   SER  38           HG       SER  38 -20.924  10.932  -3.089
 1143    H    TYR  39           HN       TYR  39 -17.435   8.857  -4.106
 1144    HA   TYR  39           HA       TYR  39 -16.269  10.639  -2.283
 1145    HB2  TYR  39           HB2      TYR  39 -16.049   8.471  -1.560
 1146    HB3  TYR  39           HB1      TYR  39 -15.725   7.851  -3.175
 1147    HD1  TYR  39           HD2      TYR  39 -14.186   9.780  -0.391
 1148    HD2  TYR  39           HD1      TYR  39 -13.522   7.406  -3.860
 1149    HE1  TYR  39           HE2      TYR  39 -11.784   9.711   0.118
 1150    HE2  TYR  39           HE1      TYR  39 -11.127   7.334  -3.363
 1151    HH   TYR  39           HH       TYR  39  -9.461   8.632  -2.109
 1152    H    ARG  40           HN       ARG  40 -15.056   9.328  -5.344
 1153    HA   ARG  40           HA       ARG  40 -12.518  10.370  -5.337
 1154    HB2  ARG  40           HB2      ARG  40 -14.450   9.817  -7.570
 1155    HB3  ARG  40           HB1      ARG  40 -12.832  10.427  -7.896
 1156    HG2  ARG  40           HG2      ARG  40 -11.852   8.496  -6.835
 1157    HG3  ARG  40           HG1      ARG  40 -13.451   7.902  -6.383
 1158    HD2  ARG  40           HD2      ARG  40 -14.038   7.749  -8.771
 1159    HD3  ARG  40           HD1      ARG  40 -12.408   8.278  -9.188
 1160    HE   ARG  40           HE       ARG  40 -12.249   6.026  -7.516
 1161   HH11  ARG  40          HH11      ARG  40 -13.207   6.905 -10.748
 1162   HH12  ARG  40          HH12      ARG  40 -12.833   5.353 -11.419
 1163   HH21  ARG  40          HH21      ARG  40 -11.751   3.981  -8.390
 1164   HH22  ARG  40          HH22      ARG  40 -12.005   3.690 -10.079
 1165    H    GLN  41           HN       GLN  41 -15.512  11.859  -6.428
 1166    HA   GLN  41           HA       GLN  41 -14.430  14.260  -7.386
 1167    HB2  GLN  41           HB2      GLN  41 -16.733  13.589  -7.872
 1168    HB3  GLN  41           HB1      GLN  41 -17.160  13.763  -6.176
 1169    HG2  GLN  41           HG2      GLN  41 -16.731  16.151  -6.297
 1170    HG3  GLN  41           HG1      GLN  41 -16.265  15.989  -7.989
 1171   HE21  GLN  41          HE21      GLN  41 -18.894  15.958  -5.719
 1172   HE22  GLN  41          HE22      GLN  41 -20.168  16.066  -6.880
 1173    H    GLN  42           HN       GLN  42 -15.694  13.395  -4.190
 1174    HA   GLN  42           HA       GLN  42 -15.385  15.876  -2.940
 1175    HB2  GLN  42           HB2      GLN  42 -16.691  14.184  -1.874
 1176    HB3  GLN  42           HB1      GLN  42 -15.337  13.064  -1.848
 1177    HG2  GLN  42           HG2      GLN  42 -14.212  14.341  -0.189
 1178    HG3  GLN  42           HG1      GLN  42 -15.375  15.658  -0.331
 1179   HE21  GLN  42          HE21      GLN  42 -15.920  15.583   1.837
 1180   HE22  GLN  42          HE22      GLN  42 -16.856  14.300   2.517
 1181    H    GLN  43           HN       GLN  43 -13.111  13.210  -3.376
 1182    HA   GLN  43           HA       GLN  43 -11.050  14.504  -1.830
 1183    HB2  GLN  43           HB2      GLN  43 -11.180  12.061  -1.905
 1184    HB3  GLN  43           HB1      GLN  43 -10.943  12.087  -3.647
 1185    HG2  GLN  43           HG2      GLN  43  -8.711  12.998  -3.348
 1186    HG3  GLN  43           HG1      GLN  43  -8.949  13.034  -1.601
 1187   HE21  GLN  43          HE21      GLN  43  -8.651  10.950  -4.398
 1188   HE22  GLN  43          HE22      GLN  43  -8.147   9.542  -3.533
 1189    H    GLN  44           HN       GLN  44 -12.127  14.455  -5.094
 1190    HA   GLN  44           HA       GLN  44  -9.732  15.272  -6.375
 1191    HB2  GLN  44           HB2      GLN  44 -11.841  14.311  -7.461
 1192    HB3  GLN  44           HB1      GLN  44 -12.526  15.923  -7.309
 1193    HG2  GLN  44           HG2      GLN  44 -11.642  15.591  -9.525
 1194    HG3  GLN  44           HG1      GLN  44 -10.704  16.817  -8.674
 1195   HE21  GLN  44          HE21      GLN  44  -8.594  16.363  -8.057
 1196   HE22  GLN  44          HE22      GLN  44  -7.711  15.025  -8.702
 1197    H    LEU  45           HN       LEU  45 -12.106  16.838  -4.471
 1198    HA   LEU  45           HA       LEU  45 -11.950  19.486  -5.268
 1199    HB2  LEU  45           HB2      LEU  45 -13.552  18.939  -3.639
 1200    HB3  LEU  45           HB1      LEU  45 -12.369  18.165  -2.605
 1201    HG   LEU  45           HG       LEU  45 -11.447  20.721  -2.596
 1202   HD11  LEU  45          HD11      LEU  45 -13.326  21.530  -3.924
 1203   HD12  LEU  45          HD12      LEU  45 -13.345  22.213  -2.298
 1204   HD13  LEU  45          HD13      LEU  45 -14.450  20.905  -2.718
 1205   HD21  LEU  45          HD21      LEU  45 -11.696  19.421  -0.615
 1206   HD22  LEU  45          HD22      LEU  45 -13.453  19.399  -0.783
 1207   HD23  LEU  45          HD23      LEU  45 -12.624  20.906  -0.396
 1208    H    LEU  46           HN       LEU  46  -9.664  17.561  -3.442
 1209    HA   LEU  46           HA       LEU  46  -7.874  19.898  -3.320
 1210    HB2  LEU  46           HB2      LEU  46  -7.648  17.607  -1.408
 1211    HB3  LEU  46           HB1      LEU  46  -7.057  19.249  -1.237
 1212    HG   LEU  46           HG       LEU  46  -9.820  19.525  -1.401
 1213   HD11  LEU  46          HD11      LEU  46 -10.567  18.031   0.468
 1214   HD12  LEU  46          HD12      LEU  46  -9.081  17.117   0.226
 1215   HD13  LEU  46          HD13      LEU  46 -10.264  17.231  -1.073
 1216   HD21  LEU  46          HD21      LEU  46  -9.574  19.997   1.078
 1217   HD22  LEU  46          HD22      LEU  46  -8.545  20.927  -0.011
 1218   HD23  LEU  46          HD23      LEU  46  -7.875  19.565   0.885
 1219    H    GLN  47           HN       GLN  47  -7.579  16.364  -2.929
 1220    HA   GLN  47           HA       GLN  47  -6.152  14.850  -3.857
 1221    HB2  GLN  47           HB2      GLN  47  -7.055  16.362  -5.967
 1222    HB3  GLN  47           HB1      GLN  47  -5.309  16.502  -6.129
 1223    HG2  GLN  47           HG2      GLN  47  -6.068  14.661  -7.444
 1224    HG3  GLN  47           HG1      GLN  47  -5.145  14.043  -6.074
 1225   HE21  GLN  47          HE21      GLN  47  -6.281  13.100  -4.326
 1226   HE22  GLN  47          HE22      GLN  47  -7.852  12.419  -4.557
 1227    H    ARG  48           HN       ARG  48  -5.242  17.197  -2.181
 1228    HA   ARG  48           HA       ARG  48  -2.395  16.730  -2.566
 1229    HB2  ARG  48           HB2      ARG  48  -1.986  19.215  -2.155
 1230    HB3  ARG  48           HB1      ARG  48  -2.560  18.756  -3.751
 1231    HG2  ARG  48           HG2      ARG  48  -4.831  19.405  -3.105
 1232    HG3  ARG  48           HG1      ARG  48  -4.225  19.902  -1.525
 1233    HD2  ARG  48           HD2      ARG  48  -3.362  21.049  -4.177
 1234    HD3  ARG  48           HD1      ARG  48  -4.491  21.805  -3.055
 1235    HE   ARG  48           HE       ARG  48  -2.092  21.262  -1.705
 1236   HH11  ARG  48          HH11      ARG  48  -3.341  23.345  -4.205
 1237   HH12  ARG  48          HH12      ARG  48  -2.212  24.618  -3.886
 1238   HH21  ARG  48          HH21      ARG  48  -0.602  22.934  -1.279
 1239   HH22  ARG  48          HH22      ARG  48  -0.655  24.385  -2.223
 1240    H    ASP   1           HT1      ASP   1   5.213 -14.191  16.911
 1241    HA   ASP   1           HA       ASP   1   5.110 -15.659  14.341
 1242    HB2  ASP   1           HB2      ASP   1   2.891 -14.455  16.013
 1243    HB3  ASP   1           HB1      ASP   1   2.689 -15.164  14.413
 1244    H    GLU   2           HN       GLU   2   6.293 -14.234  13.130
 1245    HA   GLU   2           HA       GLU   2   4.996 -11.871  12.247
 1246    HB2  GLU   2           HB2      GLU   2   6.650 -10.217  12.966
 1247    HB3  GLU   2           HB1      GLU   2   5.876 -10.971  14.354
 1248    HG2  GLU   2           HG2      GLU   2   7.816 -12.387  14.694
 1249    HG3  GLU   2           HG1      GLU   2   8.587 -11.699  13.266
 1250    H    ASP   3           HN       ASP   3   6.611 -14.416  11.530
 1251    HA   ASP   3           HA       ASP   3   8.769 -13.381   9.936
 1252    HB2  ASP   3           HB2      ASP   3   7.499 -16.126   9.867
 1253    HB3  ASP   3           HB1      ASP   3   9.051 -15.676   9.168
 1254    H    THR   4           HN       THR   4   8.032 -15.329   7.678
 1255    HA   THR   4           HA       THR   4   6.717 -13.358   6.091
 1256    HB   THR   4           HB       THR   4   6.789 -16.033   4.936
 1257    HG1  THR   4           HG1      THR   4   9.091 -16.032   4.773
 1258   HG21  THR   4          HG21      THR   4   7.992 -14.753   3.139
 1259   HG22  THR   4          HG22      THR   4   7.803 -13.313   4.144
 1260   HG23  THR   4          HG23      THR   4   6.378 -14.154   3.526
 1261    H    TYR   5           HN       TYR   5   4.783 -13.400   5.174
 1262    HA   TYR   5           HA       TYR   5   2.739 -15.140   6.381
 1263    HB2  TYR   5           HB2      TYR   5   2.774 -12.185   5.941
 1264    HB3  TYR   5           HB1      TYR   5   1.285 -13.092   6.182
 1265    HD1  TYR   5           HD1      TYR   5   1.078 -14.482   8.317
 1266    HD2  TYR   5           HD2      TYR   5   4.036 -11.474   7.775
 1267    HE1  TYR   5           HE1      TYR   5   1.367 -14.336  10.753
 1268    HE2  TYR   5           HE2      TYR   5   4.331 -11.316  10.210
 1269    HH   TYR   5           HH       TYR   5   3.074 -13.628  12.361
 1270    H    TYR   6           HN       TYR   6   0.767 -15.294   4.975
 1271    HA   TYR   6           HA       TYR   6   1.412 -14.685   2.168
 1272    HB2  TYR   6           HB2      TYR   6  -0.565 -16.800   3.048
 1273    HB3  TYR   6           HB1      TYR   6   0.159 -16.591   1.460
 1274    HD1  TYR   6           HD1      TYR   6   3.021 -16.198   2.332
 1275    HD2  TYR   6           HD2      TYR   6   0.082 -19.028   3.531
 1276    HE1  TYR   6           HE1      TYR   6   4.803 -17.781   2.911
 1277    HE2  TYR   6           HE2      TYR   6   1.857 -20.626   4.122
 1278    HH   TYR   6           HH       TYR   6   4.207 -21.065   3.549
 1279    H    LEU   7           HN       LEU   7   0.193 -13.397   1.080
 1280    HA   LEU   7           HA       LEU   7  -2.271 -12.341   2.334
 1281    HB2  LEU   7           HB2      LEU   7   0.096 -11.117   1.478
 1282    HB3  LEU   7           HB1      LEU   7  -1.047 -10.778   0.211
 1283    HG   LEU   7           HG       LEU   7  -2.090  -9.197   1.405
 1284   HD11  LEU   7          HD11      LEU   7  -3.299  -9.981   3.098
 1285   HD12  LEU   7          HD12      LEU   7  -1.929  -9.495   4.104
 1286   HD13  LEU   7          HD13      LEU   7  -2.076 -11.165   3.549
 1287   HD21  LEU   7          HD21      LEU   7  -0.612  -8.045   2.961
 1288   HD22  LEU   7          HD22      LEU   7   0.257  -8.613   1.535
 1289   HD23  LEU   7          HD23      LEU   7   0.402  -9.485   3.061
 1290    H    GLN   8           HN       GLN   8  -4.030 -13.230   1.272
 1291    HA   GLN   8           HA       GLN   8  -3.709 -13.986  -1.495
 1292    HB2  GLN   8           HB2      GLN   8  -5.039 -15.190   0.485
 1293    HB3  GLN   8           HB1      GLN   8  -6.336 -14.199  -0.145
 1294    HG2  GLN   8           HG2      GLN   8  -5.523 -15.239  -2.428
 1295    HG3  GLN   8           HG1      GLN   8  -4.973 -16.516  -1.341
 1296   HE21  GLN   8          HE21      GLN   8  -6.434 -18.052  -1.889
 1297   HE22  GLN   8          HE22      GLN   8  -8.137 -17.913  -1.613
 1298    H    VAL   9           HN       VAL   9  -4.050 -12.591  -3.042
 1299    HA   VAL   9           HA       VAL   9  -5.943 -10.425  -2.532
 1300    HB   VAL   9           HB       VAL   9  -3.240 -10.265  -3.849
 1301   HG11  VAL   9          HG11      VAL   9  -3.812  -7.872  -4.309
 1302   HG12  VAL   9          HG12      VAL   9  -5.495  -8.285  -3.977
 1303   HG13  VAL   9          HG13      VAL   9  -4.644  -9.055  -5.317
 1304   HG21  VAL   9          HG21      VAL   9  -4.464  -8.692  -1.588
 1305   HG22  VAL   9          HG22      VAL   9  -2.813  -8.550  -2.191
 1306   HG23  VAL   9          HG23      VAL   9  -3.340 -10.039  -1.407
 1307    H    ARG  10           HN       ARG  10  -7.500 -10.141  -3.996
 1308    HA   ARG  10           HA       ARG  10  -7.380 -11.860  -6.373
 1309    HB2  ARG  10           HB2      ARG  10  -9.315 -11.931  -4.659
 1310    HB3  ARG  10           HB1      ARG  10  -9.838 -10.420  -5.388
 1311    HG2  ARG  10           HG2      ARG  10  -9.329 -12.802  -7.112
 1312    HG3  ARG  10           HG1      ARG  10 -10.835 -12.672  -6.202
 1313    HD2  ARG  10           HD2      ARG  10 -11.244 -10.478  -7.251
 1314    HD3  ARG  10           HD1      ARG  10  -9.771 -10.677  -8.200
 1315    HE   ARG  10           HE       ARG  10 -11.279 -12.911  -8.719
 1316   HH11  ARG  10          HH11      ARG  10 -11.705  -9.467  -9.042
 1317   HH12  ARG  10          HH12      ARG  10 -12.762  -9.596 -10.407
 1318   HH21  ARG  10          HH21      ARG  10 -12.673 -13.089 -10.516
 1319   HH22  ARG  10          HH22      ARG  10 -13.314 -11.654 -11.244
 1320    H    GLY  11           HN       GLY  11  -7.573 -11.100  -8.419
 1321    HA2  GLY  11           HA2      GLY  11  -7.946  -9.486 -10.095
 1322    HA3  GLY  11           HA1      GLY  11  -8.129  -8.264  -8.845
 1323    H    ARG  12           HN       ARG  12  -6.285  -9.012 -11.355
 1324    HA   ARG  12           HA       ARG  12  -3.647  -8.993 -10.560
 1325    HB2  ARG  12           HB2      ARG  12  -4.741  -9.191 -12.912
 1326    HB3  ARG  12           HB1      ARG  12  -4.515  -7.448 -12.973
 1327    HG2  ARG  12           HG2      ARG  12  -2.650  -8.426 -14.040
 1328    HG3  ARG  12           HG1      ARG  12  -2.091  -7.844 -12.471
 1329    HD2  ARG  12           HD2      ARG  12  -2.293 -10.111 -11.568
 1330    HD3  ARG  12           HD1      ARG  12  -2.843 -10.687 -13.141
 1331    HE   ARG  12           HE       ARG  12  -0.180  -9.475 -12.797
 1332   HH11  ARG  12          HH11      ARG  12  -2.227 -12.096 -13.843
 1333   HH12  ARG  12          HH12      ARG  12  -0.939 -12.966 -14.606
 1334   HH21  ARG  12          HH21      ARG  12   1.520 -10.615 -13.801
 1335   HH22  ARG  12          HH22      ARG  12   1.190 -12.126 -14.582
 1336    H    GLU  13           HN       GLU  13  -5.610  -6.151 -11.323
 1337    HA   GLU  13           HA       GLU  13  -3.700  -4.187 -10.915
 1338    HB2  GLU  13           HB2      GLU  13  -5.907  -3.680 -11.821
 1339    HB3  GLU  13           HB1      GLU  13  -6.652  -4.041 -10.270
 1340    HG2  GLU  13           HG2      GLU  13  -5.542  -2.147  -9.258
 1341    HG3  GLU  13           HG1      GLU  13  -4.692  -1.811 -10.766
 1342    H    ASN  14           HN       ASN  14  -5.800  -5.694  -8.514
 1343    HA   ASN  14           HA       ASN  14  -5.018  -4.160  -6.275
 1344    HB2  ASN  14           HB2      ASN  14  -7.111  -5.458  -6.428
 1345    HB3  ASN  14           HB1      ASN  14  -6.184  -6.950  -6.482
 1346   HD21  ASN  14          HD21      ASN  14  -8.183  -6.438  -4.635
 1347   HD22  ASN  14          HD22      ASN  14  -7.474  -6.348  -3.062
 1348    H    PHE  15           HN       PHE  15  -3.993  -7.316  -7.527
 1349    HA   PHE  15           HA       PHE  15  -2.168  -7.895  -5.460
 1350    HB2  PHE  15           HB2      PHE  15  -3.137  -9.612  -6.934
 1351    HB3  PHE  15           HB1      PHE  15  -2.309  -8.911  -8.315
 1352    HD1  PHE  15           HD1      PHE  15  -1.248  -9.948  -4.874
 1353    HD2  PHE  15           HD2      PHE  15  -0.659 -10.267  -9.084
 1354    HE1  PHE  15           HE1      PHE  15   0.627 -11.471  -4.492
 1355    HE2  PHE  15           HE2      PHE  15   1.249 -11.781  -8.694
 1356    HZ   PHE  15           HZ       PHE  15   1.890 -12.387  -6.389
 1357    H    GLU  16           HN       GLU  16  -1.662  -6.537  -8.709
 1358    HA   GLU  16           HA       GLU  16   1.079  -6.292  -8.601
 1359    HB2  GLU  16           HB2      GLU  16  -0.956  -4.557  -9.997
 1360    HB3  GLU  16           HB1      GLU  16   0.777  -4.390 -10.241
 1361    HG2  GLU  16           HG2      GLU  16   0.894  -6.678 -11.062
 1362    HG3  GLU  16           HG1      GLU  16  -0.837  -6.870 -10.792
 1363    H    ILE  17           HN       ILE  17  -1.351  -4.158  -7.229
 1364    HA   ILE  17           HA       ILE  17   0.477  -2.012  -6.657
 1365    HB   ILE  17           HB       ILE  17  -2.360  -2.542  -6.091
 1366   HG12  ILE  17          HG12      ILE  17  -0.984   0.099  -6.487
 1367   HG13  ILE  17          HG11      ILE  17  -1.235  -0.996  -7.839
 1368   HG21  ILE  17          HG21      ILE  17  -2.500  -0.837  -4.323
 1369   HG22  ILE  17          HG22      ILE  17  -0.737  -0.765  -4.266
 1370   HG23  ILE  17          HG23      ILE  17  -1.577  -2.247  -3.799
 1371   HD11  ILE  17          HD11      ILE  17  -3.636  -0.905  -7.475
 1372   HD12  ILE  17          HD12      ILE  17  -2.965   0.716  -7.690
 1373   HD13  ILE  17          HD13      ILE  17  -3.393   0.144  -6.077
 1374    H    LEU  18           HN       LEU  18  -0.809  -4.784  -4.859
 1375    HA   LEU  18           HA       LEU  18   0.475  -4.080  -2.359
 1376    HB2  LEU  18           HB2      LEU  18  -1.158  -6.358  -3.403
 1377    HB3  LEU  18           HB1      LEU  18  -0.249  -6.526  -1.915
 1378    HG   LEU  18           HG       LEU  18  -2.027  -4.162  -2.126
 1379   HD11  LEU  18          HD11      LEU  18  -3.190  -6.818  -1.389
 1380   HD12  LEU  18          HD12      LEU  18  -3.241  -6.235  -3.052
 1381   HD13  LEU  18          HD13      LEU  18  -4.016  -5.307  -1.768
 1382   HD21  LEU  18          HD21      LEU  18  -1.126  -6.090  -0.013
 1383   HD22  LEU  18          HD22      LEU  18  -2.467  -4.977   0.255
 1384   HD23  LEU  18          HD23      LEU  18  -0.861  -4.349  -0.110
 1385    H    MET  19           HN       MET  19   1.156  -6.017  -5.192
 1386    HA   MET  19           HA       MET  19   3.252  -7.518  -3.956
 1387    HB2  MET  19           HB2      MET  19   1.772  -8.059  -6.115
 1388    HB3  MET  19           HB1      MET  19   3.040  -7.172  -6.940
 1389    HG2  MET  19           HG2      MET  19   3.321  -9.705  -5.361
 1390    HG3  MET  19           HG1      MET  19   3.476  -9.499  -7.099
 1391    HE1  MET  19           HE1      MET  19   6.961 -10.375  -5.186
 1392    HE2  MET  19           HE2      MET  19   5.883 -11.025  -6.420
 1393    HE3  MET  19           HE3      MET  19   5.302 -10.808  -4.768
 1394    H    LYS  20           HN       LYS  20   3.037  -4.594  -5.938
 1395    HA   LYS  20           HA       LYS  20   5.868  -4.310  -6.196
 1396    HB2  LYS  20           HB2      LYS  20   3.870  -3.181  -7.504
 1397    HB3  LYS  20           HB1      LYS  20   3.968  -1.998  -6.209
 1398    HG2  LYS  20           HG2      LYS  20   6.403  -2.766  -7.766
 1399    HG3  LYS  20           HG1      LYS  20   5.263  -1.571  -8.387
 1400    HD2  LYS  20           HD2      LYS  20   5.531  -0.365  -6.180
 1401    HD3  LYS  20           HD1      LYS  20   6.883  -1.452  -5.855
 1402    HE2  LYS  20           HE2      LYS  20   6.671   0.297  -8.298
 1403    HE3  LYS  20           HE1      LYS  20   7.529   0.758  -6.829
 1404    HZ1  LYS  20           HZ1      LYS  20   8.984  -1.141  -7.117
 1405    HZ2  LYS  20           HZ2      LYS  20   9.021  -0.166  -8.498
 1406    HZ3  LYS  20           HZ3      LYS  20   8.146  -1.614  -8.509
 1407    H    LEU  21           HN       LEU  21   3.429  -3.636  -3.840
 1408    HA   LEU  21           HA       LEU  21   5.046  -1.857  -2.273
 1409    HB2  LEU  21           HB2      LEU  21   2.771  -1.459  -1.991
 1410    HB3  LEU  21           HB1      LEU  21   2.381  -3.164  -1.881
 1411    HG   LEU  21           HG       LEU  21   3.152  -3.292   0.370
 1412   HD11  LEU  21          HD11      LEU  21   4.952  -2.134   0.940
 1413   HD12  LEU  21          HD12      LEU  21   3.871  -0.764   1.195
 1414   HD13  LEU  21          HD13      LEU  21   4.701  -0.960  -0.348
 1415   HD21  LEU  21          HD21      LEU  21   0.966  -2.438   0.312
 1416   HD22  LEU  21          HD22      LEU  21   1.519  -0.841  -0.188
 1417   HD23  LEU  21          HD23      LEU  21   1.838  -1.410   1.451
 1418    H    LYS  22           HN       LYS  22   4.199  -5.289  -2.140
 1419    HA   LYS  22           HA       LYS  22   5.302  -5.935   0.335
 1420    HB2  LYS  22           HB2      LYS  22   4.127  -7.707  -0.495
 1421    HB3  LYS  22           HB1      LYS  22   4.552  -7.344  -2.157
 1422    HG2  LYS  22           HG2      LYS  22   6.937  -8.210  -1.237
 1423    HG3  LYS  22           HG1      LYS  22   5.837  -9.143  -0.220
 1424    HD2  LYS  22           HD2      LYS  22   4.827  -9.185  -2.870
 1425    HD3  LYS  22           HD1      LYS  22   6.545  -9.575  -2.941
 1426    HE2  LYS  22           HE2      LYS  22   6.244 -11.337  -1.312
 1427    HE3  LYS  22           HE1      LYS  22   4.543 -10.913  -1.128
 1428    HZ1  LYS  22           HZ1      LYS  22   4.190 -11.520  -3.447
 1429    HZ2  LYS  22           HZ2      LYS  22   4.815 -12.823  -2.568
 1430    HZ3  LYS  22           HZ3      LYS  22   5.821 -11.942  -3.603
 1431    H    GLU  23           HN       GLU  23   6.675  -5.640  -2.867
 1432    HA   GLU  23           HA       GLU  23   9.302  -6.494  -2.224
 1433    HB2  GLU  23           HB2      GLU  23   8.779  -6.510  -4.513
 1434    HB3  GLU  23           HB1      GLU  23   8.055  -4.913  -4.455
 1435    HG2  GLU  23           HG2      GLU  23  10.192  -3.874  -4.305
 1436    HG3  GLU  23           HG1      GLU  23  10.993  -5.435  -4.124
 1437    H    SER  24           HN       SER  24   7.841  -3.221  -2.391
 1438    HA   SER  24           HA       SER  24  10.126  -1.833  -1.658
 1439    HB2  SER  24           HB2      SER  24   7.400  -0.965  -0.783
 1440    HB3  SER  24           HB1      SER  24   8.764   0.020  -1.306
 1441    HG   SER  24           HG       SER  24   7.990  -0.108  -3.241
 1442    H    LEU  25           HN       LEU  25   7.555  -3.138   0.447
 1443    HA   LEU  25           HA       LEU  25   8.583  -2.063   2.899
 1444    HB2  LEU  25           HB2      LEU  25   6.539  -4.085   2.119
 1445    HB3  LEU  25           HB1      LEU  25   7.154  -4.109   3.757
 1446    HG   LEU  25           HG       LEU  25   5.924  -1.658   2.512
 1447   HD11  LEU  25          HD11      LEU  25   4.316  -3.539   2.586
 1448   HD12  LEU  25          HD12      LEU  25   3.884  -2.216   3.668
 1449   HD13  LEU  25          HD13      LEU  25   4.613  -3.685   4.320
 1450   HD21  LEU  25          HD21      LEU  25   6.474  -2.437   5.376
 1451   HD22  LEU  25          HD22      LEU  25   5.694  -0.948   4.833
 1452   HD23  LEU  25          HD23      LEU  25   7.386  -1.252   4.427
 1453    H    GLU  26           HN       GLU  26   8.845  -5.222   1.336
 1454    HA   GLU  26           HA       GLU  26  10.369  -6.319   3.455
 1455    HB2  GLU  26           HB2      GLU  26   9.883  -7.192   0.620
 1456    HB3  GLU  26           HB1      GLU  26  11.059  -8.041   1.615
 1457    HG2  GLU  26           HG2      GLU  26   9.303  -8.487   3.273
 1458    HG3  GLU  26           HG1      GLU  26   8.134  -7.684   2.226
 1459    H    LEU  27           HN       LEU  27  11.280  -4.706   0.444
 1460    HA   LEU  27           HA       LEU  27  14.080  -5.168   0.692
 1461    HB2  LEU  27           HB2      LEU  27  12.403  -3.195  -0.811
 1462    HB3  LEU  27           HB1      LEU  27  14.149  -3.068  -0.781
 1463    HG   LEU  27           HG       LEU  27  12.765  -5.563  -1.715
 1464   HD11  LEU  27          HD11      LEU  27  13.653  -3.224  -3.397
 1465   HD12  LEU  27          HD12      LEU  27  11.976  -3.620  -3.025
 1466   HD13  LEU  27          HD13      LEU  27  12.955  -4.736  -3.977
 1467   HD21  LEU  27          HD21      LEU  27  14.882  -5.921  -2.875
 1468   HD22  LEU  27          HD22      LEU  27  15.143  -5.730  -1.142
 1469   HD23  LEU  27          HD23      LEU  27  15.496  -4.393  -2.240
 1470    H    MET  28           HN       MET  28  11.954  -3.044   2.418
 1471    HA   MET  28           HA       MET  28  13.864  -1.015   2.806
 1472    HB2  MET  28           HB2      MET  28  11.260  -1.669   4.042
 1473    HB3  MET  28           HB1      MET  28  12.362  -0.796   5.098
 1474    HG2  MET  28           HG2      MET  28  10.715   0.555   3.701
 1475    HG3  MET  28           HG1      MET  28  12.396   1.075   3.719
 1476    HE1  MET  28           HE1      MET  28  14.114  -0.058   1.382
 1477    HE2  MET  28           HE2      MET  28  13.685   1.513   2.055
 1478    HE3  MET  28           HE3      MET  28  13.482   1.206   0.330
 1479    H    GLU  29           HN       GLU  29  13.918  -4.151   3.861
 1480    HA   GLU  29           HA       GLU  29  15.408  -3.619   6.300
 1481    HB2  GLU  29           HB2      GLU  29  15.247  -5.904   6.728
 1482    HB3  GLU  29           HB1      GLU  29  13.716  -5.517   5.955
 1483    HG2  GLU  29           HG2      GLU  29  14.676  -6.326   3.805
 1484    HG3  GLU  29           HG1      GLU  29  16.101  -6.851   4.697
 1485    H    LEU  30           HN       LEU  30  16.019  -4.024   2.947
 1486    HA   LEU  30           HA       LEU  30  18.715  -5.035   3.462
 1487    HB2  LEU  30           HB2      LEU  30  18.573  -6.152   1.551
 1488    HB3  LEU  30           HB1      LEU  30  16.863  -5.797   1.622
 1489    HG   LEU  30           HG       LEU  30  18.873  -4.141   0.120
 1490   HD11  LEU  30          HD11      LEU  30  18.703  -6.390  -0.815
 1491   HD12  LEU  30          HD12      LEU  30  17.962  -5.204  -1.889
 1492   HD13  LEU  30          HD13      LEU  30  16.948  -6.235  -0.878
 1493   HD21  LEU  30          HD21      LEU  30  15.876  -4.101   0.247
 1494   HD22  LEU  30          HD22      LEU  30  16.794  -3.326  -1.038
 1495   HD23  LEU  30          HD23      LEU  30  16.994  -2.793   0.631
 1496    H    VAL  31           HN       VAL  31  17.282  -2.143   3.285
 1497    HA   VAL  31           HA       VAL  31  19.523  -0.877   1.876
 1498    HB   VAL  31           HB       VAL  31  17.518   0.045   1.041
 1499   HG11  VAL  31          HG11      VAL  31  15.984  -0.748   2.748
 1500   HG12  VAL  31          HG12      VAL  31  15.746   0.973   2.442
 1501   HG13  VAL  31          HG13      VAL  31  16.611   0.445   3.886
 1502   HG21  VAL  31          HG21      VAL  31  17.541   2.408   2.147
 1503   HG22  VAL  31          HG22      VAL  31  18.943   1.837   1.246
 1504   HG23  VAL  31          HG23      VAL  31  18.943   1.780   3.007
 1505    HA   PRO  32           HA       PRO  32  21.598  -0.285   5.764
 1506    HB2  PRO  32           HB2      PRO  32  22.369   2.262   4.373
 1507    HB3  PRO  32           HB1      PRO  32  23.379   1.148   5.302
 1508    HG2  PRO  32           HG2      PRO  32  23.385   1.112   2.629
 1509    HG3  PRO  32           HG1      PRO  32  23.521  -0.381   3.573
 1510    HD2  PRO  32           HD2      PRO  32  21.245   0.639   1.979
 1511    HD3  PRO  32           HD1      PRO  32  21.653  -1.031   2.427
 1512    H    GLN  33           HN       GLN  33  20.645   0.416   7.558
 1513    HA   GLN  33           HA       GLN  33  18.404   1.984   7.713
 1514    HB2  GLN  33           HB2      GLN  33  20.455   1.637   9.897
 1515    HB3  GLN  33           HB1      GLN  33  18.762   2.066  10.107
 1516    HG2  GLN  33           HG2      GLN  33  18.117  -0.109   9.162
 1517    HG3  GLN  33           HG1      GLN  33  19.822  -0.535   9.030
 1518   HE21  GLN  33          HE21      GLN  33  20.506   0.808  11.534
 1519   HE22  GLN  33          HE22      GLN  33  19.930  -0.217  12.799
 1520    HA   PRO  34           HA       PRO  34  21.124   5.753   9.152
 1521    HB2  PRO  34           HB2      PRO  34  23.570   5.868   7.839
 1522    HB3  PRO  34           HB1      PRO  34  23.336   5.371   9.517
 1523    HG2  PRO  34           HG2      PRO  34  23.651   3.692   7.067
 1524    HG3  PRO  34           HG1      PRO  34  24.297   3.433   8.698
 1525    HD2  PRO  34           HD2      PRO  34  22.166   2.075   7.797
 1526    HD3  PRO  34           HD1      PRO  34  22.291   2.586   9.493
 1527    H    LEU  35           HN       LEU  35  21.238   4.286   5.975
 1528    HA   LEU  35           HA       LEU  35  21.341   6.778   4.541
 1529    HB2  LEU  35           HB2      LEU  35  22.402   4.887   3.535
 1530    HB3  LEU  35           HB1      LEU  35  20.976   3.893   3.743
 1531    HG   LEU  35           HG       LEU  35  19.818   5.409   2.104
 1532   HD11  LEU  35          HD11      LEU  35  21.236   6.697   0.585
 1533   HD12  LEU  35          HD12      LEU  35  22.628   6.357   1.614
 1534   HD13  LEU  35          HD13      LEU  35  21.289   7.324   2.233
 1535   HD21  LEU  35          HD21      LEU  35  20.612   3.195   1.497
 1536   HD22  LEU  35          HD22      LEU  35  22.211   3.853   1.150
 1537   HD23  LEU  35          HD23      LEU  35  20.830   4.325   0.160
 1538    H    VAL  36           HN       VAL  36  18.920   4.546   5.693
 1539    HA   VAL  36           HA       VAL  36  16.751   5.570   4.133
 1540    HB   VAL  36           HB       VAL  36  16.838   3.958   6.686
 1541   HG11  VAL  36          HG11      VAL  36  14.420   4.924   5.167
 1542   HG12  VAL  36          HG12      VAL  36  14.845   5.290   6.839
 1543   HG13  VAL  36          HG13      VAL  36  14.387   3.649   6.384
 1544   HG21  VAL  36          HG21      VAL  36  16.004   2.165   5.281
 1545   HG22  VAL  36          HG22      VAL  36  17.488   2.829   4.598
 1546   HG23  VAL  36          HG23      VAL  36  15.927   3.257   3.897
 1547    H    ASP  37           HN       ASP  37  18.004   6.167   7.385
 1548    HA   ASP  37           HA       ASP  37  16.136   8.046   8.251
 1549    HB2  ASP  37           HB2      ASP  37  19.098   7.857   8.848
 1550    HB3  ASP  37           HB1      ASP  37  17.976   8.898   9.718
 1551    H    SER  38           HN       SER  38  19.093   8.451   6.286
 1552    HA   SER  38           HA       SER  38  19.074  11.217   6.189
 1553    HB2  SER  38           HB2      SER  38  20.944   9.895   5.337
 1554    HB3  SER  38           HB1      SER  38  19.938   9.277   4.027
 1555    HG   SER  38           HG       SER  38  20.923  10.939   3.084
 1556    H    TYR  39           HN       TYR  39  17.434   8.863   4.103
 1557    HA   TYR  39           HA       TYR  39  16.267  10.644   2.280
 1558    HB2  TYR  39           HB2      TYR  39  16.048   8.478   1.555
 1559    HB3  TYR  39           HB1      TYR  39  15.725   7.856   3.171
 1560    HD1  TYR  39           HD2      TYR  39  14.184   9.784   0.388
 1561    HD2  TYR  39           HD1      TYR  39  13.522   7.410   3.857
 1562    HE1  TYR  39           HE2      TYR  39  11.781   9.715  -0.120
 1563    HE2  TYR  39           HE1      TYR  39  11.126   7.337   3.360
 1564    HH   TYR  39           HH       TYR  39   9.459   8.635   2.106
 1565    H    ARG  40           HN       ARG  40  15.055   9.333   5.339
 1566    HA   ARG  40           HA       ARG  40  12.517  10.375   5.334
 1567    HB2  ARG  40           HB2      ARG  40  14.450   9.823   7.567
 1568    HB3  ARG  40           HB1      ARG  40  12.832  10.432   7.893
 1569    HG2  ARG  40           HG2      ARG  40  11.851   8.501   6.833
 1570    HG3  ARG  40           HG1      ARG  40  13.450   7.907   6.380
 1571    HD2  ARG  40           HD2      ARG  40  14.038   7.754   8.768
 1572    HD3  ARG  40           HD1      ARG  40  12.409   8.282   9.185
 1573    HE   ARG  40           HE       ARG  40  12.249   6.030   7.513
 1574   HH11  ARG  40          HH11      ARG  40  13.209   6.908  10.746
 1575   HH12  ARG  40          HH12      ARG  40  12.835   5.356  11.417
 1576   HH21  ARG  40          HH21      ARG  40  11.753   3.984   8.388
 1577   HH22  ARG  40          HH22      ARG  40  12.007   3.694  10.077
 1578    H    GLN  41           HN       GLN  41  15.512  11.864   6.424
 1579    HA   GLN  41           HA       GLN  41  14.428  14.265   7.381
 1580    HB2  GLN  41           HB2      GLN  41  16.730  13.596   7.868
 1581    HB3  GLN  41           HB1      GLN  41  17.159  13.768   6.172
 1582    HG2  GLN  41           HG2      GLN  41  16.729  16.156   6.292
 1583    HG3  GLN  41           HG1      GLN  41  16.262  15.995   7.984
 1584   HE21  GLN  41          HE21      GLN  41  18.890  15.964   5.714
 1585   HE22  GLN  41          HE22      GLN  41  20.165  16.073   6.874
 1586    H    GLN  42           HN       GLN  42  15.693  13.401   4.185
 1587    HA   GLN  42           HA       GLN  42  15.382  15.881   2.935
 1588    HB2  GLN  42           HB2      GLN  42  16.688  14.189   1.869
 1589    HB3  GLN  42           HB1      GLN  42  15.334  13.068   1.845
 1590    HG2  GLN  42           HG2      GLN  42  14.208  14.343   0.185
 1591    HG3  GLN  42           HG1      GLN  42  15.369  15.662   0.327
 1592   HE21  GLN  42          HE21      GLN  42  15.913  15.588  -1.841
 1593   HE22  GLN  42          HE22      GLN  42  16.851  14.306  -2.520
 1594    H    GLN  43           HN       GLN  43  13.108  13.215   3.372
 1595    HA   GLN  43           HA       GLN  43  11.046  14.508   1.828
 1596    HB2  GLN  43           HB2      GLN  43  11.178  12.065   1.902
 1597    HB3  GLN  43           HB1      GLN  43  10.940  12.091   3.643
 1598    HG2  GLN  43           HG2      GLN  43   8.708  13.002   3.343
 1599    HG3  GLN  43           HG1      GLN  43   8.946  13.037   1.597
 1600   HE21  GLN  43          HE21      GLN  43   8.648  10.954   4.395
 1601   HE22  GLN  43          HE22      GLN  43   8.144   9.546   3.530
 1602    H    GLN  44           HN       GLN  44  12.125  14.459   5.091
 1603    HA   GLN  44           HA       GLN  44   9.730  15.275   6.372
 1604    HB2  GLN  44           HB2      GLN  44  11.839  14.315   7.456
 1605    HB3  GLN  44           HB1      GLN  44  12.523  15.927   7.305
 1606    HG2  GLN  44           HG2      GLN  44  11.640  15.596   9.521
 1607    HG3  GLN  44           HG1      GLN  44  10.701  16.821   8.670
 1608   HE21  GLN  44          HE21      GLN  44   8.591  16.365   8.053
 1609   HE22  GLN  44          HE22      GLN  44   7.709  15.027   8.701
 1610    H    LEU  45           HN       LEU  45  12.103  16.842   4.467
 1611    HA   LEU  45           HA       LEU  45  11.945  19.490   5.264
 1612    HB2  LEU  45           HB2      LEU  45  13.547  18.944   3.634
 1613    HB3  LEU  45           HB1      LEU  45  12.364  18.169   2.600
 1614    HG   LEU  45           HG       LEU  45  11.441  20.725   2.592
 1615   HD11  LEU  45          HD11      LEU  45  13.321  21.534   3.919
 1616   HD12  LEU  45          HD12      LEU  45  13.339  22.217   2.293
 1617   HD13  LEU  45          HD13      LEU  45  14.445  20.909   2.712
 1618   HD21  LEU  45          HD21      LEU  45  11.691  19.425   0.611
 1619   HD22  LEU  45          HD22      LEU  45  13.448  19.403   0.780
 1620   HD23  LEU  45          HD23      LEU  45  12.618  20.910   0.391
 1621    H    LEU  46           HN       LEU  46   9.659  17.565   3.438
 1622    HA   LEU  46           HA       LEU  46   7.869  19.901   3.317
 1623    HB2  LEU  46           HB2      LEU  46   7.645  17.608   1.406
 1624    HB3  LEU  46           HB1      LEU  46   7.052  19.249   1.233
 1625    HG   LEU  46           HG       LEU  46   9.815  19.528   1.399
 1626   HD11  LEU  46          HD11      LEU  46  10.563  18.035  -0.471
 1627   HD12  LEU  46          HD12      LEU  46   9.076  17.120  -0.229
 1628   HD13  LEU  46          HD13      LEU  46  10.261  17.233   1.070
 1629   HD21  LEU  46          HD21      LEU  46   9.568  19.998  -1.081
 1630   HD22  LEU  46          HD22      LEU  46   8.540  20.929   0.007
 1631   HD23  LEU  46          HD23      LEU  46   7.869  19.566  -0.886
 1632    H    GLN  47           HN       GLN  47   7.574  16.368   2.926
 1633    HA   GLN  47           HA       GLN  47   6.149  14.852   3.854
 1634    HB2  GLN  47           HB2      GLN  47   7.053  16.364   5.964
 1635    HB3  GLN  47           HB1      GLN  47   5.308  16.504   6.127
 1636    HG2  GLN  47           HG2      GLN  47   6.067  14.664   7.441
 1637    HG3  GLN  47           HG1      GLN  47   5.144  14.046   6.072
 1638   HE21  GLN  47          HE21      GLN  47   6.278  13.100   4.325
 1639   HE22  GLN  47          HE22      GLN  47   7.849  12.420   4.555
 1640    H    ARG  48           HN       ARG  48   5.238  17.197   2.178
 1641    HA   ARG  48           HA       ARG  48   2.391  16.731   2.564
 1642    HB2  ARG  48           HB2      ARG  48   1.981  19.215   2.152
 1643    HB3  ARG  48           HB1      ARG  48   2.555  18.757   3.749
 1644    HG2  ARG  48           HG2      ARG  48   4.826  19.407   3.102
 1645    HG3  ARG  48           HG1      ARG  48   4.220  19.903   1.522
 1646    HD2  ARG  48           HD2      ARG  48   3.357  21.050   4.175
 1647    HD3  ARG  48           HD1      ARG  48   4.485  21.807   3.051
 1648    HE   ARG  48           HE       ARG  48   2.085  21.262   1.704
 1649   HH11  ARG  48          HH11      ARG  48   3.335  23.346   4.202
 1650   HH12  ARG  48          HH12      ARG  48   2.206  24.620   3.882
 1651   HH21  ARG  48          HH21      ARG  48   0.596  22.935   1.276
 1652   HH22  ARG  48          HH22      ARG  48   0.650  24.386   2.220
  Start of MODEL   16
    1    H    ASP   1           HT1      ASP   1  -6.407  16.411  16.072
    2    HA   ASP   1           HA       ASP   1  -5.870  16.021  13.763
    3    HB2  ASP   1           HB2      ASP   1  -3.776  15.026  15.711
    4    HB3  ASP   1           HB1      ASP   1  -3.451  15.567  14.067
    5    H    GLU   2           HN       GLU   2  -7.076  14.425  12.730
    6    HA   GLU   2           HA       GLU   2  -5.644  12.068  12.035
    7    HB2  GLU   2           HB2      GLU   2  -7.242  10.404  12.865
    8    HB3  GLU   2           HB1      GLU   2  -6.506  11.292  14.192
    9    HG2  GLU   2           HG2      GLU   2  -8.504  12.664  14.401
   10    HG3  GLU   2           HG1      GLU   2  -9.242  11.807  13.048
   11    H    ASP   3           HN       ASP   3  -7.128  14.429  10.942
   12    HA   ASP   3           HA       ASP   3  -9.254  13.164   9.400
   13    HB2  ASP   3           HB2      ASP   3  -9.265  15.572  10.436
   14    HB3  ASP   3           HB1      ASP   3  -8.349  15.990   8.991
   15    H    THR   4           HN       THR   4  -8.521  15.244   7.201
   16    HA   THR   4           HA       THR   4  -7.041  13.382   5.624
   17    HB   THR   4           HB       THR   4  -7.222  16.108   4.581
   18    HG1  THR   4           HG1      THR   4  -9.663  14.802   4.515
   19   HG21  THR   4          HG21      THR   4  -6.571  14.194   3.198
   20   HG22  THR   4          HG22      THR   4  -8.064  14.921   2.604
   21   HG23  THR   4          HG23      THR   4  -8.122  13.423   3.536
   22    H    TYR   5           HN       TYR   5  -5.052  13.473   4.882
   23    HA   TYR   5           HA       TYR   5  -3.177  15.331   6.186
   24    HB2  TYR   5           HB2      TYR   5  -3.029  12.369   5.813
   25    HB3  TYR   5           HB1      TYR   5  -1.607  13.356   6.133
   26    HD1  TYR   5           HD2      TYR   5  -1.627  14.807   8.239
   27    HD2  TYR   5           HD1      TYR   5  -4.374  11.630   7.574
   28    HE1  TYR   5           HE2      TYR   5  -2.080  14.703  10.652
   29    HE2  TYR   5           HE1      TYR   5  -4.828  11.508   9.988
   30    HH   TYR   5           HH       TYR   5  -3.941  12.143  12.065
   31    H    TYR   6           HN       TYR   6  -1.078  15.504   4.874
   32    HA   TYR   6           HA       TYR   6  -1.568  14.806   2.065
   33    HB2  TYR   6           HB2      TYR   6   0.387  16.921   2.994
   34    HB3  TYR   6           HB1      TYR   6  -0.279  16.697   1.382
   35    HD1  TYR   6           HD2      TYR   6  -3.166  16.355   2.124
   36    HD2  TYR   6           HD1      TYR   6  -0.253  19.149   3.453
   37    HE1  TYR   6           HE2      TYR   6  -4.953  17.960   2.613
   38    HE2  TYR   6           HE1      TYR   6  -2.033  20.772   3.957
   39    HH   TYR   6           HH       TYR   6  -5.316  19.927   4.059
   40    H    LEU   7           HN       LEU   7  -0.306  13.457   1.081
   41    HA   LEU   7           HA       LEU   7   2.114  12.468   2.457
   42    HB2  LEU   7           HB2      LEU   7  -0.206  11.205   1.631
   43    HB3  LEU   7           HB1      LEU   7   0.910  10.869   0.338
   44    HG   LEU   7           HG       LEU   7   2.082   9.379   1.556
   45   HD11  LEU   7          HD11      LEU   7   3.159  10.215   3.305
   46   HD12  LEU   7          HD12      LEU   7   1.782   9.647   4.248
   47   HD13  LEU   7          HD13      LEU   7   1.851  11.322   3.700
   48   HD21  LEU   7          HD21      LEU   7   0.614   8.053   2.898
   49   HD22  LEU   7          HD22      LEU   7  -0.304   8.753   1.560
   50   HD23  LEU   7          HD23      LEU   7  -0.441   9.440   3.178
   51    H    GLN   8           HN       GLN   8   3.845  13.532   1.458
   52    HA   GLN   8           HA       GLN   8   3.731  13.999  -1.337
   53    HB2  GLN   8           HB2      GLN   8   5.106  15.128   0.723
   54    HB3  GLN   8           HB1      GLN   8   6.364  14.198  -0.079
   55    HG2  GLN   8           HG2      GLN   8   5.471  15.307  -2.230
   56    HG3  GLN   8           HG1      GLN   8   4.736  16.461  -1.121
   57   HE21  GLN   8          HE21      GLN   8   7.087  16.045   0.744
   58   HE22  GLN   8          HE22      GLN   8   8.340  17.013   0.059
   59    H    VAL   9           HN       VAL   9   4.110  12.597  -2.858
   60    HA   VAL   9           HA       VAL   9   5.970  10.437  -2.252
   61    HB   VAL   9           HB       VAL   9   3.356  10.323  -3.740
   62   HG11  VAL   9          HG11      VAL   9   4.883   9.156  -5.152
   63   HG12  VAL   9          HG12      VAL   9   3.896   7.971  -4.295
   64   HG13  VAL   9          HG13      VAL   9   5.556   8.274  -3.780
   65   HG21  VAL   9          HG21      VAL   9   4.376   8.525  -1.564
   66   HG22  VAL   9          HG22      VAL   9   2.720   8.714  -2.139
   67   HG23  VAL   9          HG23      VAL   9   3.495  10.018  -1.240
   68    H    ARG  10           HN       ARG  10   7.632  10.153  -3.660
   69    HA   ARG  10           HA       ARG  10   7.646  11.926  -6.002
   70    HB2  ARG  10           HB2      ARG  10   9.496  11.931  -4.156
   71    HB3  ARG  10           HB1      ARG  10  10.074  10.485  -4.969
   72    HG2  ARG  10           HG2      ARG  10   9.594  13.008  -6.501
   73    HG3  ARG  10           HG1      ARG  10  11.089  12.763  -5.597
   74    HD2  ARG  10           HD2      ARG  10  11.423  10.638  -6.848
   75    HD3  ARG  10           HD1      ARG  10  10.008  11.037  -7.820
   76    HE   ARG  10           HE       ARG  10  11.896  13.154  -7.856
   77   HH11  ARG  10          HH11      ARG  10  11.265   9.988  -9.169
   78   HH12  ARG  10          HH12      ARG  10  12.189  10.259 -10.609
   79   HH21  ARG  10          HH21      ARG  10  13.117  13.518  -9.747
   80   HH22  ARG  10          HH22      ARG  10  13.244  12.265 -10.936
   81    H    GLY  11           HN       GLY  11   7.947  11.196  -8.032
   82    HA2  GLY  11           HA2      GLY  11   8.394   9.589  -9.705
   83    HA3  GLY  11           HA1      GLY  11   8.486   8.351  -8.459
   84    H    ARG  12           HN       ARG  12   6.777   9.227 -11.037
   85    HA   ARG  12           HA       ARG  12   4.103   9.217 -10.354
   86    HB2  ARG  12           HB2      ARG  12   5.235   9.532 -12.651
   87    HB3  ARG  12           HB1      ARG  12   5.103   7.785 -12.796
   88    HG2  ARG  12           HG2      ARG  12   3.230   8.713 -13.896
   89    HG3  ARG  12           HG1      ARG  12   2.647   8.033 -12.376
   90    HD2  ARG  12           HD2      ARG  12   2.612  10.227 -11.364
   91    HD3  ARG  12           HD1      ARG  12   3.310  10.938 -12.819
   92    HE   ARG  12           HE       ARG  12   1.106   9.876 -13.825
   93   HH11  ARG  12          HH11      ARG  12   1.543  11.672 -10.871
   94   HH12  ARG  12          HH12      ARG  12  -0.055  12.339 -10.890
   95   HH21  ARG  12          HH21      ARG  12  -0.998  10.748 -13.856
   96   HH22  ARG  12          HH22      ARG  12  -1.499  11.814 -12.587
   97    H    GLU  13           HN       GLU  13   6.082   6.298 -11.025
   98    HA   GLU  13           HA       GLU  13   4.057   4.449 -10.857
   99    HB2  GLU  13           HB2      GLU  13   6.436   4.016 -11.504
  100    HB3  GLU  13           HB1      GLU  13   6.850   4.032  -9.794
  101    HG2  GLU  13           HG2      GLU  13   6.624   1.775 -10.365
  102    HG3  GLU  13           HG1      GLU  13   5.146   2.198  -9.503
  103    H    ASN  14           HN       ASN  14   6.008   5.726  -8.177
  104    HA   ASN  14           HA       ASN  14   4.835   4.152  -6.134
  105    HB2  ASN  14           HB2      ASN  14   6.152   6.863  -5.892
  106    HB3  ASN  14           HB1      ASN  14   5.922   5.682  -4.604
  107   HD21  ASN  14          HD21      ASN  14   8.381   6.866  -5.554
  108   HD22  ASN  14          HD22      ASN  14   9.385   5.563  -6.080
  109    H    PHE  15           HN       PHE  15   4.207   7.431  -7.320
  110    HA   PHE  15           HA       PHE  15   2.254   8.184  -5.488
  111    HB2  PHE  15           HB2      PHE  15   3.371   9.696  -7.098
  112    HB3  PHE  15           HB1      PHE  15   2.437   8.968  -8.401
  113    HD1  PHE  15           HD1      PHE  15   1.380  10.008  -4.971
  114    HD2  PHE  15           HD2      PHE  15   1.042  10.627  -9.177
  115    HE1  PHE  15           HE1      PHE  15  -0.402  11.633  -4.583
  116    HE2  PHE  15           HE2      PHE  15  -0.771  12.252  -8.781
  117    HZ   PHE  15           HZ       PHE  15  -1.488  12.753  -6.476
  118    H    GLU  16           HN       GLU  16   1.879   6.531  -8.614
  119    HA   GLU  16           HA       GLU  16  -0.958   6.386  -8.610
  120    HB2  GLU  16           HB2      GLU  16   1.102   4.615  -9.934
  121    HB3  GLU  16           HB1      GLU  16  -0.624   4.571 -10.269
  122    HG2  GLU  16           HG2      GLU  16  -0.545   6.857 -11.083
  123    HG3  GLU  16           HG1      GLU  16   1.173   6.947 -10.701
  124    H    ILE  17           HN       ILE  17   1.466   4.019  -7.460
  125    HA   ILE  17           HA       ILE  17  -0.443   2.055  -6.797
  126    HB   ILE  17           HB       ILE  17   2.392   2.518  -6.171
  127   HG12  ILE  17          HG12      ILE  17   0.990  -0.109  -6.556
  128   HG13  ILE  17          HG11      ILE  17   1.255   0.968  -7.922
  129   HG21  ILE  17          HG21      ILE  17   1.527   2.267  -3.895
  130   HG22  ILE  17          HG22      ILE  17   2.484   0.863  -4.373
  131   HG23  ILE  17          HG23      ILE  17   0.721   0.768  -4.369
  132   HD11  ILE  17          HD11      ILE  17   2.961  -0.811  -7.661
  133   HD12  ILE  17          HD12      ILE  17   3.439  -0.071  -6.131
  134   HD13  ILE  17          HD13      ILE  17   3.627   0.825  -7.640
  135    H    LEU  18           HN       LEU  18   0.896   4.768  -4.910
  136    HA   LEU  18           HA       LEU  18  -0.464   4.033  -2.498
  137    HB2  LEU  18           HB2      LEU  18   1.082   6.425  -3.438
  138    HB3  LEU  18           HB1      LEU  18   0.208   6.446  -1.919
  139    HG   LEU  18           HG       LEU  18   2.081   4.184  -2.354
  140   HD11  LEU  18          HD11      LEU  18   4.024   5.418  -1.853
  141   HD12  LEU  18          HD12      LEU  18   3.100   6.877  -1.511
  142   HD13  LEU  18          HD13      LEU  18   3.234   6.289  -3.168
  143   HD21  LEU  18          HD21      LEU  18   1.325   5.946  -0.030
  144   HD22  LEU  18          HD22      LEU  18   2.511   4.643   0.051
  145   HD23  LEU  18          HD23      LEU  18   0.825   4.279  -0.314
  146    H    MET  19           HN       MET  19  -1.018   6.303  -5.163
  147    HA   MET  19           HA       MET  19  -3.194   7.652  -4.017
  148    HB2  MET  19           HB2      MET  19  -1.819   8.046  -6.291
  149    HB3  MET  19           HB1      MET  19  -3.190   7.193  -6.975
  150    HG2  MET  19           HG2      MET  19  -3.217   9.793  -5.470
  151    HG3  MET  19           HG1      MET  19  -3.560   9.528  -7.173
  152    HE1  MET  19           HE1      MET  19  -5.802  11.118  -6.573
  153    HE2  MET  19           HE2      MET  19  -5.204  11.109  -4.912
  154    HE3  MET  19           HE3      MET  19  -6.883  10.679  -5.249
  155    H    LYS  20           HN       LYS  20  -3.166   4.868  -6.211
  156    HA   LYS  20           HA       LYS  20  -5.917   4.364  -6.290
  157    HB2  LYS  20           HB2      LYS  20  -3.868   3.254  -7.512
  158    HB3  LYS  20           HB1      LYS  20  -3.935   2.131  -6.162
  159    HG2  LYS  20           HG2      LYS  20  -6.389   2.735  -7.758
  160    HG3  LYS  20           HG1      LYS  20  -5.198   1.568  -8.336
  161    HD2  LYS  20           HD2      LYS  20  -5.421   0.381  -6.146
  162    HD3  LYS  20           HD1      LYS  20  -6.752   1.472  -5.755
  163    HE2  LYS  20           HE2      LYS  20  -6.656  -0.331  -8.169
  164    HE3  LYS  20           HE1      LYS  20  -7.495  -0.711  -6.666
  165    HZ1  LYS  20           HZ1      LYS  20  -8.911   1.201  -6.992
  166    HZ2  LYS  20           HZ2      LYS  20  -8.984   0.202  -8.355
  167    HZ3  LYS  20           HZ3      LYS  20  -8.077   1.628  -8.401
  168    H    LEU  21           HN       LEU  21  -3.428   3.565  -3.966
  169    HA   LEU  21           HA       LEU  21  -5.068   1.923  -2.340
  170    HB2  LEU  21           HB2      LEU  21  -2.472   2.128  -2.512
  171    HB3  LEU  21           HB1      LEU  21  -2.654   3.430  -1.361
  172    HG   LEU  21           HG       LEU  21  -3.062   0.500  -0.978
  173   HD11  LEU  21          HD11      LEU  21  -1.700   2.523   0.772
  174   HD12  LEU  21          HD12      LEU  21  -0.887   1.683  -0.547
  175   HD13  LEU  21          HD13      LEU  21  -1.545   0.768   0.809
  176   HD21  LEU  21          HD21      LEU  21  -4.049   0.953   1.230
  177   HD22  LEU  21          HD22      LEU  21  -5.101   1.452  -0.094
  178   HD23  LEU  21          HD23      LEU  21  -4.180   2.660   0.802
  179    H    LYS  22           HN       LYS  22  -4.209   5.357  -2.129
  180    HA   LYS  22           HA       LYS  22  -5.365   5.918   0.334
  181    HB2  LYS  22           HB2      LYS  22  -4.093   7.629  -0.803
  182    HB3  LYS  22           HB1      LYS  22  -5.212   7.625  -2.160
  183    HG2  LYS  22           HG2      LYS  22  -6.402   8.217   0.467
  184    HG3  LYS  22           HG1      LYS  22  -5.275   9.421  -0.157
  185    HD2  LYS  22           HD2      LYS  22  -7.352   8.356  -1.999
  186    HD3  LYS  22           HD1      LYS  22  -7.855   9.491  -0.744
  187    HE2  LYS  22           HE2      LYS  22  -7.224  10.503  -2.973
  188    HE3  LYS  22           HE1      LYS  22  -6.415  11.179  -1.560
  189    HZ1  LYS  22           HZ1      LYS  22  -4.866  10.808  -3.366
  190    HZ2  LYS  22           HZ2      LYS  22  -5.268   9.166  -3.415
  191    HZ3  LYS  22           HZ3      LYS  22  -4.491   9.805  -2.056
  192    H    GLU  23           HN       GLU  23  -6.734   5.729  -2.877
  193    HA   GLU  23           HA       GLU  23  -9.392   6.403  -2.254
  194    HB2  GLU  23           HB2      GLU  23  -8.423   6.263  -4.555
  195    HB3  GLU  23           HB1      GLU  23  -8.367   4.516  -4.392
  196    HG2  GLU  23           HG2      GLU  23 -10.468   4.317  -5.019
  197    HG3  GLU  23           HG1      GLU  23 -11.009   5.507  -3.839
  198    H    SER  24           HN       SER  24  -7.746   3.231  -2.319
  199    HA   SER  24           HA       SER  24  -9.981   1.745  -1.645
  200    HB2  SER  24           HB2      SER  24  -7.248   0.971  -0.642
  201    HB3  SER  24           HB1      SER  24  -8.522  -0.069  -1.278
  202    HG   SER  24           HG       SER  24  -6.521   0.693  -2.619
  203    H    LEU  25           HN       LEU  25  -7.498   3.065   0.541
  204    HA   LEU  25           HA       LEU  25  -8.592   2.085   2.958
  205    HB2  LEU  25           HB2      LEU  25  -6.725   4.326   2.269
  206    HB3  LEU  25           HB1      LEU  25  -7.272   4.078   3.915
  207    HG   LEU  25           HG       LEU  25  -5.902   1.920   2.322
  208   HD11  LEU  25          HD11      LEU  25  -3.879   2.516   3.640
  209   HD12  LEU  25          HD12      LEU  25  -4.705   3.986   4.155
  210   HD13  LEU  25          HD13      LEU  25  -4.344   3.729   2.449
  211   HD21  LEU  25          HD21      LEU  25  -7.256   1.248   4.287
  212   HD22  LEU  25          HD22      LEU  25  -6.243   2.283   5.296
  213   HD23  LEU  25          HD23      LEU  25  -5.537   0.893   4.464
  214    H    GLU  26           HN       GLU  26  -9.037   5.188   1.302
  215    HA   GLU  26           HA       GLU  26 -10.648   6.321   3.335
  216    HB2  GLU  26           HB2      GLU  26 -10.422   7.006   0.405
  217    HB3  GLU  26           HB1      GLU  26 -11.299   7.971   1.582
  218    HG2  GLU  26           HG2      GLU  26  -8.353   7.521   1.343
  219    HG3  GLU  26           HG1      GLU  26  -9.246   9.038   1.381
  220    H    LEU  27           HN       LEU  27 -11.428   4.622   0.330
  221    HA   LEU  27           HA       LEU  27 -14.241   4.906   0.382
  222    HB2  LEU  27           HB2      LEU  27 -12.350   2.984  -0.899
  223    HB3  LEU  27           HB1      LEU  27 -14.074   2.680  -0.947
  224    HG   LEU  27           HG       LEU  27 -12.736   5.168  -2.019
  225   HD11  LEU  27          HD11      LEU  27 -13.900   2.840  -3.532
  226   HD12  LEU  27          HD12      LEU  27 -12.179   3.103  -3.263
  227   HD13  LEU  27          HD13      LEU  27 -13.109   4.264  -4.209
  228   HD21  LEU  27          HD21      LEU  27 -15.577   4.184  -2.314
  229   HD22  LEU  27          HD22      LEU  27 -14.898   5.644  -3.037
  230   HD23  LEU  27          HD23      LEU  27 -15.061   5.521  -1.285
  231    H    MET  28           HN       MET  28 -12.174   2.491   2.014
  232    HA   MET  28           HA       MET  28 -14.204   0.725   2.540
  233    HB2  MET  28           HB2      MET  28 -11.986   1.401   4.492
  234    HB3  MET  28           HB1      MET  28 -12.943  -0.071   4.505
  235    HG2  MET  28           HG2      MET  28 -11.910  -0.906   2.610
  236    HG3  MET  28           HG1      MET  28 -11.305   0.675   2.127
  237    HE1  MET  28           HE1      MET  28  -9.289  -2.408   4.692
  238    HE2  MET  28           HE2      MET  28 -10.462  -2.578   3.381
  239    HE3  MET  28           HE3      MET  28 -10.998  -2.089   4.991
  240    H    GLU  29           HN       GLU  29 -14.106   3.932   3.715
  241    HA   GLU  29           HA       GLU  29 -15.659   3.315   6.092
  242    HB2  GLU  29           HB2      GLU  29 -15.334   5.526   6.724
  243    HB3  GLU  29           HB1      GLU  29 -13.844   5.138   5.876
  244    HG2  GLU  29           HG2      GLU  29 -14.774   6.216   3.850
  245    HG3  GLU  29           HG1      GLU  29 -16.185   6.688   4.793
  246    H    LEU  30           HN       LEU  30 -16.200   4.064   2.793
  247    HA   LEU  30           HA       LEU  30 -18.848   5.157   3.339
  248    HB2  LEU  30           HB2      LEU  30 -18.660   6.289   1.424
  249    HB3  LEU  30           HB1      LEU  30 -16.966   5.865   1.504
  250    HG   LEU  30           HG       LEU  30 -19.049   4.344  -0.050
  251   HD11  LEU  30          HD11      LEU  30 -18.660   6.577  -0.962
  252   HD12  LEU  30          HD12      LEU  30 -18.005   5.330  -2.023
  253   HD13  LEU  30          HD13      LEU  30 -16.925   6.264  -0.988
  254   HD21  LEU  30          HD21      LEU  30 -16.058   4.079   0.070
  255   HD22  LEU  30          HD22      LEU  30 -17.084   3.289  -1.122
  256   HD23  LEU  30          HD23      LEU  30 -17.248   2.885   0.585
  257    H    VAL  31           HN       VAL  31 -17.533   2.218   3.115
  258    HA   VAL  31           HA       VAL  31 -19.815   1.048   1.689
  259    HB   VAL  31           HB       VAL  31 -17.770   0.111   0.905
  260   HG11  VAL  31          HG11      VAL  31 -16.305   0.775   2.718
  261   HG12  VAL  31          HG12      VAL  31 -16.126  -0.948   2.386
  262   HG13  VAL  31          HG13      VAL  31 -17.056  -0.412   3.785
  263   HG21  VAL  31          HG21      VAL  31 -17.978  -2.285   2.081
  264   HG22  VAL  31          HG22      VAL  31 -19.134  -1.692   0.890
  265   HG23  VAL  31          HG23      VAL  31 -19.500  -1.572   2.610
  266    HA   PRO  32           HA       PRO  32 -21.979   0.569   5.537
  267    HB2  PRO  32           HB2      PRO  32 -22.749  -1.993   4.168
  268    HB3  PRO  32           HB1      PRO  32 -23.764  -0.863   5.073
  269    HG2  PRO  32           HG2      PRO  32 -23.714  -0.844   2.396
  270    HG3  PRO  32           HG1      PRO  32 -23.866   0.653   3.332
  271    HD2  PRO  32           HD2      PRO  32 -21.573  -0.362   1.771
  272    HD3  PRO  32           HD1      PRO  32 -21.965   1.302   2.250
  273    H    GLN  33           HN       GLN  33 -21.144  -0.147   7.399
  274    HA   GLN  33           HA       GLN  33 -18.915  -1.732   7.666
  275    HB2  GLN  33           HB2      GLN  33 -19.746  -0.246   9.425
  276    HB3  GLN  33           HB1      GLN  33 -21.106  -1.323   9.705
  277    HG2  GLN  33           HG2      GLN  33 -19.569  -3.088  10.400
  278    HG3  GLN  33           HG1      GLN  33 -18.205  -2.008  10.118
  279   HE21  GLN  33          HE21      GLN  33 -21.249  -0.949  11.460
  280   HE22  GLN  33          HE22      GLN  33 -20.659  -0.622  13.050
  281    HA   PRO  34           HA       PRO  34 -21.879  -5.511   8.753
  282    HB2  PRO  34           HB2      PRO  34 -24.047  -4.900   6.820
  283    HB3  PRO  34           HB1      PRO  34 -24.146  -5.593   8.442
  284    HG2  PRO  34           HG2      PRO  34 -24.888  -3.076   7.987
  285    HG3  PRO  34           HG1      PRO  34 -24.036  -3.523   9.477
  286    HD2  PRO  34           HD2      PRO  34 -22.990  -2.160   7.029
  287    HD3  PRO  34           HD1      PRO  34 -22.617  -1.854   8.737
  288    H    LEU  35           HN       LEU  35 -21.597  -4.006   5.582
  289    HA   LEU  35           HA       LEU  35 -21.562  -6.495   4.149
  290    HB2  LEU  35           HB2      LEU  35 -22.411  -4.340   3.214
  291    HB3  LEU  35           HB1      LEU  35 -20.773  -3.721   3.246
  292    HG   LEU  35           HG       LEU  35 -20.085  -5.330   1.582
  293   HD11  LEU  35          HD11      LEU  35 -22.920  -6.337   1.627
  294   HD12  LEU  35          HD12      LEU  35 -21.511  -7.199   2.246
  295   HD13  LEU  35          HD13      LEU  35 -21.646  -6.854   0.522
  296   HD21  LEU  35          HD21      LEU  35 -22.638  -3.932   0.821
  297   HD22  LEU  35          HD22      LEU  35 -21.428  -4.545  -0.306
  298   HD23  LEU  35          HD23      LEU  35 -21.018  -3.234   0.800
  299    H    VAL  36           HN       VAL  36 -19.228  -4.298   5.536
  300    HA   VAL  36           HA       VAL  36 -16.926  -5.472   4.246
  301    HB   VAL  36           HB       VAL  36 -17.157  -3.676   6.678
  302   HG11  VAL  36          HG11      VAL  36 -14.697  -3.413   6.480
  303   HG12  VAL  36          HG12      VAL  36 -14.687  -4.724   5.299
  304   HG13  VAL  36          HG13      VAL  36 -15.190  -5.037   6.960
  305   HG21  VAL  36          HG21      VAL  36 -16.202  -1.976   5.208
  306   HG22  VAL  36          HG22      VAL  36 -17.708  -2.611   4.548
  307   HG23  VAL  36          HG23      VAL  36 -16.162  -3.137   3.881
  308    H    ASP  37           HN       ASP  37 -18.631  -5.918   7.300
  309    HA   ASP  37           HA       ASP  37 -16.815  -7.685   8.497
  310    HB2  ASP  37           HB2      ASP  37 -18.755  -6.693   9.683
  311    HB3  ASP  37           HB1      ASP  37 -19.839  -7.686   8.713
  312    H    SER  38           HN       SER  38 -19.559  -8.258   6.277
  313    HA   SER  38           HA       SER  38 -19.392 -11.036   6.214
  314    HB2  SER  38           HB2      SER  38 -20.229  -9.147   4.000
  315    HB3  SER  38           HB1      SER  38 -20.566 -10.877   4.043
  316    HG   SER  38           HG       SER  38 -21.351  -9.742   6.343
  317    H    TYR  39           HN       TYR  39 -17.735  -8.627   4.179
  318    HA   TYR  39           HA       TYR  39 -16.425 -10.441   2.496
  319    HB2  TYR  39           HB2      TYR  39 -16.293  -8.259   1.723
  320    HB3  TYR  39           HB1      TYR  39 -15.909  -7.610   3.316
  321    HD1  TYR  39           HD2      TYR  39 -14.518  -9.502   0.453
  322    HD2  TYR  39           HD1      TYR  39 -13.673  -7.336   4.013
  323    HE1  TYR  39           HE2      TYR  39 -12.127  -9.526  -0.106
  324    HE2  TYR  39           HE1      TYR  39 -11.289  -7.367   3.472
  325    HH   TYR  39           HH       TYR  39  -9.712  -8.698   2.127
  326    H    ARG  40           HN       ARG  40 -15.423  -8.990   5.560
  327    HA   ARG  40           HA       ARG  40 -12.846 -10.016   5.718
  328    HB2  ARG  40           HB2      ARG  40 -14.867  -9.320   7.837
  329    HB3  ARG  40           HB1      ARG  40 -13.251  -9.884   8.246
  330    HG2  ARG  40           HG2      ARG  40 -12.275  -8.004   7.072
  331    HG3  ARG  40           HG1      ARG  40 -13.881  -7.452   6.590
  332    HD2  ARG  40           HD2      ARG  40 -14.470  -7.218   8.982
  333    HD3  ARG  40           HD1      ARG  40 -12.818  -7.666   9.404
  334    HE   ARG  40           HE       ARG  40 -12.937  -5.442   7.608
  335   HH11  ARG  40          HH11      ARG  40 -13.156  -6.392  10.954
  336   HH12  ARG  40          HH12      ARG  40 -12.685  -4.839  11.559
  337   HH21  ARG  40          HH21      ARG  40 -12.319  -3.394   8.397
  338   HH22  ARG  40          HH22      ARG  40 -12.209  -3.135  10.106
  339    H    GLN  41           HN       GLN  41 -15.927 -11.528   6.423
  340    HA   GLN  41           HA       GLN  41 -14.886 -13.860   7.685
  341    HB2  GLN  41           HB2      GLN  41 -17.231 -13.192   7.929
  342    HB3  GLN  41           HB1      GLN  41 -17.490 -13.431   6.207
  343    HG2  GLN  41           HG2      GLN  41 -17.003 -15.813   6.468
  344    HG3  GLN  41           HG1      GLN  41 -16.763 -15.567   8.197
  345   HE21  GLN  41          HE21      GLN  41 -18.417 -16.982   8.735
  346   HE22  GLN  41          HE22      GLN  41 -20.083 -16.581   8.518
  347    H    GLN  42           HN       GLN  42 -15.881 -13.157   4.343
  348    HA   GLN  42           HA       GLN  42 -15.364 -15.698   3.288
  349    HB2  GLN  42           HB2      GLN  42 -16.618 -13.910   2.107
  350    HB3  GLN  42           HB1      GLN  42 -15.110 -13.037   1.874
  351    HG2  GLN  42           HG2      GLN  42 -15.533 -14.143  -0.150
  352    HG3  GLN  42           HG1      GLN  42 -14.263 -15.070   0.646
  353   HE21  GLN  42          HE21      GLN  42 -16.166 -15.888  -1.405
  354   HE22  GLN  42          HE22      GLN  42 -17.032 -17.232  -0.749
  355    H    GLN  43           HN       GLN  43 -13.264 -12.974   3.937
  356    HA   GLN  43           HA       GLN  43 -10.996 -14.164   2.603
  357    HB2  GLN  43           HB2      GLN  43 -11.215 -11.739   2.628
  358    HB3  GLN  43           HB1      GLN  43 -11.216 -11.733   4.386
  359    HG2  GLN  43           HG2      GLN  43  -9.063 -11.050   3.450
  360    HG3  GLN  43           HG1      GLN  43  -8.933 -12.508   4.433
  361   HE21  GLN  43          HE21      GLN  43  -7.049 -13.183   3.449
  362   HE22  GLN  43          HE22      GLN  43  -7.005 -13.786   1.831
  363    H    GLN  44           HN       GLN  44 -12.329 -13.998   5.812
  364    HA   GLN  44           HA       GLN  44 -10.040 -14.760   7.275
  365    HB2  GLN  44           HB2      GLN  44 -12.333 -13.873   8.117
  366    HB3  GLN  44           HB1      GLN  44 -12.827 -15.557   8.060
  367    HG2  GLN  44           HG2      GLN  44 -12.065 -14.803  10.289
  368    HG3  GLN  44           HG1      GLN  44 -11.178 -16.183   9.649
  369   HE21  GLN  44          HE21      GLN  44 -10.678 -12.865   8.612
  370   HE22  GLN  44          HE22      GLN  44  -9.094 -12.704   9.273
  371    H    LEU  45           HN       LEU  45 -12.261 -16.479   5.284
  372    HA   LEU  45           HA       LEU  45 -11.991 -19.092   6.193
  373    HB2  LEU  45           HB2      LEU  45 -13.577 -18.910   4.549
  374    HB3  LEU  45           HB1      LEU  45 -12.622 -17.790   3.600
  375    HG   LEU  45           HG       LEU  45 -11.130 -19.913   3.157
  376   HD11  LEU  45          HD11      LEU  45 -12.292 -21.398   4.673
  377   HD12  LEU  45          HD12      LEU  45 -12.486 -21.953   3.010
  378   HD13  LEU  45          HD13      LEU  45 -13.811 -21.117   3.821
  379   HD21  LEU  45          HD21      LEU  45 -12.550 -20.409   1.174
  380   HD22  LEU  45          HD22      LEU  45 -12.193 -18.697   1.401
  381   HD23  LEU  45          HD23      LEU  45 -13.778 -19.335   1.847
  382    H    LEU  46           HN       LEU  46 -10.053 -17.354   3.782
  383    HA   LEU  46           HA       LEU  46  -7.812 -19.160   4.351
  384    HB2  LEU  46           HB2      LEU  46  -8.703 -20.010   2.319
  385    HB3  LEU  46           HB1      LEU  46  -8.914 -18.403   1.655
  386    HG   LEU  46           HG       LEU  46  -6.450 -18.156   1.536
  387   HD11  LEU  46          HD11      LEU  46  -5.027 -20.090   1.845
  388   HD12  LEU  46          HD12      LEU  46  -6.415 -21.057   2.341
  389   HD13  LEU  46          HD13      LEU  46  -5.878 -19.708   3.340
  390   HD21  LEU  46          HD21      LEU  46  -6.127 -19.669  -0.351
  391   HD22  LEU  46          HD22      LEU  46  -7.724 -18.921  -0.404
  392   HD23  LEU  46          HD23      LEU  46  -7.550 -20.591   0.135
  393    H    GLN  47           HN       GLN  47  -6.659 -17.675   5.502
  394    HA   GLN  47           HA       GLN  47  -6.179 -15.030   4.363
  395    HB2  GLN  47           HB2      GLN  47  -6.657 -15.712   6.893
  396    HB3  GLN  47           HB1      GLN  47  -4.911 -15.914   6.911
  397    HG2  GLN  47           HG2      GLN  47  -6.189 -13.397   5.913
  398    HG3  GLN  47           HG1      GLN  47  -5.873 -13.662   7.627
  399   HE21  GLN  47          HE21      GLN  47  -4.471 -13.133   4.496
  400   HE22  GLN  47          HE22      GLN  47  -2.871 -12.785   5.045
  401    H    ARG  48           HN       ARG  48  -5.103 -17.033   2.826
  402    HA   ARG  48           HA       ARG  48  -2.255 -16.447   3.068
  403    HB2  ARG  48           HB2      ARG  48  -3.358 -19.249   2.798
  404    HB3  ARG  48           HB1      ARG  48  -1.664 -18.817   2.615
  405    HG2  ARG  48           HG2      ARG  48  -1.650 -18.010   4.938
  406    HG3  ARG  48           HG1      ARG  48  -3.324 -18.542   5.106
  407    HD2  ARG  48           HD2      ARG  48  -2.641 -20.839   4.617
  408    HD3  ARG  48           HD1      ARG  48  -0.969 -20.307   4.442
  409    HE   ARG  48           HE       ARG  48  -1.999 -19.570   6.977
  410   HH11  ARG  48          HH11      ARG  48  -0.826 -22.308   5.170
  411   HH12  ARG  48          HH12      ARG  48  -0.292 -23.170   6.574
  412   HH21  ARG  48          HH21      ARG  48  -1.298 -20.697   8.831
  413   HH22  ARG  48          HH22      ARG  48  -0.560 -22.254   8.655
  414    H    ASP   1           HT1      ASP   1   6.369  16.423 -16.076
  415    HA   ASP   1           HA       ASP   1   5.833  16.031 -13.767
  416    HB2  ASP   1           HB2      ASP   1   3.742  15.031 -15.715
  417    HB3  ASP   1           HB1      ASP   1   3.415  15.571 -14.071
  418    H    GLU   2           HN       GLU   2   7.043  14.438 -12.734
  419    HA   GLU   2           HA       GLU   2   5.616  12.079 -12.039
  420    HB2  GLU   2           HB2      GLU   2   7.217  10.419 -12.867
  421    HB3  GLU   2           HB1      GLU   2   6.480  11.305 -14.195
  422    HG2  GLU   2           HG2      GLU   2   8.475  12.681 -14.403
  423    HG3  GLU   2           HG1      GLU   2   9.214  11.827 -13.050
  424    H    ASP   3           HN       ASP   3   7.094  14.444 -10.946
  425    HA   ASP   3           HA       ASP   3   9.223  13.184  -9.404
  426    HB2  ASP   3           HB2      ASP   3   9.229  15.593 -10.440
  427    HB3  ASP   3           HB1      ASP   3   8.312  16.008  -8.995
  428    H    THR   4           HN       THR   4   8.485  15.263  -7.204
  429    HA   THR   4           HA       THR   4   7.010  13.398  -5.627
  430    HB   THR   4           HB       THR   4   7.185  16.124  -4.584
  431    HG1  THR   4           HG1      THR   4   9.628  14.823  -4.518
  432   HG21  THR   4          HG21      THR   4   6.539  14.209  -3.200
  433   HG22  THR   4          HG22      THR   4   8.031  14.941  -2.608
  434   HG23  THR   4          HG23      THR   4   8.092  13.442  -3.539
  435    H    TYR   5           HN       TYR   5   5.020  13.483  -4.886
  436    HA   TYR   5           HA       TYR   5   3.141  15.338  -6.190
  437    HB2  TYR   5           HB2      TYR   5   2.999  12.375  -5.816
  438    HB3  TYR   5           HB1      TYR   5   1.575  13.360  -6.137
  439    HD1  TYR   5           HD2      TYR   5   1.592  14.809  -8.244
  440    HD2  TYR   5           HD1      TYR   5   4.348  11.640  -7.576
  441    HE1  TYR   5           HE2      TYR   5   2.045  14.705 -10.657
  442    HE2  TYR   5           HE1      TYR   5   4.803  11.518  -9.991
  443    HH   TYR   5           HH       TYR   5   3.913  12.149 -12.069
  444    H    TYR   6           HN       TYR   6   1.042  15.507  -4.878
  445    HA   TYR   6           HA       TYR   6   1.533  14.808  -2.070
  446    HB2  TYR   6           HB2      TYR   6  -0.427  16.919  -2.998
  447    HB3  TYR   6           HB1      TYR   6   0.239  16.697  -1.386
  448    HD1  TYR   6           HD2      TYR   6   3.127  16.362  -2.127
  449    HD2  TYR   6           HD1      TYR   6   0.208  19.149  -3.459
  450    HE1  TYR   6           HE2      TYR   6   4.911  17.971  -2.616
  451    HE2  TYR   6           HE1      TYR   6   1.984  20.775  -3.963
  452    HH   TYR   6           HH       TYR   6   5.267  19.939  -4.065
  453    H    LEU   7           HN       LEU   7   0.274  13.456  -1.083
  454    HA   LEU   7           HA       LEU   7  -2.143  12.462  -2.461
  455    HB2  LEU   7           HB2      LEU   7   0.180  11.204  -1.635
  456    HB3  LEU   7           HB1      LEU   7  -0.936  10.865  -0.342
  457    HG   LEU   7           HG       LEU   7  -2.104   9.372  -1.560
  458   HD11  LEU   7          HD11      LEU   7  -3.182  10.206  -3.309
  459   HD12  LEU   7          HD12      LEU   7  -1.804   9.640  -4.251
  460   HD13  LEU   7          HD13      LEU   7  -1.876  11.315  -3.705
  461   HD21  LEU   7          HD21      LEU   7  -0.631   8.050  -2.900
  462   HD22  LEU   7          HD22      LEU   7   0.283   8.753  -1.562
  463   HD23  LEU   7          HD23      LEU   7   0.419   9.440  -3.181
  464    H    GLN   8           HN       GLN   8  -3.877  13.523  -1.462
  465    HA   GLN   8           HA       GLN   8  -3.763  13.989   1.333
  466    HB2  GLN   8           HB2      GLN   8  -5.141  15.114  -0.728
  467    HB3  GLN   8           HB1      GLN   8  -6.398  14.182   0.074
  468    HG2  GLN   8           HG2      GLN   8  -5.505  15.294   2.226
  469    HG3  GLN   8           HG1      GLN   8  -4.774  16.450   1.117
  470   HE21  GLN   8          HE21      GLN   8  -7.125  16.026  -0.748
  471   HE22  GLN   8          HE22      GLN   8  -8.380  16.991  -0.064
  472    H    VAL   9           HN       VAL   9  -4.138  12.586   2.854
  473    HA   VAL   9           HA       VAL   9  -5.994  10.422   2.249
  474    HB   VAL   9           HB       VAL   9  -3.379  10.314   3.736
  475   HG11  VAL   9          HG11      VAL   9  -4.903   9.144   5.149
  476   HG12  VAL   9          HG12      VAL   9  -3.914   7.962   4.293
  477   HG13  VAL   9          HG13      VAL   9  -5.574   8.260   3.778
  478   HG21  VAL   9          HG21      VAL   9  -4.395   8.514   1.560
  479   HG22  VAL   9          HG22      VAL   9  -2.739   8.707   2.136
  480   HG23  VAL   9          HG23      VAL   9  -3.518  10.010   1.237
  481    H    ARG  10           HN       ARG  10  -7.656  10.135   3.657
  482    HA   ARG  10           HA       ARG  10  -7.674  11.908   5.999
  483    HB2  ARG  10           HB2      ARG  10  -9.524  11.908   4.152
  484    HB3  ARG  10           HB1      ARG  10 -10.098  10.460   4.965
  485    HG2  ARG  10           HG2      ARG  10  -9.625  12.984   6.497
  486    HG3  ARG  10           HG1      ARG  10 -11.119  12.736   5.593
  487    HD2  ARG  10           HD2      ARG  10 -11.448  10.610   6.845
  488    HD3  ARG  10           HD1      ARG  10 -10.034  11.012   7.816
  489    HE   ARG  10           HE       ARG  10 -11.928  13.125   7.852
  490   HH11  ARG  10          HH11      ARG  10 -11.288   9.961   9.167
  491   HH12  ARG  10          HH12      ARG  10 -12.214  10.231  10.605
  492   HH21  ARG  10          HH21      ARG  10 -13.150  13.487   9.743
  493   HH22  ARG  10          HH22      ARG  10 -13.272  12.234  10.933
  494    H    GLY  11           HN       GLY  11  -7.971  11.178   8.029
  495    HA2  GLY  11           HA2      GLY  11  -8.417   9.569   9.701
  496    HA3  GLY  11           HA1      GLY  11  -8.505   8.331   8.455
  497    H    ARG  12           HN       ARG  12  -6.798   9.212  11.034
  498    HA   ARG  12           HA       ARG  12  -4.124   9.208  10.351
  499    HB2  ARG  12           HB2      ARG  12  -5.257   9.521  12.647
  500    HB3  ARG  12           HB1      ARG  12  -5.122   7.774  12.792
  501    HG2  ARG  12           HG2      ARG  12  -3.251   8.707  13.892
  502    HG3  ARG  12           HG1      ARG  12  -2.666   8.028  12.373
  503    HD2  ARG  12           HD2      ARG  12  -2.637  10.222  11.360
  504    HD3  ARG  12           HD1      ARG  12  -3.336  10.932  12.816
  505    HE   ARG  12           HE       ARG  12  -1.130   9.875  13.821
  506   HH11  ARG  12          HH11      ARG  12  -1.571  11.669  10.867
  507   HH12  ARG  12          HH12      ARG  12   0.025  12.340  10.885
  508   HH21  ARG  12          HH21      ARG  12   0.972  10.752  13.852
  509   HH22  ARG  12          HH22      ARG  12   1.471  11.818  12.582
  510    H    GLU  13           HN       GLU  13  -6.096   6.284  11.023
  511    HA   GLU  13           HA       GLU  13  -4.067   4.440  10.856
  512    HB2  GLU  13           HB2      GLU  13  -6.445   4.001  11.502
  513    HB3  GLU  13           HB1      GLU  13  -6.858   4.016   9.792
  514    HG2  GLU  13           HG2      GLU  13  -6.628   1.760  10.363
  515    HG3  GLU  13           HG1      GLU  13  -5.150   2.186   9.501
  516    H    ASN  14           HN       ASN  14  -6.021   5.712   8.175
  517    HA   ASN  14           HA       ASN  14  -4.844   4.141   6.131
  518    HB2  ASN  14           HB2      ASN  14  -6.168   6.848   5.889
  519    HB3  ASN  14           HB1      ASN  14  -5.935   5.668   4.601
  520   HD21  ASN  14          HD21      ASN  14  -8.396   6.845   5.550
  521   HD22  ASN  14          HD22      ASN  14  -9.397   5.540   6.077
  522    H    PHE  15           HN       PHE  15  -4.224   7.421   7.318
  523    HA   PHE  15           HA       PHE  15  -2.274   8.179   5.486
  524    HB2  PHE  15           HB2      PHE  15  -3.394   9.689   7.095
  525    HB3  PHE  15           HB1      PHE  15  -2.459   8.963   8.399
  526    HD1  PHE  15           HD1      PHE  15  -1.403  10.005   4.969
  527    HD2  PHE  15           HD2      PHE  15  -1.068  10.626   9.175
  528    HE1  PHE  15           HE1      PHE  15   0.374  11.634   4.580
  529    HE2  PHE  15           HE2      PHE  15   0.740  12.255   8.778
  530    HZ   PHE  15           HZ       PHE  15   1.457  12.758   6.473
  531    H    GLU  16           HN       GLU  16  -1.894   6.527   8.612
  532    HA   GLU  16           HA       GLU  16   0.943   6.389   8.608
  533    HB2  GLU  16           HB2      GLU  16  -1.113   4.613   9.932
  534    HB3  GLU  16           HB1      GLU  16   0.613   4.573  10.267
  535    HG2  GLU  16           HG2      GLU  16   0.529   6.859  11.080
  536    HG3  GLU  16           HG1      GLU  16  -1.190   6.945  10.699
  537    H    ILE  17           HN       ILE  17  -1.474   4.016   7.459
  538    HA   ILE  17           HA       ILE  17   0.439   2.056   6.795
  539    HB   ILE  17           HB       ILE  17  -2.398   2.512   6.169
  540   HG12  ILE  17          HG12      ILE  17  -0.989  -0.111   6.556
  541   HG13  ILE  17          HG11      ILE  17  -1.257   0.965   7.921
  542   HG21  ILE  17          HG21      ILE  17  -1.531   2.263   3.895
  543   HG22  ILE  17          HG22      ILE  17  -2.485   0.857   4.373
  544   HG23  ILE  17          HG23      ILE  17  -0.721   0.766   4.369
  545   HD11  ILE  17          HD11      ILE  17  -2.958  -0.818   7.660
  546   HD12  ILE  17          HD12      ILE  17  -3.438  -0.080   6.130
  547   HD13  ILE  17          HD13      ILE  17  -3.629   0.816   7.639
  548    H    LEU  18           HN       LEU  18  -0.906   4.766   4.908
  549    HA   LEU  18           HA       LEU  18   0.455   4.034   2.496
  550    HB2  LEU  18           HB2      LEU  18  -1.097   6.422   3.437
  551    HB3  LEU  18           HB1      LEU  18  -0.222   6.446   1.918
  552    HG   LEU  18           HG       LEU  18  -2.089   4.179   2.353
  553   HD11  LEU  18          HD11      LEU  18  -4.036   5.408   1.850
  554   HD12  LEU  18          HD12      LEU  18  -3.115   6.870   1.509
  555   HD13  LEU  18          HD13      LEU  18  -3.248   6.281   3.166
  556   HD21  LEU  18          HD21      LEU  18  -1.337   5.941   0.027
  557   HD22  LEU  18          HD22      LEU  18  -2.520   4.636  -0.052
  558   HD23  LEU  18          HD23      LEU  18  -0.833   4.276   0.312
  559    H    MET  19           HN       MET  19   1.005   6.305   5.160
  560    HA   MET  19           HA       MET  19   3.177   7.658   4.015
  561    HB2  MET  19           HB2      MET  19   1.800   8.049   6.288
  562    HB3  MET  19           HB1      MET  19   3.174   7.201   6.973
  563    HG2  MET  19           HG2      MET  19   3.194   9.800   5.467
  564    HG3  MET  19           HG1      MET  19   3.538   9.536   7.170
  565    HE1  MET  19           HE1      MET  19   5.775  11.131   6.570
  566    HE2  MET  19           HE2      MET  19   5.176  11.121   4.910
  567    HE3  MET  19           HE3      MET  19   6.857  10.697   5.246
  568    H    LYS  20           HN       LYS  20   3.155   4.875   6.209
  569    HA   LYS  20           HA       LYS  20   5.907   4.378   6.289
  570    HB2  LYS  20           HB2      LYS  20   3.860   3.264   7.510
  571    HB3  LYS  20           HB1      LYS  20   3.931   2.140   6.161
  572    HG2  LYS  20           HG2      LYS  20   6.384   2.752   7.756
  573    HG3  LYS  20           HG1      LYS  20   5.196   1.583   8.336
  574    HD2  LYS  20           HD2      LYS  20   5.420   0.395   6.147
  575    HD3  LYS  20           HD1      LYS  20   6.748   1.488   5.754
  576    HE2  LYS  20           HE2      LYS  20   6.657  -0.313   8.169
  577    HE3  LYS  20           HE1      LYS  20   7.496  -0.692   6.666
  578    HZ1  LYS  20           HZ1      LYS  20   8.908   1.224   6.991
  579    HZ2  LYS  20           HZ2      LYS  20   8.985   0.225   8.354
  580    HZ3  LYS  20           HZ3      LYS  20   8.074   1.649   8.400
  581    H    LEU  21           HN       LEU  21   3.421   3.573   3.965
  582    HA   LEU  21           HA       LEU  21   5.065   1.934   2.339
  583    HB2  LEU  21           HB2      LEU  21   2.468   2.133   2.511
  584    HB3  LEU  21           HB1      LEU  21   2.647   3.435   1.359
  585    HG   LEU  21           HG       LEU  21   3.063   0.507   0.976
  586   HD11  LEU  21          HD11      LEU  21   1.696   2.525  -0.774
  587   HD12  LEU  21          HD12      LEU  21   0.885   1.685   0.546
  588   HD13  LEU  21          HD13      LEU  21   1.544   0.770  -0.809
  589   HD21  LEU  21          HD21      LEU  21   4.047   0.961  -1.232
  590   HD22  LEU  21          HD22      LEU  21   5.099   1.464   0.091
  591   HD23  LEU  21          HD23      LEU  21   4.174   2.668  -0.805
  592    H    LYS  22           HN       LYS  22   4.198   5.367   2.128
  593    HA   LYS  22           HA       LYS  22   5.352   5.931  -0.336
  594    HB2  LYS  22           HB2      LYS  22   4.076   7.638   0.801
  595    HB3  LYS  22           HB1      LYS  22   5.195   7.637   2.157
  596    HG2  LYS  22           HG2      LYS  22   6.383   8.232  -0.470
  597    HG3  LYS  22           HG1      LYS  22   5.253   9.434   0.155
  598    HD2  LYS  22           HD2      LYS  22   7.333   8.373   1.996
  599    HD3  LYS  22           HD1      LYS  22   7.832   9.510   0.741
  600    HE2  LYS  22           HE2      LYS  22   7.201  10.521   2.970
  601    HE3  LYS  22           HE1      LYS  22   6.390  11.193   1.557
  602    HZ1  LYS  22           HZ1      LYS  22   4.841  10.820   3.362
  603    HZ2  LYS  22           HZ2      LYS  22   5.247   9.178   3.413
  604    HZ3  LYS  22           HZ3      LYS  22   4.469   9.815   2.053
  605    H    GLU  23           HN       GLU  23   6.722   5.746   2.876
  606    HA   GLU  23           HA       GLU  23   9.378   6.425   2.253
  607    HB2  GLU  23           HB2      GLU  23   8.408   6.283   4.554
  608    HB3  GLU  23           HB1      GLU  23   8.355   4.536   4.390
  609    HG2  GLU  23           HG2      GLU  23  10.456   4.340   5.018
  610    HG3  GLU  23           HG1      GLU  23  10.996   5.530   3.837
  611    H    SER  24           HN       SER  24   7.739   3.250   2.317
  612    HA   SER  24           HA       SER  24   9.978   1.769   1.644
  613    HB2  SER  24           HB2      SER  24   7.247   0.988   0.640
  614    HB3  SER  24           HB1      SER  24   8.523  -0.049   1.277
  615    HG   SER  24           HG       SER  24   6.521   0.709   2.618
  616    H    LEU  25           HN       LEU  25   7.493   3.083  -0.542
  617    HA   LEU  25           HA       LEU  25   8.587   2.105  -2.959
  618    HB2  LEU  25           HB2      LEU  25   6.716   4.342  -2.270
  619    HB3  LEU  25           HB1      LEU  25   7.264   4.095  -3.916
  620    HG   LEU  25           HG       LEU  25   5.899   1.933  -2.324
  621   HD11  LEU  25          HD11      LEU  25   3.875   2.523  -3.640
  622   HD12  LEU  25          HD12      LEU  25   4.695   3.996  -4.156
  623   HD13  LEU  25          HD13      LEU  25   4.337   3.737  -2.450
  624   HD21  LEU  25          HD21      LEU  25   7.255   1.265  -4.288
  625   HD22  LEU  25          HD22      LEU  25   6.240   2.298  -5.297
  626   HD23  LEU  25          HD23      LEU  25   5.536   0.906  -4.466
  627    H    GLU  26           HN       GLU  26   9.025   5.209  -1.303
  628    HA   GLU  26           HA       GLU  26  10.634   6.346  -3.336
  629    HB2  GLU  26           HB2      GLU  26  10.405   7.031  -0.405
  630    HB3  GLU  26           HB1      GLU  26  11.281   7.998  -1.584
  631    HG2  GLU  26           HG2      GLU  26   8.336   7.541  -1.344
  632    HG3  GLU  26           HG1      GLU  26   9.226   9.060  -1.383
  633    H    LEU  27           HN       LEU  27  11.418   4.649  -0.329
  634    HA   LEU  27           HA       LEU  27  14.230   4.940  -0.382
  635    HB2  LEU  27           HB2      LEU  27  12.343   3.013   0.899
  636    HB3  LEU  27           HB1      LEU  27  14.069   2.714   0.947
  637    HG   LEU  27           HG       LEU  27  12.724   5.197   2.018
  638   HD11  LEU  27          HD11      LEU  27  13.893   2.873   3.531
  639   HD12  LEU  27          HD12      LEU  27  12.171   3.132   3.262
  640   HD13  LEU  27          HD13      LEU  27  13.098   4.295   4.208
  641   HD21  LEU  27          HD21      LEU  27  15.567   4.219   2.313
  642   HD22  LEU  27          HD22      LEU  27  14.885   5.679   3.035
  643   HD23  LEU  27          HD23      LEU  27  15.048   5.555   1.283
  644    H    MET  28           HN       MET  28  12.168   2.519  -2.014
  645    HA   MET  28           HA       MET  28  14.203   0.758  -2.541
  646    HB2  MET  28           HB2      MET  28  11.984   1.429  -4.492
  647    HB3  MET  28           HB1      MET  28  12.944  -0.041  -4.505
  648    HG2  MET  28           HG2      MET  28  11.914  -0.879  -2.612
  649    HG3  MET  28           HG1      MET  28  11.305   0.700  -2.127
  650    HE1  MET  28           HE1      MET  28   9.296  -2.388  -4.692
  651    HE2  MET  28           HE2      MET  28  10.469  -2.555  -3.381
  652    HE3  MET  28           HE3      MET  28  11.004  -2.064  -4.991
  653    H    GLU  29           HN       GLU  29  14.098   3.965  -3.716
  654    HA   GLU  29           HA       GLU  29  15.653   3.351  -6.092
  655    HB2  GLU  29           HB2      GLU  29  15.322   5.560  -6.726
  656    HB3  GLU  29           HB1      GLU  29  13.833   5.170  -5.877
  657    HG2  GLU  29           HG2      GLU  29  14.761   6.251  -3.851
  658    HG3  GLU  29           HG1      GLU  29  16.170   6.726  -4.794
  659    H    LEU  30           HN       LEU  30  16.192   4.100  -2.792
  660    HA   LEU  30           HA       LEU  30  18.836   5.202  -3.340
  661    HB2  LEU  30           HB2      LEU  30  18.645   6.334  -1.425
  662    HB3  LEU  30           HB1      LEU  30  16.952   5.904  -1.504
  663    HG   LEU  30           HG       LEU  30  19.041   4.390   0.049
  664   HD11  LEU  30          HD11      LEU  30  18.646   6.622   0.960
  665   HD12  LEU  30          HD12      LEU  30  17.995   5.374   2.023
  666   HD13  LEU  30          HD13      LEU  30  16.912   6.305   0.987
  667   HD21  LEU  30          HD21      LEU  30  16.049   4.116  -0.070
  668   HD22  LEU  30          HD22      LEU  30  17.079   3.328   1.122
  669   HD23  LEU  30          HD23      LEU  30  17.243   2.925  -0.586
  670    H    VAL  31           HN       VAL  31  17.527   2.259  -3.113
  671    HA   VAL  31           HA       VAL  31  19.814   1.095  -1.689
  672    HB   VAL  31           HB       VAL  31  17.771   0.152  -0.904
  673   HG11  VAL  31          HG11      VAL  31  16.305   0.812  -2.717
  674   HG12  VAL  31          HG12      VAL  31  16.130  -0.911  -2.384
  675   HG13  VAL  31          HG13      VAL  31  17.058  -0.372  -3.784
  676   HG21  VAL  31          HG21      VAL  31  17.986  -2.244  -2.079
  677   HG22  VAL  31          HG22      VAL  31  19.141  -1.647  -0.890
  678   HG23  VAL  31          HG23      VAL  31  19.505  -1.526  -2.610
  679    HA   PRO  32           HA       PRO  32  21.979   0.620  -5.537
  680    HB2  PRO  32           HB2      PRO  32  22.757  -1.939  -4.168
  681    HB3  PRO  32           HB1      PRO  32  23.768  -0.806  -5.072
  682    HG2  PRO  32           HG2      PRO  32  23.718  -0.788  -2.396
  683    HG3  PRO  32           HG1      PRO  32  23.866   0.710  -3.331
  684    HD2  PRO  32           HD2      PRO  32  21.576  -0.311  -1.771
  685    HD3  PRO  32           HD1      PRO  32  21.963   1.354  -2.249
  686    H    GLN  33           HN       GLN  33  21.147  -0.098  -7.398
  687    HA   GLN  33           HA       GLN  33  18.921  -1.689  -7.666
  688    HB2  GLN  33           HB2      GLN  33  19.749  -0.200  -9.424
  689    HB3  GLN  33           HB1      GLN  33  21.111  -1.274  -9.704
  690    HG2  GLN  33           HG2      GLN  33  19.579  -3.042 -10.399
  691    HG3  GLN  33           HG1      GLN  33  18.212  -1.966 -10.117
  692   HE21  GLN  33          HE21      GLN  33  21.254  -0.901 -11.460
  693   HE22  GLN  33          HE22      GLN  33  20.662  -0.574 -13.049
  694    HA   PRO  34           HA       PRO  34  21.894  -5.459  -8.752
  695    HB2  PRO  34           HB2      PRO  34  24.061  -4.843  -6.818
  696    HB3  PRO  34           HB1      PRO  34  24.161  -5.536  -8.440
  697    HG2  PRO  34           HG2      PRO  34  24.897  -3.017  -7.986
  698    HG3  PRO  34           HG1      PRO  34  24.046  -3.466  -9.476
  699    HD2  PRO  34           HD2      PRO  34  22.996  -2.104  -7.029
  700    HD3  PRO  34           HD1      PRO  34  22.623  -1.802  -8.737
  701    H    LEU  35           HN       LEU  35  21.606  -3.955  -5.581
  702    HA   LEU  35           HA       LEU  35  21.578  -6.444  -4.147
  703    HB2  LEU  35           HB2      LEU  35  22.423  -4.286  -3.214
  704    HB3  LEU  35           HB1      LEU  35  20.784  -3.672  -3.245
  705    HG   LEU  35           HG       LEU  35  20.099  -5.282  -1.581
  706   HD11  LEU  35          HD11      LEU  35  22.937  -6.281  -1.626
  707   HD12  LEU  35          HD12      LEU  35  21.530  -7.147  -2.245
  708   HD13  LEU  35          HD13      LEU  35  21.665  -6.802  -0.520
  709   HD21  LEU  35          HD21      LEU  35  22.649  -3.877  -0.820
  710   HD22  LEU  35          HD22      LEU  35  21.441  -4.493   0.307
  711   HD23  LEU  35          HD23      LEU  35  21.028  -3.183  -0.799
  712    H    VAL  36           HN       VAL  36  19.239  -4.252  -5.535
  713    HA   VAL  36           HA       VAL  36  16.941  -5.432  -4.244
  714    HB   VAL  36           HB       VAL  36  17.167  -3.636  -6.677
  715   HG11  VAL  36          HG11      VAL  36  14.707  -3.380  -6.480
  716   HG12  VAL  36          HG12      VAL  36  14.700  -4.690  -5.299
  717   HG13  VAL  36          HG13      VAL  36  15.203  -5.003  -6.960
  718   HG21  VAL  36          HG21      VAL  36  16.208  -1.939  -5.208
  719   HG22  VAL  36          HG22      VAL  36  17.716  -2.571  -4.547
  720   HG23  VAL  36          HG23      VAL  36  16.171  -3.100  -3.880
  721    H    ASP  37           HN       ASP  37  18.648  -5.874  -7.299
  722    HA   ASP  37           HA       ASP  37  16.835  -7.645  -8.495
  723    HB2  ASP  37           HB2      ASP  37  18.773  -6.650  -9.681
  724    HB3  ASP  37           HB1      ASP  37  19.859  -7.639  -8.711
  725    H    SER  38           HN       SER  38  19.583  -8.213  -6.275
  726    HA   SER  38           HA       SER  38  19.421 -10.991  -6.212
  727    HB2  SER  38           HB2      SER  38  20.253  -9.099  -3.998
  728    HB3  SER  38           HB1      SER  38  20.595 -10.828  -4.041
  729    HG   SER  38           HG       SER  38  21.376  -9.690  -6.342
  730    H    TYR  39           HN       TYR  39  17.759  -8.585  -4.178
  731    HA   TYR  39           HA       TYR  39  16.453 -10.402  -2.494
  732    HB2  TYR  39           HB2      TYR  39  16.316  -8.220  -1.721
  733    HB3  TYR  39           HB1      TYR  39  15.930  -7.572  -3.314
  734    HD1  TYR  39           HD2      TYR  39  14.542  -9.467  -0.452
  735    HD2  TYR  39           HD1      TYR  39  13.693  -7.304  -4.012
  736    HE1  TYR  39           HE2      TYR  39  12.151  -9.497   0.107
  737    HE2  TYR  39           HE1      TYR  39  11.309  -7.340  -3.473
  738    HH   TYR  39           HH       TYR  39   9.735  -8.676  -2.128
  739    H    ARG  40           HN       ARG  40  15.447  -8.954  -5.559
  740    HA   ARG  40           HA       ARG  40  12.872  -9.986  -5.716
  741    HB2  ARG  40           HB2      ARG  40  14.892  -9.286  -7.835
  742    HB3  ARG  40           HB1      ARG  40  13.278  -9.853  -8.244
  743    HG2  ARG  40           HG2      ARG  40  12.297  -7.976  -7.071
  744    HG3  ARG  40           HG1      ARG  40  13.901  -7.420  -6.589
  745    HD2  ARG  40           HD2      ARG  40  14.490  -7.186  -8.982
  746    HD3  ARG  40           HD1      ARG  40  12.839  -7.637  -9.403
  747    HE   ARG  40           HE       ARG  40  12.953  -5.412  -7.607
  748   HH11  ARG  40          HH11      ARG  40  13.175  -6.363 -10.954
  749   HH12  ARG  40          HH12      ARG  40  12.698  -4.812 -11.559
  750   HH21  ARG  40          HH21      ARG  40  12.327  -3.367  -8.397
  751   HH22  ARG  40          HH22      ARG  40  12.219  -3.109 -10.106
  752    H    GLN  41           HN       GLN  41  15.957 -11.491  -6.420
  753    HA   GLN  41           HA       GLN  41  14.921 -13.826  -7.683
  754    HB2  GLN  41           HB2      GLN  41  17.265 -13.151  -7.927
  755    HB3  GLN  41           HB1      GLN  41  17.524 -13.389  -6.204
  756    HG2  GLN  41           HG2      GLN  41  17.044 -15.772  -6.465
  757    HG3  GLN  41           HG1      GLN  41  16.803 -15.528  -8.194
  758   HE21  GLN  41          HE21      GLN  41  18.460 -16.938  -8.732
  759   HE22  GLN  41          HE22      GLN  41  20.126 -16.534  -8.515
  760    H    GLN  42           HN       GLN  42  15.914 -13.118  -4.340
  761    HA   GLN  42           HA       GLN  42  15.404 -15.662  -3.285
  762    HB2  GLN  42           HB2      GLN  42  16.654 -13.870  -2.104
  763    HB3  GLN  42           HB1      GLN  42  15.143 -13.001  -1.871
  764    HG2  GLN  42           HG2      GLN  42  15.569 -14.106   0.153
  765    HG3  GLN  42           HG1      GLN  42  14.302 -15.037  -0.644
  766   HE21  GLN  42          HE21      GLN  42  16.207 -15.848   1.408
  767   HE22  GLN  42          HE22      GLN  42  17.076 -17.190   0.753
  768    H    GLN  43           HN       GLN  43  13.297 -12.942  -3.934
  769    HA   GLN  43           HA       GLN  43  11.033 -14.139  -2.600
  770    HB2  GLN  43           HB2      GLN  43  11.245 -11.713  -2.626
  771    HB3  GLN  43           HB1      GLN  43  11.247 -11.707  -4.384
  772    HG2  GLN  43           HG2      GLN  43   9.091 -11.029  -3.448
  773    HG3  GLN  43           HG1      GLN  43   8.966 -12.487  -4.430
  774   HE21  GLN  43          HE21      GLN  43   7.083 -13.167  -3.447
  775   HE22  GLN  43          HE22      GLN  43   7.041 -13.769  -1.828
  776    H    GLN  44           HN       GLN  44  12.365 -13.971  -5.810
  777    HA   GLN  44           HA       GLN  44  10.078 -14.738  -7.272
  778    HB2  GLN  44           HB2      GLN  44  12.369 -13.846  -8.115
  779    HB3  GLN  44           HB1      GLN  44  12.866 -15.529  -8.057
  780    HG2  GLN  44           HG2      GLN  44  12.104 -14.777 -10.286
  781    HG3  GLN  44           HG1      GLN  44  11.219 -16.159  -9.647
  782   HE21  GLN  44          HE21      GLN  44  10.711 -12.842  -8.609
  783   HE22  GLN  44          HE22      GLN  44   9.127 -12.684  -9.272
  784    H    LEU  45           HN       LEU  45  12.304 -16.450  -5.280
  785    HA   LEU  45           HA       LEU  45  12.040 -19.065  -6.189
  786    HB2  LEU  45           HB2      LEU  45  13.625 -18.878  -4.546
  787    HB3  LEU  45           HB1      LEU  45  12.668 -17.760  -3.597
  788    HG   LEU  45           HG       LEU  45  11.180 -19.887  -3.154
  789   HD11  LEU  45          HD11      LEU  45  12.347 -21.370  -4.669
  790   HD12  LEU  45          HD12      LEU  45  12.542 -21.924  -3.006
  791   HD13  LEU  45          HD13      LEU  45  13.864 -21.084  -3.817
  792   HD21  LEU  45          HD21      LEU  45  12.601 -20.380  -1.171
  793   HD22  LEU  45          HD22      LEU  45  12.238 -18.668  -1.398
  794   HD23  LEU  45          HD23      LEU  45  13.825 -19.301  -1.843
  795    H    LEU  46           HN       LEU  46  10.098 -17.330  -3.779
  796    HA   LEU  46           HA       LEU  46   7.861 -19.142  -4.349
  797    HB2  LEU  46           HB2      LEU  46   8.754 -19.989  -2.317
  798    HB3  LEU  46           HB1      LEU  46   8.960 -18.382  -1.653
  799    HG   LEU  46           HG       LEU  46   6.496 -18.143  -1.533
  800   HD11  LEU  46          HD11      LEU  46   5.077 -20.080  -1.842
  801   HD12  LEU  46          HD12      LEU  46   6.468 -21.044  -2.338
  802   HD13  LEU  46          HD13      LEU  46   5.928 -19.697  -3.338
  803   HD21  LEU  46          HD21      LEU  46   6.177 -19.656   0.354
  804   HD22  LEU  46          HD22      LEU  46   7.772 -18.903   0.406
  805   HD23  LEU  46          HD23      LEU  46   7.602 -20.573  -0.133
  806    H    GLN  47           HN       GLN  47   6.707 -17.658  -5.501
  807    HA   GLN  47           HA       GLN  47   6.216 -15.016  -4.362
  808    HB2  GLN  47           HB2      GLN  47   6.697 -15.698  -6.892
  809    HB3  GLN  47           HB1      GLN  47   4.951 -15.903  -6.909
  810    HG2  GLN  47           HG2      GLN  47   6.224 -13.384  -5.911
  811    HG3  GLN  47           HG1      GLN  47   5.909 -13.649  -7.625
  812   HE21  GLN  47          HE21      GLN  47   4.505 -13.122  -4.494
  813   HE22  GLN  47          HE22      GLN  47   2.904 -12.779  -5.043
  814    H    ARG  48           HN       ARG  48   5.147 -17.022  -2.824
  815    HA   ARG  48           HA       ARG  48   2.297 -16.443  -3.065
  816    HB2  ARG  48           HB2      ARG  48   3.406 -19.243  -2.795
  817    HB3  ARG  48           HB1      ARG  48   1.711 -18.813  -2.613
  818    HG2  ARG  48           HG2      ARG  48   1.696 -18.008  -4.937
  819    HG3  ARG  48           HG1      ARG  48   3.371 -18.537  -5.104
  820    HD2  ARG  48           HD2      ARG  48   2.694 -20.835  -4.614
  821    HD3  ARG  48           HD1      ARG  48   1.021 -20.307  -4.438
  822    HE   ARG  48           HE       ARG  48   2.049 -19.568  -6.974
  823   HH11  ARG  48          HH11      ARG  48   0.883 -22.309  -5.166
  824   HH12  ARG  48          HH12      ARG  48   0.351 -23.171  -6.570
  825   HH21  ARG  48          HH21      ARG  48   1.352 -20.696  -8.828
  826   HH22  ARG  48          HH22      ARG  48   0.617 -22.255  -8.652
  827    H    ASP   1           HT1      ASP   1  -6.342 -16.398 -16.095
  828    HA   ASP   1           HA       ASP   1  -5.810 -16.011 -13.783
  829    HB2  ASP   1           HB2      ASP   1  -3.715 -15.008 -15.726
  830    HB3  ASP   1           HB1      ASP   1  -3.391 -15.551 -14.082
  831    H    GLU   2           HN       GLU   2  -7.024 -14.420 -12.752
  832    HA   GLU   2           HA       GLU   2  -5.597 -12.062 -12.049
  833    HB2  GLU   2           HB2      GLU   2  -7.197 -10.400 -12.878
  834    HB3  GLU   2           HB1      GLU   2  -6.456 -11.283 -14.206
  835    HG2  GLU   2           HG2      GLU   2  -8.451 -12.659 -14.421
  836    HG3  GLU   2           HG1      GLU   2  -9.193 -11.806 -13.068
  837    H    ASP   3           HN       ASP   3  -7.076 -14.427 -10.961
  838    HA   ASP   3           HA       ASP   3  -9.209 -13.170  -9.421
  839    HB2  ASP   3           HB2      ASP   3  -9.212 -15.576 -10.462
  840    HB3  ASP   3           HB1      ASP   3  -8.298 -15.995  -9.016
  841    H    THR   4           HN       THR   4  -8.475 -15.252  -7.224
  842    HA   THR   4           HA       THR   4  -7.003 -13.390  -5.641
  843    HB   THR   4           HB       THR   4  -7.180 -16.117  -4.602
  844    HG1  THR   4           HG1      THR   4  -9.624 -14.816  -4.541
  845   HG21  THR   4          HG21      THR   4  -6.537 -14.202  -3.216
  846   HG22  THR   4          HG22      THR   4  -8.028 -14.936  -2.625
  847   HG23  THR   4          HG23      THR   4  -8.090 -13.436  -3.555
  848    H    TYR   5           HN       TYR   5  -5.015 -13.476  -4.898
  849    HA   TYR   5           HA       TYR   5  -3.134 -15.329  -6.199
  850    HB2  TYR   5           HB2      TYR   5  -2.993 -12.367  -5.823
  851    HB3  TYR   5           HB1      TYR   5  -1.567 -13.351  -6.142
  852    HD1  TYR   5           HD2      TYR   5  -1.580 -14.798  -8.251
  853    HD2  TYR   5           HD1      TYR   5  -4.337 -11.630  -7.583
  854    HE1  TYR   5           HE2      TYR   5  -2.028 -14.690 -10.665
  855    HE2  TYR   5           HE1      TYR   5  -4.788 -11.505  -9.998
  856    HH   TYR   5           HH       TYR   5  -3.894 -12.133 -12.076
  857    H    TYR   6           HN       TYR   6  -1.037 -15.500  -4.884
  858    HA   TYR   6           HA       TYR   6  -1.533 -14.804  -2.076
  859    HB2  TYR   6           HB2      TYR   6   0.428 -16.914  -3.003
  860    HB3  TYR   6           HB1      TYR   6  -0.241 -16.695  -1.393
  861    HD1  TYR   6           HD2      TYR   6  -3.127 -16.358  -2.138
  862    HD2  TYR   6           HD1      TYR   6  -0.206 -19.143  -3.469
  863    HE1  TYR   6           HE2      TYR   6  -4.910 -17.967  -2.633
  864    HE2  TYR   6           HE1      TYR   6  -1.981 -20.769  -3.978
  865    HH   TYR   6           HH       TYR   6  -5.264 -19.931  -4.086
  866    H    LEU   7           HN       LEU   7  -0.277 -13.454  -1.086
  867    HA   LEU   7           HA       LEU   7   2.144 -12.459  -2.457
  868    HB2  LEU   7           HB2      LEU   7  -0.181 -11.202  -1.635
  869    HB3  LEU   7           HB1      LEU   7   0.932 -10.864  -0.339
  870    HG   LEU   7           HG       LEU   7   2.102  -9.371  -1.553
  871   HD11  LEU   7          HD11      LEU   7   3.185 -10.204  -3.301
  872   HD12  LEU   7          HD12      LEU   7   1.809  -9.636  -4.245
  873   HD13  LEU   7          HD13      LEU   7   1.879 -11.312  -3.700
  874   HD21  LEU   7          HD21      LEU   7   0.634  -8.047  -2.895
  875   HD22  LEU   7          HD22      LEU   7  -0.283  -8.750  -1.560
  876   HD23  LEU   7          HD23      LEU   7  -0.417  -9.435  -3.179
  877    H    GLN   8           HN       GLN   8   3.875 -13.522  -1.456
  878    HA   GLN   8           HA       GLN   8   3.756 -13.991   1.339
  879    HB2  GLN   8           HB2      GLN   8   5.138 -15.114  -0.722
  880    HB3  GLN   8           HB1      GLN   8   6.393 -14.183   0.085
  881    HG2  GLN   8           HG2      GLN   8   5.498 -15.299   2.233
  882    HG3  GLN   8           HG1      GLN   8   4.768 -16.453   1.120
  883   HE21  GLN   8          HE21      GLN   8   7.120 -16.027  -0.741
  884   HE22  GLN   8          HE22      GLN   8   8.375 -16.994  -0.058
  885    H    VAL   9           HN       VAL   9   4.129 -12.590   2.862
  886    HA   VAL   9           HA       VAL   9   5.987 -10.427   2.263
  887    HB   VAL   9           HB       VAL   9   3.369 -10.320   3.745
  888   HG11  VAL   9          HG11      VAL   9   4.892  -9.152   5.162
  889   HG12  VAL   9          HG12      VAL   9   3.904  -7.968   4.306
  890   HG13  VAL   9          HG13      VAL   9   5.566  -8.266   3.793
  891   HG21  VAL   9          HG21      VAL   9   4.390  -8.517   1.574
  892   HG22  VAL   9          HG22      VAL   9   2.733  -8.710   2.145
  893   HG23  VAL   9          HG23      VAL   9   3.514 -10.011   1.246
  894    H    ARG  10           HN       ARG  10   7.646 -10.142   3.673
  895    HA   ARG  10           HA       ARG  10   7.660 -11.915   6.014
  896    HB2  ARG  10           HB2      ARG  10   9.513 -11.915   4.171
  897    HB3  ARG  10           HB1      ARG  10  10.086 -10.468   4.987
  898    HG2  ARG  10           HG2      ARG  10   9.609 -12.994   6.514
  899    HG3  ARG  10           HG1      ARG  10  11.105 -12.745   5.614
  900    HD2  ARG  10           HD2      ARG  10  11.431 -10.621   6.870
  901    HD3  ARG  10           HD1      ARG  10  10.015 -11.025   7.838
  902    HE   ARG  10           HE       ARG  10  11.909 -13.137   7.873
  903   HH11  ARG  10          HH11      ARG  10  11.269  -9.975   9.192
  904   HH12  ARG  10          HH12      ARG  10  12.191 -10.248  10.632
  905   HH21  ARG  10          HH21      ARG  10  13.128 -13.503   9.767
  906   HH22  ARG  10          HH22      ARG  10  13.248 -12.252  10.958
  907    H    GLY  11           HN       GLY  11   7.956 -11.188   8.046
  908    HA2  GLY  11           HA2      GLY  11   8.397  -9.582   9.721
  909    HA3  GLY  11           HA1      GLY  11   8.486  -8.342   8.477
  910    H    ARG  12           HN       ARG  12   6.774  -9.227  11.052
  911    HA   ARG  12           HA       ARG  12   4.101  -9.224  10.364
  912    HB2  ARG  12           HB2      ARG  12   5.229  -9.540  12.662
  913    HB3  ARG  12           HB1      ARG  12   5.095  -7.793  12.810
  914    HG2  ARG  12           HG2      ARG  12   3.222  -8.726  13.905
  915    HG3  ARG  12           HG1      ARG  12   2.639  -8.044  12.386
  916    HD2  ARG  12           HD2      ARG  12   2.611 -10.237  11.370
  917    HD3  ARG  12           HD1      ARG  12   3.307 -10.949  12.825
  918    HE   ARG  12           HE       ARG  12   1.098  -9.894  13.828
  919   HH11  ARG  12          HH11      ARG  12   1.547 -11.685  10.871
  920   HH12  ARG  12          HH12      ARG  12  -0.049 -12.356  10.886
  921   HH21  ARG  12          HH21      ARG  12  -1.003 -10.772  13.853
  922   HH22  ARG  12          HH22      ARG  12  -1.498 -11.838  12.580
  923    H    GLU  13           HN       GLU  13   6.072  -6.301  11.044
  924    HA   GLU  13           HA       GLU  13   4.044  -4.456  10.874
  925    HB2  GLU  13           HB2      GLU  13   6.421  -4.018  11.526
  926    HB3  GLU  13           HB1      GLU  13   6.837  -4.031   9.817
  927    HG2  GLU  13           HG2      GLU  13   6.606  -1.776  10.392
  928    HG3  GLU  13           HG1      GLU  13   5.130  -2.199   9.525
  929    H    ASN  14           HN       ASN  14   6.003  -5.723   8.194
  930    HA   ASN  14           HA       ASN  14   4.830  -4.150   6.151
  931    HB2  ASN  14           HB2      ASN  14   6.154  -6.856   5.908
  932    HB3  ASN  14           HB1      ASN  14   5.923  -5.674   4.622
  933   HD21  ASN  14          HD21      ASN  14   8.381  -6.854   5.575
  934   HD22  ASN  14          HD22      ASN  14   9.381  -5.550   6.105
  935    H    PHE  15           HN       PHE  15   4.207  -7.431   7.334
  936    HA   PHE  15           HA       PHE  15   2.260  -8.187   5.496
  937    HB2  PHE  15           HB2      PHE  15   3.376  -9.699   7.105
  938    HB3  PHE  15           HB1      PHE  15   2.439  -8.975   8.407
  939    HD1  PHE  15           HD1      PHE  15   1.390 -10.010   4.974
  940    HD2  PHE  15           HD2      PHE  15   1.043 -10.639   9.178
  941    HE1  PHE  15           HE1      PHE  15  -0.388 -11.638   4.577
  942    HE2  PHE  15           HE2      PHE  15  -0.765 -12.267   8.774
  943    HZ   PHE  15           HZ       PHE  15  -1.475 -12.764   6.465
  944    H    GLU  16           HN       GLU  16   1.875  -6.539   8.622
  945    HA   GLU  16           HA       GLU  16  -0.962  -6.400   8.614
  946    HB2  GLU  16           HB2      GLU  16   1.091  -4.628   9.946
  947    HB3  GLU  16           HB1      GLU  16  -0.635  -4.589  10.278
  948    HG2  GLU  16           HG2      GLU  16  -0.553  -6.875  11.088
  949    HG3  GLU  16           HG1      GLU  16   1.166  -6.961  10.709
  950    H    ILE  17           HN       ILE  17   1.458  -4.026   7.472
  951    HA   ILE  17           HA       ILE  17  -0.453  -2.065   6.809
  952    HB   ILE  17           HB       ILE  17   2.384  -2.521   6.188
  953   HG12  ILE  17          HG12      ILE  17   0.977   0.102   6.572
  954   HG13  ILE  17          HG11      ILE  17   1.238  -0.973   7.937
  955   HG21  ILE  17          HG21      ILE  17   1.524  -2.271   3.911
  956   HG22  ILE  17          HG22      ILE  17   2.476  -0.864   4.393
  957   HG23  ILE  17          HG23      ILE  17   0.713  -0.774   4.384
  958   HD11  ILE  17          HD11      ILE  17   2.942   0.806   7.684
  959   HD12  ILE  17          HD12      ILE  17   3.426   0.071   6.154
  960   HD13  ILE  17          HD13      ILE  17   3.612  -0.828   7.661
  961    H    LEU  18           HN       LEU  18   0.895  -4.773   4.921
  962    HA   LEU  18           HA       LEU  18  -0.463  -4.038   2.506
  963    HB2  LEU  18           HB2      LEU  18   1.088  -6.427   3.447
  964    HB3  LEU  18           HB1      LEU  18   0.216  -6.448   1.926
  965    HG   LEU  18           HG       LEU  18   2.083  -4.182   2.368
  966   HD11  LEU  18          HD11      LEU  18   4.030  -5.412   1.868
  967   HD12  LEU  18          HD12      LEU  18   3.109  -6.873   1.522
  968   HD13  LEU  18          HD13      LEU  18   3.240  -6.287   3.180
  969   HD21  LEU  18          HD21      LEU  18   1.336  -5.942   0.039
  970   HD22  LEU  18          HD22      LEU  18   2.518  -4.635  -0.037
  971   HD23  LEU  18          HD23      LEU  18   0.830  -4.277   0.325
  972    H    MET  19           HN       MET  19  -1.017  -6.311   5.168
  973    HA   MET  19           HA       MET  19  -3.186  -7.664   4.017
  974    HB2  MET  19           HB2      MET  19  -1.814  -8.057   6.292
  975    HB3  MET  19           HB1      MET  19  -3.189  -7.209   6.975
  976    HG2  MET  19           HG2      MET  19  -3.206  -9.806   5.466
  977    HG3  MET  19           HG1      MET  19  -3.554  -9.544   7.169
  978    HE1  MET  19           HE1      MET  19  -5.791 -11.138   6.562
  979    HE2  MET  19           HE2      MET  19  -5.189 -11.128   4.903
  980    HE3  MET  19           HE3      MET  19  -6.870 -10.702   5.236
  981    H    LYS  20           HN       LYS  20  -3.169  -4.883   6.214
  982    HA   LYS  20           HA       LYS  20  -5.921  -4.386   6.290
  983    HB2  LYS  20           HB2      LYS  20  -3.876  -3.274   7.516
  984    HB3  LYS  20           HB1      LYS  20  -3.944  -2.148   6.168
  985    HG2  LYS  20           HG2      LYS  20  -6.400  -2.762   7.758
  986    HG3  LYS  20           HG1      LYS  20  -5.213  -1.593   8.341
  987    HD2  LYS  20           HD2      LYS  20  -5.435  -0.403   6.152
  988    HD3  LYS  20           HD1      LYS  20  -6.762  -1.496   5.756
  989    HE2  LYS  20           HE2      LYS  20  -6.675   0.303   8.174
  990    HE3  LYS  20           HE1      LYS  20  -7.512   0.684   6.670
  991    HZ1  LYS  20           HZ1      LYS  20  -8.924  -1.233   6.991
  992    HZ2  LYS  20           HZ2      LYS  20  -9.003  -0.236   8.355
  993    HZ3  LYS  20           HZ3      LYS  20  -8.092  -1.661   8.400
  994    H    LEU  21           HN       LEU  21  -3.431  -3.579   3.970
  995    HA   LEU  21           HA       LEU  21  -5.071  -1.937   2.344
  996    HB2  LEU  21           HB2      LEU  21  -2.475  -2.137   2.521
  997    HB3  LEU  21           HB1      LEU  21  -2.651  -3.437   1.366
  998    HG   LEU  21           HG       LEU  21  -3.066  -0.507   0.988
  999   HD11  LEU  21          HD11      LEU  21  -1.697  -2.523  -0.762
 1000   HD12  LEU  21          HD12      LEU  21  -0.888  -1.685   0.561
 1001   HD13  LEU  21          HD13      LEU  21  -1.544  -0.769  -0.795
 1002   HD21  LEU  21          HD21      LEU  21  -4.047  -0.959  -1.222
 1003   HD22  LEU  21          HD22      LEU  21  -5.101  -1.464   0.099
 1004   HD23  LEU  21          HD23      LEU  21  -4.173  -2.667  -0.797
 1005    H    LYS  22           HN       LYS  22  -4.204  -5.369   2.130
 1006    HA   LYS  22           HA       LYS  22  -5.353  -5.929  -0.337
 1007    HB2  LYS  22           HB2      LYS  22  -4.079  -7.638   0.800
 1008    HB3  LYS  22           HB1      LYS  22  -5.201  -7.639   2.154
 1009    HG2  LYS  22           HG2      LYS  22  -6.385  -8.230  -0.476
 1010    HG3  LYS  22           HG1      LYS  22  -5.256  -9.433   0.148
 1011    HD2  LYS  22           HD2      LYS  22  -7.339  -8.375   1.988
 1012    HD3  LYS  22           HD1      LYS  22  -7.836  -9.510   0.730
 1013    HE2  LYS  22           HE2      LYS  22  -7.209 -10.524   2.958
 1014    HE3  LYS  22           HE1      LYS  22  -6.395 -11.195   1.545
 1015    HZ1  LYS  22           HZ1      LYS  22  -4.850 -10.824   3.355
 1016    HZ2  LYS  22           HZ2      LYS  22  -5.256  -9.183   3.407
 1017    HZ3  LYS  22           HZ3      LYS  22  -4.475  -9.817   2.049
 1018    H    GLU  23           HN       GLU  23  -6.729  -5.748   2.872
 1019    HA   GLU  23           HA       GLU  23  -9.384  -6.427   2.244
 1020    HB2  GLU  23           HB2      GLU  23  -8.418  -6.289   4.546
 1021    HB3  GLU  23           HB1      GLU  23  -8.364  -4.542   4.385
 1022    HG2  GLU  23           HG2      GLU  23 -10.467  -4.345   5.010
 1023    HG3  GLU  23           HG1      GLU  23 -11.005  -5.534   3.828
 1024    H    SER  24           HN       SER  24  -7.746  -3.252   2.315
 1025    HA   SER  24           HA       SER  24  -9.984  -1.771   1.641
 1026    HB2  SER  24           HB2      SER  24  -7.251  -0.989   0.643
 1027    HB3  SER  24           HB1      SER  24  -8.528   0.047   1.279
 1028    HG   SER  24           HG       SER  24  -6.528  -0.712   2.622
 1029    H    LEU  25           HN       LEU  25  -7.494  -3.081  -0.542
 1030    HA   LEU  25           HA       LEU  25  -8.584  -2.100  -2.960
 1031    HB2  LEU  25           HB2      LEU  25  -6.713  -4.337  -2.272
 1032    HB3  LEU  25           HB1      LEU  25  -7.259  -4.089  -3.919
 1033    HG   LEU  25           HG       LEU  25  -5.897  -1.928  -2.322
 1034   HD11  LEU  25          HD11      LEU  25  -3.870  -2.518  -3.634
 1035   HD12  LEU  25          HD12      LEU  25  -4.690  -3.990  -4.153
 1036   HD13  LEU  25          HD13      LEU  25  -4.336  -3.733  -2.445
 1037   HD21  LEU  25          HD21      LEU  25  -7.248  -1.259  -4.290
 1038   HD22  LEU  25          HD22      LEU  25  -6.229  -2.292  -5.296
 1039   HD23  LEU  25          HD23      LEU  25  -5.528  -0.901  -4.463
 1040    H    GLU  26           HN       GLU  26  -9.025  -5.206  -1.310
 1041    HA   GLU  26           HA       GLU  26 -10.630  -6.340  -3.347
 1042    HB2  GLU  26           HB2      GLU  26 -10.408  -7.031  -0.418
 1043    HB3  GLU  26           HB1      GLU  26 -11.281  -7.995  -1.600
 1044    HG2  GLU  26           HG2      GLU  26  -8.336  -7.539  -1.354
 1045    HG3  GLU  26           HG1      GLU  26  -9.226  -9.058  -1.396
 1046    H    LEU  27           HN       LEU  27 -11.419  -4.647  -0.340
 1047    HA   LEU  27           HA       LEU  27 -14.231  -4.937  -0.398
 1048    HB2  LEU  27           HB2      LEU  27 -12.347  -3.012   0.889
 1049    HB3  LEU  27           HB1      LEU  27 -14.073  -2.714   0.935
 1050    HG   LEU  27           HG       LEU  27 -12.729  -5.199   2.003
 1051   HD11  LEU  27          HD11      LEU  27 -13.902  -2.877   3.518
 1052   HD12  LEU  27          HD12      LEU  27 -12.179  -3.135   3.252
 1053   HD13  LEU  27          HD13      LEU  27 -13.108  -4.299   4.195
 1054   HD21  LEU  27          HD21      LEU  27 -15.573  -4.223   2.295
 1055   HD22  LEU  27          HD22      LEU  27 -14.892  -5.683   3.017
 1056   HD23  LEU  27          HD23      LEU  27 -15.052  -5.557   1.265
 1057    H    MET  28           HN       MET  28 -12.167  -2.514  -2.023
 1058    HA   MET  28           HA       MET  28 -14.201  -0.751  -2.552
 1059    HB2  MET  28           HB2      MET  28 -11.978  -1.421  -4.500
 1060    HB3  MET  28           HB1      MET  28 -12.937   0.049  -4.512
 1061    HG2  MET  28           HG2      MET  28 -11.909   0.882  -2.614
 1062    HG3  MET  28           HG1      MET  28 -11.302  -0.699  -2.133
 1063    HE1  MET  28           HE1      MET  28  -9.286   2.391  -4.692
 1064    HE2  MET  28           HE2      MET  28 -10.461   2.559  -3.383
 1065    HE3  MET  28           HE3      MET  28 -10.995   2.069  -4.993
 1066    H    GLU  29           HN       GLU  29 -14.092  -3.957  -3.731
 1067    HA   GLU  29           HA       GLU  29 -15.643  -3.341  -6.110
 1068    HB2  GLU  29           HB2      GLU  29 -15.312  -5.549  -6.745
 1069    HB3  GLU  29           HB1      GLU  29 -13.825  -5.161  -5.893
 1070    HG2  GLU  29           HG2      GLU  29 -14.756  -6.244  -3.870
 1071    HG3  GLU  29           HG1      GLU  29 -16.164  -6.718  -4.817
 1072    H    LEU  30           HN       LEU  30 -16.189  -4.097  -2.811
 1073    HA   LEU  30           HA       LEU  30 -18.833  -5.195  -3.365
 1074    HB2  LEU  30           HB2      LEU  30 -18.645  -6.330  -1.452
 1075    HB3  LEU  30           HB1      LEU  30 -16.952  -5.901  -1.528
 1076    HG   LEU  30           HG       LEU  30 -19.042  -4.388   0.024
 1077   HD11  LEU  30          HD11      LEU  30 -18.651  -6.622   0.933
 1078   HD12  LEU  30          HD12      LEU  30 -18.001  -5.376   1.999
 1079   HD13  LEU  30          HD13      LEU  30 -16.917  -6.306   0.965
 1080   HD21  LEU  30          HD21      LEU  30 -16.051  -4.117  -0.088
 1081   HD22  LEU  30          HD22      LEU  30 -17.082  -3.330   1.102
 1082   HD23  LEU  30          HD23      LEU  30 -17.242  -2.925  -0.606
 1083    H    VAL  31           HN       VAL  31 -17.525  -2.253  -3.134
 1084    HA   VAL  31           HA       VAL  31 -19.813  -1.090  -1.711
 1085    HB   VAL  31           HB       VAL  31 -17.771  -0.150  -0.921
 1086   HG11  VAL  31          HG11      VAL  31 -16.302  -0.808  -2.732
 1087   HG12  VAL  31          HG12      VAL  31 -16.126   0.915  -2.397
 1088   HG13  VAL  31          HG13      VAL  31 -17.052   0.378  -3.799
 1089   HG21  VAL  31          HG21      VAL  31 -17.984   2.248  -2.093
 1090   HG22  VAL  31          HG22      VAL  31 -19.140   1.649  -0.906
 1091   HG23  VAL  31          HG23      VAL  31 -19.503   1.531  -2.627
 1092    HA   PRO  32           HA       PRO  32 -21.970  -0.610  -5.561
 1093    HB2  PRO  32           HB2      PRO  32 -22.750   1.948  -4.190
 1094    HB3  PRO  32           HB1      PRO  32 -23.760   0.817  -5.099
 1095    HG2  PRO  32           HG2      PRO  32 -23.716   0.794  -2.422
 1096    HG3  PRO  32           HG1      PRO  32 -23.862  -0.702  -3.360
 1097    HD2  PRO  32           HD2      PRO  32 -21.574   0.317  -1.794
 1098    HD3  PRO  32           HD1      PRO  32 -21.960  -1.348  -2.275
 1099    H    GLN  33           HN       GLN  33 -21.133   0.111  -7.420
 1100    HA   GLN  33           HA       GLN  33 -18.908   1.702  -7.681
 1101    HB2  GLN  33           HB2      GLN  33 -19.731   0.216  -9.444
 1102    HB3  GLN  33           HB1      GLN  33 -21.093   1.289  -9.725
 1103    HG2  GLN  33           HG2      GLN  33 -19.561   3.060 -10.415
 1104    HG3  GLN  33           HG1      GLN  33 -18.193   1.984 -10.132
 1105   HE21  GLN  33          HE21      GLN  33 -21.233   0.921 -11.481
 1106   HE22  GLN  33          HE22      GLN  33 -20.639   0.596 -13.070
 1107    HA   PRO  34           HA       PRO  34 -21.878   5.474  -8.769
 1108    HB2  PRO  34           HB2      PRO  34 -24.048   4.857  -6.840
 1109    HB3  PRO  34           HB1      PRO  34 -24.144   5.552  -8.461
 1110    HG2  PRO  34           HG2      PRO  34 -24.882   3.032  -8.010
 1111    HG3  PRO  34           HG1      PRO  34 -24.031   3.484  -9.499
 1112    HD2  PRO  34           HD2      PRO  34 -22.985   2.118  -7.053
 1113    HD3  PRO  34           HD1      PRO  34 -22.608   1.817  -8.761
 1114    H    LEU  35           HN       LEU  35 -21.601   3.966  -5.598
 1115    HA   LEU  35           HA       LEU  35 -21.572   6.453  -4.161
 1116    HB2  LEU  35           HB2      LEU  35 -22.417   4.294  -3.232
 1117    HB3  LEU  35           HB1      LEU  35 -20.778   3.680  -3.261
 1118    HG   LEU  35           HG       LEU  35 -20.098   5.287  -1.593
 1119   HD11  LEU  35          HD11      LEU  35 -22.935   6.287  -1.642
 1120   HD12  LEU  35          HD12      LEU  35 -21.527   7.154  -2.257
 1121   HD13  LEU  35          HD13      LEU  35 -21.665   6.805  -0.533
 1122   HD21  LEU  35          HD21      LEU  35 -22.649   3.881  -0.840
 1123   HD22  LEU  35          HD22      LEU  35 -21.443   4.495   0.291
 1124   HD23  LEU  35          HD23      LEU  35 -21.028   3.187  -0.817
 1125    H    VAL  36           HN       VAL  36 -19.231   4.262  -5.546
 1126    HA   VAL  36           HA       VAL  36 -16.935   5.440  -4.251
 1127    HB   VAL  36           HB       VAL  36 -17.157   3.648  -6.687
 1128   HG11  VAL  36          HG11      VAL  36 -14.696   3.391  -6.485
 1129   HG12  VAL  36          HG12      VAL  36 -14.692   4.699  -5.301
 1130   HG13  VAL  36          HG13      VAL  36 -15.193   5.014  -6.963
 1131   HG21  VAL  36          HG21      VAL  36 -16.200   1.948  -5.218
 1132   HG22  VAL  36          HG22      VAL  36 -17.710   2.578  -4.560
 1133   HG23  VAL  36          HG23      VAL  36 -16.166   3.107  -3.889
 1134    H    ASP  37           HN       ASP  37 -18.635   5.887  -7.309
 1135    HA   ASP  37           HA       ASP  37 -16.820   7.659  -8.498
 1136    HB2  ASP  37           HB2      ASP  37 -18.754   6.665  -9.690
 1137    HB3  ASP  37           HB1      ASP  37 -19.843   7.652  -8.721
 1138    H    SER  38           HN       SER  38 -19.572   8.224  -6.282
 1139    HA   SER  38           HA       SER  38 -19.410  11.002  -6.215
 1140    HB2  SER  38           HB2      SER  38 -20.245   9.107  -4.005
 1141    HB3  SER  38           HB1      SER  38 -20.587  10.837  -4.045
 1142    HG   SER  38           HG       SER  38 -21.366   9.702  -6.348
 1143    H    TYR  39           HN       TYR  39 -17.750   8.593  -4.182
 1144    HA   TYR  39           HA       TYR  39 -16.448  10.407  -2.493
 1145    HB2  TYR  39           HB2      TYR  39 -16.312   8.224  -1.723
 1146    HB3  TYR  39           HB1      TYR  39 -15.924   7.578  -3.316
 1147    HD1  TYR  39           HD2      TYR  39 -14.541   9.469  -0.449
 1148    HD2  TYR  39           HD1      TYR  39 -13.685   7.309  -4.010
 1149    HE1  TYR  39           HE2      TYR  39 -12.151   9.499   0.114
 1150    HE2  TYR  39           HE1      TYR  39 -11.302   7.346  -3.466
 1151    HH   TYR  39           HH       TYR  39  -9.731   8.679  -2.116
 1152    H    ARG  40           HN       ARG  40 -15.436   8.963  -5.556
 1153    HA   ARG  40           HA       ARG  40 -12.861   9.996  -5.708
 1154    HB2  ARG  40           HB2      ARG  40 -14.877   9.299  -7.832
 1155    HB3  ARG  40           HB1      ARG  40 -13.262   9.867  -8.237
 1156    HG2  ARG  40           HG2      ARG  40 -12.284   7.988  -7.065
 1157    HG3  ARG  40           HG1      ARG  40 -13.889   7.432  -6.587
 1158    HD2  ARG  40           HD2      ARG  40 -14.473   7.200  -8.980
 1159    HD3  ARG  40           HD1      ARG  40 -12.822   7.653  -9.398
 1160    HE   ARG  40           HE       ARG  40 -12.938   5.425  -7.606
 1161   HH11  ARG  40          HH11      ARG  40 -13.154   6.381 -10.951
 1162   HH12  ARG  40          HH12      ARG  40 -12.676   4.830 -11.558
 1163   HH21  ARG  40          HH21      ARG  40 -12.313   3.380  -8.397
 1164   HH22  ARG  40          HH22      ARG  40 -12.202   3.124 -10.106
 1165    H    GLN  41           HN       GLN  41 -15.945  11.503  -6.416
 1166    HA   GLN  41           HA       GLN  41 -14.907  13.839  -7.673
 1167    HB2  GLN  41           HB2      GLN  41 -17.249  13.167  -7.924
 1168    HB3  GLN  41           HB1      GLN  41 -17.514  13.401  -6.201
 1169    HG2  GLN  41           HG2      GLN  41 -17.032  15.785  -6.456
 1170    HG3  GLN  41           HG1      GLN  41 -16.788  15.544  -8.185
 1171   HE21  GLN  41          HE21      GLN  41 -18.445  16.954  -8.725
 1172   HE22  GLN  41          HE22      GLN  41 -20.110  16.549  -8.511
 1173    H    GLN  42           HN       GLN  42 -15.906  13.127  -4.334
 1174    HA   GLN  42           HA       GLN  42 -15.398  15.669  -3.273
 1175    HB2  GLN  42           HB2      GLN  42 -16.650  13.875  -2.098
 1176    HB3  GLN  42           HB1      GLN  42 -15.140  13.006  -1.864
 1177    HG2  GLN  42           HG2      GLN  42 -15.571  14.107   0.162
 1178    HG3  GLN  42           HG1      GLN  42 -14.301  15.039  -0.630
 1179   HE21  GLN  42          HE21      GLN  42 -16.209  15.848   1.418
 1180   HE22  GLN  42          HE22      GLN  42 -17.077  17.191   0.764
 1181    H    GLN  43           HN       GLN  43 -13.290  12.950  -3.924
 1182    HA   GLN  43           HA       GLN  43 -11.028  14.144  -2.582
 1183    HB2  GLN  43           HB2      GLN  43 -11.240  11.718  -2.613
 1184    HB3  GLN  43           HB1      GLN  43 -11.238  11.715  -4.371
 1185    HG2  GLN  43           HG2      GLN  43  -9.085  11.036  -3.432
 1186    HG3  GLN  43           HG1      GLN  43  -8.957  12.495  -4.411
 1187   HE21  GLN  43          HE21      GLN  43  -7.077  13.172  -3.423
 1188   HE22  GLN  43          HE22      GLN  43  -7.037  13.773  -1.804
 1189    H    GLN  44           HN       GLN  44 -12.354  13.980  -5.795
 1190    HA   GLN  44           HA       GLN  44 -10.064  14.749  -7.252
 1191    HB2  GLN  44           HB2      GLN  44 -12.354  13.859  -8.100
 1192    HB3  GLN  44           HB1      GLN  44 -12.851  15.542  -8.040
 1193    HG2  GLN  44           HG2      GLN  44 -12.084  14.792 -10.269
 1194    HG3  GLN  44           HG1      GLN  44 -11.202  16.174  -9.626
 1195   HE21  GLN  44          HE21      GLN  44 -10.696  12.855  -8.593
 1196   HE22  GLN  44          HE22      GLN  44  -9.109  12.699  -9.252
 1197    H    LEU  45           HN       LEU  45 -12.294  16.460  -5.262
 1198    HA   LEU  45           HA       LEU  45 -12.028  19.076  -6.166
 1199    HB2  LEU  45           HB2      LEU  45 -13.616  18.887  -4.525
 1200    HB3  LEU  45           HB1      LEU  45 -12.660  17.767  -3.576
 1201    HG   LEU  45           HG       LEU  45 -11.175  19.893  -3.127
 1202   HD11  LEU  45          HD11      LEU  45 -12.337  21.378  -4.643
 1203   HD12  LEU  45          HD12      LEU  45 -12.535  21.930  -2.980
 1204   HD13  LEU  45          HD13      LEU  45 -13.856  21.092  -3.794
 1205   HD21  LEU  45          HD21      LEU  45 -12.600  20.383  -1.146
 1206   HD22  LEU  45          HD22      LEU  45 -12.238  18.671  -1.376
 1207   HD23  LEU  45          HD23      LEU  45 -13.823  19.307  -1.823
 1208    H    LEU  46           HN       LEU  46 -10.090  17.338  -3.755
 1209    HA   LEU  46           HA       LEU  46  -7.851  19.149  -4.318
 1210    HB2  LEU  46           HB2      LEU  46  -8.748  19.995  -2.287
 1211    HB3  LEU  46           HB1      LEU  46  -8.957  18.388  -1.625
 1212    HG   LEU  46           HG       LEU  46  -6.492  18.147  -1.502
 1213   HD11  LEU  46          HD11      LEU  46  -5.073  20.085  -1.804
 1214   HD12  LEU  46          HD12      LEU  46  -6.463  21.050  -2.301
 1215   HD13  LEU  46          HD13      LEU  46  -5.920  19.704  -3.303
 1216   HD21  LEU  46          HD21      LEU  46  -6.177  19.657   0.389
 1217   HD22  LEU  46          HD22      LEU  46  -7.772  18.903   0.437
 1218   HD23  LEU  46          HD23      LEU  46  -7.602  20.575  -0.099
 1219    H    GLN  47           HN       GLN  47  -6.696  17.666  -5.469
 1220    HA   GLN  47           HA       GLN  47  -6.207  15.021  -4.334
 1221    HB2  GLN  47           HB2      GLN  47  -6.683  15.709  -6.864
 1222    HB3  GLN  47           HB1      GLN  47  -4.937  15.914  -6.877
 1223    HG2  GLN  47           HG2      GLN  47  -6.213  13.393  -5.886
 1224    HG3  GLN  47           HG1      GLN  47  -5.894  13.662  -7.599
 1225   HE21  GLN  47          HE21      GLN  47  -4.498  13.129  -4.465
 1226   HE22  GLN  47          HE22      GLN  47  -2.895  12.787  -5.011
 1227    H    ARG  48           HN       ARG  48  -5.141  17.026  -2.790
 1228    HA   ARG  48           HA       ARG  48  -2.290  16.448  -3.027
 1229    HB2  ARG  48           HB2      ARG  48  -3.401  19.246  -2.756
 1230    HB3  ARG  48           HB1      ARG  48  -1.707  18.819  -2.570
 1231    HG2  ARG  48           HG2      ARG  48  -1.686  18.015  -4.895
 1232    HG3  ARG  48           HG1      ARG  48  -3.361  18.544  -5.064
 1233    HD2  ARG  48           HD2      ARG  48  -2.685  20.841  -4.570
 1234    HD3  ARG  48           HD1      ARG  48  -1.012  20.313  -4.391
 1235    HE   ARG  48           HE       ARG  48  -2.036  19.578  -6.931
 1236   HH11  ARG  48          HH11      ARG  48  -0.872  22.316  -5.116
 1237   HH12  ARG  48          HH12      ARG  48  -0.337  23.181  -6.518
 1238   HH21  ARG  48          HH21      ARG  48  -1.334  20.709  -8.781
 1239   HH22  ARG  48          HH22      ARG  48  -0.599  22.267  -8.601
 1240    H    ASP   1           HT1      ASP   1   6.369 -16.402  16.083
 1241    HA   ASP   1           HA       ASP   1   5.837 -16.013  13.772
 1242    HB2  ASP   1           HB2      ASP   1   3.740 -15.015  15.716
 1243    HB3  ASP   1           HB1      ASP   1   3.417 -15.557  14.071
 1244    H    GLU   2           HN       GLU   2   7.047 -14.419  12.740
 1245    HA   GLU   2           HA       GLU   2   5.617 -12.062  12.041
 1246    HB2  GLU   2           HB2      GLU   2   7.214 -10.398  12.871
 1247    HB3  GLU   2           HB1      GLU   2   6.475 -11.284  14.198
 1248    HG2  GLU   2           HG2      GLU   2   8.472 -12.657  14.412
 1249    HG3  GLU   2           HG1      GLU   2   9.213 -11.802  13.060
 1250    H    ASP   3           HN       ASP   3   7.100 -14.425  10.952
 1251    HA   ASP   3           HA       ASP   3   9.230 -13.163   9.412
 1252    HB2  ASP   3           HB2      ASP   3   9.238 -15.571  10.451
 1253    HB3  ASP   3           HB1      ASP   3   8.324 -15.989   9.004
 1254    H    THR   4           HN       THR   4   8.501 -15.243   7.213
 1255    HA   THR   4           HA       THR   4   7.023 -13.383   5.632
 1256    HB   THR   4           HB       THR   4   7.205 -16.110   4.592
 1257    HG1  THR   4           HG1      THR   4   9.647 -14.805   4.530
 1258   HG21  THR   4          HG21      THR   4   6.559 -14.196   3.206
 1259   HG22  THR   4          HG22      THR   4   8.053 -14.925   2.616
 1260   HG23  THR   4          HG23      THR   4   8.110 -13.426   3.546
 1261    H    TYR   5           HN       TYR   5   5.036 -13.472   4.889
 1262    HA   TYR   5           HA       TYR   5   3.157 -15.329   6.189
 1263    HB2  TYR   5           HB2      TYR   5   3.013 -12.367   5.814
 1264    HB3  TYR   5           HB1      TYR   5   1.589 -13.352   6.133
 1265    HD1  TYR   5           HD2      TYR   5   1.603 -14.801   8.240
 1266    HD2  TYR   5           HD1      TYR   5   4.356 -11.629   7.576
 1267    HE1  TYR   5           HE2      TYR   5   2.052 -14.696  10.654
 1268    HE2  TYR   5           HE1      TYR   5   4.807 -11.506   9.991
 1269    HH   TYR   5           HH       TYR   5   3.915 -12.137  12.067
 1270    H    TYR   6           HN       TYR   6   1.061 -15.503   4.874
 1271    HA   TYR   6           HA       TYR   6   1.556 -14.804   2.066
 1272    HB2  TYR   6           HB2      TYR   6  -0.401 -16.917   2.991
 1273    HB3  TYR   6           HB1      TYR   6   0.268 -16.695   1.381
 1274    HD1  TYR   6           HD2      TYR   6   3.154 -16.355   2.127
 1275    HD2  TYR   6           HD1      TYR   6   0.236 -19.145   3.455
 1276    HE1  TYR   6           HE2      TYR   6   4.939 -17.961   2.620
 1277    HE2  TYR   6           HE1      TYR   6   2.014 -20.769   3.963
 1278    HH   TYR   6           HH       TYR   6   5.296 -19.927   4.071
 1279    H    LEU   7           HN       LEU   7   0.298 -13.454   1.078
 1280    HA   LEU   7           HA       LEU   7  -2.125 -12.464   2.450
 1281    HB2  LEU   7           HB2      LEU   7   0.198 -11.203   1.629
 1282    HB3  LEU   7           HB1      LEU   7  -0.916 -10.867   0.333
 1283    HG   LEU   7           HG       LEU   7  -2.088  -9.376   1.548
 1284   HD11  LEU   7          HD11      LEU   7  -3.169 -10.211   3.295
 1285   HD12  LEU   7          HD12      LEU   7  -1.794  -9.641   4.240
 1286   HD13  LEU   7          HD13      LEU   7  -1.861 -11.317   3.694
 1287   HD21  LEU   7          HD21      LEU   7  -0.622  -8.049   2.890
 1288   HD22  LEU   7          HD22      LEU   7   0.297  -8.750   1.555
 1289   HD23  LEU   7          HD23      LEU   7   0.431  -9.436   3.174
 1290    H    GLN   8           HN       GLN   8  -3.854 -13.529   1.448
 1291    HA   GLN   8           HA       GLN   8  -3.735 -13.995  -1.348
 1292    HB2  GLN   8           HB2      GLN   8  -5.113 -15.123   0.711
 1293    HB3  GLN   8           HB1      GLN   8  -6.371 -14.194  -0.093
 1294    HG2  GLN   8           HG2      GLN   8  -5.475 -15.304  -2.242
 1295    HG3  GLN   8           HG1      GLN   8  -4.741 -16.458  -1.133
 1296   HE21  GLN   8          HE21      GLN   8  -7.092 -16.042   0.732
 1297   HE22  GLN   8          HE22      GLN   8  -8.344 -17.013   0.048
 1298    H    VAL   9           HN       VAL   9  -4.111 -12.594  -2.870
 1299    HA   VAL   9           HA       VAL   9  -5.971 -10.434  -2.268
 1300    HB   VAL   9           HB       VAL   9  -3.354 -10.322  -3.751
 1301   HG11  VAL   9          HG11      VAL   9  -4.879  -9.155  -5.168
 1302   HG12  VAL   9          HG12      VAL   9  -3.893  -7.971  -4.310
 1303   HG13  VAL   9          HG13      VAL   9  -5.554  -8.272  -3.798
 1304   HG21  VAL   9          HG21      VAL   9  -4.377  -8.522  -1.578
 1305   HG22  VAL   9          HG22      VAL   9  -2.720  -8.712  -2.151
 1306   HG23  VAL   9          HG23      VAL   9  -3.498 -10.016  -1.253
 1307    H    ARG  10           HN       ARG  10  -7.631 -10.151  -3.678
 1308    HA   ARG  10           HA       ARG  10  -7.642 -11.923  -6.021
 1309    HB2  ARG  10           HB2      ARG  10  -9.496 -11.925  -4.177
 1310    HB3  ARG  10           HB1      ARG  10 -10.071 -10.480  -4.994
 1311    HG2  ARG  10           HG2      ARG  10  -9.588 -13.004  -6.522
 1312    HG3  ARG  10           HG1      ARG  10 -11.085 -12.759  -5.621
 1313    HD2  ARG  10           HD2      ARG  10 -11.416 -10.634  -6.874
 1314    HD3  ARG  10           HD1      ARG  10  -9.999 -11.034  -7.843
 1315    HE   ARG  10           HE       ARG  10 -11.889 -13.150  -7.881
 1316   HH11  ARG  10          HH11      ARG  10 -11.251  -9.986  -9.198
 1317   HH12  ARG  10          HH12      ARG  10 -12.176 -10.258 -10.637
 1318   HH21  ARG  10          HH21      ARG  10 -13.107 -13.515  -9.774
 1319   HH22  ARG  10          HH22      ARG  10 -13.229 -12.263 -10.965
 1320    H    GLY  11           HN       GLY  11  -7.938 -11.194  -8.052
 1321    HA2  GLY  11           HA2      GLY  11  -8.382  -9.587  -9.726
 1322    HA3  GLY  11           HA1      GLY  11  -8.474  -8.349  -8.480
 1323    H    ARG  12           HN       ARG  12  -6.761  -9.229 -11.056
 1324    HA   ARG  12           HA       ARG  12  -4.088  -9.222 -10.368
 1325    HB2  ARG  12           HB2      ARG  12  -5.216  -9.538 -12.667
 1326    HB3  ARG  12           HB1      ARG  12  -5.084  -7.790 -12.812
 1327    HG2  ARG  12           HG2      ARG  12  -3.210  -8.720 -13.909
 1328    HG3  ARG  12           HG1      ARG  12  -2.628  -8.038 -12.390
 1329    HD2  ARG  12           HD2      ARG  12  -2.596 -10.232 -11.376
 1330    HD3  ARG  12           HD1      ARG  12  -3.291 -10.943 -12.831
 1331    HE   ARG  12           HE       ARG  12  -1.084  -9.884 -13.834
 1332   HH11  ARG  12          HH11      ARG  12  -1.530 -11.677 -10.879
 1333   HH12  ARG  12          HH12      ARG  12   0.067 -12.347 -10.894
 1334   HH21  ARG  12          HH21      ARG  12   1.019 -10.759 -13.860
 1335   HH22  ARG  12          HH22      ARG  12   1.515 -11.825 -12.587
 1336    H    GLU  13           HN       GLU  13  -6.064  -6.301 -11.046
 1337    HA   GLU  13           HA       GLU  13  -4.039  -4.453 -10.876
 1338    HB2  GLU  13           HB2      GLU  13  -6.417  -4.020 -11.527
 1339    HB3  GLU  13           HB1      GLU  13  -6.832  -4.034  -9.817
 1340    HG2  GLU  13           HG2      GLU  13  -6.605  -1.778 -10.390
 1341    HG3  GLU  13           HG1      GLU  13  -5.128  -2.201  -9.525
 1342    H    ASN  14           HN       ASN  14  -5.995  -5.727  -8.197
 1343    HA   ASN  14           HA       ASN  14  -4.824  -4.153  -6.152
 1344    HB2  ASN  14           HB2      ASN  14  -6.145  -6.861  -5.911
 1345    HB3  ASN  14           HB1      ASN  14  -5.916  -5.681  -4.624
 1346   HD21  ASN  14          HD21      ASN  14  -8.372  -6.863  -5.578
 1347   HD22  ASN  14          HD22      ASN  14  -9.374  -5.560  -6.106
 1348    H    PHE  15           HN       PHE  15  -4.196  -7.433  -7.337
 1349    HA   PHE  15           HA       PHE  15  -2.247  -8.186  -5.500
 1350    HB2  PHE  15           HB2      PHE  15  -3.361  -9.699  -7.110
 1351    HB3  PHE  15           HB1      PHE  15  -2.425  -8.973  -8.412
 1352    HD1  PHE  15           HD1      PHE  15  -1.374 -10.008  -4.979
 1353    HD2  PHE  15           HD2      PHE  15  -1.028 -10.631  -9.183
 1354    HE1  PHE  15           HE1      PHE  15   0.407 -11.633  -4.585
 1355    HE2  PHE  15           HE2      PHE  15   0.782 -12.257  -8.782
 1356    HZ   PHE  15           HZ       PHE  15   1.495 -12.756  -6.475
 1357    H    GLU  16           HN       GLU  16  -1.865  -6.535  -8.626
 1358    HA   GLU  16           HA       GLU  16   0.971  -6.391  -8.617
 1359    HB2  GLU  16           HB2      GLU  16  -1.086  -4.622  -9.947
 1360    HB3  GLU  16           HB1      GLU  16   0.640  -4.579 -10.279
 1361    HG2  GLU  16           HG2      GLU  16   0.562  -6.865 -11.092
 1362    HG3  GLU  16           HG1      GLU  16  -1.157  -6.954 -10.713
 1363    H    ILE  17           HN       ILE  17  -1.454  -4.022  -7.472
 1364    HA   ILE  17           HA       ILE  17   0.455  -2.058  -6.808
 1365    HB   ILE  17           HB       ILE  17  -2.382  -2.520  -6.187
 1366   HG12  ILE  17          HG12      ILE  17  -0.978   0.105  -6.570
 1367   HG13  ILE  17          HG11      ILE  17  -1.238  -0.971  -7.936
 1368   HG21  ILE  17          HG21      ILE  17  -1.522  -2.271  -3.911
 1369   HG22  ILE  17          HG22      ILE  17  -2.475  -0.865  -4.390
 1370   HG23  ILE  17          HG23      ILE  17  -0.712  -0.773  -4.382
 1371   HD11  ILE  17          HD11      ILE  17  -2.944   0.807  -7.681
 1372   HD12  ILE  17          HD12      ILE  17  -3.427   0.070  -6.151
 1373   HD13  ILE  17          HD13      ILE  17  -3.612  -0.828  -7.660
 1374    H    LEU  18           HN       LEU  18  -0.889  -4.770  -4.922
 1375    HA   LEU  18           HA       LEU  18   0.467  -4.035  -2.508
 1376    HB2  LEU  18           HB2      LEU  18  -1.079  -6.428  -3.448
 1377    HB3  LEU  18           HB1      LEU  18  -0.206  -6.446  -1.928
 1378    HG   LEU  18           HG       LEU  18  -2.077  -4.184  -2.369
 1379   HD11  LEU  18          HD11      LEU  18  -4.022  -5.416  -1.869
 1380   HD12  LEU  18          HD12      LEU  18  -3.099  -6.876  -1.525
 1381   HD13  LEU  18          HD13      LEU  18  -3.231  -6.289  -3.182
 1382   HD21  LEU  18          HD21      LEU  18  -1.327  -5.944  -0.041
 1383   HD22  LEU  18          HD22      LEU  18  -2.510  -4.640   0.036
 1384   HD23  LEU  18          HD23      LEU  18  -0.823  -4.278  -0.326
 1385    H    MET  19           HN       MET  19   1.026  -6.305  -5.171
 1386    HA   MET  19           HA       MET  19   3.198  -7.656  -4.020
 1387    HB2  MET  19           HB2      MET  19   1.827  -8.049  -6.296
 1388    HB3  MET  19           HB1      MET  19   3.200  -7.198  -6.978
 1389    HG2  MET  19           HG2      MET  19   3.222  -9.797  -5.472
 1390    HG3  MET  19           HG1      MET  19   3.570  -9.533  -7.175
 1391    HE1  MET  19           HE1      MET  19   5.808 -11.124  -6.568
 1392    HE2  MET  19           HE2      MET  19   5.207 -11.115  -4.909
 1393    HE3  MET  19           HE3      MET  19   6.888 -10.687  -5.243
 1394    H    LYS  20           HN       LYS  20   3.176  -4.874  -6.216
 1395    HA   LYS  20           HA       LYS  20   5.927  -4.372  -6.291
 1396    HB2  LYS  20           HB2      LYS  20   3.881  -3.263  -7.518
 1397    HB3  LYS  20           HB1      LYS  20   3.946  -2.138  -6.169
 1398    HG2  LYS  20           HG2      LYS  20   6.404  -2.745  -7.759
 1399    HG3  LYS  20           HG1      LYS  20   5.216  -1.577  -8.340
 1400    HD2  LYS  20           HD2      LYS  20   5.435  -0.391  -6.149
 1401    HD3  LYS  20           HD1      LYS  20   6.764  -1.482  -5.756
 1402    HE2  LYS  20           HE2      LYS  20   6.673   0.320  -8.171
 1403    HE3  LYS  20           HE1      LYS  20   7.510   0.701  -6.667
 1404    HZ1  LYS  20           HZ1      LYS  20   8.925  -1.213  -6.990
 1405    HZ2  LYS  20           HZ2      LYS  20   9.001  -0.215  -8.354
 1406    HZ3  LYS  20           HZ3      LYS  20   8.093  -1.641  -8.400
 1407    H    LEU  21           HN       LEU  21   3.435  -3.570  -3.971
 1408    HA   LEU  21           HA       LEU  21   5.073  -1.927  -2.344
 1409    HB2  LEU  21           HB2      LEU  21   2.477  -2.131  -2.520
 1410    HB3  LEU  21           HB1      LEU  21   2.656  -3.431  -1.367
 1411    HG   LEU  21           HG       LEU  21   3.066  -0.502  -0.987
 1412   HD11  LEU  21          HD11      LEU  21   1.700  -2.521   0.763
 1413   HD12  LEU  21          HD12      LEU  21   0.889  -1.683  -0.559
 1414   HD13  LEU  21          HD13      LEU  21   1.545  -0.766   0.797
 1415   HD21  LEU  21          HD21      LEU  21   4.048  -0.954   1.223
 1416   HD22  LEU  21          HD22      LEU  21   5.103  -1.456  -0.098
 1417   HD23  LEU  21          HD23      LEU  21   4.177  -2.661   0.797
 1418    H    LYS  22           HN       LYS  22   4.211  -5.361  -2.131
 1419    HA   LYS  22           HA       LYS  22   5.361  -5.921   0.334
 1420    HB2  LYS  22           HB2      LYS  22   4.091  -7.631  -0.804
 1421    HB3  LYS  22           HB1      LYS  22   5.212  -7.630  -2.159
 1422    HG2  LYS  22           HG2      LYS  22   6.398  -8.221   0.471
 1423    HG3  LYS  22           HG1      LYS  22   5.271  -9.425  -0.154
 1424    HD2  LYS  22           HD2      LYS  22   7.352  -8.362  -1.993
 1425    HD3  LYS  22           HD1      LYS  22   7.851  -9.497  -0.737
 1426    HE2  LYS  22           HE2      LYS  22   7.226 -10.512  -2.965
 1427    HE3  LYS  22           HE1      LYS  22   6.412 -11.184  -1.553
 1428    HZ1  LYS  22           HZ1      LYS  22   4.868 -10.813  -3.364
 1429    HZ2  LYS  22           HZ2      LYS  22   5.272  -9.172  -3.413
 1430    HZ3  LYS  22           HZ3      LYS  22   4.491  -9.809  -2.056
 1431    H    GLU  23           HN       GLU  23   6.737  -5.734  -2.874
 1432    HA   GLU  23           HA       GLU  23   9.394  -6.411  -2.247
 1433    HB2  GLU  23           HB2      GLU  23   8.428  -6.271  -4.549
 1434    HB3  GLU  23           HB1      GLU  23   8.371  -4.525  -4.386
 1435    HG2  GLU  23           HG2      GLU  23  10.472  -4.323  -5.011
 1436    HG3  GLU  23           HG1      GLU  23  11.014  -5.513  -3.830
 1437    H    SER  24           HN       SER  24   7.751  -3.239  -2.315
 1438    HA   SER  24           HA       SER  24   9.986  -1.753  -1.640
 1439    HB2  SER  24           HB2      SER  24   7.251  -0.977  -0.643
 1440    HB3  SER  24           HB1      SER  24   8.527   0.062  -1.276
 1441    HG   SER  24           HG       SER  24   6.529  -0.698  -2.621
 1442    H    LEU  25           HN       LEU  25   7.498  -3.070   0.542
 1443    HA   LEU  25           HA       LEU  25   8.587  -2.088   2.960
 1444    HB2  LEU  25           HB2      LEU  25   6.719  -4.328   2.270
 1445    HB3  LEU  25           HB1      LEU  25   7.264  -4.081   3.916
 1446    HG   LEU  25           HG       LEU  25   5.900  -1.920   2.322
 1447   HD11  LEU  25          HD11      LEU  25   3.873  -2.514   3.633
 1448   HD12  LEU  25          HD12      LEU  25   4.696  -3.986   4.151
 1449   HD13  LEU  25          HD13      LEU  25   4.340  -3.728   2.444
 1450   HD21  LEU  25          HD21      LEU  25   7.249  -1.250   4.291
 1451   HD22  LEU  25          HD22      LEU  25   6.232  -2.286   5.296
 1452   HD23  LEU  25          HD23      LEU  25   5.529  -0.896   4.463
 1453    H    GLU  26           HN       GLU  26   9.033  -5.193   1.307
 1454    HA   GLU  26           HA       GLU  26  10.640  -6.325   3.343
 1455    HB2  GLU  26           HB2      GLU  26  10.419  -7.014   0.413
 1456    HB3  GLU  26           HB1      GLU  26  11.293  -7.978   1.594
 1457    HG2  GLU  26           HG2      GLU  26   8.348  -7.525   1.349
 1458    HG3  GLU  26           HG1      GLU  26   9.239  -9.043   1.389
 1459    H    LEU  27           HN       LEU  27  11.426  -4.630   0.337
 1460    HA   LEU  27           HA       LEU  27  14.239  -4.914   0.396
 1461    HB2  LEU  27           HB2      LEU  27  12.351  -2.992  -0.890
 1462    HB3  LEU  27           HB1      LEU  27  14.076  -2.689  -0.935
 1463    HG   LEU  27           HG       LEU  27  12.738  -5.176  -2.007
 1464   HD11  LEU  27          HD11      LEU  27  13.905  -2.851  -3.520
 1465   HD12  LEU  27          HD12      LEU  27  12.183  -3.113  -3.254
 1466   HD13  LEU  27          HD13      LEU  27  13.114  -4.275  -4.197
 1467   HD21  LEU  27          HD21      LEU  27  15.580  -4.193  -2.298
 1468   HD22  LEU  27          HD22      LEU  27  14.902  -5.654  -3.021
 1469   HD23  LEU  27          HD23      LEU  27  15.062  -5.530  -1.269
 1470    H    MET  28           HN       MET  28  12.170  -2.498   2.023
 1471    HA   MET  28           HA       MET  28  14.201  -0.732   2.552
 1472    HB2  MET  28           HB2      MET  28  11.980  -1.404   4.500
 1473    HB3  MET  28           HB1      MET  28  12.938   0.067   4.513
 1474    HG2  MET  28           HG2      MET  28  11.909   0.901   2.617
 1475    HG3  MET  28           HG1      MET  28  11.304  -0.680   2.132
 1476    HE1  MET  28           HE1      MET  28   9.283   2.404   4.693
 1477    HE2  MET  28           HE2      MET  28  10.458   2.574   3.385
 1478    HE3  MET  28           HE3      MET  28  10.991   2.085   4.996
 1479    H    GLU  29           HN       GLU  29  14.100  -3.938   3.728
 1480    HA   GLU  29           HA       GLU  29  15.647  -3.321   6.108
 1481    HB2  GLU  29           HB2      GLU  29  15.320  -5.530   6.742
 1482    HB3  GLU  29           HB1      GLU  29  13.832  -5.143   5.890
 1483    HG2  GLU  29           HG2      GLU  29  14.766  -6.223   3.867
 1484    HG3  GLU  29           HG1      GLU  29  16.174  -6.695   4.813
 1485    H    LEU  30           HN       LEU  30  16.195  -4.071   2.809
 1486    HA   LEU  30           HA       LEU  30  18.841  -5.167   3.361
 1487    HB2  LEU  30           HB2      LEU  30  18.655  -6.300   1.446
 1488    HB3  LEU  30           HB1      LEU  30  16.961  -5.875   1.522
 1489    HG   LEU  30           HG       LEU  30  19.049  -4.357  -0.028
 1490   HD11  LEU  30          HD11      LEU  30  18.662  -6.590  -0.938
 1491   HD12  LEU  30          HD12      LEU  30  18.010  -5.344  -2.003
 1492   HD13  LEU  30          HD13      LEU  30  16.926  -6.277  -0.969
 1493   HD21  LEU  30          HD21      LEU  30  16.058  -4.088   0.084
 1494   HD22  LEU  30          HD22      LEU  30  17.089  -3.299  -1.105
 1495   HD23  LEU  30          HD23      LEU  30  17.248  -2.895   0.603
 1496    H    VAL  31           HN       VAL  31  17.527  -2.227   3.131
 1497    HA   VAL  31           HA       VAL  31  19.814  -1.060   1.710
 1498    HB   VAL  31           HB       VAL  31  17.771  -0.122   0.920
 1499   HG11  VAL  31          HG11      VAL  31  16.303  -0.784   2.730
 1500   HG12  VAL  31          HG12      VAL  31  16.125   0.939   2.397
 1501   HG13  VAL  31          HG13      VAL  31  17.052   0.403   3.798
 1502   HG21  VAL  31          HG21      VAL  31  17.979   2.276   2.094
 1503   HG22  VAL  31          HG22      VAL  31  19.138   1.680   0.907
 1504   HG23  VAL  31          HG23      VAL  31  19.499   1.562   2.628
 1505    HA   PRO  32           HA       PRO  32  21.971  -0.580   5.561
 1506    HB2  PRO  32           HB2      PRO  32  22.746   1.981   4.192
 1507    HB3  PRO  32           HB1      PRO  32  23.759   0.850   5.099
 1508    HG2  PRO  32           HG2      PRO  32  23.714   0.830   2.422
 1509    HG3  PRO  32           HG1      PRO  32  23.863  -0.667   3.359
 1510    HD2  PRO  32           HD2      PRO  32  21.573   0.349   1.794
 1511    HD3  PRO  32           HD1      PRO  32  21.963  -1.315   2.274
 1512    H    GLN  33           HN       GLN  33  21.134   0.139   7.421
 1513    HA   GLN  33           HA       GLN  33  18.905   1.725   7.684
 1514    HB2  GLN  33           HB2      GLN  33  19.732   0.240   9.445
 1515    HB3  GLN  33           HB1      GLN  33  21.092   1.315   9.727
 1516    HG2  GLN  33           HG2      GLN  33  19.556   3.082  10.419
 1517    HG3  GLN  33           HG1      GLN  33  18.191   2.004  10.134
 1518   HE21  GLN  33          HE21      GLN  33  21.232   0.945  11.483
 1519   HE22  GLN  33          HE22      GLN  33  20.638   0.618  13.072
 1520    HA   PRO  34           HA       PRO  34  21.869   5.502   8.773
 1521    HB2  PRO  34           HB2      PRO  34  24.040   4.889   6.844
 1522    HB3  PRO  34           HB1      PRO  34  24.137   5.583   8.465
 1523    HG2  PRO  34           HG2      PRO  34  24.878   3.065   8.014
 1524    HG3  PRO  34           HG1      PRO  34  24.024   3.514   9.502
 1525    HD2  PRO  34           HD2      PRO  34  22.981   2.149   7.054
 1526    HD3  PRO  34           HD1      PRO  34  22.605   1.846   8.761
 1527    H    LEU  35           HN       LEU  35  21.591   3.996   5.602
 1528    HA   LEU  35           HA       LEU  35  21.560   6.484   4.167
 1529    HB2  LEU  35           HB2      LEU  35  22.411   4.328   3.236
 1530    HB3  LEU  35           HB1      LEU  35  20.773   3.710   3.265
 1531    HG   LEU  35           HG       LEU  35  20.088   5.318   1.598
 1532   HD11  LEU  35          HD11      LEU  35  22.924   6.322   1.647
 1533   HD12  LEU  35          HD12      LEU  35  21.515   7.186   2.263
 1534   HD13  LEU  35          HD13      LEU  35  21.652   6.840   0.539
 1535   HD21  LEU  35          HD21      LEU  35  22.642   3.917   0.844
 1536   HD22  LEU  35          HD22      LEU  35  21.435   4.530  -0.287
 1537   HD23  LEU  35          HD23      LEU  35  21.023   3.220   0.820
 1538    H    VAL  36           HN       VAL  36  19.223   4.288   5.551
 1539    HA   VAL  36           HA       VAL  36  16.925   5.464   4.256
 1540    HB   VAL  36           HB       VAL  36  17.150   3.670   6.691
 1541   HG11  VAL  36          HG11      VAL  36  14.690   3.409   6.489
 1542   HG12  VAL  36          HG12      VAL  36  14.683   4.718   5.307
 1543   HG13  VAL  36          HG13      VAL  36  15.183   5.033   6.968
 1544   HG21  VAL  36          HG21      VAL  36  16.197   1.969   5.220
 1545   HG22  VAL  36          HG22      VAL  36  17.706   2.604   4.563
 1546   HG23  VAL  36          HG23      VAL  36  16.161   3.130   3.892
 1547    H    ASP  37           HN       ASP  37  18.626   5.911   7.314
 1548    HA   ASP  37           HA       ASP  37  16.808   7.680   8.505
 1549    HB2  ASP  37           HB2      ASP  37  18.744   6.687   9.696
 1550    HB3  ASP  37           HB1      ASP  37  19.832   7.678   8.728
 1551    H    SER  38           HN       SER  38  19.558   8.250   6.290
 1552    HA   SER  38           HA       SER  38  19.392  11.028   6.225
 1553    HB2  SER  38           HB2      SER  38  20.231   9.135   4.014
 1554    HB3  SER  38           HB1      SER  38  20.571  10.866   4.055
 1555    HG   SER  38           HG       SER  38  21.350   9.731   6.358
 1556    H    TYR  39           HN       TYR  39  17.738   8.619   4.188
 1557    HA   TYR  39           HA       TYR  39  16.431  10.433   2.502
 1558    HB2  TYR  39           HB2      TYR  39  16.299   8.249   1.731
 1559    HB3  TYR  39           HB1      TYR  39  15.912   7.602   3.324
 1560    HD1  TYR  39           HD2      TYR  39  14.527   9.492   0.458
 1561    HD2  TYR  39           HD1      TYR  39  13.673   7.330   4.017
 1562    HE1  TYR  39           HE2      TYR  39  12.137   9.518  -0.106
 1563    HE2  TYR  39           HE1      TYR  39  11.290   7.362   3.473
 1564    HH   TYR  39           HH       TYR  39   9.717   8.694   2.125
 1565    H    ARG  40           HN       ARG  40  15.422   8.984   5.566
 1566    HA   ARG  40           HA       ARG  40  12.845  10.012   5.718
 1567    HB2  ARG  40           HB2      ARG  40  14.863   9.316   7.842
 1568    HB3  ARG  40           HB1      ARG  40  13.247   9.881   8.247
 1569    HG2  ARG  40           HG2      ARG  40  12.271   8.002   7.072
 1570    HG3  ARG  40           HG1      ARG  40  13.877   7.449   6.594
 1571    HD2  ARG  40           HD2      ARG  40  14.462   7.216   8.987
 1572    HD3  ARG  40           HD1      ARG  40  12.810   7.666   9.406
 1573    HE   ARG  40           HE       ARG  40  12.930   5.440   7.612
 1574   HH11  ARG  40          HH11      ARG  40  13.144   6.392  10.957
 1575   HH12  ARG  40          HH12      ARG  40  12.671   4.840  11.563
 1576   HH21  ARG  40          HH21      ARG  40  12.308   3.393   8.401
 1577   HH22  ARG  40          HH22      ARG  40  12.196   3.136  10.110
 1578    H    GLN  41           HN       GLN  41  15.927  11.523   6.427
 1579    HA   GLN  41           HA       GLN  41  14.884  13.856   7.686
 1580    HB2  GLN  41           HB2      GLN  41  17.228  13.188   7.935
 1581    HB3  GLN  41           HB1      GLN  41  17.491  13.424   6.213
 1582    HG2  GLN  41           HG2      GLN  41  17.006  15.806   6.470
 1583    HG3  GLN  41           HG1      GLN  41  16.762  15.563   8.199
 1584   HE21  GLN  41          HE21      GLN  41  18.417  16.975   8.740
 1585   HE22  GLN  41          HE22      GLN  41  20.083  16.573   8.525
 1586    H    GLN  42           HN       GLN  42  15.885  13.149   4.346
 1587    HA   GLN  42           HA       GLN  42  15.372  15.691   3.288
 1588    HB2  GLN  42           HB2      GLN  42  16.627  13.901   2.111
 1589    HB3  GLN  42           HB1      GLN  42  15.119  13.029   1.875
 1590    HG2  GLN  42           HG2      GLN  42  15.547  14.132  -0.150
 1591    HG3  GLN  42           HG1      GLN  42  14.277  15.062   0.644
 1592   HE21  GLN  42          HE21      GLN  42  16.184  15.875  -1.404
 1593   HE22  GLN  42          HE22      GLN  42  17.049  17.219  -0.749
 1594    H    GLN  43           HN       GLN  43  13.269  12.969   3.936
 1595    HA   GLN  43           HA       GLN  43  11.004  14.159   2.595
 1596    HB2  GLN  43           HB2      GLN  43  11.221  11.733   2.624
 1597    HB3  GLN  43           HB1      GLN  43  11.219  11.729   4.383
 1598    HG2  GLN  43           HG2      GLN  43   9.066  11.047   3.442
 1599    HG3  GLN  43           HG1      GLN  43   8.937  12.506   4.423
 1600   HE21  GLN  43          HE21      GLN  43   7.056  13.181   3.435
 1601   HE22  GLN  43          HE22      GLN  43   7.014  13.783   1.817
 1602    H    GLN  44           HN       GLN  44  12.331  13.995   5.808
 1603    HA   GLN  44           HA       GLN  44  10.041  14.759   7.266
 1604    HB2  GLN  44           HB2      GLN  44  12.332  13.872   8.112
 1605    HB3  GLN  44           HB1      GLN  44  12.827  15.555   8.054
 1606    HG2  GLN  44           HG2      GLN  44  12.061  14.802  10.283
 1607    HG3  GLN  44           HG1      GLN  44  11.176  16.183   9.641
 1608   HE21  GLN  44          HE21      GLN  44  10.676  12.865   8.605
 1609   HE22  GLN  44          HE22      GLN  44   9.089  12.706   9.264
 1610    H    LEU  45           HN       LEU  45  12.268  16.475   5.277
 1611    HA   LEU  45           HA       LEU  45  11.997  19.090   6.183
 1612    HB2  LEU  45           HB2      LEU  45  13.586  18.905   4.543
 1613    HB3  LEU  45           HB1      LEU  45  12.632  17.784   3.593
 1614    HG   LEU  45           HG       LEU  45  11.142  19.908   3.146
 1615   HD11  LEU  45          HD11      LEU  45  12.303  21.394   4.662
 1616   HD12  LEU  45          HD12      LEU  45  12.500  21.947   2.999
 1617   HD13  LEU  45          HD13      LEU  45  13.822  21.111   3.812
 1618   HD21  LEU  45          HD21      LEU  45  12.566  20.402   1.165
 1619   HD22  LEU  45          HD22      LEU  45  12.206  18.690   1.392
 1620   HD23  LEU  45          HD23      LEU  45  13.791  19.327   1.840
 1621    H    LEU  46           HN       LEU  46  10.061  17.351   3.770
 1622    HA   LEU  46           HA       LEU  46   7.820  19.158   4.336
 1623    HB2  LEU  46           HB2      LEU  46   8.716  20.006   2.306
 1624    HB3  LEU  46           HB1      LEU  46   8.925  18.399   1.643
 1625    HG   LEU  46           HG       LEU  46   6.462  18.156   1.518
 1626   HD11  LEU  46          HD11      LEU  46   5.039  20.092   1.823
 1627   HD12  LEU  46          HD12      LEU  46   6.428  21.058   2.321
 1628   HD13  LEU  46          HD13      LEU  46   5.888  19.710   3.321
 1629   HD21  LEU  46          HD21      LEU  46   6.145  19.667  -0.371
 1630   HD22  LEU  46          HD22      LEU  46   7.741  18.917  -0.420
 1631   HD23  LEU  46          HD23      LEU  46   7.568  20.588   0.117
 1632    H    GLN  47           HN       GLN  47   6.666  17.673   5.486
 1633    HA   GLN  47           HA       GLN  47   6.184  15.028   4.348
 1634    HB2  GLN  47           HB2      GLN  47   6.658  15.714   6.878
 1635    HB3  GLN  47           HB1      GLN  47   4.912  15.916   6.892
 1636    HG2  GLN  47           HG2      GLN  47   6.192  13.398   5.899
 1637    HG3  GLN  47           HG1      GLN  47   5.872  13.665   7.612
 1638   HE21  GLN  47          HE21      GLN  47   4.475  13.135   4.477
 1639   HE22  GLN  47          HE22      GLN  47   2.874  12.788   5.024
 1640    H    ARG  48           HN       ARG  48   5.114  17.033   2.806
 1641    HA   ARG  48           HA       ARG  48   2.265  16.449   3.043
 1642    HB2  ARG  48           HB2      ARG  48   3.370  19.249   2.774
 1643    HB3  ARG  48           HB1      ARG  48   1.676  18.819   2.588
 1644    HG2  ARG  48           HG2      ARG  48   1.658  18.013   4.913
 1645    HG3  ARG  48           HG1      ARG  48   3.331  18.545   5.082
 1646    HD2  ARG  48           HD2      ARG  48   2.651  20.842   4.590
 1647    HD3  ARG  48           HD1      ARG  48   0.980  20.311   4.411
 1648    HE   ARG  48           HE       ARG  48   2.005  19.576   6.950
 1649   HH11  ARG  48          HH11      ARG  48   0.836  22.314   5.138
 1650   HH12  ARG  48          HH12      ARG  48   0.300  23.177   6.540
 1651   HH21  ARG  48          HH21      ARG  48   1.300  20.704   8.801
 1652   HH22  ARG  48          HH22      ARG  48   0.564  22.262   8.623
  Start of MODEL   17
    1    H    ASP   1           HT1      ASP   1  -7.086  14.859  16.082
    2    HA   ASP   1           HA       ASP   1  -6.237  16.112  13.537
    3    HB2  ASP   1           HB2      ASP   1  -4.594  15.008  15.829
    4    HB3  ASP   1           HB1      ASP   1  -3.947  15.598  14.301
    5    H    GLU   2           HN       GLU   2  -7.493  14.482  12.447
    6    HA   GLU   2           HA       GLU   2  -5.961  12.158  11.845
    7    HB2  GLU   2           HB2      GLU   2  -7.596  10.465  12.531
    8    HB3  GLU   2           HB1      GLU   2  -6.973  11.349  13.916
    9    HG2  GLU   2           HG2      GLU   2  -9.008  12.718  13.941
   10    HG3  GLU   2           HG1      GLU   2  -9.634  11.787  12.580
   11    H    ASP   3           HN       ASP   3  -7.722  14.546  10.852
   12    HA   ASP   3           HA       ASP   3  -9.615  13.269   9.114
   13    HB2  ASP   3           HB2      ASP   3  -9.907  15.527   8.150
   14    HB3  ASP   3           HB1      ASP   3 -10.040  15.533   9.906
   15    H    THR   4           HN       THR   4  -8.792  15.182   6.853
   16    HA   THR   4           HA       THR   4  -7.262  13.255   5.429
   17    HB   THR   4           HB       THR   4  -7.340  15.931   4.266
   18    HG1  THR   4           HG1      THR   4  -9.819  14.662   4.246
   19   HG21  THR   4          HG21      THR   4  -6.717  13.927   3.001
   20   HG22  THR   4          HG22      THR   4  -8.156  14.687   2.321
   21   HG23  THR   4          HG23      THR   4  -8.310  13.237   3.316
   22    H    TYR   5           HN       TYR   5  -5.227  13.333   4.702
   23    HA   TYR   5           HA       TYR   5  -3.396  15.190   6.073
   24    HB2  TYR   5           HB2      TYR   5  -3.278  12.227   5.750
   25    HB3  TYR   5           HB1      TYR   5  -1.833  13.187   6.055
   26    HD1  TYR   5           HD2      TYR   5  -1.797  14.660   8.126
   27    HD2  TYR   5           HD1      TYR   5  -4.691  11.607   7.509
   28    HE1  TYR   5           HE2      TYR   5  -2.282  14.644  10.534
   29    HE2  TYR   5           HE1      TYR   5  -5.185  11.578   9.914
   30    HH   TYR   5           HH       TYR   5  -4.311  12.230  11.987
   31    H    TYR   6           HN       TYR   6  -1.250  15.370   4.858
   32    HA   TYR   6           HA       TYR   6  -1.612  14.647   2.035
   33    HB2  TYR   6           HB2      TYR   6   0.267  16.801   3.005
   34    HB3  TYR   6           HB1      TYR   6  -0.358  16.557   1.383
   35    HD1  TYR   6           HD1      TYR   6  -3.253  16.203   1.994
   36    HD2  TYR   6           HD2      TYR   6  -0.423  18.994   3.504
   37    HE1  TYR   6           HE1      TYR   6  -5.072  17.792   2.424
   38    HE2  TYR   6           HE2      TYR   6  -2.235  20.596   3.950
   39    HH   TYR   6           HH       TYR   6  -5.512  19.731   3.884
   40    H    LEU   7           HN       LEU   7  -0.288  13.354   1.114
   41    HA   LEU   7           HA       LEU   7   2.102  12.355   2.529
   42    HB2  LEU   7           HB2      LEU   7  -0.173  11.108   1.484
   43    HB3  LEU   7           HB1      LEU   7   1.079  10.793   0.319
   44    HG   LEU   7           HG       LEU   7   2.040   9.231   1.598
   45   HD11  LEU   7          HD11      LEU   7   1.721   9.531   4.267
   46   HD12  LEU   7          HD12      LEU   7   1.840  11.206   3.729
   47   HD13  LEU   7          HD13      LEU   7   3.125  10.066   3.348
   48   HD21  LEU   7          HD21      LEU   7  -0.304   8.633   1.562
   49   HD22  LEU   7          HD22      LEU   7  -0.550   9.496   3.081
   50   HD23  LEU   7          HD23      LEU   7   0.484   8.067   3.036
   51    H    GLN   8           HN       GLN   8   4.050  12.766   1.537
   52    HA   GLN   8           HA       GLN   8   3.849  13.836  -1.181
   53    HB2  GLN   8           HB2      GLN   8   5.070  14.997   0.908
   54    HB3  GLN   8           HB1      GLN   8   6.406  14.058   0.264
   55    HG2  GLN   8           HG2      GLN   8   5.654  15.124  -2.004
   56    HG3  GLN   8           HG1      GLN   8   4.935  16.333  -0.942
   57   HE21  GLN   8          HE21      GLN   8   7.188  15.820   1.026
   58   HE22  GLN   8          HE22      GLN   8   8.521  16.700   0.377
   59    H    VAL   9           HN       VAL   9   4.225  12.426  -2.692
   60    HA   VAL   9           HA       VAL   9   6.109  10.284  -2.079
   61    HB   VAL   9           HB       VAL   9   3.497  10.140  -3.543
   62   HG11  VAL   9          HG11      VAL   9   5.013   9.083  -5.059
   63   HG12  VAL   9          HG12      VAL   9   4.091   7.832  -4.227
   64   HG13  VAL   9          HG13      VAL   9   5.756   8.164  -3.751
   65   HG21  VAL   9          HG21      VAL   9   3.490   9.717  -1.157
   66   HG22  VAL   9          HG22      VAL   9   4.726   8.475  -1.357
   67   HG23  VAL   9          HG23      VAL   9   3.121   8.242  -2.049
   68    H    ARG  10           HN       ARG  10   7.784   9.989  -3.442
   69    HA   ARG  10           HA       ARG  10   7.873  11.764  -5.781
   70    HB2  ARG  10           HB2      ARG  10   9.674  11.766  -3.901
   71    HB3  ARG  10           HB1      ARG  10  10.244  10.286  -4.657
   72    HG2  ARG  10           HG2      ARG  10   9.855  12.736  -6.312
   73    HG3  ARG  10           HG1      ARG  10  11.291  12.573  -5.301
   74    HD2  ARG  10           HD2      ARG  10  11.806  10.440  -6.405
   75    HD3  ARG  10           HD1      ARG  10  10.386  10.637  -7.430
   76    HE   ARG  10           HE       ARG  10  11.969  12.913  -7.718
   77   HH11  ARG  10          HH11      ARG  10  12.128   9.502  -8.411
   78   HH12  ARG  10          HH12      ARG  10  13.172   9.697  -9.778
   79   HH21  ARG  10          HH21      ARG  10  13.343  13.180  -9.517
   80   HH22  ARG  10          HH22      ARG  10  13.862  11.788 -10.408
   81    H    GLY  11           HN       GLY  11   8.218  11.038  -7.803
   82    HA2  GLY  11           HA2      GLY  11   8.690   9.435  -9.470
   83    HA3  GLY  11           HA1      GLY  11   8.717   8.186  -8.232
   84    H    ARG  12           HN       ARG  12   7.094   9.135 -10.854
   85    HA   ARG  12           HA       ARG  12   4.399   9.167 -10.230
   86    HB2  ARG  12           HB2      ARG  12   5.625   9.475 -12.505
   87    HB3  ARG  12           HB1      ARG  12   5.383   7.742 -12.679
   88    HG2  ARG  12           HG2      ARG  12   3.585   8.782 -13.788
   89    HG3  ARG  12           HG1      ARG  12   2.936   8.160 -12.269
   90    HD2  ARG  12           HD2      ARG  12   3.200  10.408 -11.279
   91    HD3  ARG  12           HD1      ARG  12   3.743  11.006 -12.845
   92    HE   ARG  12           HE       ARG  12   1.073   9.811 -12.509
   93   HH11  ARG  12          HH11      ARG  12   3.135  12.439 -13.503
   94   HH12  ARG  12          HH12      ARG  12   1.848  13.342 -14.230
   95   HH21  ARG  12          HH21      ARG  12  -0.624  10.992 -13.464
   96   HH22  ARG  12          HH22      ARG  12  -0.288  12.520 -14.208
   97    H    GLU  13           HN       GLU  13   6.364   6.236 -10.888
   98    HA   GLU  13           HA       GLU  13   4.324   4.398 -10.805
   99    HB2  GLU  13           HB2      GLU  13   6.715   3.943 -11.367
  100    HB3  GLU  13           HB1      GLU  13   7.078   3.975  -9.646
  101    HG2  GLU  13           HG2      GLU  13   6.864   1.715 -10.190
  102    HG3  GLU  13           HG1      GLU  13   5.354   2.150  -9.390
  103    H    ASN  14           HN       ASN  14   6.178   5.668  -8.057
  104    HA   ASN  14           HA       ASN  14   4.903   4.094  -6.060
  105    HB2  ASN  14           HB2      ASN  14   6.297   6.765  -5.776
  106    HB3  ASN  14           HB1      ASN  14   5.959   5.617  -4.484
  107   HD21  ASN  14          HD21      ASN  14   8.508   6.667  -5.277
  108   HD22  ASN  14          HD22      ASN  14   9.480   5.323  -5.758
  109    H    PHE  15           HN       PHE  15   4.378   7.394  -7.262
  110    HA   PHE  15           HA       PHE  15   2.362   8.143  -5.487
  111    HB2  PHE  15           HB2      PHE  15   3.559   9.685  -7.004
  112    HB3  PHE  15           HB1      PHE  15   2.672   9.003  -8.365
  113    HD1  PHE  15           HD2      PHE  15   1.484   9.921  -4.948
  114    HD2  PHE  15           HD1      PHE  15   1.316  10.701  -9.138
  115    HE1  PHE  15           HE2      PHE  15  -0.319  11.527  -4.566
  116    HE2  PHE  15           HE1      PHE  15  -0.519  12.309  -8.751
  117    HZ   PHE  15           HZ       PHE  15  -1.332  12.717  -6.457
  118    H    GLU  16           HN       GLU  16   2.101   6.564  -8.666
  119    HA   GLU  16           HA       GLU  16  -0.735   6.446  -8.797
  120    HB2  GLU  16           HB2      GLU  16   1.389   4.707 -10.061
  121    HB3  GLU  16           HB1      GLU  16  -0.322   4.639 -10.463
  122    HG2  GLU  16           HG2      GLU  16   1.406   7.084 -10.768
  123    HG3  GLU  16           HG1      GLU  16   1.037   5.946 -12.063
  124    H    ILE  17           HN       ILE  17   1.604   4.010  -7.622
  125    HA   ILE  17           HA       ILE  17  -0.356   2.060  -7.053
  126    HB   ILE  17           HB       ILE  17   2.471   2.445  -6.399
  127   HG12  ILE  17          HG12      ILE  17   0.972  -0.131  -6.758
  128   HG13  ILE  17          HG11      ILE  17   1.283   0.919  -8.133
  129   HG21  ILE  17          HG21      ILE  17   0.734   0.784  -4.576
  130   HG22  ILE  17          HG22      ILE  17   1.618   2.244  -4.120
  131   HG23  ILE  17          HG23      ILE  17   2.499   0.790  -4.592
  132   HD11  ILE  17          HD11      ILE  17   2.910  -0.927  -7.845
  133   HD12  ILE  17          HD12      ILE  17   3.416  -0.186  -6.324
  134   HD13  ILE  17          HD13      ILE  17   3.643   0.680  -7.844
  135    H    LEU  18           HN       LEU  18   0.980   4.722  -5.092
  136    HA   LEU  18           HA       LEU  18  -0.484   3.984  -2.734
  137    HB2  LEU  18           HB2      LEU  18   1.729   5.545  -3.332
  138    HB3  LEU  18           HB1      LEU  18   0.498   6.696  -2.861
  139    HG   LEU  18           HG       LEU  18   0.141   5.256  -0.799
  140   HD11  LEU  18          HD11      LEU  18   2.833   4.179  -1.575
  141   HD12  LEU  18          HD12      LEU  18   1.322   3.281  -1.696
  142   HD13  LEU  18          HD13      LEU  18   1.916   3.804  -0.119
  143   HD21  LEU  18          HD21      LEU  18   1.276   7.411  -0.705
  144   HD22  LEU  18          HD22      LEU  18   2.799   6.633  -1.137
  145   HD23  LEU  18          HD23      LEU  18   2.019   6.253   0.401
  146    H    MET  19           HN       MET  19  -0.942   6.203  -5.441
  147    HA   MET  19           HA       MET  19  -3.032   7.714  -4.259
  148    HB2  MET  19           HB2      MET  19  -1.610   8.166  -6.449
  149    HB3  MET  19           HB1      MET  19  -2.917   7.295  -7.232
  150    HG2  MET  19           HG2      MET  19  -3.116   9.854  -5.666
  151    HG3  MET  19           HG1      MET  19  -3.309   9.640  -7.401
  152    HE1  MET  19           HE1      MET  19  -5.123  10.983  -5.020
  153    HE2  MET  19           HE2      MET  19  -6.778  10.576  -5.478
  154    HE3  MET  19           HE3      MET  19  -5.661  11.212  -6.686
  155    H    LYS  20           HN       LYS  20  -3.092   5.012  -6.557
  156    HA   LYS  20           HA       LYS  20  -5.858   4.575  -6.680
  157    HB2  LYS  20           HB2      LYS  20  -3.870   3.464  -7.946
  158    HB3  LYS  20           HB1      LYS  20  -3.868   2.338  -6.597
  159    HG2  LYS  20           HG2      LYS  20  -6.355   2.905  -8.173
  160    HG3  LYS  20           HG1      LYS  20  -5.180   1.692  -8.683
  161    HD2  LYS  20           HD2      LYS  20  -5.431   0.636  -6.421
  162    HD3  LYS  20           HD1      LYS  20  -6.762   1.753  -6.119
  163    HE2  LYS  20           HE2      LYS  20  -6.633  -0.198  -8.413
  164    HE3  LYS  20           HE1      LYS  20  -7.509  -0.471  -6.908
  165    HZ1  LYS  20           HZ1      LYS  20  -8.897   1.429  -7.391
  166    HZ2  LYS  20           HZ2      LYS  20  -8.952   0.342  -8.685
  167    HZ3  LYS  20           HZ3      LYS  20  -8.029   1.754  -8.806
  168    H    LEU  21           HN       LEU  21  -3.383   3.641  -4.427
  169    HA   LEU  21           HA       LEU  21  -4.994   1.958  -2.831
  170    HB2  LEU  21           HB2      LEU  21  -2.403   2.193  -3.116
  171    HB3  LEU  21           HB1      LEU  21  -2.555   3.387  -1.846
  172    HG   LEU  21           HG       LEU  21  -3.620   1.606  -0.438
  173   HD11  LEU  21          HD11      LEU  21  -3.340  -0.694  -1.095
  174   HD12  LEU  21          HD12      LEU  21  -2.530  -0.213  -2.583
  175   HD13  LEU  21          HD13      LEU  21  -4.241   0.146  -2.354
  176   HD21  LEU  21          HD21      LEU  21  -0.955   0.574  -1.098
  177   HD22  LEU  21          HD22      LEU  21  -1.583   1.212   0.423
  178   HD23  LEU  21          HD23      LEU  21  -1.032   2.315  -0.837
  179    H    LYS  22           HN       LYS  22  -4.196   5.372  -2.675
  180    HA   LYS  22           HA       LYS  22  -5.134   5.920  -0.107
  181    HB2  LYS  22           HB2      LYS  22  -3.950   7.660  -1.132
  182    HB3  LYS  22           HB1      LYS  22  -4.863   7.531  -2.627
  183    HG2  LYS  22           HG2      LYS  22  -6.535   8.267  -0.371
  184    HG3  LYS  22           HG1      LYS  22  -5.220   9.411  -0.651
  185    HD2  LYS  22           HD2      LYS  22  -6.286   8.737  -3.178
  186    HD3  LYS  22           HD1      LYS  22  -7.653   9.075  -2.114
  187    HE2  LYS  22           HE2      LYS  22  -6.741  11.059  -3.349
  188    HE3  LYS  22           HE1      LYS  22  -6.821  11.242  -1.598
  189    HZ1  LYS  22           HZ1      LYS  22  -4.418  10.636  -3.222
  190    HZ2  LYS  22           HZ2      LYS  22  -4.443  10.640  -1.532
  191    HZ3  LYS  22           HZ3      LYS  22  -4.742  12.069  -2.387
  192    H    GLU  23           HN       GLU  23  -6.750   5.617  -3.200
  193    HA   GLU  23           HA       GLU  23  -9.326   6.414  -2.313
  194    HB2  GLU  23           HB2      GLU  23  -8.461   4.698  -4.647
  195    HB3  GLU  23           HB1      GLU  23 -10.118   5.216  -4.374
  196    HG2  GLU  23           HG2      GLU  23  -9.480   7.528  -4.626
  197    HG3  GLU  23           HG1      GLU  23  -7.787   7.074  -4.770
  198    H    SER  24           HN       SER  24  -7.798   3.195  -2.619
  199    HA   SER  24           HA       SER  24 -10.046   1.774  -1.824
  200    HB2  SER  24           HB2      SER  24  -8.626  -0.110  -1.476
  201    HB3  SER  24           HB1      SER  24  -7.887   0.824  -2.775
  202    HG   SER  24           HG       SER  24  -7.138   0.921  -0.039
  203    H    LEU  25           HN       LEU  25  -7.425   3.095   0.207
  204    HA   LEU  25           HA       LEU  25  -8.399   2.108   2.681
  205    HB2  LEU  25           HB2      LEU  25  -6.511   4.258   1.843
  206    HB3  LEU  25           HB1      LEU  25  -7.073   4.225   3.503
  207    HG   LEU  25           HG       LEU  25  -5.693   1.914   2.137
  208   HD11  LEU  25          HD11      LEU  25  -4.250   3.913   2.399
  209   HD12  LEU  25          HD12      LEU  25  -3.719   2.528   3.352
  210   HD13  LEU  25          HD13      LEU  25  -4.563   3.865   4.133
  211   HD21  LEU  25          HD21      LEU  25  -5.515   0.979   4.351
  212   HD22  LEU  25          HD22      LEU  25  -7.210   1.332   4.010
  213   HD23  LEU  25          HD23      LEU  25  -6.277   2.405   5.055
  214    H    GLU  26           HN       GLU  26  -8.891   5.218   1.041
  215    HA   GLU  26           HA       GLU  26 -10.472   6.342   3.112
  216    HB2  GLU  26           HB2      GLU  26 -10.126   7.036   0.204
  217    HB3  GLU  26           HB1      GLU  26 -11.204   7.937   1.261
  218    HG2  GLU  26           HG2      GLU  26  -9.192   8.272   2.773
  219    HG3  GLU  26           HG1      GLU  26  -8.221   7.681   1.426
  220    H    LEU  27           HN       LEU  27 -11.275   4.643   0.118
  221    HA   LEU  27           HA       LEU  27 -14.094   4.926   0.298
  222    HB2  LEU  27           HB2      LEU  27 -12.260   3.087  -1.192
  223    HB3  LEU  27           HB1      LEU  27 -13.994   2.828  -1.207
  224    HG   LEU  27           HG       LEU  27 -12.732   5.437  -2.039
  225   HD11  LEU  27          HD11      LEU  27 -13.567   3.137  -3.798
  226   HD12  LEU  27          HD12      LEU  27 -11.906   3.639  -3.481
  227   HD13  LEU  27          HD13      LEU  27 -13.004   4.718  -4.341
  228   HD21  LEU  27          HD21      LEU  27 -15.456   4.235  -2.508
  229   HD22  LEU  27          HD22      LEU  27 -14.888   5.775  -3.152
  230   HD23  LEU  27          HD23      LEU  27 -15.076   5.563  -1.412
  231    H    MET  28           HN       MET  28 -11.885   2.488   1.667
  232    HA   MET  28           HA       MET  28 -13.836   0.661   2.262
  233    HB2  MET  28           HB2      MET  28 -11.341   0.362   2.620
  234    HB3  MET  28           HB1      MET  28 -11.525   1.246   4.131
  235    HG2  MET  28           HG2      MET  28 -13.388  -0.575   4.545
  236    HG3  MET  28           HG1      MET  28 -12.406  -1.484   3.406
  237    HE1  MET  28           HE1      MET  28  -9.393  -2.577   5.249
  238    HE2  MET  28           HE2      MET  28  -9.402  -1.331   4.004
  239    HE3  MET  28           HE3      MET  28 -10.485  -2.716   3.869
  240    H    GLU  29           HN       GLU  29 -13.675   3.822   3.491
  241    HA   GLU  29           HA       GLU  29 -15.050   3.181   5.975
  242    HB2  GLU  29           HB2      GLU  29 -14.600   5.328   6.639
  243    HB3  GLU  29           HB1      GLU  29 -13.249   5.034   5.555
  244    HG2  GLU  29           HG2      GLU  29 -14.552   6.169   3.752
  245    HG3  GLU  29           HG1      GLU  29 -15.751   6.596   4.969
  246    H    LEU  30           HN       LEU  30 -15.807   4.076   2.725
  247    HA   LEU  30           HA       LEU  30 -18.414   5.141   3.470
  248    HB2  LEU  30           HB2      LEU  30 -18.352   6.296   1.565
  249    HB3  LEU  30           HB1      LEU  30 -16.660   5.858   1.521
  250    HG   LEU  30           HG       LEU  30 -18.857   4.375   0.089
  251   HD11  LEU  30          HD11      LEU  30 -18.013   5.403  -1.931
  252   HD12  LEU  30          HD12      LEU  30 -16.775   6.258  -1.007
  253   HD13  LEU  30          HD13      LEU  30 -18.477   6.655  -0.777
  254   HD21  LEU  30          HD21      LEU  30 -15.868   4.088   0.045
  255   HD22  LEU  30          HD22      LEU  30 -16.943   3.366  -1.146
  256   HD23  LEU  30          HD23      LEU  30 -17.052   2.882   0.545
  257    H    VAL  31           HN       VAL  31 -17.231   2.196   3.253
  258    HA   VAL  31           HA       VAL  31 -19.548   1.061   1.851
  259    HB   VAL  31           HB       VAL  31 -17.554   0.044   1.064
  260   HG11  VAL  31          HG11      VAL  31 -16.796  -0.409   3.944
  261   HG12  VAL  31          HG12      VAL  31 -16.033   0.715   2.820
  262   HG13  VAL  31          HG13      VAL  31 -15.912  -1.023   2.547
  263   HG21  VAL  31          HG21      VAL  31 -17.775  -2.325   2.101
  264   HG22  VAL  31          HG22      VAL  31 -19.131  -1.639   1.211
  265   HG23  VAL  31          HG23      VAL  31 -19.137  -1.628   2.973
  266    HA   PRO  32           HA       PRO  32 -21.714   0.654   5.713
  267    HB2  PRO  32           HB2      PRO  32 -22.584  -1.867   4.333
  268    HB3  PRO  32           HB1      PRO  32 -23.552  -0.701   5.243
  269    HG2  PRO  32           HG2      PRO  32 -23.512  -0.678   2.568
  270    HG3  PRO  32           HG1      PRO  32 -23.597   0.823   3.507
  271    HD2  PRO  32           HD2      PRO  32 -21.350  -0.290   1.942
  272    HD3  PRO  32           HD1      PRO  32 -21.677   1.391   2.409
  273    H    GLN  33           HN       GLN  33 -20.938  -0.135   7.575
  274    HA   GLN  33           HA       GLN  33 -18.754  -1.797   7.810
  275    HB2  GLN  33           HB2      GLN  33 -19.541  -0.311   9.595
  276    HB3  GLN  33           HB1      GLN  33 -20.924  -1.360   9.865
  277    HG2  GLN  33           HG2      GLN  33 -19.459  -3.162  10.554
  278    HG3  GLN  33           HG1      GLN  33 -18.045  -2.165  10.215
  279   HE21  GLN  33          HE21      GLN  33 -19.327   0.252  11.252
  280   HE22  GLN  33          HE22      GLN  33 -19.306   0.099  12.973
  281    HA   PRO  34           HA       PRO  34 -21.883  -5.472   8.851
  282    HB2  PRO  34           HB2      PRO  34 -23.948  -4.742   6.838
  283    HB3  PRO  34           HB1      PRO  34 -24.139  -5.490   8.428
  284    HG2  PRO  34           HG2      PRO  34 -24.771  -2.935   8.054
  285    HG3  PRO  34           HG1      PRO  34 -23.970  -3.462   9.547
  286    HD2  PRO  34           HD2      PRO  34 -22.823  -2.049   7.173
  287    HD3  PRO  34           HD1      PRO  34 -22.473  -1.824   8.899
  288    H    LEU  35           HN       LEU  35 -21.531  -3.988   5.665
  289    HA   LEU  35           HA       LEU  35 -21.478  -6.486   4.255
  290    HB2  LEU  35           HB2      LEU  35 -22.330  -4.413   3.240
  291    HB3  LEU  35           HB1      LEU  35 -20.749  -3.679   3.401
  292    HG   LEU  35           HG       LEU  35 -19.828  -5.226   1.785
  293   HD11  LEU  35          HD11      LEU  35 -22.600  -6.382   1.624
  294   HD12  LEU  35          HD12      LEU  35 -21.166  -7.188   2.259
  295   HD13  LEU  35          HD13      LEU  35 -21.260  -6.775   0.547
  296   HD21  LEU  35          HD21      LEU  35 -22.374  -3.946   0.822
  297   HD22  LEU  35          HD22      LEU  35 -21.030  -4.460  -0.197
  298   HD23  LEU  35          HD23      LEU  35 -20.804  -3.157   0.970
  299    H    VAL  36           HN       VAL  36 -19.171  -4.297   5.686
  300    HA   VAL  36           HA       VAL  36 -16.846  -5.478   4.449
  301    HB   VAL  36           HB       VAL  36 -17.125  -3.670   6.865
  302   HG11  VAL  36          HG11      VAL  36 -14.668  -3.427   6.756
  303   HG12  VAL  36          HG12      VAL  36 -14.617  -4.713   5.551
  304   HG13  VAL  36          HG13      VAL  36 -15.172  -5.061   7.189
  305   HG21  VAL  36          HG21      VAL  36 -16.059  -3.159   4.089
  306   HG22  VAL  36          HG22      VAL  36 -16.116  -1.988   5.407
  307   HG23  VAL  36          HG23      VAL  36 -17.615  -2.613   4.718
  308    H    ASP  37           HN       ASP  37 -18.620  -5.914   7.466
  309    HA   ASP  37           HA       ASP  37 -16.832  -7.670   8.722
  310    HB2  ASP  37           HB2      ASP  37 -18.778  -6.688   9.873
  311    HB3  ASP  37           HB1      ASP  37 -19.860  -7.634   8.855
  312    H    SER  38           HN       SER  38 -19.506  -8.263   6.429
  313    HA   SER  38           HA       SER  38 -19.337 -11.044   6.386
  314    HB2  SER  38           HB2      SER  38 -21.189  -9.825   5.353
  315    HB3  SER  38           HB1      SER  38 -20.096  -9.158   4.141
  316    HG   SER  38           HG       SER  38 -20.083 -11.912   4.362
  317    H    TYR  39           HN       TYR  39 -17.607  -8.634   4.420
  318    HA   TYR  39           HA       TYR  39 -16.223 -10.446   2.787
  319    HB2  TYR  39           HB2      TYR  39 -16.103  -8.261   2.017
  320    HB3  TYR  39           HB1      TYR  39 -15.773  -7.606   3.618
  321    HD1  TYR  39           HD2      TYR  39 -14.269  -9.498   0.810
  322    HD2  TYR  39           HD1      TYR  39 -13.557  -7.267   4.359
  323    HE1  TYR  39           HE2      TYR  39 -11.868  -9.470   0.304
  324    HE2  TYR  39           HE1      TYR  39 -11.165  -7.235   3.870
  325    HH   TYR  39           HH       TYR  39  -9.525  -8.564   2.570
  326    H    ARG  40           HN       ARG  40 -15.327  -8.935   5.864
  327    HA   ARG  40           HA       ARG  40 -12.748  -9.940   6.105
  328    HB2  ARG  40           HB2      ARG  40 -14.812  -9.197   8.168
  329    HB3  ARG  40           HB1      ARG  40 -13.196  -9.730   8.616
  330    HG2  ARG  40           HG2      ARG  40 -12.227  -7.879   7.373
  331    HG3  ARG  40           HG1      ARG  40 -13.839  -7.353   6.886
  332    HD2  ARG  40           HD2      ARG  40 -14.428  -6.971   9.221
  333    HD3  ARG  40           HD1      ARG  40 -12.834  -7.531   9.724
  334    HE   ARG  40           HE       ARG  40 -12.440  -5.446   7.934
  335   HH11  ARG  40          HH11      ARG  40 -13.872  -5.930  11.073
  336   HH12  ARG  40          HH12      ARG  40 -13.539  -4.319  11.616
  337   HH21  ARG  40          HH21      ARG  40 -11.996  -3.323   8.641
  338   HH22  ARG  40          HH22      ARG  40 -12.472  -2.838  10.234
  339    H    GLN  41           HN       GLN  41 -15.838 -11.436   6.777
  340    HA   GLN  41           HA       GLN  41 -14.862 -13.759   8.098
  341    HB2  GLN  41           HB2      GLN  41 -17.240 -13.068   8.128
  342    HB3  GLN  41           HB1      GLN  41 -17.353 -13.427   6.411
  343    HG2  GLN  41           HG2      GLN  41 -16.799 -15.780   6.902
  344    HG3  GLN  41           HG1      GLN  41 -16.801 -15.391   8.622
  345   HE21  GLN  41          HE21      GLN  41 -18.481 -16.813   9.057
  346   HE22  GLN  41          HE22      GLN  41 -20.111 -16.491   8.584
  347    H    GLN  42           HN       GLN  42 -15.601 -13.061   4.695
  348    HA   GLN  42           HA       GLN  42 -14.980 -15.598   3.676
  349    HB2  GLN  42           HB2      GLN  42 -16.147 -13.751   2.440
  350    HB3  GLN  42           HB1      GLN  42 -14.589 -12.954   2.265
  351    HG2  GLN  42           HG2      GLN  42 -15.084 -14.124   0.244
  352    HG3  GLN  42           HG1      GLN  42 -13.757 -14.948   1.062
  353   HE21  GLN  42          HE21      GLN  42 -17.107 -15.104   0.152
  354   HE22  GLN  42          HE22      GLN  42 -17.325 -16.789   0.468
  355    H    GLN  43           HN       GLN  43 -12.985 -12.861   4.523
  356    HA   GLN  43           HA       GLN  43 -10.583 -13.973   3.371
  357    HB2  GLN  43           HB2      GLN  43 -10.745 -11.590   3.390
  358    HB3  GLN  43           HB1      GLN  43 -11.140 -11.563   5.101
  359    HG2  GLN  43           HG2      GLN  43  -8.530 -12.723   4.316
  360    HG3  GLN  43           HG1      GLN  43  -8.727 -10.977   4.184
  361   HE21  GLN  43          HE21      GLN  43  -9.108  -9.764   6.054
  362   HE22  GLN  43          HE22      GLN  43  -8.750 -10.382   7.628
  363    H    GLN  44           HN       GLN  44 -12.206 -13.913   6.437
  364    HA   GLN  44           HA       GLN  44 -10.039 -14.715   8.073
  365    HB2  GLN  44           HB2      GLN  44 -12.506 -13.817   8.617
  366    HB3  GLN  44           HB1      GLN  44 -12.802 -15.541   8.797
  367    HG2  GLN  44           HG2      GLN  44 -12.260 -14.523  10.925
  368    HG3  GLN  44           HG1      GLN  44 -11.020 -15.683  10.452
  369   HE21  GLN  44          HE21      GLN  44  -8.985 -14.925   9.812
  370   HE22  GLN  44          HE22      GLN  44  -8.449 -13.326  10.189
  371    H    LEU  45           HN       LEU  45 -12.060 -16.344   5.847
  372    HA   LEU  45           HA       LEU  45 -12.100 -18.951   6.779
  373    HB2  LEU  45           HB2      LEU  45 -13.367 -18.489   4.864
  374    HB3  LEU  45           HB1      LEU  45 -12.012 -17.757   4.029
  375    HG   LEU  45           HG       LEU  45 -10.984 -20.106   3.994
  376   HD11  LEU  45          HD11      LEU  45 -13.849 -20.834   4.584
  377   HD12  LEU  45          HD12      LEU  45 -12.469 -21.114   5.646
  378   HD13  LEU  45          HD13      LEU  45 -12.573 -21.951   4.097
  379   HD21  LEU  45          HD21      LEU  45 -12.276 -20.714   1.990
  380   HD22  LEU  45          HD22      LEU  45 -11.827 -19.008   2.008
  381   HD23  LEU  45          HD23      LEU  45 -13.476 -19.491   2.411
  382    H    LEU  46           HN       LEU  46  -9.610 -17.375   4.768
  383    HA   LEU  46           HA       LEU  46  -7.570 -18.997   5.964
  384    HB2  LEU  46           HB2      LEU  46  -6.769 -20.018   3.884
  385    HB3  LEU  46           HB1      LEU  46  -8.360 -20.592   4.341
  386    HG   LEU  46           HG       LEU  46  -9.010 -18.561   2.645
  387   HD11  LEU  46          HD11      LEU  46  -6.501 -19.836   1.560
  388   HD12  LEU  46          HD12      LEU  46  -6.668 -18.156   2.067
  389   HD13  LEU  46          HD13      LEU  46  -7.580 -18.752   0.681
  390   HD21  LEU  46          HD21      LEU  46  -9.493 -20.312   1.027
  391   HD22  LEU  46          HD22      LEU  46  -9.914 -20.839   2.656
  392   HD23  LEU  46          HD23      LEU  46  -8.436 -21.425   1.894
  393    H    GLN  47           HN       GLN  47  -5.871 -17.739   6.216
  394    HA   GLN  47           HA       GLN  47  -5.541 -15.411   4.472
  395    HB2  GLN  47           HB2      GLN  47  -5.651 -15.062   6.930
  396    HB3  GLN  47           HB1      GLN  47  -4.195 -16.033   7.107
  397    HG2  GLN  47           HG2      GLN  47  -3.947 -13.497   7.110
  398    HG3  GLN  47           HG1      GLN  47  -2.852 -14.431   6.091
  399   HE21  GLN  47          HE21      GLN  47  -2.439 -12.814   4.656
  400   HE22  GLN  47          HE22      GLN  47  -3.617 -12.189   3.558
  401    H    ARG  48           HN       ARG  48  -4.852 -17.292   2.934
  402    HA   ARG  48           HA       ARG  48  -1.931 -17.292   2.930
  403    HB2  ARG  48           HB2      ARG  48  -3.611 -19.780   2.581
  404    HB3  ARG  48           HB1      ARG  48  -1.880 -19.687   2.291
  405    HG2  ARG  48           HG2      ARG  48  -1.505 -19.145   4.629
  406    HG3  ARG  48           HG1      ARG  48  -3.243 -19.209   4.927
  407    HD2  ARG  48           HD2      ARG  48  -3.261 -21.568   4.262
  408    HD3  ARG  48           HD1      ARG  48  -1.522 -21.498   3.981
  409    HE   ARG  48           HE       ARG  48  -1.718 -20.712   6.542
  410   HH11  ARG  48          HH11      ARG  48  -3.064 -23.427   4.821
  411   HH12  ARG  48          HH12      ARG  48  -3.076 -24.463   6.208
  412   HH21  ARG  48          HH21      ARG  48  -1.728 -22.070   8.371
  413   HH22  ARG  48          HH22      ARG  48  -2.315 -23.693   8.225
  414    H    ASP   1           HT1      ASP   1   7.101  14.862 -16.074
  415    HA   ASP   1           HA       ASP   1   6.252  16.115 -13.530
  416    HB2  ASP   1           HB2      ASP   1   4.609  15.013 -15.822
  417    HB3  ASP   1           HB1      ASP   1   3.962  15.602 -14.294
  418    H    GLU   2           HN       GLU   2   7.506  14.484 -12.439
  419    HA   GLU   2           HA       GLU   2   5.972  12.161 -11.840
  420    HB2  GLU   2           HB2      GLU   2   7.607  10.467 -12.525
  421    HB3  GLU   2           HB1      GLU   2   6.986  11.351 -13.912
  422    HG2  GLU   2           HG2      GLU   2   9.022  12.719 -13.933
  423    HG3  GLU   2           HG1      GLU   2   9.646  11.787 -12.573
  424    H    ASP   3           HN       ASP   3   7.734  14.547 -10.844
  425    HA   ASP   3           HA       ASP   3   9.626  13.267  -9.106
  426    HB2  ASP   3           HB2      ASP   3   9.920  15.526  -8.142
  427    HB3  ASP   3           HB1      ASP   3  10.053  15.532  -9.898
  428    H    THR   4           HN       THR   4   8.804  15.180  -6.844
  429    HA   THR   4           HA       THR   4   7.272  13.254  -5.423
  430    HB   THR   4           HB       THR   4   7.351  15.928  -4.259
  431    HG1  THR   4           HG1      THR   4   9.830  14.658  -4.239
  432   HG21  THR   4          HG21      THR   4   6.726  13.924  -2.996
  433   HG22  THR   4          HG22      THR   4   8.165  14.683  -2.314
  434   HG23  THR   4          HG23      THR   4   8.320  13.233  -3.310
  435    H    TYR   5           HN       TYR   5   5.237  13.333  -4.697
  436    HA   TYR   5           HA       TYR   5   3.407  15.190  -6.067
  437    HB2  TYR   5           HB2      TYR   5   3.286  12.227  -5.745
  438    HB3  TYR   5           HB1      TYR   5   1.843  13.189  -6.051
  439    HD1  TYR   5           HD2      TYR   5   1.809  14.663  -8.122
  440    HD2  TYR   5           HD1      TYR   5   4.700  11.607  -7.505
  441    HE1  TYR   5           HE2      TYR   5   2.294  14.646 -10.530
  442    HE2  TYR   5           HE1      TYR   5   5.194  11.578  -9.910
  443    HH   TYR   5           HH       TYR   5   4.323  12.231 -11.983
  444    H    TYR   6           HN       TYR   6   1.260  15.371  -4.853
  445    HA   TYR   6           HA       TYR   6   1.620  14.646  -2.030
  446    HB2  TYR   6           HB2      TYR   6  -0.257  16.802  -3.000
  447    HB3  TYR   6           HB1      TYR   6   0.368  16.557  -1.377
  448    HD1  TYR   6           HD1      TYR   6   3.263  16.201  -1.989
  449    HD2  TYR   6           HD2      TYR   6   0.435  18.995  -3.497
  450    HE1  TYR   6           HE1      TYR   6   5.082  17.789  -2.418
  451    HE2  TYR   6           HE2      TYR   6   2.248  20.597  -3.942
  452    HH   TYR   6           HH       TYR   6   5.525  19.730  -3.875
  453    H    LEU   7           HN       LEU   7   0.295  13.353  -1.110
  454    HA   LEU   7           HA       LEU   7  -2.095  12.357  -2.527
  455    HB2  LEU   7           HB2      LEU   7   0.180  11.107  -1.482
  456    HB3  LEU   7           HB1      LEU   7  -1.072  10.791  -0.317
  457    HG   LEU   7           HG       LEU   7  -2.033   9.231  -1.598
  458   HD11  LEU   7          HD11      LEU   7  -1.713   9.531  -4.266
  459   HD12  LEU   7          HD12      LEU   7  -1.829  11.205  -3.728
  460   HD13  LEU   7          HD13      LEU   7  -3.116  10.067  -3.347
  461   HD21  LEU   7          HD21      LEU   7   0.311   8.633  -1.560
  462   HD22  LEU   7          HD22      LEU   7   0.557   9.496  -3.078
  463   HD23  LEU   7          HD23      LEU   7  -0.476   8.066  -3.035
  464    H    GLN   8           HN       GLN   8  -4.041  12.768  -1.535
  465    HA   GLN   8           HA       GLN   8  -3.841  13.836   1.184
  466    HB2  GLN   8           HB2      GLN   8  -5.061  14.998  -0.905
  467    HB3  GLN   8           HB1      GLN   8  -6.397  14.060  -0.261
  468    HG2  GLN   8           HG2      GLN   8  -5.644  15.126   2.006
  469    HG3  GLN   8           HG1      GLN   8  -4.926  16.334   0.945
  470   HE21  GLN   8          HE21      GLN   8  -7.179  15.822  -1.023
  471   HE22  GLN   8          HE22      GLN   8  -8.511  16.702  -0.373
  472    H    VAL   9           HN       VAL   9  -4.217  12.425   2.694
  473    HA   VAL   9           HA       VAL   9  -6.102  10.285   2.079
  474    HB   VAL   9           HB       VAL   9  -3.491  10.137   3.544
  475   HG11  VAL   9          HG11      VAL   9  -5.009   9.082   5.059
  476   HG12  VAL   9          HG12      VAL   9  -4.087   7.830   4.227
  477   HG13  VAL   9          HG13      VAL   9  -5.752   8.164   3.750
  478   HG21  VAL   9          HG21      VAL   9  -3.485   9.717   1.158
  479   HG22  VAL   9          HG22      VAL   9  -4.721   8.475   1.357
  480   HG23  VAL   9          HG23      VAL   9  -3.116   8.241   2.049
  481    H    ARG  10           HN       ARG  10  -7.779   9.989   3.441
  482    HA   ARG  10           HA       ARG  10  -7.867  11.763   5.781
  483    HB2  ARG  10           HB2      ARG  10  -9.670  11.766   3.900
  484    HB3  ARG  10           HB1      ARG  10 -10.239  10.286   4.657
  485    HG2  ARG  10           HG2      ARG  10  -9.849  12.736   6.313
  486    HG3  ARG  10           HG1      ARG  10 -11.285  12.574   5.300
  487    HD2  ARG  10           HD2      ARG  10 -11.802  10.440   6.402
  488    HD3  ARG  10           HD1      ARG  10 -10.382  10.636   7.428
  489    HE   ARG  10           HE       ARG  10 -11.964  12.913   7.718
  490   HH11  ARG  10          HH11      ARG  10 -12.124   9.501   8.407
  491   HH12  ARG  10          HH12      ARG  10 -13.169   9.696   9.775
  492   HH21  ARG  10          HH21      ARG  10 -13.338  13.179   9.515
  493   HH22  ARG  10          HH22      ARG  10 -13.860  11.787  10.404
  494    H    GLY  11           HN       GLY  11  -8.214  11.036   7.802
  495    HA2  GLY  11           HA2      GLY  11  -8.687   9.432   9.468
  496    HA3  GLY  11           HA1      GLY  11  -8.713   8.184   8.228
  497    H    ARG  12           HN       ARG  12  -7.091   9.131  10.853
  498    HA   ARG  12           HA       ARG  12  -4.396   9.162  10.230
  499    HB2  ARG  12           HB2      ARG  12  -5.624   9.468  12.504
  500    HB3  ARG  12           HB1      ARG  12  -5.383   7.735  12.677
  501    HG2  ARG  12           HG2      ARG  12  -3.584   8.774  13.788
  502    HG3  ARG  12           HG1      ARG  12  -2.935   8.152  12.269
  503    HD2  ARG  12           HD2      ARG  12  -3.199  10.400  11.280
  504    HD3  ARG  12           HD1      ARG  12  -3.742  10.998  12.847
  505    HE   ARG  12           HE       ARG  12  -1.072   9.801  12.510
  506   HH11  ARG  12          HH11      ARG  12  -3.133  12.432  13.504
  507   HH12  ARG  12          HH12      ARG  12  -1.846  13.333  14.232
  508   HH21  ARG  12          HH21      ARG  12   0.626  10.983  13.468
  509   HH22  ARG  12          HH22      ARG  12   0.290  12.510  14.211
  510    H    GLU  13           HN       GLU  13  -6.363   6.232  10.885
  511    HA   GLU  13           HA       GLU  13  -4.325   4.392  10.803
  512    HB2  GLU  13           HB2      GLU  13  -6.717   3.938  11.362
  513    HB3  GLU  13           HB1      GLU  13  -7.078   3.972   9.640
  514    HG2  GLU  13           HG2      GLU  13  -6.865   1.710  10.185
  515    HG3  GLU  13           HG1      GLU  13  -5.355   2.146   9.387
  516    H    ASN  14           HN       ASN  14  -6.176   5.666   8.056
  517    HA   ASN  14           HA       ASN  14  -4.901   4.091   6.059
  518    HB2  ASN  14           HB2      ASN  14  -6.294   6.763   5.774
  519    HB3  ASN  14           HB1      ASN  14  -5.955   5.616   4.482
  520   HD21  ASN  14          HD21      ASN  14  -8.505   6.667   5.274
  521   HD22  ASN  14          HD22      ASN  14  -9.478   5.323   5.752
  522    H    PHE  15           HN       PHE  15  -4.375   7.391   7.260
  523    HA   PHE  15           HA       PHE  15  -2.359   8.139   5.487
  524    HB2  PHE  15           HB2      PHE  15  -3.556   9.681   7.006
  525    HB3  PHE  15           HB1      PHE  15  -2.668   8.997   8.365
  526    HD1  PHE  15           HD2      PHE  15  -1.479   9.919   4.947
  527    HD2  PHE  15           HD1      PHE  15  -1.313  10.694   9.139
  528    HE1  PHE  15           HE2      PHE  15   0.325  11.523   4.568
  529    HE2  PHE  15           HE1      PHE  15   0.523  12.301   8.754
  530    HZ   PHE  15           HZ       PHE  15   1.338  12.711   6.462
  531    H    GLU  16           HN       GLU  16  -2.099   6.559   8.665
  532    HA   GLU  16           HA       GLU  16   0.737   6.439   8.797
  533    HB2  GLU  16           HB2      GLU  16  -1.388   4.700  10.059
  534    HB3  GLU  16           HB1      GLU  16   0.322   4.631  10.462
  535    HG2  GLU  16           HG2      GLU  16  -1.405   7.076  10.768
  536    HG3  GLU  16           HG1      GLU  16  -1.037   5.937  12.062
  537    H    ILE  17           HN       ILE  17  -1.603   4.005   7.621
  538    HA   ILE  17           HA       ILE  17   0.355   2.055   7.052
  539    HB   ILE  17           HB       ILE  17  -2.471   2.442   6.395
  540   HG12  ILE  17          HG12      ILE  17  -0.974  -0.136   6.754
  541   HG13  ILE  17          HG11      ILE  17  -1.285   0.914   8.129
  542   HG21  ILE  17          HG21      ILE  17  -0.733   0.781   4.573
  543   HG22  ILE  17          HG22      ILE  17  -1.616   2.242   4.117
  544   HG23  ILE  17          HG23      ILE  17  -2.498   0.788   4.587
  545   HD11  ILE  17          HD11      ILE  17  -2.913  -0.930   7.840
  546   HD12  ILE  17          HD12      ILE  17  -3.417  -0.189   6.319
  547   HD13  ILE  17          HD13      ILE  17  -3.646   0.677   7.839
  548    H    LEU  18           HN       LEU  18  -0.977   4.720   5.091
  549    HA   LEU  18           HA       LEU  18   0.487   3.980   2.733
  550    HB2  LEU  18           HB2      LEU  18  -1.726   5.543   3.330
  551    HB3  LEU  18           HB1      LEU  18  -0.494   6.694   2.860
  552    HG   LEU  18           HG       LEU  18  -0.136   5.254   0.798
  553   HD11  LEU  18          HD11      LEU  18  -2.829   4.179   1.572
  554   HD12  LEU  18          HD12      LEU  18  -1.319   3.280   1.695
  555   HD13  LEU  18          HD13      LEU  18  -1.912   3.803   0.117
  556   HD21  LEU  18          HD21      LEU  18  -1.270   7.409   0.705
  557   HD22  LEU  18          HD22      LEU  18  -2.793   6.632   1.136
  558   HD23  LEU  18          HD23      LEU  18  -2.014   6.253  -0.402
  559    H    MET  19           HN       MET  19   0.943   6.200   5.440
  560    HA   MET  19           HA       MET  19   3.035   7.708   4.261
  561    HB2  MET  19           HB2      MET  19   1.613   8.160   6.449
  562    HB3  MET  19           HB1      MET  19   2.918   7.288   7.233
  563    HG2  MET  19           HG2      MET  19   3.121   9.847   5.667
  564    HG3  MET  19           HG1      MET  19   3.312   9.633   7.403
  565    HE1  MET  19           HE1      MET  19   5.127  10.976   5.026
  566    HE2  MET  19           HE2      MET  19   6.783  10.568   5.484
  567    HE3  MET  19           HE3      MET  19   5.666  11.203   6.692
  568    H    LYS  20           HN       LYS  20   3.094   5.005   6.558
  569    HA   LYS  20           HA       LYS  20   5.859   4.566   6.682
  570    HB2  LYS  20           HB2      LYS  20   3.871   3.456   7.947
  571    HB3  LYS  20           HB1      LYS  20   3.867   2.331   6.598
  572    HG2  LYS  20           HG2      LYS  20   6.355   2.895   8.174
  573    HG3  LYS  20           HG1      LYS  20   5.179   1.683   8.683
  574    HD2  LYS  20           HD2      LYS  20   5.430   0.628   6.420
  575    HD3  LYS  20           HD1      LYS  20   6.762   1.745   6.119
  576    HE2  LYS  20           HE2      LYS  20   6.632  -0.207   8.413
  577    HE3  LYS  20           HE1      LYS  20   7.508  -0.480   6.907
  578    HZ1  LYS  20           HZ1      LYS  20   8.896   1.420   7.391
  579    HZ2  LYS  20           HZ2      LYS  20   8.951   0.331   8.685
  580    HZ3  LYS  20           HZ3      LYS  20   8.028   1.744   8.807
  581    H    LEU  21           HN       LEU  21   3.384   3.637   4.427
  582    HA   LEU  21           HA       LEU  21   4.996   1.952   2.832
  583    HB2  LEU  21           HB2      LEU  21   2.405   2.189   3.115
  584    HB3  LEU  21           HB1      LEU  21   2.558   3.383   1.845
  585    HG   LEU  21           HG       LEU  21   3.622   1.601   0.437
  586   HD11  LEU  21          HD11      LEU  21   3.341  -0.698   1.093
  587   HD12  LEU  21          HD12      LEU  21   2.531  -0.218   2.581
  588   HD13  LEU  21          HD13      LEU  21   4.241   0.141   2.353
  589   HD21  LEU  21          HD21      LEU  21   0.956   0.571   1.095
  590   HD22  LEU  21          HD22      LEU  21   1.586   1.211  -0.425
  591   HD23  LEU  21          HD23      LEU  21   1.035   2.313   0.835
  592    H    LYS  22           HN       LYS  22   4.199   5.367   2.676
  593    HA   LYS  22           HA       LYS  22   5.139   5.915   0.109
  594    HB2  LYS  22           HB2      LYS  22   3.955   7.656   1.132
  595    HB3  LYS  22           HB1      LYS  22   4.865   7.527   2.629
  596    HG2  LYS  22           HG2      LYS  22   6.540   8.263   0.374
  597    HG3  LYS  22           HG1      LYS  22   5.226   9.407   0.654
  598    HD2  LYS  22           HD2      LYS  22   6.290   8.731   3.181
  599    HD3  LYS  22           HD1      LYS  22   7.658   9.068   2.118
  600    HE2  LYS  22           HE2      LYS  22   6.748  11.054   3.353
  601    HE3  LYS  22           HE1      LYS  22   6.827  11.236   1.601
  602    HZ1  LYS  22           HZ1      LYS  22   4.426  10.630   3.227
  603    HZ2  LYS  22           HZ2      LYS  22   4.449  10.635   1.536
  604    HZ3  LYS  22           HZ3      LYS  22   4.748  12.063   2.391
  605    H    GLU  23           HN       GLU  23   6.756   5.614   3.202
  606    HA   GLU  23           HA       GLU  23   9.333   6.406   2.316
  607    HB2  GLU  23           HB2      GLU  23   8.463   4.689   4.648
  608    HB3  GLU  23           HB1      GLU  23  10.121   5.205   4.377
  609    HG2  GLU  23           HG2      GLU  23   9.487   7.517   4.631
  610    HG3  GLU  23           HG1      GLU  23   7.793   7.067   4.773
  611    H    SER  24           HN       SER  24   7.800   3.189   2.622
  612    HA   SER  24           HA       SER  24  10.047   1.766   1.825
  613    HB2  SER  24           HB2      SER  24   8.626  -0.117   1.476
  614    HB3  SER  24           HB1      SER  24   7.887   0.816   2.776
  615    HG   SER  24           HG       SER  24   7.139   0.917   0.039
  616    H    LEU  25           HN       LEU  25   7.427   3.091  -0.206
  617    HA   LEU  25           HA       LEU  25   8.402   2.105  -2.679
  618    HB2  LEU  25           HB2      LEU  25   6.516   4.256  -1.844
  619    HB3  LEU  25           HB1      LEU  25   7.078   4.221  -3.503
  620    HG   LEU  25           HG       LEU  25   5.697   1.911  -2.137
  621   HD11  LEU  25          HD11      LEU  25   4.252   3.909  -2.399
  622   HD12  LEU  25          HD12      LEU  25   3.723   2.525  -3.354
  623   HD13  LEU  25          HD13      LEU  25   4.567   3.863  -4.132
  624   HD21  LEU  25          HD21      LEU  25   5.519   0.977  -4.351
  625   HD22  LEU  25          HD22      LEU  25   7.213   1.328  -4.009
  626   HD23  LEU  25          HD23      LEU  25   6.282   2.402  -5.054
  627    H    GLU  26           HN       GLU  26   8.895   5.214  -1.039
  628    HA   GLU  26           HA       GLU  26  10.479   6.337  -3.108
  629    HB2  GLU  26           HB2      GLU  26  10.133   7.030  -0.199
  630    HB3  GLU  26           HB1      GLU  26  11.211   7.931  -1.257
  631    HG2  GLU  26           HG2      GLU  26   9.199   8.268  -2.768
  632    HG3  GLU  26           HG1      GLU  26   8.228   7.676  -1.421
  633    H    LEU  27           HN       LEU  27  11.279   4.635  -0.115
  634    HA   LEU  27           HA       LEU  27  14.098   4.916  -0.292
  635    HB2  LEU  27           HB2      LEU  27  12.261   3.078   1.195
  636    HB3  LEU  27           HB1      LEU  27  13.995   2.817   1.210
  637    HG   LEU  27           HG       LEU  27  12.735   5.426   2.044
  638   HD11  LEU  27          HD11      LEU  27  13.570   3.124   3.800
  639   HD12  LEU  27          HD12      LEU  27  11.909   3.627   3.485
  640   HD13  LEU  27          HD13      LEU  27  13.007   4.704   4.346
  641   HD21  LEU  27          HD21      LEU  27  15.459   4.223   2.512
  642   HD22  LEU  27          HD22      LEU  27  14.892   5.762   3.158
  643   HD23  LEU  27          HD23      LEU  27  15.079   5.552   1.418
  644    H    MET  28           HN       MET  28  11.888   2.482  -1.667
  645    HA   MET  28           HA       MET  28  13.839   0.654  -2.260
  646    HB2  MET  28           HB2      MET  28  11.344   0.356  -2.619
  647    HB3  MET  28           HB1      MET  28  11.528   1.241  -4.128
  648    HG2  MET  28           HG2      MET  28  13.390  -0.581  -4.544
  649    HG3  MET  28           HG1      MET  28  12.408  -1.491  -3.405
  650    HE1  MET  28           HE1      MET  28   9.394  -2.579  -5.250
  651    HE2  MET  28           HE2      MET  28   9.404  -1.333  -4.004
  652    HE3  MET  28           HE3      MET  28  10.486  -2.720  -3.870
  653    H    GLU  29           HN       GLU  29  13.679   3.815  -3.488
  654    HA   GLU  29           HA       GLU  29  15.055   3.174  -5.972
  655    HB2  GLU  29           HB2      GLU  29  14.607   5.323  -6.634
  656    HB3  GLU  29           HB1      GLU  29  13.255   5.029  -5.551
  657    HG2  GLU  29           HG2      GLU  29  14.558   6.162  -3.746
  658    HG3  GLU  29           HG1      GLU  29  15.758   6.588  -4.963
  659    H    LEU  30           HN       LEU  30  15.810   4.067  -2.720
  660    HA   LEU  30           HA       LEU  30  18.418   5.131  -3.463
  661    HB2  LEU  30           HB2      LEU  30  18.357   6.285  -1.558
  662    HB3  LEU  30           HB1      LEU  30  16.665   5.849  -1.514
  663    HG   LEU  30           HG       LEU  30  18.861   4.364  -0.083
  664   HD11  LEU  30          HD11      LEU  30  18.017   5.391   1.937
  665   HD12  LEU  30          HD12      LEU  30  16.779   6.247   1.013
  666   HD13  LEU  30          HD13      LEU  30  18.483   6.643   0.783
  667   HD21  LEU  30          HD21      LEU  30  15.872   4.077  -0.038
  668   HD22  LEU  30          HD22      LEU  30  16.947   3.354   1.152
  669   HD23  LEU  30          HD23      LEU  30  17.056   2.871  -0.540
  670    H    VAL  31           HN       VAL  31  17.234   2.187  -3.249
  671    HA   VAL  31           HA       VAL  31  19.550   1.052  -1.846
  672    HB   VAL  31           HB       VAL  31  17.556   0.034  -1.059
  673   HG11  VAL  31          HG11      VAL  31  16.798  -0.417  -3.940
  674   HG12  VAL  31          HG12      VAL  31  16.036   0.707  -2.815
  675   HG13  VAL  31          HG13      VAL  31  15.914  -1.032  -2.543
  676   HG21  VAL  31          HG21      VAL  31  17.777  -2.335  -2.097
  677   HG22  VAL  31          HG22      VAL  31  19.133  -1.649  -1.207
  678   HG23  VAL  31          HG23      VAL  31  19.138  -1.638  -2.970
  679    HA   PRO  32           HA       PRO  32  21.717   0.646  -5.707
  680    HB2  PRO  32           HB2      PRO  32  22.587  -1.877  -4.330
  681    HB3  PRO  32           HB1      PRO  32  23.555  -0.709  -5.238
  682    HG2  PRO  32           HG2      PRO  32  23.513  -0.690  -2.562
  683    HG3  PRO  32           HG1      PRO  32  23.600   0.812  -3.498
  684    HD2  PRO  32           HD2      PRO  32  21.352  -0.302  -1.937
  685    HD3  PRO  32           HD1      PRO  32  21.680   1.380  -2.402
  686    H    GLN  33           HN       GLN  33  20.941  -0.143  -7.570
  687    HA   GLN  33           HA       GLN  33  18.757  -1.804  -7.807
  688    HB2  GLN  33           HB2      GLN  33  19.545  -0.316  -9.590
  689    HB3  GLN  33           HB1      GLN  33  20.929  -1.366  -9.860
  690    HG2  GLN  33           HG2      GLN  33  19.464  -3.167 -10.551
  691    HG3  GLN  33           HG1      GLN  33  18.050  -2.170 -10.213
  692   HE21  GLN  33          HE21      GLN  33  19.332   0.248 -11.248
  693   HE22  GLN  33          HE22      GLN  33  19.312   0.096 -12.968
  694    HA   PRO  34           HA       PRO  34  21.886  -5.480  -8.849
  695    HB2  PRO  34           HB2      PRO  34  23.951  -4.752  -6.834
  696    HB3  PRO  34           HB1      PRO  34  24.142  -5.499  -8.424
  697    HG2  PRO  34           HG2      PRO  34  24.775  -2.945  -8.050
  698    HG3  PRO  34           HG1      PRO  34  23.973  -3.471  -9.542
  699    HD2  PRO  34           HD2      PRO  34  22.827  -2.058  -7.169
  700    HD3  PRO  34           HD1      PRO  34  22.477  -1.832  -8.895
  701    H    LEU  35           HN       LEU  35  21.532  -3.997  -5.662
  702    HA   LEU  35           HA       LEU  35  21.478  -6.496  -4.253
  703    HB2  LEU  35           HB2      LEU  35  22.330  -4.424  -3.236
  704    HB3  LEU  35           HB1      LEU  35  20.749  -3.689  -3.398
  705    HG   LEU  35           HG       LEU  35  19.827  -5.236  -1.783
  706   HD11  LEU  35          HD11      LEU  35  22.599  -6.392  -1.621
  707   HD12  LEU  35          HD12      LEU  35  21.165  -7.199  -2.258
  708   HD13  LEU  35          HD13      LEU  35  21.258  -6.787  -0.545
  709   HD21  LEU  35          HD21      LEU  35  22.375  -3.958  -0.819
  710   HD22  LEU  35          HD22      LEU  35  21.030  -4.471   0.201
  711   HD23  LEU  35          HD23      LEU  35  20.805  -3.167  -0.966
  712    H    VAL  36           HN       VAL  36  19.173  -4.306  -5.683
  713    HA   VAL  36           HA       VAL  36  16.846  -5.485  -4.447
  714    HB   VAL  36           HB       VAL  36  17.128  -3.677  -6.863
  715   HG11  VAL  36          HG11      VAL  36  14.671  -3.432  -6.757
  716   HG12  VAL  36          HG12      VAL  36  14.617  -4.719  -5.552
  717   HG13  VAL  36          HG13      VAL  36  15.173  -5.065  -7.190
  718   HG21  VAL  36          HG21      VAL  36  16.060  -3.167  -4.088
  719   HG22  VAL  36          HG22      VAL  36  16.119  -1.995  -5.405
  720   HG23  VAL  36          HG23      VAL  36  17.616  -2.622  -4.715
  721    H    ASP  37           HN       ASP  37  18.622  -5.921  -7.464
  722    HA   ASP  37           HA       ASP  37  16.833  -7.675  -8.723
  723    HB2  ASP  37           HB2      ASP  37  18.780  -6.693  -9.873
  724    HB3  ASP  37           HB1      ASP  37  19.862  -7.639  -8.855
  725    H    SER  38           HN       SER  38  19.506  -8.270  -6.429
  726    HA   SER  38           HA       SER  38  19.336 -11.051  -6.387
  727    HB2  SER  38           HB2      SER  38  21.188  -9.834  -5.353
  728    HB3  SER  38           HB1      SER  38  20.095  -9.166  -4.141
  729    HG   SER  38           HG       SER  38  20.083 -11.921  -4.363
  730    H    TYR  39           HN       TYR  39  17.606  -8.642  -4.424
  731    HA   TYR  39           HA       TYR  39  16.221 -10.453  -2.790
  732    HB2  TYR  39           HB2      TYR  39  16.101  -8.270  -2.019
  733    HB3  TYR  39           HB1      TYR  39  15.771  -7.613  -3.620
  734    HD1  TYR  39           HD2      TYR  39  14.266  -9.507  -0.813
  735    HD2  TYR  39           HD1      TYR  39  13.556  -7.275  -4.362
  736    HE1  TYR  39           HE2      TYR  39  11.865  -9.477  -0.308
  737    HE2  TYR  39           HE1      TYR  39  11.163  -7.242  -3.874
  738    HH   TYR  39           HH       TYR  39   9.522  -8.569  -2.574
  739    H    ARG  40           HN       ARG  40  15.326  -8.941  -5.867
  740    HA   ARG  40           HA       ARG  40  12.746  -9.945  -6.107
  741    HB2  ARG  40           HB2      ARG  40  14.812  -9.201  -8.169
  742    HB3  ARG  40           HB1      ARG  40  13.196  -9.733  -8.619
  743    HG2  ARG  40           HG2      ARG  40  12.226  -7.883  -7.374
  744    HG3  ARG  40           HG1      ARG  40  13.839  -7.357  -6.887
  745    HD2  ARG  40           HD2      ARG  40  14.430  -6.974  -9.221
  746    HD3  ARG  40           HD1      ARG  40  12.836  -7.534  -9.726
  747    HE   ARG  40           HE       ARG  40  12.441  -5.449  -7.936
  748   HH11  ARG  40          HH11      ARG  40  13.875  -5.931 -11.075
  749   HH12  ARG  40          HH12      ARG  40  13.544  -4.320 -11.616
  750   HH21  ARG  40          HH21      ARG  40  11.999  -3.327  -8.642
  751   HH22  ARG  40          HH22      ARG  40  12.477  -2.840 -10.234
  752    H    GLN  41           HN       GLN  41  15.836 -11.442  -6.781
  753    HA   GLN  41           HA       GLN  41  14.860 -13.764  -8.102
  754    HB2  GLN  41           HB2      GLN  41  17.239 -13.073  -8.132
  755    HB3  GLN  41           HB1      GLN  41  17.351 -13.433  -6.415
  756    HG2  GLN  41           HG2      GLN  41  16.797 -15.786  -6.908
  757    HG3  GLN  41           HG1      GLN  41  16.799 -15.396  -8.627
  758   HE21  GLN  41          HE21      GLN  41  18.478 -16.818  -9.063
  759   HE22  GLN  41          HE22      GLN  41  20.108 -16.498  -8.590
  760    H    GLN  42           HN       GLN  42  15.600 -13.069  -4.699
  761    HA   GLN  42           HA       GLN  42  14.977 -15.605  -3.680
  762    HB2  GLN  42           HB2      GLN  42  16.144 -13.759  -2.443
  763    HB3  GLN  42           HB1      GLN  42  14.586 -12.962  -2.268
  764    HG2  GLN  42           HG2      GLN  42  15.079 -14.133  -0.248
  765    HG3  GLN  42           HG1      GLN  42  13.752 -14.957  -1.067
  766   HE21  GLN  42          HE21      GLN  42  17.101 -15.114  -0.157
  767   HE22  GLN  42          HE22      GLN  42  17.319 -16.799  -0.473
  768    H    GLN  43           HN       GLN  43  12.982 -12.866  -4.527
  769    HA   GLN  43           HA       GLN  43  10.580 -13.978  -3.378
  770    HB2  GLN  43           HB2      GLN  43  10.743 -11.594  -3.397
  771    HB3  GLN  43           HB1      GLN  43  11.137 -11.568  -5.109
  772    HG2  GLN  43           HG2      GLN  43   8.527 -12.727  -4.323
  773    HG3  GLN  43           HG1      GLN  43   8.725 -10.981  -4.190
  774   HE21  GLN  43          HE21      GLN  43   9.108  -9.767  -6.058
  775   HE22  GLN  43          HE22      GLN  43   8.751 -10.382  -7.632
  776    H    GLN  44           HN       GLN  44  12.204 -13.917  -6.443
  777    HA   GLN  44           HA       GLN  44  10.036 -14.717  -8.080
  778    HB2  GLN  44           HB2      GLN  44  12.505 -13.821  -8.623
  779    HB3  GLN  44           HB1      GLN  44  12.799 -15.545  -8.804
  780    HG2  GLN  44           HG2      GLN  44  12.259 -14.524 -10.932
  781    HG3  GLN  44           HG1      GLN  44  11.018 -15.685 -10.460
  782   HE21  GLN  44          HE21      GLN  44   8.984 -14.926  -9.818
  783   HE22  GLN  44          HE22      GLN  44   8.448 -13.327 -10.194
  784    H    LEU  45           HN       LEU  45  12.056 -16.348  -5.854
  785    HA   LEU  45           HA       LEU  45  12.095 -18.954  -6.789
  786    HB2  LEU  45           HB2      LEU  45  13.362 -18.495  -4.873
  787    HB3  LEU  45           HB1      LEU  45  12.007 -17.762  -4.038
  788    HG   LEU  45           HG       LEU  45  10.977 -20.111  -4.005
  789   HD11  LEU  45          HD11      LEU  45  13.843 -20.840  -4.593
  790   HD12  LEU  45          HD12      LEU  45  12.463 -21.119  -5.656
  791   HD13  LEU  45          HD13      LEU  45  12.566 -21.956  -4.107
  792   HD21  LEU  45          HD21      LEU  45  12.267 -20.720  -2.001
  793   HD22  LEU  45          HD22      LEU  45  11.818 -19.014  -2.018
  794   HD23  LEU  45          HD23      LEU  45  13.467 -19.496  -2.419
  795    H    LEU  46           HN       LEU  46   9.604 -17.378  -4.778
  796    HA   LEU  46           HA       LEU  46   7.564 -18.999  -5.975
  797    HB2  LEU  46           HB2      LEU  46   6.763 -20.022  -3.896
  798    HB3  LEU  46           HB1      LEU  46   8.354 -20.595  -4.352
  799    HG   LEU  46           HG       LEU  46   9.003 -18.565  -2.655
  800   HD11  LEU  46          HD11      LEU  46   6.494 -19.840  -1.571
  801   HD12  LEU  46          HD12      LEU  46   6.662 -18.160  -2.077
  802   HD13  LEU  46          HD13      LEU  46   7.573 -18.757  -0.691
  803   HD21  LEU  46          HD21      LEU  46   9.486 -20.317  -1.037
  804   HD22  LEU  46          HD22      LEU  46   9.907 -20.844  -2.667
  805   HD23  LEU  46          HD23      LEU  46   8.428 -21.430  -1.906
  806    H    GLN  47           HN       GLN  47   5.866 -17.742  -6.226
  807    HA   GLN  47           HA       GLN  47   5.537 -15.413  -4.483
  808    HB2  GLN  47           HB2      GLN  47   5.648 -15.063  -6.941
  809    HB3  GLN  47           HB1      GLN  47   4.191 -16.033  -7.119
  810    HG2  GLN  47           HG2      GLN  47   3.946 -13.496  -7.118
  811    HG3  GLN  47           HG1      GLN  47   2.849 -14.429  -6.100
  812   HE21  GLN  47          HE21      GLN  47   2.441 -12.811  -4.659
  813   HE22  GLN  47          HE22      GLN  47   3.625 -12.199  -3.560
  814    H    ARG  48           HN       ARG  48   4.846 -17.294  -2.945
  815    HA   ARG  48           HA       ARG  48   1.925 -17.293  -2.942
  816    HB2  ARG  48           HB2      ARG  48   3.605 -19.782  -2.595
  817    HB3  ARG  48           HB1      ARG  48   1.874 -19.689  -2.304
  818    HG2  ARG  48           HG2      ARG  48   1.500 -19.144  -4.643
  819    HG3  ARG  48           HG1      ARG  48   3.238 -19.210  -4.940
  820    HD2  ARG  48           HD2      ARG  48   3.254 -21.568  -4.275
  821    HD3  ARG  48           HD1      ARG  48   1.514 -21.497  -3.995
  822    HE   ARG  48           HE       ARG  48   1.713 -20.711  -6.555
  823   HH11  ARG  48          HH11      ARG  48   3.058 -23.427  -4.835
  824   HH12  ARG  48          HH12      ARG  48   3.069 -24.464  -6.223
  825   HH21  ARG  48          HH21      ARG  48   1.722 -22.068  -8.385
  826   HH22  ARG  48          HH22      ARG  48   2.308 -23.692  -8.240
  827    H    ASP   1           HT1      ASP   1  -7.111 -14.862 -16.076
  828    HA   ASP   1           HA       ASP   1  -6.263 -16.114 -13.531
  829    HB2  ASP   1           HB2      ASP   1  -4.620 -15.012 -15.823
  830    HB3  ASP   1           HB1      ASP   1  -3.973 -15.602 -14.295
  831    H    GLU   2           HN       GLU   2  -7.516 -14.482 -12.441
  832    HA   GLU   2           HA       GLU   2  -5.980 -12.161 -11.841
  833    HB2  GLU   2           HB2      GLU   2  -7.613 -10.465 -12.526
  834    HB3  GLU   2           HB1      GLU   2  -6.993 -11.350 -13.913
  835    HG2  GLU   2           HG2      GLU   2  -9.030 -12.717 -13.934
  836    HG3  GLU   2           HG1      GLU   2  -9.653 -11.784 -12.573
  837    H    ASP   3           HN       ASP   3  -7.744 -14.545 -10.846
  838    HA   ASP   3           HA       ASP   3  -9.634 -13.265  -9.107
  839    HB2  ASP   3           HB2      ASP   3  -9.927 -15.522  -8.142
  840    HB3  ASP   3           HB1      ASP   3 -10.062 -15.529  -9.897
  841    H    THR   4           HN       THR   4  -8.810 -15.178  -6.845
  842    HA   THR   4           HA       THR   4  -7.278 -13.251  -5.424
  843    HB   THR   4           HB       THR   4  -7.357 -15.926  -4.259
  844    HG1  THR   4           HG1      THR   4  -9.836 -14.656  -4.240
  845   HG21  THR   4          HG21      THR   4  -6.732 -13.922  -2.997
  846   HG22  THR   4          HG22      THR   4  -8.171 -14.680  -2.315
  847   HG23  THR   4          HG23      THR   4  -8.325 -13.230  -3.311
  848    H    TYR   5           HN       TYR   5  -5.244 -13.331  -4.698
  849    HA   TYR   5           HA       TYR   5  -3.414 -15.189  -6.069
  850    HB2  TYR   5           HB2      TYR   5  -3.292 -12.227  -5.746
  851    HB3  TYR   5           HB1      TYR   5  -1.849 -13.189  -6.052
  852    HD1  TYR   5           HD2      TYR   5  -1.816 -14.663  -8.124
  853    HD2  TYR   5           HD1      TYR   5  -4.706 -11.606  -7.507
  854    HE1  TYR   5           HE2      TYR   5  -2.302 -14.647 -10.531
  855    HE2  TYR   5           HE1      TYR   5  -5.201 -11.578  -9.912
  856    HH   TYR   5           HH       TYR   5  -4.331 -12.232 -11.984
  857    H    TYR   6           HN       TYR   6  -1.268 -15.372  -4.855
  858    HA   TYR   6           HA       TYR   6  -1.626 -14.647  -2.032
  859    HB2  TYR   6           HB2      TYR   6   0.250 -16.804  -3.002
  860    HB3  TYR   6           HB1      TYR   6  -0.375 -16.559  -1.379
  861    HD1  TYR   6           HD1      TYR   6  -3.270 -16.203  -1.990
  862    HD2  TYR   6           HD2      TYR   6  -0.443 -18.997  -3.499
  863    HE1  TYR   6           HE1      TYR   6  -5.090 -17.789  -2.420
  864    HE2  TYR   6           HE2      TYR   6  -2.257 -20.598  -3.944
  865    HH   TYR   6           HH       TYR   6  -5.535 -19.730  -3.875
  866    H    LEU   7           HN       LEU   7  -0.301 -13.354  -1.113
  867    HA   LEU   7           HA       LEU   7   2.089 -12.360  -2.531
  868    HB2  LEU   7           HB2      LEU   7  -0.184 -11.109  -1.484
  869    HB3  LEU   7           HB1      LEU   7   1.070 -10.794  -0.319
  870    HG   LEU   7           HG       LEU   7   2.030  -9.233  -1.601
  871   HD11  LEU   7          HD11      LEU   7   1.709  -9.532  -4.268
  872   HD12  LEU   7          HD12      LEU   7   1.822 -11.207  -3.732
  873   HD13  LEU   7          HD13      LEU   7   3.111 -10.071  -3.350
  874   HD21  LEU   7          HD21      LEU   7  -0.313  -8.634  -1.563
  875   HD22  LEU   7          HD22      LEU   7  -0.561  -9.497  -3.080
  876   HD23  LEU   7          HD23      LEU   7   0.473  -8.068  -3.037
  877    H    GLN   8           HN       GLN   8   4.037 -12.771  -1.539
  878    HA   GLN   8           HA       GLN   8   3.837 -13.840   1.179
  879    HB2  GLN   8           HB2      GLN   8   5.055 -15.003  -0.909
  880    HB3  GLN   8           HB1      GLN   8   6.393 -14.065  -0.267
  881    HG2  GLN   8           HG2      GLN   8   5.642 -15.129   2.002
  882    HG3  GLN   8           HG1      GLN   8   4.921 -16.337   0.943
  883   HE21  GLN   8          HE21      GLN   8   7.174 -15.829  -1.028
  884   HE22  GLN   8          HE22      GLN   8   8.506 -16.711  -0.378
  885    H    VAL   9           HN       VAL   9   4.215 -12.430   2.690
  886    HA   VAL   9           HA       VAL   9   6.100 -10.290   2.074
  887    HB   VAL   9           HB       VAL   9   3.489 -10.142   3.540
  888   HG11  VAL   9          HG11      VAL   9   5.007  -9.086   5.054
  889   HG12  VAL   9          HG12      VAL   9   4.086  -7.834   4.222
  890   HG13  VAL   9          HG13      VAL   9   5.751  -8.168   3.744
  891   HG21  VAL   9          HG21      VAL   9   3.483  -9.720   1.153
  892   HG22  VAL   9          HG22      VAL   9   4.721  -8.479   1.354
  893   HG23  VAL   9          HG23      VAL   9   3.116  -8.244   2.045
  894    H    ARG  10           HN       ARG  10   7.777  -9.996   3.436
  895    HA   ARG  10           HA       ARG  10   7.866 -11.770   5.776
  896    HB2  ARG  10           HB2      ARG  10   9.667 -11.774   3.894
  897    HB3  ARG  10           HB1      ARG  10  10.238 -10.294   4.651
  898    HG2  ARG  10           HG2      ARG  10   9.847 -12.744   6.306
  899    HG3  ARG  10           HG1      ARG  10  11.283 -12.583   5.294
  900    HD2  ARG  10           HD2      ARG  10  11.801 -10.450   6.396
  901    HD3  ARG  10           HD1      ARG  10  10.382 -10.645   7.423
  902    HE   ARG  10           HE       ARG  10  11.963 -12.923   7.712
  903   HH11  ARG  10          HH11      ARG  10  12.125  -9.510   8.401
  904   HH12  ARG  10          HH12      ARG  10  13.169  -9.706   9.769
  905   HH21  ARG  10          HH21      ARG  10  13.338 -13.189   9.510
  906   HH22  ARG  10          HH22      ARG  10  13.860 -11.796  10.398
  907    H    GLY  11           HN       GLY  11   8.215 -11.043   7.797
  908    HA2  GLY  11           HA2      GLY  11   8.687  -9.440   9.463
  909    HA3  GLY  11           HA1      GLY  11   8.714  -8.192   8.223
  910    H    ARG  12           HN       ARG  12   7.092  -9.138  10.847
  911    HA   ARG  12           HA       ARG  12   4.397  -9.167  10.225
  912    HB2  ARG  12           HB2      ARG  12   5.626  -9.474  12.499
  913    HB3  ARG  12           HB1      ARG  12   5.385  -7.741  12.672
  914    HG2  ARG  12           HG2      ARG  12   3.587  -8.779  13.785
  915    HG3  ARG  12           HG1      ARG  12   2.937  -8.157  12.266
  916    HD2  ARG  12           HD2      ARG  12   3.198 -10.405  11.276
  917    HD3  ARG  12           HD1      ARG  12   3.742 -11.003  12.843
  918    HE   ARG  12           HE       ARG  12   1.073  -9.805  12.507
  919   HH11  ARG  12          HH11      ARG  12   3.133 -12.436  13.501
  920   HH12  ARG  12          HH12      ARG  12   1.846 -13.337  14.229
  921   HH21  ARG  12          HH21      ARG  12  -0.625 -10.985  13.465
  922   HH22  ARG  12          HH22      ARG  12  -0.289 -12.513  14.208
  923    H    GLU  13           HN       GLU  13   6.366  -6.238  10.880
  924    HA   GLU  13           HA       GLU  13   4.328  -4.398  10.798
  925    HB2  GLU  13           HB2      GLU  13   6.720  -3.944  11.359
  926    HB3  GLU  13           HB1      GLU  13   7.082  -3.979   9.637
  927    HG2  GLU  13           HG2      GLU  13   6.869  -1.717  10.180
  928    HG3  GLU  13           HG1      GLU  13   5.359  -2.152   9.382
  929    H    ASN  14           HN       ASN  14   6.180  -5.671   8.051
  930    HA   ASN  14           HA       ASN  14   4.904  -4.096   6.055
  931    HB2  ASN  14           HB2      ASN  14   6.295  -6.769   5.771
  932    HB3  ASN  14           HB1      ASN  14   5.957  -5.622   4.478
  933   HD21  ASN  14          HD21      ASN  14   8.506  -6.675   5.269
  934   HD22  ASN  14          HD22      ASN  14   9.480  -5.331   5.747
  935    H    PHE  15           HN       PHE  15   4.375  -7.395   7.258
  936    HA   PHE  15           HA       PHE  15   2.359  -8.143   5.484
  937    HB2  PHE  15           HB2      PHE  15   3.555  -9.686   7.000
  938    HB3  PHE  15           HB1      PHE  15   2.671  -9.002   8.362
  939    HD1  PHE  15           HD2      PHE  15   1.479  -9.922   4.945
  940    HD2  PHE  15           HD1      PHE  15   1.311 -10.698   9.137
  941    HE1  PHE  15           HE2      PHE  15  -0.327 -11.525   4.565
  942    HE2  PHE  15           HE1      PHE  15  -0.525 -12.304   8.751
  943    HZ   PHE  15           HZ       PHE  15  -1.340 -12.713   6.458
  944    H    GLU  16           HN       GLU  16   2.102  -6.562   8.662
  945    HA   GLU  16           HA       GLU  16  -0.735  -6.442   8.795
  946    HB2  GLU  16           HB2      GLU  16   1.391  -4.703  10.057
  947    HB3  GLU  16           HB1      GLU  16  -0.319  -4.635  10.460
  948    HG2  GLU  16           HG2      GLU  16   1.407  -7.080  10.765
  949    HG3  GLU  16           HG1      GLU  16   1.040  -5.941  12.059
  950    H    ILE  17           HN       ILE  17   1.607  -4.009   7.617
  951    HA   ILE  17           HA       ILE  17  -0.352  -2.058   7.049
  952    HB   ILE  17           HB       ILE  17   2.474  -2.445   6.392
  953   HG12  ILE  17          HG12      ILE  17   0.977   0.133   6.751
  954   HG13  ILE  17          HG11      ILE  17   1.289  -0.917   8.126
  955   HG21  ILE  17          HG21      ILE  17   0.736  -0.784   4.570
  956   HG22  ILE  17          HG22      ILE  17   1.618  -2.245   4.113
  957   HG23  ILE  17          HG23      ILE  17   2.501  -0.792   4.583
  958   HD11  ILE  17          HD11      ILE  17   2.916   0.927   7.836
  959   HD12  ILE  17          HD12      ILE  17   3.421   0.186   6.315
  960   HD13  ILE  17          HD13      ILE  17   3.649  -0.680   7.836
  961    H    LEU  18           HN       LEU  18   0.979  -4.722   5.088
  962    HA   LEU  18           HA       LEU  18  -0.485  -3.983   2.730
  963    HB2  LEU  18           HB2      LEU  18   1.727  -5.547   3.328
  964    HB3  LEU  18           HB1      LEU  18   0.494  -6.697   2.859
  965    HG   LEU  18           HG       LEU  18   0.138  -5.257   0.796
  966   HD11  LEU  18          HD11      LEU  18   2.832  -4.184   1.570
  967   HD12  LEU  18          HD12      LEU  18   1.322  -3.284   1.691
  968   HD13  LEU  18          HD13      LEU  18   1.914  -3.808   0.114
  969   HD21  LEU  18          HD21      LEU  18   1.270  -7.414   0.703
  970   HD22  LEU  18          HD22      LEU  18   2.794  -6.638   1.133
  971   HD23  LEU  18          HD23      LEU  18   2.014  -6.258  -0.404
  972    H    MET  19           HN       MET  19  -0.942  -6.202   5.438
  973    HA   MET  19           HA       MET  19  -3.035  -7.709   4.259
  974    HB2  MET  19           HB2      MET  19  -1.612  -8.163   6.447
  975    HB3  MET  19           HB1      MET  19  -2.916  -7.290   7.232
  976    HG2  MET  19           HG2      MET  19  -3.122  -9.850   5.666
  977    HG3  MET  19           HG1      MET  19  -3.313  -9.634   7.402
  978    HE1  MET  19           HE1      MET  19  -5.130 -10.976   5.023
  979    HE2  MET  19           HE2      MET  19  -6.785 -10.567   5.483
  980    HE3  MET  19           HE3      MET  19  -5.667 -11.203   6.690
  981    H    LYS  20           HN       LYS  20  -3.091  -5.006   6.556
  982    HA   LYS  20           HA       LYS  20  -5.856  -4.566   6.681
  983    HB2  LYS  20           HB2      LYS  20  -3.867  -3.457   7.945
  984    HB3  LYS  20           HB1      LYS  20  -3.864  -2.332   6.596
  985    HG2  LYS  20           HG2      LYS  20  -6.351  -2.894   8.173
  986    HG3  LYS  20           HG1      LYS  20  -5.174  -1.683   8.681
  987    HD2  LYS  20           HD2      LYS  20  -5.426  -0.627   6.418
  988    HD3  LYS  20           HD1      LYS  20  -6.759  -1.744   6.119
  989    HE2  LYS  20           HE2      LYS  20  -6.626   0.209   8.411
  990    HE3  LYS  20           HE1      LYS  20  -7.503   0.482   6.907
  991    HZ1  LYS  20           HZ1      LYS  20  -8.892  -1.417   7.392
  992    HZ2  LYS  20           HZ2      LYS  20  -8.945  -0.328   8.686
  993    HZ3  LYS  20           HZ3      LYS  20  -8.023  -1.741   8.808
  994    H    LEU  21           HN       LEU  21  -3.382  -3.636   4.425
  995    HA   LEU  21           HA       LEU  21  -4.993  -1.952   2.830
  996    HB2  LEU  21           HB2      LEU  21  -2.402  -2.189   3.113
  997    HB3  LEU  21           HB1      LEU  21  -2.556  -3.383   1.843
  998    HG   LEU  21           HG       LEU  21  -3.620  -1.601   0.435
  999   HD11  LEU  21          HD11      LEU  21  -3.338   0.698   1.092
 1000   HD12  LEU  21          HD12      LEU  21  -2.528   0.217   2.579
 1001   HD13  LEU  21          HD13      LEU  21  -4.239  -0.141   2.352
 1002   HD21  LEU  21          HD21      LEU  21  -0.954  -0.572   1.093
 1003   HD22  LEU  21          HD22      LEU  21  -1.584  -1.210  -0.427
 1004   HD23  LEU  21          HD23      LEU  21  -1.033  -2.313   0.832
 1005    H    LYS  22           HN       LYS  22  -4.199  -5.367   2.674
 1006    HA   LYS  22           HA       LYS  22  -5.139  -5.915   0.108
 1007    HB2  LYS  22           HB2      LYS  22  -3.956  -7.657   1.131
 1008    HB3  LYS  22           HB1      LYS  22  -4.866  -7.527   2.628
 1009    HG2  LYS  22           HG2      LYS  22  -6.542  -8.261   0.373
 1010    HG3  LYS  22           HG1      LYS  22  -5.228  -9.407   0.653
 1011    HD2  LYS  22           HD2      LYS  22  -6.291  -8.730   3.180
 1012    HD3  LYS  22           HD1      LYS  22  -7.659  -9.067   2.117
 1013    HE2  LYS  22           HE2      LYS  22  -6.749 -11.053   3.352
 1014    HE3  LYS  22           HE1      LYS  22  -6.830 -11.236   1.601
 1015    HZ1  LYS  22           HZ1      LYS  22  -4.426 -10.631   3.225
 1016    HZ2  LYS  22           HZ2      LYS  22  -4.451 -10.635   1.534
 1017    HZ3  LYS  22           HZ3      LYS  22  -4.751 -12.064   2.389
 1018    H    GLU  23           HN       GLU  23  -6.754  -5.610   3.201
 1019    HA   GLU  23           HA       GLU  23  -9.331  -6.404   2.316
 1020    HB2  GLU  23           HB2      GLU  23  -8.460  -4.687   4.648
 1021    HB3  GLU  23           HB1      GLU  23 -10.119  -5.202   4.377
 1022    HG2  GLU  23           HG2      GLU  23  -9.486  -7.515   4.630
 1023    HG3  GLU  23           HG1      GLU  23  -7.792  -7.065   4.772
 1024    H    SER  24           HN       SER  24  -7.799  -3.186   2.622
 1025    HA   SER  24           HA       SER  24 -10.045  -1.763   1.825
 1026    HB2  SER  24           HB2      SER  24  -8.624   0.120   1.477
 1027    HB3  SER  24           HB1      SER  24  -7.884  -0.815   2.775
 1028    HG   SER  24           HG       SER  24  -7.139  -0.915   0.037
 1029    H    LEU  25           HN       LEU  25  -7.427  -3.090  -0.206
 1030    HA   LEU  25           HA       LEU  25  -8.402  -2.102  -2.679
 1031    HB2  LEU  25           HB2      LEU  25  -6.516  -4.254  -1.845
 1032    HB3  LEU  25           HB1      LEU  25  -7.080  -4.219  -3.503
 1033    HG   LEU  25           HG       LEU  25  -5.695  -1.910  -2.138
 1034   HD11  LEU  25          HD11      LEU  25  -4.254  -3.910  -2.401
 1035   HD12  LEU  25          HD12      LEU  25  -3.723  -2.526  -3.356
 1036   HD13  LEU  25          HD13      LEU  25  -4.569  -3.863  -4.134
 1037   HD21  LEU  25          HD21      LEU  25  -5.518  -0.975  -4.352
 1038   HD22  LEU  25          HD22      LEU  25  -7.213  -1.326  -4.010
 1039   HD23  LEU  25          HD23      LEU  25  -6.283  -2.400  -5.055
 1040    H    GLU  26           HN       GLU  26  -8.896  -5.211  -1.039
 1041    HA   GLU  26           HA       GLU  26 -10.480  -6.334  -3.108
 1042    HB2  GLU  26           HB2      GLU  26 -10.132  -7.026  -0.199
 1043    HB3  GLU  26           HB1      GLU  26 -11.212  -7.927  -1.255
 1044    HG2  GLU  26           HG2      GLU  26  -9.202  -8.264  -2.768
 1045    HG3  GLU  26           HG1      GLU  26  -8.229  -7.673  -1.422
 1046    H    LEU  27           HN       LEU  27 -11.278  -4.632  -0.116
 1047    HA   LEU  27           HA       LEU  27 -14.097  -4.912  -0.292
 1048    HB2  LEU  27           HB2      LEU  27 -12.260  -3.074   1.195
 1049    HB3  LEU  27           HB1      LEU  27 -13.994  -2.813   1.212
 1050    HG   LEU  27           HG       LEU  27 -12.735  -5.423   2.044
 1051   HD11  LEU  27          HD11      LEU  27 -13.567  -3.122   3.803
 1052   HD12  LEU  27          HD12      LEU  27 -11.907  -3.626   3.485
 1053   HD13  LEU  27          HD13      LEU  27 -13.005  -4.703   4.346
 1054   HD21  LEU  27          HD21      LEU  27 -15.458  -4.218   2.514
 1055   HD22  LEU  27          HD22      LEU  27 -14.891  -5.758   3.160
 1056   HD23  LEU  27          HD23      LEU  27 -15.080  -5.548   1.419
 1057    H    MET  28           HN       MET  28 -11.888  -2.478  -1.665
 1058    HA   MET  28           HA       MET  28 -13.837  -0.649  -2.259
 1059    HB2  MET  28           HB2      MET  28 -11.342  -0.351  -2.618
 1060    HB3  MET  28           HB1      MET  28 -11.527  -1.236  -4.127
 1061    HG2  MET  28           HG2      MET  28 -13.389   0.586  -4.543
 1062    HG3  MET  28           HG1      MET  28 -12.406   1.496  -3.405
 1063    HE1  MET  28           HE1      MET  28  -9.392   2.583  -5.252
 1064    HE2  MET  28           HE2      MET  28  -9.402   1.338  -4.005
 1065    HE3  MET  28           HE3      MET  28 -10.483   2.724  -3.871
 1066    H    GLU  29           HN       GLU  29 -13.679  -3.810  -3.487
 1067    HA   GLU  29           HA       GLU  29 -15.056  -3.168  -5.970
 1068    HB2  GLU  29           HB2      GLU  29 -14.610  -5.318  -6.633
 1069    HB3  GLU  29           HB1      GLU  29 -13.257  -5.024  -5.551
 1070    HG2  GLU  29           HG2      GLU  29 -14.560  -6.157  -3.746
 1071    HG3  GLU  29           HG1      GLU  29 -15.761  -6.583  -4.962
 1072    H    LEU  30           HN       LEU  30 -15.811  -4.062  -2.718
 1073    HA   LEU  30           HA       LEU  30 -18.420  -5.125  -3.461
 1074    HB2  LEU  30           HB2      LEU  30 -18.359  -6.278  -1.556
 1075    HB3  LEU  30           HB1      LEU  30 -16.666  -5.844  -1.513
 1076    HG   LEU  30           HG       LEU  30 -18.860  -4.357  -0.080
 1077   HD11  LEU  30          HD11      LEU  30 -18.016  -5.385   1.939
 1078   HD12  LEU  30          HD12      LEU  30 -16.779  -6.241   1.015
 1079   HD13  LEU  30          HD13      LEU  30 -18.482  -6.636   0.786
 1080   HD21  LEU  30          HD21      LEU  30 -15.871  -4.073  -0.038
 1081   HD22  LEU  30          HD22      LEU  30 -16.944  -3.349   1.153
 1082   HD23  LEU  30          HD23      LEU  30 -17.054  -2.865  -0.538
 1083    H    VAL  31           HN       VAL  31 -17.234  -2.180  -3.247
 1084    HA   VAL  31           HA       VAL  31 -19.549  -1.044  -1.843
 1085    HB   VAL  31           HB       VAL  31 -17.554  -0.028  -1.058
 1086   HG11  VAL  31          HG11      VAL  31 -16.797   0.423  -3.939
 1087   HG12  VAL  31          HG12      VAL  31 -16.035  -0.701  -2.814
 1088   HG13  VAL  31          HG13      VAL  31 -15.911   1.037  -2.543
 1089   HG21  VAL  31          HG21      VAL  31 -17.773   2.341  -2.095
 1090   HG22  VAL  31          HG22      VAL  31 -19.129   1.657  -1.204
 1091   HG23  VAL  31          HG23      VAL  31 -19.136   1.645  -2.966
 1092    HA   PRO  32           HA       PRO  32 -21.716  -0.637  -5.705
 1093    HB2  PRO  32           HB2      PRO  32 -22.584   1.887  -4.328
 1094    HB3  PRO  32           HB1      PRO  32 -23.554   0.719  -5.235
 1095    HG2  PRO  32           HG2      PRO  32 -23.510   0.702  -2.559
 1096    HG3  PRO  32           HG1      PRO  32 -23.600  -0.801  -3.495
 1097    HD2  PRO  32           HD2      PRO  32 -21.349   0.311  -1.934
 1098    HD3  PRO  32           HD1      PRO  32 -21.679  -1.370  -2.399
 1099    H    GLN  33           HN       GLN  33 -20.940   0.152  -7.568
 1100    HA   GLN  33           HA       GLN  33 -18.756   1.812  -7.805
 1101    HB2  GLN  33           HB2      GLN  33 -19.545   0.325  -9.588
 1102    HB3  GLN  33           HB1      GLN  33 -20.928   1.376  -9.857
 1103    HG2  GLN  33           HG2      GLN  33 -19.461   3.176 -10.549
 1104    HG3  GLN  33           HG1      GLN  33 -18.048   2.177 -10.211
 1105   HE21  GLN  33          HE21      GLN  33 -19.333  -0.239 -11.245
 1106   HE22  GLN  33          HE22      GLN  33 -19.314  -0.088 -12.965
 1107    HA   PRO  34           HA       PRO  34 -21.882   5.490  -8.846
 1108    HB2  PRO  34           HB2      PRO  34 -23.946   4.763  -6.830
 1109    HB3  PRO  34           HB1      PRO  34 -24.138   5.510  -8.420
 1110    HG2  PRO  34           HG2      PRO  34 -24.773   2.956  -8.046
 1111    HG3  PRO  34           HG1      PRO  34 -23.972   3.482  -9.538
 1112    HD2  PRO  34           HD2      PRO  34 -22.825   2.069  -7.165
 1113    HD3  PRO  34           HD1      PRO  34 -22.476   1.842  -8.891
 1114    H    LEU  35           HN       LEU  35 -21.529   4.006  -5.658
 1115    HA   LEU  35           HA       LEU  35 -21.473   6.505  -4.251
 1116    HB2  LEU  35           HB2      LEU  35 -22.326   4.434  -3.233
 1117    HB3  LEU  35           HB1      LEU  35 -20.746   3.698  -3.395
 1118    HG   LEU  35           HG       LEU  35 -19.823   5.245  -1.781
 1119   HD11  LEU  35          HD11      LEU  35 -22.593   6.404  -1.618
 1120   HD12  LEU  35          HD12      LEU  35 -21.158   7.208  -2.254
 1121   HD13  LEU  35          HD13      LEU  35 -21.251   6.796  -0.542
 1122   HD21  LEU  35          HD21      LEU  35 -22.370   3.968  -0.814
 1123   HD22  LEU  35          HD22      LEU  35 -21.023   4.480   0.203
 1124   HD23  LEU  35          HD23      LEU  35 -20.800   3.177  -0.963
 1125    H    VAL  36           HN       VAL  36 -19.170   4.313  -5.681
 1126    HA   VAL  36           HA       VAL  36 -16.841   5.492  -4.447
 1127    HB   VAL  36           HB       VAL  36 -17.124   3.683  -6.862
 1128   HG11  VAL  36          HG11      VAL  36 -14.667   3.438  -6.755
 1129   HG12  VAL  36          HG12      VAL  36 -14.614   4.725  -5.551
 1130   HG13  VAL  36          HG13      VAL  36 -15.169   5.072  -7.188
 1131   HG21  VAL  36          HG21      VAL  36 -16.057   3.174  -4.086
 1132   HG22  VAL  36          HG22      VAL  36 -16.116   2.001  -5.403
 1133   HG23  VAL  36          HG23      VAL  36 -17.613   2.629  -4.714
 1134    H    ASP  37           HN       ASP  37 -18.618   5.928  -7.463
 1135    HA   ASP  37           HA       ASP  37 -16.829   7.681  -8.721
 1136    HB2  ASP  37           HB2      ASP  37 -18.777   6.701  -9.870
 1137    HB3  ASP  37           HB1      ASP  37 -19.857   7.649  -8.851
 1138    H    SER  38           HN       SER  38 -19.500   8.277  -6.427
 1139    HA   SER  38           HA       SER  38 -19.328  11.059  -6.385
 1140    HB2  SER  38           HB2      SER  38 -21.181   9.843  -5.350
 1141    HB3  SER  38           HB1      SER  38 -20.089   9.175  -4.138
 1142    HG   SER  38           HG       SER  38 -20.077  11.930  -4.361
 1143    H    TYR  39           HN       TYR  39 -17.599   8.649  -4.421
 1144    HA   TYR  39           HA       TYR  39 -16.213  10.460  -2.788
 1145    HB2  TYR  39           HB2      TYR  39 -16.095   8.276  -2.017
 1146    HB3  TYR  39           HB1      TYR  39 -15.766   7.619  -3.617
 1147    HD1  TYR  39           HD2      TYR  39 -14.259   9.513  -0.812
 1148    HD2  TYR  39           HD1      TYR  39 -13.552   7.278  -4.359
 1149    HE1  TYR  39           HE2      TYR  39 -11.857   9.482  -0.308
 1150    HE2  TYR  39           HE1      TYR  39 -11.160   7.244  -3.872
 1151    HH   TYR  39           HH       TYR  39  -9.517   8.572  -2.574
 1152    H    ARG  40           HN       ARG  40 -15.320   8.947  -5.866
 1153    HA   ARG  40           HA       ARG  40 -12.740   9.949  -6.108
 1154    HB2  ARG  40           HB2      ARG  40 -14.806   9.206  -8.168
 1155    HB3  ARG  40           HB1      ARG  40 -13.191   9.738  -8.619
 1156    HG2  ARG  40           HG2      ARG  40 -12.221   7.888  -7.375
 1157    HG3  ARG  40           HG1      ARG  40 -13.834   7.362  -6.886
 1158    HD2  ARG  40           HD2      ARG  40 -14.425   6.981  -9.222
 1159    HD3  ARG  40           HD1      ARG  40 -12.829   7.538  -9.725
 1160    HE   ARG  40           HE       ARG  40 -12.439   5.452  -7.934
 1161   HH11  ARG  40          HH11      ARG  40 -13.874   5.936 -11.073
 1162   HH12  ARG  40          HH12      ARG  40 -13.540   4.325 -11.615
 1163   HH21  ARG  40          HH21      ARG  40 -11.994   3.331  -8.641
 1164   HH22  ARG  40          HH22      ARG  40 -12.474   2.845 -10.234
 1165    H    GLN  41           HN       GLN  41 -15.829  11.448  -6.781
 1166    HA   GLN  41           HA       GLN  41 -14.852  13.770  -8.102
 1167    HB2  GLN  41           HB2      GLN  41 -17.231  13.080  -8.130
 1168    HB3  GLN  41           HB1      GLN  41 -17.341  13.441  -6.413
 1169    HG2  GLN  41           HG2      GLN  41 -16.786  15.793  -6.906
 1170    HG3  GLN  41           HG1      GLN  41 -16.789  15.403  -8.625
 1171   HE21  GLN  41          HE21      GLN  41 -18.468  16.828  -9.059
 1172   HE22  GLN  41          HE22      GLN  41 -20.098  16.506  -8.587
 1173    H    GLN  42           HN       GLN  42 -15.589  13.075  -4.699
 1174    HA   GLN  42           HA       GLN  42 -14.964  15.611  -3.680
 1175    HB2  GLN  42           HB2      GLN  42 -16.132  13.766  -2.442
 1176    HB3  GLN  42           HB1      GLN  42 -14.575  12.968  -2.267
 1177    HG2  GLN  42           HG2      GLN  42 -15.067  14.139  -0.247
 1178    HG3  GLN  42           HG1      GLN  42 -13.740  14.962  -1.065
 1179   HE21  GLN  42          HE21      GLN  42 -17.090  15.121  -0.155
 1180   HE22  GLN  42          HE22      GLN  42 -17.306  16.805  -0.470
 1181    H    GLN  43           HN       GLN  43 -12.973  12.871  -4.529
 1182    HA   GLN  43           HA       GLN  43 -10.570  13.982  -3.378
 1183    HB2  GLN  43           HB2      GLN  43 -10.733  11.598  -3.396
 1184    HB3  GLN  43           HB1      GLN  43 -11.129  11.571  -5.107
 1185    HG2  GLN  43           HG2      GLN  43  -8.518  12.729  -4.323
 1186    HG3  GLN  43           HG1      GLN  43  -8.717  10.982  -4.192
 1187   HE21  GLN  43          HE21      GLN  43  -9.100   9.771  -6.058
 1188   HE22  GLN  43          HE22      GLN  43  -8.744  10.386  -7.633
 1189    H    GLN  44           HN       GLN  44 -12.194  13.922  -6.443
 1190    HA   GLN  44           HA       GLN  44 -10.028  14.720  -8.080
 1191    HB2  GLN  44           HB2      GLN  44 -12.496  13.826  -8.621
 1192    HB3  GLN  44           HB1      GLN  44 -12.790  15.549  -8.803
 1193    HG2  GLN  44           HG2      GLN  44 -12.251  14.529 -10.932
 1194    HG3  GLN  44           HG1      GLN  44 -11.009  15.688 -10.458
 1195   HE21  GLN  44          HE21      GLN  44  -8.975  14.929  -9.820
 1196   HE22  GLN  44          HE22      GLN  44  -8.441  13.330 -10.196
 1197    H    LEU  45           HN       LEU  45 -12.045  16.353  -5.853
 1198    HA   LEU  45           HA       LEU  45 -12.084  18.959  -6.787
 1199    HB2  LEU  45           HB2      LEU  45 -13.351  18.499  -4.871
 1200    HB3  LEU  45           HB1      LEU  45 -11.995  17.765  -4.037
 1201    HG   LEU  45           HG       LEU  45 -10.965  20.114  -4.004
 1202   HD11  LEU  45          HD11      LEU  45 -13.829  20.845  -4.592
 1203   HD12  LEU  45          HD12      LEU  45 -12.449  21.122  -5.656
 1204   HD13  LEU  45          HD13      LEU  45 -12.552  21.960  -4.107
 1205   HD21  LEU  45          HD21      LEU  45 -12.254  20.725  -2.000
 1206   HD22  LEU  45          HD22      LEU  45 -11.807  19.018  -2.017
 1207   HD23  LEU  45          HD23      LEU  45 -13.455  19.503  -2.418
 1208    H    LEU  46           HN       LEU  46  -9.594  17.382  -4.777
 1209    HA   LEU  46           HA       LEU  46  -7.553  19.000  -5.976
 1210    HB2  LEU  46           HB2      LEU  46  -6.750  20.023  -3.897
 1211    HB3  LEU  46           HB1      LEU  46  -8.341  20.597  -4.353
 1212    HG   LEU  46           HG       LEU  46  -8.991  18.568  -2.655
 1213   HD11  LEU  46          HD11      LEU  46  -6.481  19.841  -1.572
 1214   HD12  LEU  46          HD12      LEU  46  -6.650  18.161  -2.079
 1215   HD13  LEU  46          HD13      LEU  46  -7.560  18.759  -0.692
 1216   HD21  LEU  46          HD21      LEU  46  -9.472  20.320  -1.038
 1217   HD22  LEU  46          HD22      LEU  46  -9.893  20.846  -2.667
 1218   HD23  LEU  46          HD23      LEU  46  -8.414  21.432  -1.906
 1219    H    GLN  47           HN       GLN  47  -5.855  17.743  -6.226
 1220    HA   GLN  47           HA       GLN  47  -5.528  15.414  -4.482
 1221    HB2  GLN  47           HB2      GLN  47  -5.639  15.063  -6.941
 1222    HB3  GLN  47           HB1      GLN  47  -4.183  16.033  -7.120
 1223    HG2  GLN  47           HG2      GLN  47  -3.937  13.496  -7.119
 1224    HG3  GLN  47           HG1      GLN  47  -2.840  14.430  -6.100
 1225   HE21  GLN  47          HE21      GLN  47  -2.433  12.810  -4.660
 1226   HE22  GLN  47          HE22      GLN  47  -3.618  12.199  -3.561
 1227    H    ARG  48           HN       ARG  48  -4.834  17.295  -2.945
 1228    HA   ARG  48           HA       ARG  48  -1.914  17.292  -2.945
 1229    HB2  ARG  48           HB2      ARG  48  -3.591  19.782  -2.596
 1230    HB3  ARG  48           HB1      ARG  48  -1.859  19.687  -2.307
 1231    HG2  ARG  48           HG2      ARG  48  -1.488  19.142  -4.646
 1232    HG3  ARG  48           HG1      ARG  48  -3.226  19.209  -4.942
 1233    HD2  ARG  48           HD2      ARG  48  -3.240  21.568  -4.279
 1234    HD3  ARG  48           HD1      ARG  48  -1.501  21.496  -3.998
 1235    HE   ARG  48           HE       ARG  48  -1.699  20.709  -6.558
 1236   HH11  ARG  48          HH11      ARG  48  -3.043  23.425  -4.838
 1237   HH12  ARG  48          HH12      ARG  48  -3.054  24.462  -6.225
 1238   HH21  ARG  48          HH21      ARG  48  -1.710  22.066  -8.388
 1239   HH22  ARG  48          HH22      ARG  48  -2.295  23.690  -8.243
 1240    H    ASP   1           HT1      ASP   1   7.089 -14.868  16.074
 1241    HA   ASP   1           HA       ASP   1   6.240 -16.121  13.530
 1242    HB2  ASP   1           HB2      ASP   1   4.598 -15.018  15.823
 1243    HB3  ASP   1           HB1      ASP   1   3.950 -15.607  14.295
 1244    H    GLU   2           HN       GLU   2   7.493 -14.491  12.438
 1245    HA   GLU   2           HA       GLU   2   5.962 -12.167  11.839
 1246    HB2  GLU   2           HB2      GLU   2   7.598 -10.473  12.525
 1247    HB3  GLU   2           HB1      GLU   2   6.976 -11.358  13.911
 1248    HG2  GLU   2           HG2      GLU   2   9.012 -12.727  13.933
 1249    HG3  GLU   2           HG1      GLU   2   9.637 -11.795  12.573
 1250    H    ASP   3           HN       ASP   3   7.722 -14.554  10.844
 1251    HA   ASP   3           HA       ASP   3   9.615 -13.275   9.106
 1252    HB2  ASP   3           HB2      ASP   3   9.907 -15.533   8.142
 1253    HB3  ASP   3           HB1      ASP   3  10.040 -15.540   9.898
 1254    H    THR   4           HN       THR   4   8.790 -15.189   6.844
 1255    HA   THR   4           HA       THR   4   7.260 -13.259   5.423
 1256    HB   THR   4           HB       THR   4   7.336 -15.934   4.258
 1257    HG1  THR   4           HG1      THR   4   9.815 -14.666   4.237
 1258   HG21  THR   4          HG21      THR   4   6.713 -13.929   2.995
 1259   HG22  THR   4          HG22      THR   4   8.151 -14.689   2.314
 1260   HG23  THR   4          HG23      THR   4   8.306 -13.240   3.310
 1261    H    TYR   5           HN       TYR   5   5.225 -13.336   4.697
 1262    HA   TYR   5           HA       TYR   5   3.393 -15.193   6.068
 1263    HB2  TYR   5           HB2      TYR   5   3.274 -12.230   5.744
 1264    HB3  TYR   5           HB1      TYR   5   1.830 -13.192   6.051
 1265    HD1  TYR   5           HD2      TYR   5   1.795 -14.664   8.122
 1266    HD2  TYR   5           HD1      TYR   5   4.690 -11.611   7.505
 1267    HE1  TYR   5           HE2      TYR   5   2.282 -14.649  10.530
 1268    HE2  TYR   5           HE1      TYR   5   5.185 -11.584   9.910
 1269    HH   TYR   5           HH       TYR   5   4.314 -12.237  11.982
 1270    H    TYR   6           HN       TYR   6   1.247 -15.372   4.853
 1271    HA   TYR   6           HA       TYR   6   1.607 -14.647   2.031
 1272    HB2  TYR   6           HB2      TYR   6  -0.271 -16.801   3.000
 1273    HB3  TYR   6           HB1      TYR   6   0.353 -16.556   1.378
 1274    HD1  TYR   6           HD1      TYR   6   3.248 -16.205   1.989
 1275    HD2  TYR   6           HD2      TYR   6   0.417 -18.996   3.496
 1276    HE1  TYR   6           HE1      TYR   6   5.066 -17.794   2.419
 1277    HE2  TYR   6           HE2      TYR   6   2.229 -20.599   3.942
 1278    HH   TYR   6           HH       TYR   6   5.508 -19.733   3.873
 1279    H    LEU   7           HN       LEU   7   0.283 -13.354   1.111
 1280    HA   LEU   7           HA       LEU   7  -2.106 -12.355   2.528
 1281    HB2  LEU   7           HB2      LEU   7   0.169 -11.108   1.482
 1282    HB3  LEU   7           HB1      LEU   7  -1.084 -10.792   0.318
 1283    HG   LEU   7           HG       LEU   7  -2.043  -9.230   1.599
 1284   HD11  LEU   7          HD11      LEU   7  -1.724  -9.531   4.267
 1285   HD12  LEU   7          HD12      LEU   7  -1.841 -11.205   3.728
 1286   HD13  LEU   7          HD13      LEU   7  -3.127 -10.067   3.347
 1287   HD21  LEU   7          HD21      LEU   7   0.301  -8.634   1.561
 1288   HD22  LEU   7          HD22      LEU   7   0.548  -9.497   3.079
 1289   HD23  LEU   7          HD23      LEU   7  -0.485  -8.067   3.036
 1290    H    GLN   8           HN       GLN   8  -4.054 -12.766   1.537
 1291    HA   GLN   8           HA       GLN   8  -3.855 -13.834  -1.182
 1292    HB2  GLN   8           HB2      GLN   8  -5.075 -14.995   0.908
 1293    HB3  GLN   8           HB1      GLN   8  -6.411 -14.055   0.264
 1294    HG2  GLN   8           HG2      GLN   8  -5.660 -15.121  -2.004
 1295    HG3  GLN   8           HG1      GLN   8  -4.942 -16.330  -0.943
 1296   HE21  GLN   8          HE21      GLN   8  -7.195 -15.816   1.025
 1297   HE22  GLN   8          HE22      GLN   8  -8.528 -16.696   0.376
 1298    H    VAL   9           HN       VAL   9  -4.232 -12.423  -2.693
 1299    HA   VAL   9           HA       VAL   9  -6.114 -10.282  -2.077
 1300    HB   VAL   9           HB       VAL   9  -3.503 -10.135  -3.542
 1301   HG11  VAL   9          HG11      VAL   9  -5.019  -9.077  -5.056
 1302   HG12  VAL   9          HG12      VAL   9  -4.096  -7.827  -4.223
 1303   HG13  VAL   9          HG13      VAL   9  -5.762  -8.159  -3.746
 1304   HG21  VAL   9          HG21      VAL   9  -3.496  -9.715  -1.155
 1305   HG22  VAL   9          HG22      VAL   9  -4.732  -8.472  -1.355
 1306   HG23  VAL   9          HG23      VAL   9  -3.127  -8.240  -2.047
 1307    H    ARG  10           HN       ARG  10  -7.790  -9.985  -3.439
 1308    HA   ARG  10           HA       ARG  10  -7.881 -11.758  -5.779
 1309    HB2  ARG  10           HB2      ARG  10  -9.681 -11.761  -3.897
 1310    HB3  ARG  10           HB1      ARG  10 -10.252 -10.280  -4.653
 1311    HG2  ARG  10           HG2      ARG  10  -9.864 -12.730  -6.309
 1312    HG3  ARG  10           HG1      ARG  10 -11.299 -12.567  -5.296
 1313    HD2  ARG  10           HD2      ARG  10 -11.814 -10.433  -6.398
 1314    HD3  ARG  10           HD1      ARG  10 -10.395 -10.630  -7.425
 1315    HE   ARG  10           HE       ARG  10 -11.981 -12.904  -7.713
 1316   HH11  ARG  10          HH11      ARG  10 -12.139  -9.492  -8.403
 1317   HH12  ARG  10          HH12      ARG  10 -13.183  -9.687  -9.771
 1318   HH21  ARG  10          HH21      ARG  10 -13.353 -13.169  -9.512
 1319   HH22  ARG  10          HH22      ARG  10 -13.874 -11.777 -10.401
 1320    H    GLY  11           HN       GLY  11  -8.228 -11.030  -7.800
 1321    HA2  GLY  11           HA2      GLY  11  -8.699  -9.426  -9.465
 1322    HA3  GLY  11           HA1      GLY  11  -8.725  -8.178  -8.225
 1323    H    ARG  12           HN       ARG  12  -7.104  -9.126 -10.849
 1324    HA   ARG  12           HA       ARG  12  -4.409  -9.158 -10.227
 1325    HB2  ARG  12           HB2      ARG  12  -5.637  -9.466 -12.501
 1326    HB3  ARG  12           HB1      ARG  12  -5.395  -7.732 -12.674
 1327    HG2  ARG  12           HG2      ARG  12  -3.598  -8.772 -13.786
 1328    HG3  ARG  12           HG1      ARG  12  -2.947  -8.151 -12.268
 1329    HD2  ARG  12           HD2      ARG  12  -3.212 -10.398 -11.278
 1330    HD3  ARG  12           HD1      ARG  12  -3.756 -10.996 -12.844
 1331    HE   ARG  12           HE       ARG  12  -1.086  -9.801 -12.509
 1332   HH11  ARG  12          HH11      ARG  12  -3.148 -12.429 -13.503
 1333   HH12  ARG  12          HH12      ARG  12  -1.861 -13.332 -14.230
 1334   HH21  ARG  12          HH21      ARG  12   0.612 -10.983 -13.465
 1335   HH22  ARG  12          HH22      ARG  12   0.275 -12.510 -14.210
 1336    H    GLU  13           HN       GLU  13  -6.374  -6.228 -10.881
 1337    HA   GLU  13           HA       GLU  13  -4.334  -4.390 -10.799
 1338    HB2  GLU  13           HB2      GLU  13  -6.725  -3.933 -11.359
 1339    HB3  GLU  13           HB1      GLU  13  -7.087  -3.967  -9.638
 1340    HG2  GLU  13           HG2      GLU  13  -6.872  -1.706 -10.182
 1341    HG3  GLU  13           HG1      GLU  13  -5.362  -2.143  -9.384
 1342    H    ASN  14           HN       ASN  14  -6.187  -5.662  -8.053
 1343    HA   ASN  14           HA       ASN  14  -4.910  -4.088  -6.057
 1344    HB2  ASN  14           HB2      ASN  14  -6.304  -6.759  -5.774
 1345    HB3  ASN  14           HB1      ASN  14  -5.964  -5.614  -4.480
 1346   HD21  ASN  14          HD21      ASN  14  -8.515  -6.662  -5.271
 1347   HD22  ASN  14          HD22      ASN  14  -9.488  -5.317  -5.749
 1348    H    PHE  15           HN       PHE  15  -4.385  -7.387  -7.259
 1349    HA   PHE  15           HA       PHE  15  -2.370  -8.137  -5.485
 1350    HB2  PHE  15           HB2      PHE  15  -3.568  -9.679  -7.003
 1351    HB3  PHE  15           HB1      PHE  15  -2.682  -8.996  -8.364
 1352    HD1  PHE  15           HD2      PHE  15  -1.492  -9.917  -4.947
 1353    HD2  PHE  15           HD1      PHE  15  -1.327 -10.694  -9.138
 1354    HE1  PHE  15           HE2      PHE  15   0.311 -11.523  -4.568
 1355    HE2  PHE  15           HE1      PHE  15   0.507 -12.303  -8.754
 1356    HZ   PHE  15           HZ       PHE  15   1.323 -12.712  -6.461
 1357    H    GLU  16           HN       GLU  16  -2.110  -6.556  -8.663
 1358    HA   GLU  16           HA       GLU  16   0.726  -6.440  -8.795
 1359    HB2  GLU  16           HB2      GLU  16  -1.398  -4.699 -10.058
 1360    HB3  GLU  16           HB1      GLU  16   0.311  -4.632 -10.461
 1361    HG2  GLU  16           HG2      GLU  16  -1.416  -7.076 -10.766
 1362    HG3  GLU  16           HG1      GLU  16  -1.048  -5.938 -12.060
 1363    H    ILE  17           HN       ILE  17  -1.612  -4.004  -7.619
 1364    HA   ILE  17           HA       ILE  17   0.348  -2.056  -7.050
 1365    HB   ILE  17           HB       ILE  17  -2.478  -2.440  -6.393
 1366   HG12  ILE  17          HG12      ILE  17  -0.979   0.136  -6.753
 1367   HG13  ILE  17          HG11      ILE  17  -1.292  -0.914  -8.128
 1368   HG21  ILE  17          HG21      ILE  17  -0.738  -0.780  -4.572
 1369   HG22  ILE  17          HG22      ILE  17  -1.621  -2.239  -4.114
 1370   HG23  ILE  17          HG23      ILE  17  -2.503  -0.786  -4.585
 1371   HD11  ILE  17          HD11      ILE  17  -2.918   0.932  -7.838
 1372   HD12  ILE  17          HD12      ILE  17  -3.423   0.191  -6.317
 1373   HD13  ILE  17          HD13      ILE  17  -3.652  -0.675  -7.837
 1374    H    LEU  18           HN       LEU  18  -0.985  -4.719  -5.089
 1375    HA   LEU  18           HA       LEU  18   0.480  -3.981  -2.732
 1376    HB2  LEU  18           HB2      LEU  18  -1.734  -5.543  -3.329
 1377    HB3  LEU  18           HB1      LEU  18  -0.503  -6.694  -2.860
 1378    HG   LEU  18           HG       LEU  18  -0.145  -5.256  -0.797
 1379   HD11  LEU  18          HD11      LEU  18  -2.837  -4.178  -1.570
 1380   HD12  LEU  18          HD12      LEU  18  -1.326  -3.280  -1.692
 1381   HD13  LEU  18          HD13      LEU  18  -1.919  -3.803  -0.115
 1382   HD21  LEU  18          HD21      LEU  18  -1.280  -7.410  -0.705
 1383   HD22  LEU  18          HD22      LEU  18  -2.803  -6.632  -1.135
 1384   HD23  LEU  18          HD23      LEU  18  -2.023  -6.253   0.402
 1385    H    MET  19           HN       MET  19   0.936  -6.200  -5.439
 1386    HA   MET  19           HA       MET  19   3.026  -7.711  -4.260
 1387    HB2  MET  19           HB2      MET  19   1.602  -8.161  -6.448
 1388    HB3  MET  19           HB1      MET  19   2.908  -7.290  -7.231
 1389    HG2  MET  19           HG2      MET  19   3.109  -9.851  -5.668
 1390    HG3  MET  19           HG1      MET  19   3.300  -9.635  -7.403
 1391    HE1  MET  19           HE1      MET  19   5.115 -10.981  -5.026
 1392    HE2  MET  19           HE2      MET  19   6.771 -10.574  -5.484
 1393    HE3  MET  19           HE3      MET  19   5.653 -11.208  -6.692
 1394    H    LYS  20           HN       LYS  20   3.084  -5.008  -6.556
 1395    HA   LYS  20           HA       LYS  20   5.850  -4.571  -6.681
 1396    HB2  LYS  20           HB2      LYS  20   3.862  -3.458  -7.946
 1397    HB3  LYS  20           HB1      LYS  20   3.861  -2.334  -6.596
 1398    HG2  LYS  20           HG2      LYS  20   6.347  -2.900  -8.172
 1399    HG3  LYS  20           HG1      LYS  20   5.173  -1.687  -8.682
 1400    HD2  LYS  20           HD2      LYS  20   5.424  -0.632  -6.418
 1401    HD3  LYS  20           HD1      LYS  20   6.756  -1.750  -6.118
 1402    HE2  LYS  20           HE2      LYS  20   6.626   0.203  -8.410
 1403    HE3  LYS  20           HE1      LYS  20   7.503   0.475  -6.905
 1404    HZ1  LYS  20           HZ1      LYS  20   8.890  -1.426  -7.391
 1405    HZ2  LYS  20           HZ2      LYS  20   8.945  -0.337  -8.684
 1406    HZ3  LYS  20           HZ3      LYS  20   8.021  -1.748  -8.806
 1407    H    LEU  21           HN       LEU  21   3.377  -3.639  -4.425
 1408    HA   LEU  21           HA       LEU  21   4.990  -1.956  -2.831
 1409    HB2  LEU  21           HB2      LEU  21   2.398  -2.192  -3.114
 1410    HB3  LEU  21           HB1      LEU  21   2.552  -3.386  -1.844
 1411    HG   LEU  21           HG       LEU  21   3.616  -1.605  -0.436
 1412   HD11  LEU  21          HD11      LEU  21   3.337   0.695  -1.092
 1413   HD12  LEU  21          HD12      LEU  21   2.526   0.215  -2.580
 1414   HD13  LEU  21          HD13      LEU  21   4.237  -0.145  -2.352
 1415   HD21  LEU  21          HD21      LEU  21   0.951  -0.572  -1.095
 1416   HD22  LEU  21          HD22      LEU  21   1.580  -1.211   0.425
 1417   HD23  LEU  21          HD23      LEU  21   1.029  -2.314  -0.834
 1418    H    LYS  22           HN       LYS  22   4.191  -5.370  -2.675
 1419    HA   LYS  22           HA       LYS  22   5.130  -5.919  -0.109
 1420    HB2  LYS  22           HB2      LYS  22   3.945  -7.659  -1.132
 1421    HB3  LYS  22           HB1      LYS  22   4.856  -7.529  -2.629
 1422    HG2  LYS  22           HG2      LYS  22   6.530  -8.267  -0.374
 1423    HG3  LYS  22           HG1      LYS  22   5.215  -9.410  -0.653
 1424    HD2  LYS  22           HD2      LYS  22   6.281  -8.735  -3.181
 1425    HD3  LYS  22           HD1      LYS  22   7.647  -9.075  -2.117
 1426    HE2  LYS  22           HE2      LYS  22   6.734 -11.059  -3.353
 1427    HE3  LYS  22           HE1      LYS  22   6.814 -11.242  -1.602
 1428    HZ1  LYS  22           HZ1      LYS  22   4.411 -10.634  -3.226
 1429    HZ2  LYS  22           HZ2      LYS  22   4.436 -10.639  -1.535
 1430    HZ3  LYS  22           HZ3      LYS  22   4.734 -12.068  -2.391
 1431    H    GLU  23           HN       GLU  23   6.747  -5.617  -3.201
 1432    HA   GLU  23           HA       GLU  23   9.323  -6.413  -2.316
 1433    HB2  GLU  23           HB2      GLU  23   8.453  -4.696  -4.648
 1434    HB3  GLU  23           HB1      GLU  23  10.112  -5.211  -4.377
 1435    HG2  GLU  23           HG2      GLU  23   9.479  -7.524  -4.630
 1436    HG3  GLU  23           HG1      GLU  23   7.785  -7.074  -4.771
 1437    H    SER  24           HN       SER  24   7.794  -3.194  -2.622
 1438    HA   SER  24           HA       SER  24  10.042  -1.774  -1.824
 1439    HB2  SER  24           HB2      SER  24   8.624   0.111  -1.477
 1440    HB3  SER  24           HB1      SER  24   7.884  -0.823  -2.776
 1441    HG   SER  24           HG       SER  24   7.135  -0.923  -0.039
 1442    H    LEU  25           HN       LEU  25   7.422  -3.098   0.205
 1443    HA   LEU  25           HA       LEU  25   8.398  -2.111   2.679
 1444    HB2  LEU  25           HB2      LEU  25   6.508  -4.260   1.843
 1445    HB3  LEU  25           HB1      LEU  25   7.073  -4.227   3.502
 1446    HG   LEU  25           HG       LEU  25   5.691  -1.915   2.138
 1447   HD11  LEU  25          HD11      LEU  25   4.246  -3.913   2.401
 1448   HD12  LEU  25          HD12      LEU  25   3.717  -2.529   3.355
 1449   HD13  LEU  25          HD13      LEU  25   4.560  -3.867   4.134
 1450   HD21  LEU  25          HD21      LEU  25   5.515  -0.981   4.352
 1451   HD22  LEU  25          HD22      LEU  25   7.209  -1.334   4.010
 1452   HD23  LEU  25          HD23      LEU  25   6.278  -2.407   5.055
 1453    H    GLU  26           HN       GLU  26   8.888  -5.221   1.039
 1454    HA   GLU  26           HA       GLU  26  10.471  -6.346   3.108
 1455    HB2  GLU  26           HB2      GLU  26  10.123  -7.037   0.199
 1456    HB3  GLU  26           HB1      GLU  26  11.201  -7.940   1.255
 1457    HG2  GLU  26           HG2      GLU  26   9.190  -8.274   2.768
 1458    HG3  GLU  26           HG1      GLU  26   8.218  -7.681   1.422
 1459    H    LEU  27           HN       LEU  27  11.272  -4.644   0.115
 1460    HA   LEU  27           HA       LEU  27  14.091  -4.927   0.292
 1461    HB2  LEU  27           HB2      LEU  27  12.255  -3.087  -1.194
 1462    HB3  LEU  27           HB1      LEU  27  13.989  -2.827  -1.211
 1463    HG   LEU  27           HG       LEU  27  12.726  -5.435  -2.044
 1464   HD11  LEU  27          HD11      LEU  27  13.563  -3.134  -3.801
 1465   HD12  LEU  27          HD12      LEU  27  11.901  -3.637  -3.485
 1466   HD13  LEU  27          HD13      LEU  27  12.999  -4.714  -4.346
 1467   HD21  LEU  27          HD21      LEU  27  15.452  -4.235  -2.514
 1468   HD22  LEU  27          HD22      LEU  27  14.882  -5.774  -3.160
 1469   HD23  LEU  27          HD23      LEU  27  15.071  -5.564  -1.419
 1470    H    MET  28           HN       MET  28  11.883  -2.491   1.666
 1471    HA   MET  28           HA       MET  28  13.835  -0.665   2.260
 1472    HB2  MET  28           HB2      MET  28  11.340  -0.365   2.619
 1473    HB3  MET  28           HB1      MET  28  11.525  -1.249   4.129
 1474    HG2  MET  28           HG2      MET  28  13.388   0.570   4.544
 1475    HG3  MET  28           HG1      MET  28  12.408   1.481   3.405
 1476    HE1  MET  28           HE1      MET  28   9.394   2.572   5.252
 1477    HE2  MET  28           HE2      MET  28   9.402   1.327   4.005
 1478    HE3  MET  28           HE3      MET  28  10.485   2.712   3.871
 1479    H    GLU  29           HN       GLU  29  13.673  -3.826   3.488
 1480    HA   GLU  29           HA       GLU  29  15.050  -3.187   5.971
 1481    HB2  GLU  29           HB2      GLU  29  14.601  -5.336   6.633
 1482    HB3  GLU  29           HB1      GLU  29  13.249  -5.040   5.551
 1483    HG2  GLU  29           HG2      GLU  29  14.550  -6.173   3.745
 1484    HG3  GLU  29           HG1      GLU  29  15.751  -6.601   4.961
 1485    H    LEU  30           HN       LEU  30  15.805  -4.078   2.718
 1486    HA   LEU  30           HA       LEU  30  18.411  -5.146   3.462
 1487    HB2  LEU  30           HB2      LEU  30  18.351  -6.298   1.556
 1488    HB3  LEU  30           HB1      LEU  30  16.658  -5.862   1.513
 1489    HG   LEU  30           HG       LEU  30  18.854  -4.378   0.081
 1490   HD11  LEU  30          HD11      LEU  30  18.009  -5.404  -1.939
 1491   HD12  LEU  30          HD12      LEU  30  16.771  -6.259  -1.015
 1492   HD13  LEU  30          HD13      LEU  30  18.474  -6.657  -0.786
 1493   HD21  LEU  30          HD21      LEU  30  15.866  -4.089   0.037
 1494   HD22  LEU  30          HD22      LEU  30  16.941  -3.366  -1.153
 1495   HD23  LEU  30          HD23      LEU  30  17.050  -2.884   0.539
 1496    H    VAL  31           HN       VAL  31  17.229  -2.199   3.246
 1497    HA   VAL  31           HA       VAL  31  19.546  -1.066   1.845
 1498    HB   VAL  31           HB       VAL  31  17.553  -0.046   1.059
 1499   HG11  VAL  31          HG11      VAL  31  16.795   0.405   3.940
 1500   HG12  VAL  31          HG12      VAL  31  16.032  -0.718   2.815
 1501   HG13  VAL  31          HG13      VAL  31  15.911   1.020   2.543
 1502   HG21  VAL  31          HG21      VAL  31  17.775   2.322   2.097
 1503   HG22  VAL  31          HG22      VAL  31  19.131   1.636   1.206
 1504   HG23  VAL  31          HG23      VAL  31  19.136   1.624   2.969
 1505    HA   PRO  32           HA       PRO  32  21.713  -0.662   5.705
 1506    HB2  PRO  32           HB2      PRO  32  22.583   1.860   4.328
 1507    HB3  PRO  32           HB1      PRO  32  23.552   0.692   5.236
 1508    HG2  PRO  32           HG2      PRO  32  23.510   0.672   2.561
 1509    HG3  PRO  32           HG1      PRO  32  23.596  -0.829   3.497
 1510    HD2  PRO  32           HD2      PRO  32  21.348   0.286   1.935
 1511    HD3  PRO  32           HD1      PRO  32  21.675  -1.396   2.400
 1512    H    GLN  33           HN       GLN  33  20.939   0.127   7.569
 1513    HA   GLN  33           HA       GLN  33  18.756   1.789   7.806
 1514    HB2  GLN  33           HB2      GLN  33  19.543   0.301   9.589
 1515    HB3  GLN  33           HB1      GLN  33  20.927   1.350   9.859
 1516    HG2  GLN  33           HG2      GLN  33  19.462   3.152  10.549
 1517    HG3  GLN  33           HG1      GLN  33  18.048   2.155  10.212
 1518   HE21  GLN  33          HE21      GLN  33  19.329  -0.262  11.247
 1519   HE22  GLN  33          HE22      GLN  33  19.311  -0.110  12.967
 1520    HA   PRO  34           HA       PRO  34  21.887   5.464   8.848
 1521    HB2  PRO  34           HB2      PRO  34  23.951   4.734   6.832
 1522    HB3  PRO  34           HB1      PRO  34  24.143   5.481   8.422
 1523    HG2  PRO  34           HG2      PRO  34  24.774   2.926   8.048
 1524    HG3  PRO  34           HG1      PRO  34  23.973   3.454   9.540
 1525    HD2  PRO  34           HD2      PRO  34  22.825   2.042   7.167
 1526    HD3  PRO  34           HD1      PRO  34  22.476   1.816   8.893
 1527    H    LEU  35           HN       LEU  35  21.532   3.981   5.660
 1528    HA   LEU  35           HA       LEU  35  21.479   6.480   4.252
 1529    HB2  LEU  35           HB2      LEU  35  22.331   4.408   3.236
 1530    HB3  LEU  35           HB1      LEU  35  20.750   3.674   3.397
 1531    HG   LEU  35           HG       LEU  35  19.829   5.222   1.782
 1532   HD11  LEU  35          HD11      LEU  35  22.602   6.376   1.621
 1533   HD12  LEU  35          HD12      LEU  35  21.168   7.183   2.258
 1534   HD13  LEU  35          HD13      LEU  35  21.261   6.772   0.545
 1535   HD21  LEU  35          HD21      LEU  35  22.375   3.941   0.818
 1536   HD22  LEU  35          HD22      LEU  35  21.031   4.457  -0.202
 1537   HD23  LEU  35          HD23      LEU  35  20.804   3.153   0.964
 1538    H    VAL  36           HN       VAL  36  19.172   4.291   5.683
 1539    HA   VAL  36           HA       VAL  36  16.847   5.472   4.448
 1540    HB   VAL  36           HB       VAL  36  17.127   3.664   6.864
 1541   HG11  VAL  36          HG11      VAL  36  14.669   3.421   6.756
 1542   HG12  VAL  36          HG12      VAL  36  14.618   4.709   5.552
 1543   HG13  VAL  36          HG13      VAL  36  15.173   5.055   7.189
 1544   HG21  VAL  36          HG21      VAL  36  16.059   3.154   4.088
 1545   HG22  VAL  36          HG22      VAL  36  16.117   1.982   5.405
 1546   HG23  VAL  36          HG23      VAL  36  17.615   2.608   4.716
 1547    H    ASP  37           HN       ASP  37  18.623   5.906   7.465
 1548    HA   ASP  37           HA       ASP  37  16.836   7.661   8.723
 1549    HB2  ASP  37           HB2      ASP  37  18.783   6.679   9.872
 1550    HB3  ASP  37           HB1      ASP  37  19.864   7.624   8.854
 1551    H    SER  38           HN       SER  38  19.509   8.255   6.429
 1552    HA   SER  38           HA       SER  38  19.340  11.036   6.387
 1553    HB2  SER  38           HB2      SER  38  21.192   9.820   5.352
 1554    HB3  SER  38           HB1      SER  38  20.098   9.152   4.140
 1555    HG   SER  38           HG       SER  38  20.090  11.907   4.365
 1556    H    TYR  39           HN       TYR  39  17.609   8.629   4.422
 1557    HA   TYR  39           HA       TYR  39  16.225  10.442   2.790
 1558    HB2  TYR  39           HB2      TYR  39  16.104   8.259   2.017
 1559    HB3  TYR  39           HB1      TYR  39  15.774   7.601   3.618
 1560    HD1  TYR  39           HD2      TYR  39  14.268   9.497   0.813
 1561    HD2  TYR  39           HD1      TYR  39  13.559   7.263   4.361
 1562    HE1  TYR  39           HE2      TYR  39  11.867   9.467   0.309
 1563    HE2  TYR  39           HE1      TYR  39  11.167   7.231   3.874
 1564    HH   TYR  39           HH       TYR  39   9.526   8.563   2.576
 1565    H    ARG  40           HN       ARG  40  15.330   8.930   5.867
 1566    HA   ARG  40           HA       ARG  40  12.751   9.935   6.109
 1567    HB2  ARG  40           HB2      ARG  40  14.816   9.189   8.170
 1568    HB3  ARG  40           HB1      ARG  40  13.201   9.722   8.620
 1569    HG2  ARG  40           HG2      ARG  40  12.229   7.874   7.376
 1570    HG3  ARG  40           HG1      ARG  40  13.841   7.346   6.888
 1571    HD2  ARG  40           HD2      ARG  40  14.431   6.964   9.223
 1572    HD3  ARG  40           HD1      ARG  40  12.837   7.523   9.726
 1573    HE   ARG  40           HE       ARG  40  12.442   5.438   7.935
 1574   HH11  ARG  40          HH11      ARG  40  13.878   5.921  11.074
 1575   HH12  ARG  40          HH12      ARG  40  13.544   4.310  11.616
 1576   HH21  ARG  40          HH21      ARG  40  11.997   3.317   8.642
 1577   HH22  ARG  40          HH22      ARG  40  12.475   2.830  10.234
 1578    H    GLN  41           HN       GLN  41  15.840  11.430   6.780
 1579    HA   GLN  41           HA       GLN  41  14.866  13.753   8.104
 1580    HB2  GLN  41           HB2      GLN  41  17.245  13.061   8.132
 1581    HB3  GLN  41           HB1      GLN  41  17.356  13.421   6.415
 1582    HG2  GLN  41           HG2      GLN  41  16.804  15.773   6.907
 1583    HG3  GLN  41           HG1      GLN  41  16.806  15.384   8.627
 1584   HE21  GLN  41          HE21      GLN  41  18.487  16.805   9.062
 1585   HE22  GLN  41          HE22      GLN  41  20.116  16.483   8.589
 1586    H    GLN  42           HN       GLN  42  15.605  13.057   4.701
 1587    HA   GLN  42           HA       GLN  42  14.984  15.594   3.682
 1588    HB2  GLN  42           HB2      GLN  42  16.149  13.746   2.444
 1589    HB3  GLN  42           HB1      GLN  42  14.590  12.951   2.269
 1590    HG2  GLN  42           HG2      GLN  42  15.085  14.121   0.249
 1591    HG3  GLN  42           HG1      GLN  42  13.758  14.945   1.067
 1592   HE21  GLN  42          HE21      GLN  42  17.108  15.101   0.157
 1593   HE22  GLN  42          HE22      GLN  42  17.326  16.786   0.471
 1594    H    GLN  43           HN       GLN  43  12.987  12.856   4.527
 1595    HA   GLN  43           HA       GLN  43  10.585  13.970   3.380
 1596    HB2  GLN  43           HB2      GLN  43  10.748  11.587   3.397
 1597    HB3  GLN  43           HB1      GLN  43  11.143  11.560   5.109
 1598    HG2  GLN  43           HG2      GLN  43   8.533  12.721   4.324
 1599    HG3  GLN  43           HG1      GLN  43   8.729  10.974   4.191
 1600   HE21  GLN  43          HE21      GLN  43   9.111   9.760   6.059
 1601   HE22  GLN  43          HE22      GLN  43   8.754  10.376   7.634
 1602    H    GLN  44           HN       GLN  44  12.210  13.907   6.444
 1603    HA   GLN  44           HA       GLN  44  10.044  14.709   8.082
 1604    HB2  GLN  44           HB2      GLN  44  12.511  13.811   8.623
 1605    HB3  GLN  44           HB1      GLN  44  12.807  15.534   8.804
 1606    HG2  GLN  44           HG2      GLN  44  12.267  14.514  10.933
 1607    HG3  GLN  44           HG1      GLN  44  11.026  15.675  10.460
 1608   HE21  GLN  44          HE21      GLN  44   8.992  14.918   9.820
 1609   HE22  GLN  44          HE22      GLN  44   8.455  13.320  10.197
 1610    H    LEU  45           HN       LEU  45  12.064  16.339   5.855
 1611    HA   LEU  45           HA       LEU  45  12.105  18.945   6.789
 1612    HB2  LEU  45           HB2      LEU  45  13.372  18.485   4.873
 1613    HB3  LEU  45           HB1      LEU  45  12.016  17.753   4.039
 1614    HG   LEU  45           HG       LEU  45  10.988  20.103   4.006
 1615   HD11  LEU  45          HD11      LEU  45  13.853  20.830   4.594
 1616   HD12  LEU  45          HD12      LEU  45  12.474  21.109   5.657
 1617   HD13  LEU  45          HD13      LEU  45  12.577  21.947   4.109
 1618   HD21  LEU  45          HD21      LEU  45  12.278  20.712   2.002
 1619   HD22  LEU  45          HD22      LEU  45  11.827  19.006   2.018
 1620   HD23  LEU  45          HD23      LEU  45  13.477  19.488   2.419
 1621    H    LEU  46           HN       LEU  46   9.614  17.371   4.780
 1622    HA   LEU  46           HA       LEU  46   7.573  18.992   5.977
 1623    HB2  LEU  46           HB2      LEU  46   6.774  20.017   3.899
 1624    HB3  LEU  46           HB1      LEU  46   8.366  20.588   4.355
 1625    HG   LEU  46           HG       LEU  46   9.012  18.558   2.657
 1626   HD11  LEU  46          HD11      LEU  46   6.504  19.834   1.573
 1627   HD12  LEU  46          HD12      LEU  46   6.671  18.154   2.079
 1628   HD13  LEU  46          HD13      LEU  46   7.583  18.752   0.694
 1629   HD21  LEU  46          HD21      LEU  46   9.495  20.309   1.039
 1630   HD22  LEU  46          HD22      LEU  46   9.918  20.836   2.668
 1631   HD23  LEU  46          HD23      LEU  46   8.439  21.423   1.908
 1632    H    GLN  47           HN       GLN  47   5.875  17.736   6.228
 1633    HA   GLN  47           HA       GLN  47   5.544  15.408   4.484
 1634    HB2  GLN  47           HB2      GLN  47   5.656  15.058   6.942
 1635    HB3  GLN  47           HB1      GLN  47   4.201  16.029   7.120
 1636    HG2  GLN  47           HG2      GLN  47   3.953  13.493   7.121
 1637    HG3  GLN  47           HG1      GLN  47   2.856  14.427   6.104
 1638   HE21  GLN  47          HE21      GLN  47   2.442  12.812   4.669
 1639   HE22  GLN  47          HE22      GLN  47   3.619  12.188   3.569
 1640    H    ARG  48           HN       ARG  48   4.854  17.288   2.946
 1641    HA   ARG  48           HA       ARG  48   1.933  17.292   2.945
 1642    HB2  ARG  48           HB2      ARG  48   3.615  19.779   2.597
 1643    HB3  ARG  48           HB1      ARG  48   1.883  19.688   2.307
 1644    HG2  ARG  48           HG2      ARG  48   1.510  19.142   4.646
 1645    HG3  ARG  48           HG1      ARG  48   3.248  19.206   4.942
 1646    HD2  ARG  48           HD2      ARG  48   3.265  21.566   4.278
 1647    HD3  ARG  48           HD1      ARG  48   1.525  21.495   3.999
 1648    HE   ARG  48           HE       ARG  48   1.724  20.708   6.559
 1649   HH11  ARG  48          HH11      ARG  48   3.072  23.423   4.839
 1650   HH12  ARG  48          HH12      ARG  48   3.082  24.460   6.225
 1651   HH21  ARG  48          HH21      ARG  48   1.734  22.067   8.388
 1652   HH22  ARG  48          HH22      ARG  48   2.322  23.690   8.243
  Start of MODEL   18
    1    H    ASP   1           HT1      ASP   1  -7.653 -14.719 -15.722
    2    HA   ASP   1           HA       ASP   1  -6.587 -15.834 -13.888
    3    HB2  ASP   1           HB2      ASP   1  -4.654 -16.685 -15.175
    4    HB3  ASP   1           HB1      ASP   1  -4.015 -15.048 -15.281
    5    H    GLU   2           HN       GLU   2  -7.477 -14.288 -12.646
    6    HA   GLU   2           HA       GLU   2  -5.883 -12.041 -11.881
    7    HB2  GLU   2           HB2      GLU   2  -7.478 -10.285 -12.498
    8    HB3  GLU   2           HB1      GLU   2  -6.863 -11.112 -13.922
    9    HG2  GLU   2           HG2      GLU   2  -8.916 -12.415 -14.064
   10    HG3  GLU   2           HG1      GLU   2  -9.533 -11.609 -12.623
   11    H    ASP   3           HN       ASP   3  -7.468 -14.434 -10.885
   12    HA   ASP   3           HA       ASP   3  -9.463 -13.242  -9.171
   13    HB2  ASP   3           HB2      ASP   3  -9.724 -15.542  -8.279
   14    HB3  ASP   3           HB1      ASP   3  -9.864 -15.480 -10.032
   15    H    THR   4           HN       THR   4  -8.667 -15.186  -6.943
   16    HA   THR   4           HA       THR   4  -7.146 -13.291  -5.467
   17    HB   THR   4           HB       THR   4  -7.248 -15.973  -4.331
   18    HG1  THR   4           HG1      THR   4  -9.666 -15.429  -3.955
   19   HG21  THR   4          HG21      THR   4  -6.695 -14.046  -2.977
   20   HG22  THR   4          HG22      THR   4  -8.234 -14.715  -2.432
   21   HG23  THR   4          HG23      THR   4  -8.209 -13.260  -3.431
   22    H    TYR   5           HN       TYR   5  -5.118 -13.381  -4.733
   23    HA   TYR   5           HA       TYR   5  -3.292 -15.251  -6.087
   24    HB2  TYR   5           HB2      TYR   5  -3.095 -12.292  -5.707
   25    HB3  TYR   5           HB1      TYR   5  -1.693 -13.296  -6.066
   26    HD1  TYR   5           HD1      TYR   5  -1.722 -14.682  -8.188
   27    HD2  TYR   5           HD2      TYR   5  -4.534 -11.586  -7.421
   28    HE1  TYR   5           HE1      TYR   5  -2.239 -14.567 -10.587
   29    HE2  TYR   5           HE2      TYR   5  -5.059 -11.459  -9.819
   30    HH   TYR   5           HH       TYR   5  -4.211 -12.051 -11.927
   31    H    TYR   6           HN       TYR   6  -1.166 -15.475  -4.828
   32    HA   TYR   6           HA       TYR   6  -1.583 -14.776  -2.005
   33    HB2  TYR   6           HB2      TYR   6   0.309 -16.919  -2.999
   34    HB3  TYR   6           HB1      TYR   6  -0.288 -16.682  -1.362
   35    HD1  TYR   6           HD2      TYR   6  -3.206 -16.258  -2.043
   36    HD2  TYR   6           HD1      TYR   6  -0.392 -19.155  -3.377
   37    HE1  TYR   6           HE2      TYR   6  -5.042 -17.827  -2.461
   38    HE2  TYR   6           HE1      TYR   6  -2.223 -20.739  -3.809
   39    HH   TYR   6           HH       TYR   6  -5.486 -19.811  -3.855
   40    H    LEU   7           HN       LEU   7  -0.302 -13.421  -1.070
   41    HA   LEU   7           HA       LEU   7   2.088 -12.455  -2.513
   42    HB2  LEU   7           HB2      LEU   7  -0.196 -11.160  -1.712
   43    HB3  LEU   7           HB1      LEU   7   0.882 -10.855  -0.380
   44    HG   LEU   7           HG       LEU   7   2.152  -9.396  -1.560
   45   HD11  LEU   7          HD11      LEU   7   1.681  -9.598  -4.277
   46   HD12  LEU   7          HD12      LEU   7   1.906 -11.261  -3.724
   47   HD13  LEU   7          HD13      LEU   7   3.148 -10.054  -3.411
   48   HD21  LEU   7          HD21      LEU   7  -0.201  -8.682  -1.470
   49   HD22  LEU   7          HD22      LEU   7  -0.404  -9.281  -3.117
   50   HD23  LEU   7          HD23      LEU   7   0.712  -7.953  -2.793
   51    H    GLN   8           HN       GLN   8   3.830 -13.493  -1.564
   52    HA   GLN   8           HA       GLN   8   3.827 -13.971   1.226
   53    HB2  GLN   8           HB2      GLN   8   5.071 -15.137  -0.851
   54    HB3  GLN   8           HB1      GLN   8   6.369 -14.106  -0.276
   55    HG2  GLN   8           HG2      GLN   8   5.769 -15.144   2.037
   56    HG3  GLN   8           HG1      GLN   8   5.060 -16.414   1.040
   57   HE21  GLN   8          HE21      GLN   8   6.542 -17.953   1.616
   58   HE22  GLN   8          HE22      GLN   8   8.191 -17.903   1.113
   59    H    VAL   9           HN       VAL   9   4.155 -12.507   2.696
   60    HA   VAL   9           HA       VAL   9   5.982 -10.323   2.046
   61    HB   VAL   9           HB       VAL   9   3.372 -10.253   3.529
   62   HG11  VAL   9          HG11      VAL   9   3.964  -7.902   4.197
   63   HG12  VAL   9          HG12      VAL   9   5.639  -8.304   3.816
   64   HG13  VAL   9          HG13      VAL   9   4.788  -9.182   5.086
   65   HG21  VAL   9          HG21      VAL   9   2.939  -8.351   2.069
   66   HG22  VAL   9          HG22      VAL   9   3.380  -9.784   1.140
   67   HG23  VAL   9          HG23      VAL   9   4.560  -8.497   1.389
   68    H    ARG  10           HN       ARG  10   7.672 -10.012   3.384
   69    HA   ARG  10           HA       ARG  10   7.804 -11.774   5.730
   70    HB2  ARG  10           HB2      ARG  10   9.588 -11.802   3.849
   71    HB3  ARG  10           HB1      ARG  10  10.144 -10.287   4.544
   72    HG2  ARG  10           HG2      ARG  10   9.832 -12.702   6.273
   73    HG3  ARG  10           HG1      ARG  10  11.257 -12.514   5.250
   74    HD2  ARG  10           HD2      ARG  10  11.706 -10.340   6.305
   75    HD3  ARG  10           HD1      ARG  10  10.303 -10.566   7.347
   76    HE   ARG  10           HE       ARG  10  11.932 -12.782   7.693
   77   HH11  ARG  10          HH11      ARG  10  12.106  -9.340   8.211
   78   HH12  ARG  10          HH12      ARG  10  13.198  -9.467   9.549
   79   HH21  ARG  10          HH21      ARG  10  13.367 -12.958   9.455
   80   HH22  ARG  10          HH22      ARG  10  13.915 -11.524  10.257
   81    H    GLY  11           HN       GLY  11   8.153 -11.042   7.737
   82    HA2  GLY  11           HA2      GLY  11   8.635  -9.438   9.399
   83    HA3  GLY  11           HA1      GLY  11   8.651  -8.190   8.160
   84    H    ARG  12           HN       ARG  12   7.049  -9.135  10.797
   85    HA   ARG  12           HA       ARG  12   4.350  -9.167  10.191
   86    HB2  ARG  12           HB2      ARG  12   5.536  -9.504  12.455
   87    HB3  ARG  12           HB1      ARG  12   5.407  -7.758  12.628
   88    HG2  ARG  12           HG2      ARG  12   3.560  -8.685  13.759
   89    HG3  ARG  12           HG1      ARG  12   2.937  -8.014  12.250
   90    HD2  ARG  12           HD2      ARG  12   3.060 -10.282  11.252
   91    HD3  ARG  12           HD1      ARG  12   3.537 -10.910  12.829
   92    HE   ARG  12           HE       ARG  12   0.993  -9.471  12.549
   93   HH11  ARG  12          HH11      ARG  12   2.746 -12.406  13.227
   94   HH12  ARG  12          HH12      ARG  12   1.364 -13.235  13.861
   95   HH21  ARG  12          HH21      ARG  12  -0.828 -10.554  13.386
   96   HH22  ARG  12          HH22      ARG  12  -0.667 -12.183  13.952
   97    H    GLU  13           HN       GLU  13   6.320  -6.237  10.837
   98    HA   GLU  13           HA       GLU  13   4.280  -4.401  10.747
   99    HB2  GLU  13           HB2      GLU  13   6.715  -3.989  11.277
  100    HB3  GLU  13           HB1      GLU  13   7.006  -3.937   9.542
  101    HG2  GLU  13           HG2      GLU  13   6.801  -1.707  10.233
  102    HG3  GLU  13           HG1      GLU  13   5.284  -2.110   9.431
  103    H    ASN  14           HN       ASN  14   6.132  -5.696   8.016
  104    HA   ASN  14           HA       ASN  14   4.912  -4.150   5.980
  105    HB2  ASN  14           HB2      ASN  14   7.055  -5.303   5.675
  106    HB3  ASN  14           HB1      ASN  14   6.266  -6.860   5.885
  107   HD21  ASN  14          HD21      ASN  14   7.781  -6.376   3.693
  108   HD22  ASN  14          HD22      ASN  14   6.779  -6.266   2.290
  109    H    PHE  15           HN       PHE  15   4.316  -7.410   7.215
  110    HA   PHE  15           HA       PHE  15   2.271  -8.163   5.483
  111    HB2  PHE  15           HB2      PHE  15   3.472  -9.689   7.022
  112    HB3  PHE  15           HB1      PHE  15   2.593  -8.979   8.374
  113    HD1  PHE  15           HD1      PHE  15   1.409  -9.963   4.974
  114    HD2  PHE  15           HD2      PHE  15   1.213 -10.644   9.180
  115    HE1  PHE  15           HE1      PHE  15  -0.400 -11.573   4.624
  116    HE2  PHE  15           HE2      PHE  15  -0.629 -12.254   8.819
  117    HZ   PHE  15           HZ       PHE  15  -1.427 -12.711   6.531
  118    H    GLU  16           HN       GLU  16   2.036  -6.563   8.665
  119    HA   GLU  16           HA       GLU  16  -0.797  -6.427   8.767
  120    HB2  GLU  16           HB2      GLU  16   1.308  -4.683  10.054
  121    HB3  GLU  16           HB1      GLU  16  -0.406  -4.631  10.441
  122    HG2  GLU  16           HG2      GLU  16  -0.292  -6.983  11.152
  123    HG3  GLU  16           HG1      GLU  16   1.440  -6.975  10.827
  124    H    ILE  17           HN       ILE  17   1.574  -4.011   7.597
  125    HA   ILE  17           HA       ILE  17  -0.381  -2.064   7.006
  126    HB   ILE  17           HB       ILE  17   2.453  -2.456   6.357
  127   HG12  ILE  17          HG12      ILE  17   0.973   0.128   6.736
  128   HG13  ILE  17          HG11      ILE  17   1.270  -0.935   8.104
  129   HG21  ILE  17          HG21      ILE  17   0.706  -0.793   4.544
  130   HG22  ILE  17          HG22      ILE  17   1.610  -2.239   4.083
  131   HG23  ILE  17          HG23      ILE  17   2.470  -0.777   4.564
  132   HD11  ILE  17          HD11      ILE  17   3.649  -0.740   7.774
  133   HD12  ILE  17          HD12      ILE  17   2.923   0.869   7.881
  134   HD13  ILE  17          HD13      ILE  17   3.394   0.214   6.311
  135    H    LEU  18           HN       LEU  18   0.965  -4.740   5.064
  136    HA   LEU  18           HA       LEU  18  -0.481  -4.005   2.692
  137    HB2  LEU  18           HB2      LEU  18   1.715  -5.612   3.351
  138    HB3  LEU  18           HB1      LEU  18   0.484  -6.703   2.757
  139    HG   LEU  18           HG       LEU  18   0.277  -5.123   0.759
  140   HD11  LEU  18          HD11      LEU  18   1.453  -3.231   1.691
  141   HD12  LEU  18          HD12      LEU  18   2.292  -3.823   0.255
  142   HD13  LEU  18          HD13      LEU  18   2.916  -4.200   1.860
  143   HD21  LEU  18          HD21      LEU  18   2.866  -6.620   1.113
  144   HD22  LEU  18          HD22      LEU  18   2.098  -6.192  -0.416
  145   HD23  LEU  18          HD23      LEU  18   1.324  -7.351   0.667
  146    H    MET  19           HN       MET  19  -1.001  -6.161   5.427
  147    HA   MET  19           HA       MET  19  -3.063  -7.701   4.209
  148    HB2  MET  19           HB2      MET  19  -1.646  -8.138   6.412
  149    HB3  MET  19           HB1      MET  19  -2.980  -7.299   7.181
  150    HG2  MET  19           HG2      MET  19  -3.078  -9.864   5.622
  151    HG3  MET  19           HG1      MET  19  -3.360  -9.629   7.342
  152    HE1  MET  19           HE1      MET  19  -5.713 -11.213   6.678
  153    HE2  MET  19           HE2      MET  19  -5.005 -11.128   5.064
  154    HE3  MET  19           HE3      MET  19  -6.697 -10.699   5.309
  155    H    LYS  20           HN       LYS  20  -3.136  -5.009   6.523
  156    HA   LYS  20           HA       LYS  20  -5.913  -4.571   6.633
  157    HB2  LYS  20           HB2      LYS  20  -3.951  -3.491   7.953
  158    HB3  LYS  20           HB1      LYS  20  -3.881  -2.360   6.611
  159    HG2  LYS  20           HG2      LYS  20  -6.425  -2.872   8.114
  160    HG3  LYS  20           HG1      LYS  20  -5.236  -1.690   8.660
  161    HD2  LYS  20           HD2      LYS  20  -5.399  -0.637   6.378
  162    HD3  LYS  20           HD1      LYS  20  -6.768  -1.704   6.067
  163    HE2  LYS  20           HE2      LYS  20  -6.574   0.304   8.307
  164    HE3  LYS  20           HE1      LYS  20  -7.493   0.512   6.818
  165    HZ1  LYS  20           HZ1      LYS  20  -8.935  -0.194   8.596
  166    HZ2  LYS  20           HZ2      LYS  20  -7.973  -1.551   8.899
  167    HZ3  LYS  20           HZ3      LYS  20  -8.825  -1.429   7.444
  168    H    LEU  21           HN       LEU  21  -3.408  -3.619   4.423
  169    HA   LEU  21           HA       LEU  21  -4.997  -1.921   2.821
  170    HB2  LEU  21           HB2      LEU  21  -2.427  -2.128   3.140
  171    HB3  LEU  21           HB1      LEU  21  -2.530  -3.361   1.901
  172    HG   LEU  21           HG       LEU  21  -3.596  -1.608   0.433
  173   HD11  LEU  21          HD11      LEU  21  -2.393   0.326   2.390
  174   HD12  LEU  21          HD12      LEU  21  -4.091  -0.141   2.474
  175   HD13  LEU  21          HD13      LEU  21  -3.467   0.656   1.033
  176   HD21  LEU  21          HD21      LEU  21  -1.535  -1.144  -0.407
  177   HD22  LEU  21          HD22      LEU  21  -1.071  -2.399   0.739
  178   HD23  LEU  21          HD23      LEU  21  -0.875  -0.699   1.165
  179    H    LYS  22           HN       LYS  22  -4.092  -5.312   2.552
  180    HA   LYS  22           HA       LYS  22  -5.088  -5.844   0.004
  181    HB2  LYS  22           HB2      LYS  22  -3.858  -7.593   0.925
  182    HB3  LYS  22           HB1      LYS  22  -4.649  -7.463   2.487
  183    HG2  LYS  22           HG2      LYS  22  -6.450  -8.260   0.334
  184    HG3  LYS  22           HG1      LYS  22  -5.124  -9.390   0.613
  185    HD2  LYS  22           HD2      LYS  22  -6.020  -8.692   3.159
  186    HD3  LYS  22           HD1      LYS  22  -7.489  -8.894   2.201
  187    HE2  LYS  22           HE2      LYS  22  -6.802 -10.989   3.273
  188    HE3  LYS  22           HE1      LYS  22  -6.763 -11.111   1.517
  189    HZ1  LYS  22           HZ1      LYS  22  -4.459 -10.790   3.352
  190    HZ2  LYS  22           HZ2      LYS  22  -4.336 -10.641   1.672
  191    HZ3  LYS  22           HZ3      LYS  22  -4.807 -12.114   2.357
  192    H    GLU  23           HN       GLU  23  -6.585  -5.614   3.129
  193    HA   GLU  23           HA       GLU  23  -9.198  -6.445   2.399
  194    HB2  GLU  23           HB2      GLU  23  -8.333  -6.407   4.725
  195    HB3  GLU  23           HB1      GLU  23  -8.266  -4.655   4.657
  196    HG2  GLU  23           HG2      GLU  23 -10.413  -4.443   5.135
  197    HG3  GLU  23           HG1      GLU  23 -10.890  -5.706   4.004
  198    H    SER  24           HN       SER  24  -7.695  -3.213   2.626
  199    HA   SER  24           HA       SER  24 -10.001  -1.793   1.970
  200    HB2  SER  24           HB2      SER  24  -8.608   0.112   1.624
  201    HB3  SER  24           HB1      SER  24  -7.820  -0.849   2.874
  202    HG   SER  24           HG       SER  24  -7.163  -0.935   0.115
  203    H    LEU  25           HN       LEU  25  -7.404  -2.942  -0.197
  204    HA   LEU  25           HA       LEU  25  -8.519  -1.904  -2.602
  205    HB2  LEU  25           HB2      LEU  25  -6.445  -3.907  -1.890
  206    HB3  LEU  25           HB1      LEU  25  -7.120  -3.973  -3.505
  207    HG   LEU  25           HG       LEU  25  -5.910  -1.461  -2.360
  208   HD11  LEU  25          HD11      LEU  25  -4.238  -3.256  -2.372
  209   HD12  LEU  25          HD12      LEU  25  -3.881  -2.016  -3.573
  210   HD13  LEU  25          HD13      LEU  25  -4.581  -3.557  -4.076
  211   HD21  LEU  25          HD21      LEU  25  -6.266  -2.289  -5.232
  212   HD22  LEU  25          HD22      LEU  25  -5.866  -0.692  -4.597
  213   HD23  LEU  25          HD23      LEU  25  -7.479  -1.363  -4.345
  214    H    GLU  26           HN       GLU  26  -8.803  -5.070  -1.036
  215    HA   GLU  26           HA       GLU  26 -10.369  -6.242  -3.083
  216    HB2  GLU  26           HB2      GLU  26  -9.926  -6.915  -0.189
  217    HB3  GLU  26           HB1      GLU  26 -11.063  -7.826  -1.173
  218    HG2  GLU  26           HG2      GLU  26  -9.127  -8.163  -2.795
  219    HG3  GLU  26           HG1      GLU  26  -8.092  -7.590  -1.488
  220    H    LEU  27           HN       LEU  27 -11.224  -4.595  -0.064
  221    HA   LEU  27           HA       LEU  27 -14.041  -4.930  -0.274
  222    HB2  LEU  27           HB2      LEU  27 -12.251  -3.079   1.257
  223    HB3  LEU  27           HB1      LEU  27 -13.991  -2.859   1.262
  224    HG   LEU  27           HG       LEU  27 -12.663  -5.441   2.084
  225   HD11  LEU  27          HD11      LEU  27 -13.619  -3.196   3.850
  226   HD12  LEU  27          HD12      LEU  27 -11.932  -3.615   3.548
  227   HD13  LEU  27          HD13      LEU  27 -12.989  -4.754   4.382
  228   HD21  LEU  27          HD21      LEU  27 -14.825  -5.861   3.168
  229   HD22  LEU  27          HD22      LEU  27 -14.992  -5.654   1.425
  230   HD23  LEU  27          HD23      LEU  27 -15.438  -4.341   2.516
  231    H    MET  28           HN       MET  28 -11.859  -2.469  -1.639
  232    HA   MET  28           HA       MET  28 -13.828  -0.645  -2.203
  233    HB2  MET  28           HB2      MET  28 -11.379  -0.263  -2.579
  234    HB3  MET  28           HB1      MET  28 -11.490  -1.241  -4.038
  235    HG2  MET  28           HG2      MET  28 -13.408   0.488  -4.602
  236    HG3  MET  28           HG1      MET  28 -12.477   1.494  -3.502
  237    HE1  MET  28           HE1      MET  28  -9.393   2.474  -5.314
  238    HE2  MET  28           HE2      MET  28  -9.426   1.249  -4.049
  239    HE3  MET  28           HE3      MET  28 -10.491   2.651  -3.942
  240    H    GLU  29           HN       GLU  29 -13.624  -3.796  -3.477
  241    HA   GLU  29           HA       GLU  29 -15.035  -3.156  -5.940
  242    HB2  GLU  29           HB2      GLU  29 -14.585  -5.303  -6.612
  243    HB3  GLU  29           HB1      GLU  29 -13.214  -4.986  -5.560
  244    HG2  GLU  29           HG2      GLU  29 -14.467  -6.132  -3.725
  245    HG3  GLU  29           HG1      GLU  29 -15.676  -6.589  -4.922
  246    H    LEU  30           HN       LEU  30 -15.750  -4.057  -2.697
  247    HA   LEU  30           HA       LEU  30 -18.365  -5.114  -3.418
  248    HB2  LEU  30           HB2      LEU  30 -18.260  -6.307  -1.548
  249    HB3  LEU  30           HB1      LEU  30 -16.577  -5.841  -1.494
  250    HG   LEU  30           HG       LEU  30 -18.776  -4.374  -0.054
  251   HD11  LEU  30          HD11      LEU  30 -16.786  -6.359   1.036
  252   HD12  LEU  30          HD12      LEU  30 -18.494  -6.694   0.751
  253   HD13  LEU  30          HD13      LEU  30 -18.020  -5.492   1.953
  254   HD21  LEU  30          HD21      LEU  30 -16.878  -2.963  -0.461
  255   HD22  LEU  30          HD22      LEU  30 -15.781  -4.218   0.113
  256   HD23  LEU  30          HD23      LEU  30 -16.890  -3.436   1.237
  257    H    VAL  31           HN       VAL  31 -17.161  -2.184  -3.226
  258    HA   VAL  31           HA       VAL  31 -19.401  -1.001  -1.756
  259    HB   VAL  31           HB       VAL  31 -17.455   0.810  -3.021
  260   HG11  VAL  31          HG11      VAL  31 -19.121   0.636  -0.616
  261   HG12  VAL  31          HG12      VAL  31 -18.743   2.017  -1.647
  262   HG13  VAL  31          HG13      VAL  31 -17.589   1.484  -0.426
  263   HG21  VAL  31          HG21      VAL  31 -15.842  -0.811  -2.420
  264   HG22  VAL  31          HG22      VAL  31 -16.615  -1.107  -0.866
  265   HG23  VAL  31          HG23      VAL  31 -15.798   0.426  -1.165
  266    HA   PRO  32           HA       PRO  32 -21.779  -0.618  -5.507
  267    HB2  PRO  32           HB2      PRO  32 -22.522   1.928  -4.093
  268    HB3  PRO  32           HB1      PRO  32 -23.563   0.782  -4.946
  269    HG2  PRO  32           HG2      PRO  32 -23.377   0.760  -2.276
  270    HG3  PRO  32           HG1      PRO  32 -23.545  -0.740  -3.204
  271    HD2  PRO  32           HD2      PRO  32 -21.196   0.324  -1.763
  272    HD3  PRO  32           HD1      PRO  32 -21.576  -1.349  -2.220
  273    H    GLN  33           HN       GLN  33 -21.052   0.126  -7.407
  274    HA   GLN  33           HA       GLN  33 -18.851   1.727  -7.767
  275    HB2  GLN  33           HB2      GLN  33 -19.674   0.288  -9.520
  276    HB3  GLN  33           HB1      GLN  33 -21.144   1.240  -9.667
  277    HG2  GLN  33           HG2      GLN  33 -19.779   1.863 -11.473
  278    HG3  GLN  33           HG1      GLN  33 -19.683   3.185 -10.310
  279   HE21  GLN  33          HE21      GLN  33 -17.838   2.423 -12.435
  280   HE22  GLN  33          HE22      GLN  33 -16.312   2.149 -11.672
  281    HA   PRO  34           HA       PRO  34 -21.837   5.509  -8.811
  282    HB2  PRO  34           HB2      PRO  34 -24.052   5.471  -7.128
  283    HB3  PRO  34           HB1      PRO  34 -24.062   5.077  -8.849
  284    HG2  PRO  34           HG2      PRO  34 -23.953   3.255  -6.486
  285    HG3  PRO  34           HG1      PRO  34 -24.831   3.062  -8.015
  286    HD2  PRO  34           HD2      PRO  34 -22.570   1.724  -7.548
  287    HD3  PRO  34           HD1      PRO  34 -22.927   2.374  -9.162
  288    H    LEU  35           HN       LEU  35 -21.507   3.998  -5.656
  289    HA   LEU  35           HA       LEU  35 -21.470   6.479  -4.208
  290    HB2  LEU  35           HB2      LEU  35 -22.324   4.390  -3.227
  291    HB3  LEU  35           HB1      LEU  35 -20.742   3.660  -3.392
  292    HG   LEU  35           HG       LEU  35 -19.834   5.211  -1.755
  293   HD11  LEU  35          HD11      LEU  35 -21.279   6.705  -0.487
  294   HD12  LEU  35          HD12      LEU  35 -22.638   6.276  -1.526
  295   HD13  LEU  35          HD13      LEU  35 -21.254   7.138  -2.197
  296   HD21  LEU  35          HD21      LEU  35 -22.342   3.844  -0.808
  297   HD22  LEU  35          HD22      LEU  35 -20.997   4.358   0.211
  298   HD23  LEU  35          HD23      LEU  35 -20.757   3.093  -0.994
  299    H    VAL  36           HN       VAL  36 -19.151   4.304  -5.645
  300    HA   VAL  36           HA       VAL  36 -16.827   5.481  -4.395
  301    HB   VAL  36           HB       VAL  36 -17.106   3.703  -6.835
  302   HG11  VAL  36          HG11      VAL  36 -14.618   4.749  -5.491
  303   HG12  VAL  36          HG12      VAL  36 -15.138   5.040  -7.151
  304   HG13  VAL  36          HG13      VAL  36 -14.637   3.424  -6.655
  305   HG21  VAL  36          HG21      VAL  36 -17.632   2.632  -4.693
  306   HG22  VAL  36          HG22      VAL  36 -16.058   3.123  -4.065
  307   HG23  VAL  36          HG23      VAL  36 -16.156   1.977  -5.402
  308    H    ASP  37           HN       ASP  37 -18.575   5.939  -7.434
  309    HA   ASP  37           HA       ASP  37 -16.771   7.715  -8.639
  310    HB2  ASP  37           HB2      ASP  37 -19.787   7.545  -8.847
  311    HB3  ASP  37           HB1      ASP  37 -18.784   8.556  -9.884
  312    H    SER  38           HN       SER  38 -19.521   8.294  -6.423
  313    HA   SER  38           HA       SER  38 -19.360  11.077  -6.377
  314    HB2  SER  38           HB2      SER  38 -21.234   9.823  -5.401
  315    HB3  SER  38           HB1      SER  38 -20.171   9.210  -4.134
  316    HG   SER  38           HG       SER  38 -21.177  10.957  -3.269
  317    H    TYR  39           HN       TYR  39 -17.693   8.685  -4.335
  318    HA   TYR  39           HA       TYR  39 -16.375  10.508  -2.671
  319    HB2  TYR  39           HB2      TYR  39 -16.235   8.326  -1.896
  320    HB3  TYR  39           HB1      TYR  39 -15.847   7.677  -3.488
  321    HD1  TYR  39           HD1      TYR  39 -14.470   9.567  -0.621
  322    HD2  TYR  39           HD2      TYR  39 -13.603   7.432  -4.195
  323    HE1  TYR  39           HE1      TYR  39 -12.080   9.610  -0.061
  324    HE2  TYR  39           HE2      TYR  39 -11.220   7.476  -3.651
  325    HH   TYR  39           HH       TYR  39  -9.655   8.793  -2.298
  326    H    ARG  40           HN       ARG  40 -15.395   9.043  -5.740
  327    HA   ARG  40           HA       ARG  40 -12.818  10.065  -5.913
  328    HB2  ARG  40           HB2      ARG  40 -14.844   9.386  -8.041
  329    HB3  ARG  40           HB1      ARG  40 -13.208   9.903  -8.432
  330    HG2  ARG  40           HG2      ARG  40 -12.322   7.998  -7.162
  331    HG3  ARG  40           HG1      ARG  40 -13.973   7.473  -6.827
  332    HD2  ARG  40           HD2      ARG  40 -14.383   7.225  -9.223
  333    HD3  ARG  40           HD1      ARG  40 -12.740   7.766  -9.565
  334    HE   ARG  40           HE       ARG  40 -12.577   5.579  -7.845
  335   HH11  ARG  40          HH11      ARG  40 -13.604   6.291 -11.097
  336   HH12  ARG  40          HH12      ARG  40 -13.238   4.708 -11.697
  337   HH21  ARG  40          HH21      ARG  40 -12.093   3.492  -8.625
  338   HH22  ARG  40          HH22      ARG  40 -12.380   3.116 -10.291
  339    H    GLN  41           HN       GLN  41 -15.902  11.580  -6.643
  340    HA   GLN  41           HA       GLN  41 -14.900  13.912  -7.902
  341    HB2  GLN  41           HB2      GLN  41 -17.291  13.217  -7.925
  342    HB3  GLN  41           HB1      GLN  41 -17.395  13.619  -6.216
  343    HG2  GLN  41           HG2      GLN  41 -18.250  15.509  -7.166
  344    HG3  GLN  41           HG1      GLN  41 -16.553  15.952  -7.001
  345   HE21  GLN  41          HE21      GLN  41 -15.758  14.198  -9.229
  346   HE22  GLN  41          HE22      GLN  41 -16.243  15.022 -10.666
  347    H    GLN  42           HN       GLN  42 -15.752  13.234  -4.517
  348    HA   GLN  42           HA       GLN  42 -15.021  15.732  -3.475
  349    HB2  GLN  42           HB2      GLN  42 -16.329  13.941  -2.286
  350    HB3  GLN  42           HB1      GLN  42 -14.816  13.076  -2.048
  351    HG2  GLN  42           HG2      GLN  42 -15.331  14.270  -0.050
  352    HG3  GLN  42           HG1      GLN  42 -13.943  15.039  -0.818
  353   HE21  GLN  42          HE21      GLN  42 -17.310  15.333  -0.019
  354   HE22  GLN  42          HE22      GLN  42 -17.451  17.024  -0.345
  355    H    GLN  43           HN       GLN  43 -13.145  13.031  -4.504
  356    HA   GLN  43           HA       GLN  43 -10.732  13.754  -3.116
  357    HB2  GLN  43           HB2      GLN  43 -11.282  11.422  -3.771
  358    HB3  GLN  43           HB1      GLN  43 -11.149  11.886  -5.460
  359    HG2  GLN  43           HG2      GLN  43  -8.782  12.476  -5.066
  360    HG3  GLN  43           HG1      GLN  43  -8.946  11.879  -3.414
  361   HE21  GLN  43          HE21      GLN  43  -8.856  11.010  -6.783
  362   HE22  GLN  43          HE22      GLN  43  -8.603   9.317  -6.546
  363    H    GLN  44           HN       GLN  44 -11.856  13.935  -6.486
  364    HA   GLN  44           HA       GLN  44  -9.602  15.157  -7.579
  365    HB2  GLN  44           HB2      GLN  44 -12.462  14.936  -8.348
  366    HB3  GLN  44           HB1      GLN  44 -11.528  16.201  -9.134
  367    HG2  GLN  44           HG2      GLN  44 -11.504  14.232 -10.498
  368    HG3  GLN  44           HG1      GLN  44  -9.889  14.509  -9.850
  369   HE21  GLN  44          HE21      GLN  44  -9.095  13.129  -8.235
  370   HE22  GLN  44          HE22      GLN  44  -9.778  11.565  -7.967
  371    H    LEU  45           HN       LEU  45 -12.032  16.370  -5.500
  372    HA   LEU  45           HA       LEU  45 -12.080  19.081  -6.057
  373    HB2  LEU  45           HB2      LEU  45 -13.597  18.243  -4.456
  374    HB3  LEU  45           HB1      LEU  45 -12.318  17.534  -3.492
  375    HG   LEU  45           HG       LEU  45 -11.651  20.161  -3.337
  376   HD11  LEU  45          HD11      LEU  45 -14.662  20.073  -3.380
  377   HD12  LEU  45          HD12      LEU  45 -13.643  20.837  -4.599
  378   HD13  LEU  45          HD13      LEU  45 -13.658  21.458  -2.948
  379   HD21  LEU  45          HD21      LEU  45 -11.757  18.696  -1.445
  380   HD22  LEU  45          HD22      LEU  45 -13.513  18.575  -1.579
  381   HD23  LEU  45          HD23      LEU  45 -12.769  20.104  -1.113
  382    H    LEU  46           HN       LEU  46  -9.823  17.317  -3.921
  383    HA   LEU  46           HA       LEU  46  -8.086  19.683  -4.028
  384    HB2  LEU  46           HB2      LEU  46  -8.461  17.727  -1.771
  385    HB3  LEU  46           HB1      LEU  46  -7.221  18.969  -1.803
  386    HG   LEU  46           HG       LEU  46 -10.161  19.582  -2.001
  387   HD11  LEU  46          HD11      LEU  46 -10.089  20.209   0.342
  388   HD12  LEU  46          HD12      LEU  46  -8.422  19.647   0.451
  389   HD13  LEU  46          HD13      LEU  46  -9.725  18.497   0.134
  390   HD21  LEU  46          HD21      LEU  46  -8.671  21.299  -2.875
  391   HD22  LEU  46          HD22      LEU  46  -7.771  21.297  -1.358
  392   HD23  LEU  46          HD23      LEU  46  -9.450  21.836  -1.387
  393    H    GLN  47           HN       GLN  47  -7.483  16.335  -2.925
  394    HA   GLN  47           HA       GLN  47  -5.840  14.841  -3.492
  395    HB2  GLN  47           HB2      GLN  47  -6.992  15.507  -5.832
  396    HB3  GLN  47           HB1      GLN  47  -5.368  16.102  -6.143
  397    HG2  GLN  47           HG2      GLN  47  -6.080  13.289  -5.341
  398    HG3  GLN  47           HG1      GLN  47  -5.692  13.829  -6.972
  399   HE21  GLN  47          HE21      GLN  47  -4.455  13.098  -3.820
  400   HE22  GLN  47          HE22      GLN  47  -2.782  13.097  -4.251
  401    H    ARG  48           HN       ARG  48  -5.303  17.771  -2.624
  402    HA   ARG  48           HA       ARG  48  -2.406  17.544  -2.801
  403    HB2  ARG  48           HB2      ARG  48  -3.957  19.946  -3.763
  404    HB3  ARG  48           HB1      ARG  48  -2.249  20.012  -3.352
  405    HG2  ARG  48           HG2      ARG  48  -1.759  18.365  -5.069
  406    HG3  ARG  48           HG1      ARG  48  -3.474  18.267  -5.472
  407    HD2  ARG  48           HD2      ARG  48  -1.726  20.714  -5.708
  408    HD3  ARG  48           HD1      ARG  48  -2.283  19.705  -7.042
  409    HE   ARG  48           HE       ARG  48  -4.447  20.726  -5.486
  410   HH11  ARG  48          HH11      ARG  48  -2.178  21.523  -8.009
  411   HH12  ARG  48          HH12      ARG  48  -3.196  22.730  -8.720
  412   HH21  ARG  48          HH21      ARG  48  -5.793  22.315  -6.417
  413   HH22  ARG  48          HH22      ARG  48  -5.249  23.182  -7.815
  414    H    ASP   1           HT1      ASP   1   7.687 -14.711  15.709
  415    HA   ASP   1           HA       ASP   1   6.623 -15.827  13.875
  416    HB2  ASP   1           HB2      ASP   1   4.692 -16.684  15.162
  417    HB3  ASP   1           HB1      ASP   1   4.050 -15.047  15.269
  418    H    GLU   2           HN       GLU   2   7.510 -14.279  12.633
  419    HA   GLU   2           HA       GLU   2   5.910 -12.034  11.870
  420    HB2  GLU   2           HB2      GLU   2   7.503 -10.276  12.488
  421    HB3  GLU   2           HB1      GLU   2   6.889 -11.105  13.912
  422    HG2  GLU   2           HG2      GLU   2   8.944 -12.404  14.053
  423    HG3  GLU   2           HG1      GLU   2   9.559 -11.596  12.612
  424    H    ASP   3           HN       ASP   3   7.500 -14.424  10.872
  425    HA   ASP   3           HA       ASP   3   9.493 -13.227   9.159
  426    HB2  ASP   3           HB2      ASP   3   9.760 -15.525   8.265
  427    HB3  ASP   3           HB1      ASP   3   9.900 -15.464  10.019
  428    H    THR   4           HN       THR   4   8.701 -15.171   6.931
  429    HA   THR   4           HA       THR   4   7.174 -13.279   5.456
  430    HB   THR   4           HB       THR   4   7.283 -15.960   4.318
  431    HG1  THR   4           HG1      THR   4   9.699 -15.411   3.942
  432   HG21  THR   4          HG21      THR   4   6.724 -14.032   2.968
  433   HG22  THR   4          HG22      THR   4   8.264 -14.697   2.420
  434   HG23  THR   4          HG23      THR   4   8.237 -13.244   3.421
  435    H    TYR   5           HN       TYR   5   5.148 -13.373   4.722
  436    HA   TYR   5           HA       TYR   5   3.325 -15.247   6.076
  437    HB2  TYR   5           HB2      TYR   5   3.124 -12.288   5.697
  438    HB3  TYR   5           HB1      TYR   5   1.723 -13.294   6.055
  439    HD1  TYR   5           HD1      TYR   5   1.755 -14.683   8.176
  440    HD2  TYR   5           HD2      TYR   5   4.560 -11.579   7.411
  441    HE1  TYR   5           HE1      TYR   5   2.272 -14.569  10.575
  442    HE2  TYR   5           HE2      TYR   5   5.084 -11.453   9.809
  443    HH   TYR   5           HH       TYR   5   4.239 -12.048  11.916
  444    H    TYR   6           HN       TYR   6   1.199 -15.475   4.817
  445    HA   TYR   6           HA       TYR   6   1.614 -14.774   1.995
  446    HB2  TYR   6           HB2      TYR   6  -0.273 -16.921   2.987
  447    HB3  TYR   6           HB1      TYR   6   0.323 -16.681   1.350
  448    HD1  TYR   6           HD2      TYR   6   3.241 -16.252   2.030
  449    HD2  TYR   6           HD1      TYR   6   0.433 -19.155   3.363
  450    HE1  TYR   6           HE2      TYR   6   5.081 -17.818   2.447
  451    HE2  TYR   6           HE1      TYR   6   2.267 -20.735   3.795
  452    HH   TYR   6           HH       TYR   6   5.528 -19.802   3.841
  453    H    LEU   7           HN       LEU   7   0.331 -13.420   1.060
  454    HA   LEU   7           HA       LEU   7  -2.062 -12.461   2.504
  455    HB2  LEU   7           HB2      LEU   7   0.221 -11.159   1.703
  456    HB3  LEU   7           HB1      LEU   7  -0.859 -10.857   0.372
  457    HG   LEU   7           HG       LEU   7  -2.130  -9.400   1.552
  458   HD11  LEU   7          HD11      LEU   7  -1.661  -9.604   4.269
  459   HD12  LEU   7          HD12      LEU   7  -1.881 -11.267   3.715
  460   HD13  LEU   7          HD13      LEU   7  -3.126 -10.062   3.402
  461   HD21  LEU   7          HD21      LEU   7   0.223  -8.683   1.464
  462   HD22  LEU   7          HD22      LEU   7   0.425  -9.284   3.111
  463   HD23  LEU   7          HD23      LEU   7  -0.692  -7.956   2.788
  464    H    GLN   8           HN       GLN   8  -3.802 -13.502   1.555
  465    HA   GLN   8           HA       GLN   8  -3.798 -13.978  -1.235
  466    HB2  GLN   8           HB2      GLN   8  -5.040 -15.148   0.840
  467    HB3  GLN   8           HB1      GLN   8  -6.339 -14.120   0.266
  468    HG2  GLN   8           HG2      GLN   8  -5.739 -15.153  -2.047
  469    HG3  GLN   8           HG1      GLN   8  -5.026 -16.423  -1.053
  470   HE21  GLN   8          HE21      GLN   8  -6.504 -17.967  -1.623
  471   HE22  GLN   8          HE22      GLN   8  -8.154 -17.920  -1.119
  472    H    VAL   9           HN       VAL   9  -4.129 -12.515  -2.705
  473    HA   VAL   9           HA       VAL   9  -5.960 -10.334  -2.053
  474    HB   VAL   9           HB       VAL   9  -3.350 -10.258  -3.536
  475   HG11  VAL   9          HG11      VAL   9  -3.946  -7.908  -4.203
  476   HG12  VAL   9          HG12      VAL   9  -5.620  -8.313  -3.822
  477   HG13  VAL   9          HG13      VAL   9  -4.768  -9.189  -5.093
  478   HG21  VAL   9          HG21      VAL   9  -2.922  -8.356  -2.075
  479   HG22  VAL   9          HG22      VAL   9  -3.360  -9.790  -1.147
  480   HG23  VAL   9          HG23      VAL   9  -4.543  -8.506  -1.395
  481    H    ARG  10           HN       ARG  10  -7.651 -10.025  -3.391
  482    HA   ARG  10           HA       ARG  10  -7.780 -11.786  -5.738
  483    HB2  ARG  10           HB2      ARG  10  -9.563 -11.818  -3.856
  484    HB3  ARG  10           HB1      ARG  10 -10.123 -10.304  -4.550
  485    HG2  ARG  10           HG2      ARG  10  -9.807 -12.717  -6.281
  486    HG3  ARG  10           HG1      ARG  10 -11.231 -12.533  -5.257
  487    HD2  ARG  10           HD2      ARG  10 -11.686 -10.359  -6.311
  488    HD3  ARG  10           HD1      ARG  10 -10.282 -10.582  -7.354
  489    HE   ARG  10           HE       ARG  10 -11.907 -12.802  -7.701
  490   HH11  ARG  10          HH11      ARG  10 -12.089  -9.359  -8.216
  491   HH12  ARG  10          HH12      ARG  10 -13.180  -9.488  -9.555
  492   HH21  ARG  10          HH21      ARG  10 -13.343 -12.979  -9.463
  493   HH22  ARG  10          HH22      ARG  10 -13.894 -11.545 -10.263
  494    H    GLY  11           HN       GLY  11  -8.132 -11.054  -7.744
  495    HA2  GLY  11           HA2      GLY  11  -8.616  -9.449  -9.405
  496    HA3  GLY  11           HA1      GLY  11  -8.635  -8.202  -8.165
  497    H    ARG  12           HN       ARG  12  -7.032  -9.144 -10.802
  498    HA   ARG  12           HA       ARG  12  -4.332  -9.170 -10.197
  499    HB2  ARG  12           HB2      ARG  12  -5.518  -9.507 -12.461
  500    HB3  ARG  12           HB1      ARG  12  -5.394  -7.761 -12.632
  501    HG2  ARG  12           HG2      ARG  12  -3.544  -8.682 -13.765
  502    HG3  ARG  12           HG1      ARG  12  -2.923  -8.011 -12.256
  503    HD2  ARG  12           HD2      ARG  12  -3.040 -10.280 -11.261
  504    HD3  ARG  12           HD1      ARG  12  -3.516 -10.907 -12.838
  505    HE   ARG  12           HE       ARG  12  -0.976  -9.464 -12.558
  506   HH11  ARG  12          HH11      ARG  12  -2.723 -12.402 -13.237
  507   HH12  ARG  12          HH12      ARG  12  -1.340 -13.229 -13.871
  508   HH21  ARG  12          HH21      ARG  12   0.847 -10.543 -13.393
  509   HH22  ARG  12          HH22      ARG  12   0.689 -12.172 -13.960
  510    H    GLU  13           HN       GLU  13  -6.309  -6.244 -10.841
  511    HA   GLU  13           HA       GLU  13  -4.273  -4.403 -10.751
  512    HB2  GLU  13           HB2      GLU  13  -6.709  -3.996 -11.281
  513    HB3  GLU  13           HB1      GLU  13  -7.000  -3.946  -9.546
  514    HG2  GLU  13           HG2      GLU  13  -6.799  -1.715 -10.234
  515    HG3  GLU  13           HG1      GLU  13  -5.281  -2.115  -9.434
  516    H    ASN  14           HN       ASN  14  -6.122  -5.704  -8.020
  517    HA   ASN  14           HA       ASN  14  -4.905  -4.155  -5.983
  518    HB2  ASN  14           HB2      ASN  14  -7.045  -5.311  -5.678
  519    HB3  ASN  14           HB1      ASN  14  -6.254  -6.868  -5.890
  520   HD21  ASN  14          HD21      ASN  14  -7.768  -6.390  -3.697
  521   HD22  ASN  14          HD22      ASN  14  -6.766  -6.279  -2.294
  522    H    PHE  15           HN       PHE  15  -4.302  -7.414  -7.219
  523    HA   PHE  15           HA       PHE  15  -2.253  -8.163  -5.489
  524    HB2  PHE  15           HB2      PHE  15  -3.453  -9.691  -7.029
  525    HB3  PHE  15           HB1      PHE  15  -2.575  -8.978  -8.380
  526    HD1  PHE  15           HD1      PHE  15  -1.388  -9.963  -4.982
  527    HD2  PHE  15           HD2      PHE  15  -1.192 -10.640  -9.188
  528    HE1  PHE  15           HE1      PHE  15   0.424 -11.570  -4.633
  529    HE2  PHE  15           HE2      PHE  15   0.655 -12.247  -8.829
  530    HZ   PHE  15           HZ       PHE  15   1.453 -12.705  -6.541
  531    H    GLU  16           HN       GLU  16  -2.025  -6.562  -8.670
  532    HA   GLU  16           HA       GLU  16   0.809  -6.421  -8.774
  533    HB2  GLU  16           HB2      GLU  16  -1.301  -4.680 -10.059
  534    HB3  GLU  16           HB1      GLU  16   0.413  -4.624 -10.446
  535    HG2  GLU  16           HG2      GLU  16   0.304  -6.976 -11.161
  536    HG3  GLU  16           HG1      GLU  16  -1.428  -6.972 -10.835
  537    H    ILE  17           HN       ILE  17  -1.567  -4.010  -7.601
  538    HA   ILE  17           HA       ILE  17   0.384  -2.059  -7.010
  539    HB   ILE  17           HB       ILE  17  -2.449  -2.458  -6.359
  540   HG12  ILE  17          HG12      ILE  17  -0.974   0.129  -6.738
  541   HG13  ILE  17          HG11      ILE  17  -1.270  -0.934  -8.106
  542   HG21  ILE  17          HG21      ILE  17  -0.704  -0.793  -4.547
  543   HG22  ILE  17          HG22      ILE  17  -1.606  -2.241  -4.085
  544   HG23  ILE  17          HG23      ILE  17  -2.469  -0.779  -4.566
  545   HD11  ILE  17          HD11      ILE  17  -3.648  -0.744  -7.775
  546   HD12  ILE  17          HD12      ILE  17  -2.926   0.866  -7.882
  547   HD13  ILE  17          HD13      ILE  17  -3.395   0.210  -6.312
  548    H    LEU  18           HN       LEU  18  -0.956  -4.739  -5.069
  549    HA   LEU  18           HA       LEU  18   0.489  -4.003  -2.697
  550    HB2  LEU  18           HB2      LEU  18  -1.703  -5.613  -3.356
  551    HB3  LEU  18           HB1      LEU  18  -0.470  -6.703  -2.763
  552    HG   LEU  18           HG       LEU  18  -0.265  -5.122  -0.764
  553   HD11  LEU  18          HD11      LEU  18  -1.447  -3.232  -1.693
  554   HD12  LEU  18          HD12      LEU  18  -2.283  -3.828  -0.258
  555   HD13  LEU  18          HD13      LEU  18  -2.908  -4.204  -1.862
  556   HD21  LEU  18          HD21      LEU  18  -2.851  -6.626  -1.119
  557   HD22  LEU  18          HD22      LEU  18  -2.084  -6.197   0.411
  558   HD23  LEU  18          HD23      LEU  18  -1.307  -7.352  -0.673
  559    H    MET  19           HN       MET  19   1.012  -6.156  -5.432
  560    HA   MET  19           HA       MET  19   3.079  -7.691  -4.217
  561    HB2  MET  19           HB2      MET  19   1.661  -8.131  -6.419
  562    HB3  MET  19           HB1      MET  19   2.994  -7.288  -7.188
  563    HG2  MET  19           HG2      MET  19   3.098  -9.854  -5.629
  564    HG3  MET  19           HG1      MET  19   3.379  -9.618  -7.350
  565    HE1  MET  19           HE1      MET  19   5.735 -11.197  -6.687
  566    HE2  MET  19           HE2      MET  19   5.027 -11.113  -5.073
  567    HE3  MET  19           HE3      MET  19   6.718 -10.681  -5.318
  568    H    LYS  20           HN       LYS  20   3.146  -4.998  -6.530
  569    HA   LYS  20           HA       LYS  20   5.922  -4.554  -6.640
  570    HB2  LYS  20           HB2      LYS  20   3.957  -3.477  -7.958
  571    HB3  LYS  20           HB1      LYS  20   3.885  -2.347  -6.615
  572    HG2  LYS  20           HG2      LYS  20   6.430  -2.853  -8.120
  573    HG3  LYS  20           HG1      LYS  20   5.238  -1.672  -8.665
  574    HD2  LYS  20           HD2      LYS  20   5.400  -0.620  -6.382
  575    HD3  LYS  20           HD1      LYS  20   6.771  -1.686  -6.072
  576    HE2  LYS  20           HE2      LYS  20   6.573   0.324  -8.310
  577    HE3  LYS  20           HE1      LYS  20   7.492   0.532  -6.821
  578    HZ1  LYS  20           HZ1      LYS  20   8.934  -0.170  -8.601
  579    HZ2  LYS  20           HZ2      LYS  20   7.974  -1.529  -8.904
  580    HZ3  LYS  20           HZ3      LYS  20   8.827  -1.405  -7.450
  581    H    LEU  21           HN       LEU  21   3.416  -3.609  -4.429
  582    HA   LEU  21           HA       LEU  21   5.000  -1.908  -2.825
  583    HB2  LEU  21           HB2      LEU  21   2.430  -2.121  -3.143
  584    HB3  LEU  21           HB1      LEU  21   2.537  -3.353  -1.905
  585    HG   LEU  21           HG       LEU  21   3.600  -1.599  -0.435
  586   HD11  LEU  21          HD11      LEU  21   2.392   0.333  -2.392
  587   HD12  LEU  21          HD12      LEU  21   4.090  -0.130  -2.476
  588   HD13  LEU  21          HD13      LEU  21   3.465   0.665  -1.035
  589   HD21  LEU  21          HD21      LEU  21   1.537  -1.140   0.404
  590   HD22  LEU  21          HD22      LEU  21   1.075  -2.395  -0.742
  591   HD23  LEU  21          HD23      LEU  21   0.876  -0.695  -1.168
  592    H    LYS  22           HN       LYS  22   4.103  -5.302  -2.558
  593    HA   LYS  22           HA       LYS  22   5.100  -5.832  -0.011
  594    HB2  LYS  22           HB2      LYS  22   3.875  -7.584  -0.933
  595    HB3  LYS  22           HB1      LYS  22   4.665  -7.451  -2.495
  596    HG2  LYS  22           HG2      LYS  22   6.469  -8.245  -0.344
  597    HG3  LYS  22           HG1      LYS  22   5.144  -9.378  -0.623
  598    HD2  LYS  22           HD2      LYS  22   6.036  -8.677  -3.169
  599    HD3  LYS  22           HD1      LYS  22   7.506  -8.875  -2.213
  600    HE2  LYS  22           HE2      LYS  22   6.832 -10.976  -3.277
  601    HE3  LYS  22           HE1      LYS  22   6.777 -11.090  -1.520
  602    HZ1  LYS  22           HZ1      LYS  22   4.484 -10.777  -3.368
  603    HZ2  LYS  22           HZ2      LYS  22   4.355 -10.631  -1.688
  604    HZ3  LYS  22           HZ3      LYS  22   4.831 -12.102  -2.373
  605    H    GLU  23           HN       GLU  23   6.596  -5.600  -3.135
  606    HA   GLU  23           HA       GLU  23   9.212  -6.423  -2.407
  607    HB2  GLU  23           HB2      GLU  23   8.346  -6.385  -4.734
  608    HB3  GLU  23           HB1      GLU  23   8.276  -4.634  -4.664
  609    HG2  GLU  23           HG2      GLU  23  10.423  -4.418  -5.142
  610    HG3  GLU  23           HG1      GLU  23  10.902  -5.682  -4.011
  611    H    SER  24           HN       SER  24   7.700  -3.194  -2.631
  612    HA   SER  24           HA       SER  24  10.004  -1.770  -1.974
  613    HB2  SER  24           HB2      SER  24   8.608   0.131  -1.626
  614    HB3  SER  24           HB1      SER  24   7.822  -0.829  -2.878
  615    HG   SER  24           HG       SER  24   7.164  -0.919  -0.119
  616    H    LEU  25           HN       LEU  25   7.410  -2.926   0.193
  617    HA   LEU  25           HA       LEU  25   8.523  -1.887   2.597
  618    HB2  LEU  25           HB2      LEU  25   6.454  -3.895   1.885
  619    HB3  LEU  25           HB1      LEU  25   7.128  -3.960   3.500
  620    HG   LEU  25           HG       LEU  25   5.913  -1.450   2.356
  621   HD11  LEU  25          HD11      LEU  25   4.244  -3.248   2.368
  622   HD12  LEU  25          HD12      LEU  25   3.886  -2.010   3.570
  623   HD13  LEU  25          HD13      LEU  25   4.588  -3.550   4.072
  624   HD21  LEU  25          HD21      LEU  25   6.271  -2.278   5.227
  625   HD22  LEU  25          HD22      LEU  25   5.869  -0.681   4.593
  626   HD23  LEU  25          HD23      LEU  25   7.482  -1.350   4.340
  627    H    GLU  26           HN       GLU  26   8.815  -5.052   1.030
  628    HA   GLU  26           HA       GLU  26  10.384  -6.222   3.076
  629    HB2  GLU  26           HB2      GLU  26   9.942  -6.894   0.181
  630    HB3  GLU  26           HB1      GLU  26  11.081  -7.803   1.165
  631    HG2  GLU  26           HG2      GLU  26   9.145  -8.145   2.786
  632    HG3  GLU  26           HG1      GLU  26   8.110  -7.573   1.479
  633    H    LEU  27           HN       LEU  27  11.234  -4.571   0.058
  634    HA   LEU  27           HA       LEU  27  14.051  -4.900   0.267
  635    HB2  LEU  27           HB2      LEU  27  12.257  -3.052  -1.263
  636    HB3  LEU  27           HB1      LEU  27  13.996  -2.828  -1.268
  637    HG   LEU  27           HG       LEU  27  12.674  -5.412  -2.092
  638   HD11  LEU  27          HD11      LEU  27  13.626  -3.164  -3.856
  639   HD12  LEU  27          HD12      LEU  27  11.940  -3.587  -3.554
  640   HD13  LEU  27          HD13      LEU  27  12.998  -4.723  -4.389
  641   HD21  LEU  27          HD21      LEU  27  14.835  -5.827  -3.177
  642   HD22  LEU  27          HD22      LEU  27  15.004  -5.621  -1.434
  643   HD23  LEU  27          HD23      LEU  27  15.446  -4.306  -2.524
  644    H    MET  28           HN       MET  28  11.865  -2.446   1.635
  645    HA   MET  28           HA       MET  28  13.831  -0.618   2.197
  646    HB2  MET  28           HB2      MET  28  11.381  -0.240   2.574
  647    HB3  MET  28           HB1      MET  28  11.494  -1.218   4.032
  648    HG2  MET  28           HG2      MET  28  13.409   0.515   4.597
  649    HG3  MET  28           HG1      MET  28  12.475   1.520   3.498
  650    HE1  MET  28           HE1      MET  28   9.391   2.491   5.315
  651    HE2  MET  28           HE2      MET  28   9.425   1.268   4.047
  652    HE3  MET  28           HE3      MET  28  10.487   2.673   3.942
  653    H    GLU  29           HN       GLU  29  13.634  -3.769   3.470
  654    HA   GLU  29           HA       GLU  29  15.044  -3.126   5.933
  655    HB2  GLU  29           HB2      GLU  29  14.598  -5.276   6.605
  656    HB3  GLU  29           HB1      GLU  29  13.226  -4.961   5.553
  657    HG2  GLU  29           HG2      GLU  29  14.482  -6.102   3.716
  658    HG3  GLU  29           HG1      GLU  29  15.691  -6.558   4.914
  659    H    LEU  30           HN       LEU  30  15.758  -4.024   2.689
  660    HA   LEU  30           HA       LEU  30  18.376  -5.076   3.409
  661    HB2  LEU  30           HB2      LEU  30  18.275  -6.268   1.538
  662    HB3  LEU  30           HB1      LEU  30  16.591  -5.807   1.484
  663    HG   LEU  30           HG       LEU  30  18.786  -4.334   0.044
  664   HD11  LEU  30          HD11      LEU  30  16.800  -6.324  -1.044
  665   HD12  LEU  30          HD12      LEU  30  18.508  -6.654  -0.762
  666   HD13  LEU  30          HD13      LEU  30  18.031  -5.453  -1.963
  667   HD21  LEU  30          HD21      LEU  30  16.884  -2.929   0.454
  668   HD22  LEU  30          HD22      LEU  30  15.790  -4.185  -0.123
  669   HD23  LEU  30          HD23      LEU  30  16.899  -3.398  -1.245
  670    H    VAL  31           HN       VAL  31  17.166  -2.148   3.222
  671    HA   VAL  31           HA       VAL  31  19.403  -0.961   1.750
  672    HB   VAL  31           HB       VAL  31  17.454   0.846   3.017
  673   HG11  VAL  31          HG11      VAL  31  19.120   0.678   0.610
  674   HG12  VAL  31          HG12      VAL  31  18.740   2.057   1.643
  675   HG13  VAL  31          HG13      VAL  31  17.587   1.523   0.422
  676   HG21  VAL  31          HG21      VAL  31  15.844  -0.777   2.415
  677   HG22  VAL  31          HG22      VAL  31  16.618  -1.071   0.860
  678   HG23  VAL  31          HG23      VAL  31  15.797   0.460   1.160
  679    HA   PRO  32           HA       PRO  32  21.782  -0.575   5.499
  680    HB2  PRO  32           HB2      PRO  32  22.518   1.973   4.087
  681    HB3  PRO  32           HB1      PRO  32  23.563   0.829   4.938
  682    HG2  PRO  32           HG2      PRO  32  23.375   0.809   2.269
  683    HG3  PRO  32           HG1      PRO  32  23.548  -0.692   3.196
  684    HD2  PRO  32           HD2      PRO  32  21.196   0.368   1.756
  685    HD3  PRO  32           HD1      PRO  32  21.581  -1.304   2.212
  686    H    GLN  33           HN       GLN  33  21.055   0.167   7.400
  687    HA   GLN  33           HA       GLN  33  18.850   1.763   7.762
  688    HB2  GLN  33           HB2      GLN  33  19.677   0.324   9.513
  689    HB3  GLN  33           HB1      GLN  33  21.145   1.279   9.661
  690    HG2  GLN  33           HG2      GLN  33  19.778   1.898  11.467
  691    HG3  GLN  33           HG1      GLN  33  19.679   3.221  10.305
  692   HE21  GLN  33          HE21      GLN  33  17.836   2.455  12.430
  693   HE22  GLN  33          HE22      GLN  33  16.312   2.176  11.667
  694    HA   PRO  34           HA       PRO  34  21.828   5.550   8.806
  695    HB2  PRO  34           HB2      PRO  34  24.043   5.517   7.124
  696    HB3  PRO  34           HB1      PRO  34  24.054   5.122   8.845
  697    HG2  PRO  34           HG2      PRO  34  23.947   3.302   6.480
  698    HG3  PRO  34           HG1      PRO  34  24.827   3.109   8.008
  699    HD2  PRO  34           HD2      PRO  34  22.568   1.766   7.543
  700    HD3  PRO  34           HD1      PRO  34  22.925   2.418   9.156
  701    H    LEU  35           HN       LEU  35  21.498   4.040   5.652
  702    HA   LEU  35           HA       LEU  35  21.458   6.522   4.205
  703    HB2  LEU  35           HB2      LEU  35  22.316   4.435   3.222
  704    HB3  LEU  35           HB1      LEU  35  20.734   3.703   3.387
  705    HG   LEU  35           HG       LEU  35  19.824   5.253   1.752
  706   HD11  LEU  35          HD11      LEU  35  21.266   6.751   0.485
  707   HD12  LEU  35          HD12      LEU  35  22.626   6.322   1.524
  708   HD13  LEU  35          HD13      LEU  35  21.240   7.182   2.195
  709   HD21  LEU  35          HD21      LEU  35  22.334   3.892   0.804
  710   HD22  LEU  35          HD22      LEU  35  20.989   4.404  -0.215
  711   HD23  LEU  35          HD23      LEU  35  20.751   3.136   0.988
  712    H    VAL  36           HN       VAL  36  19.144   4.342   5.642
  713    HA   VAL  36           HA       VAL  36  16.818   5.514   4.391
  714    HB   VAL  36           HB       VAL  36  17.100   3.735   6.831
  715   HG11  VAL  36          HG11      VAL  36  14.609   4.776   5.488
  716   HG12  VAL  36          HG12      VAL  36  15.130   5.068   7.148
  717   HG13  VAL  36          HG13      VAL  36  14.632   3.451   6.651
  718   HG21  VAL  36          HG21      VAL  36  17.628   2.667   4.687
  719   HG22  VAL  36          HG22      VAL  36  16.052   3.155   4.060
  720   HG23  VAL  36          HG23      VAL  36  16.154   2.008   5.397
  721    H    ASP  37           HN       ASP  37  18.566   5.974   7.431
  722    HA   ASP  37           HA       ASP  37  16.758   7.745   8.637
  723    HB2  ASP  37           HB2      ASP  37  19.774   7.582   8.846
  724    HB3  ASP  37           HB1      ASP  37  18.769   8.590   9.882
  725    H    SER  38           HN       SER  38  19.505   8.332   6.421
  726    HA   SER  38           HA       SER  38  19.339  11.115   6.377
  727    HB2  SER  38           HB2      SER  38  21.215   9.865   5.399
  728    HB3  SER  38           HB1      SER  38  20.152   9.251   4.133
  729    HG   SER  38           HG       SER  38  21.156  11.001   3.269
  730    H    TYR  39           HN       TYR  39  17.677   8.720   4.335
  731    HA   TYR  39           HA       TYR  39  16.354  10.542   2.672
  732    HB2  TYR  39           HB2      TYR  39  16.219   8.359   1.896
  733    HB3  TYR  39           HB1      TYR  39  15.832   7.708   3.488
  734    HD1  TYR  39           HD1      TYR  39  14.451   9.597   0.620
  735    HD2  TYR  39           HD2      TYR  39  13.589   7.460   4.195
  736    HE1  TYR  39           HE1      TYR  39  12.060   9.637   0.061
  737    HE2  TYR  39           HE2      TYR  39  11.206   7.501   3.650
  738    HH   TYR  39           HH       TYR  39   9.637   8.812   2.299
  739    H    ARG  40           HN       ARG  40  15.378   9.072   5.740
  740    HA   ARG  40           HA       ARG  40  12.799  10.090   5.914
  741    HB2  ARG  40           HB2      ARG  40  14.827   9.413   8.040
  742    HB3  ARG  40           HB1      ARG  40  13.190   9.926   8.433
  743    HG2  ARG  40           HG2      ARG  40  12.307   8.020   7.161
  744    HG3  ARG  40           HG1      ARG  40  13.960   7.499   6.826
  745    HD2  ARG  40           HD2      ARG  40  14.370   7.250   9.221
  746    HD3  ARG  40           HD1      ARG  40  12.726   7.789   9.564
  747    HE   ARG  40           HE       ARG  40  12.567   5.601   7.844
  748   HH11  ARG  40          HH11      ARG  40  13.595   6.313  11.096
  749   HH12  ARG  40          HH12      ARG  40  13.233   4.729  11.694
  750   HH21  ARG  40          HH21      ARG  40  12.089   3.513   8.622
  751   HH22  ARG  40          HH22      ARG  40  12.377   3.138  10.288
  752    H    GLN  41           HN       GLN  41  15.880  11.611   6.643
  753    HA   GLN  41           HA       GLN  41  14.872  13.940   7.904
  754    HB2  GLN  41           HB2      GLN  41  17.264  13.250   7.928
  755    HB3  GLN  41           HB1      GLN  41  17.369  13.651   6.219
  756    HG2  GLN  41           HG2      GLN  41  18.218  15.544   7.168
  757    HG3  GLN  41           HG1      GLN  41  16.520  15.983   7.005
  758   HE21  GLN  41          HE21      GLN  41  15.731  14.225   9.231
  759   HE22  GLN  41          HE22      GLN  41  16.214  15.049  10.669
  760    H    GLN  42           HN       GLN  42  15.727  13.266   4.518
  761    HA   GLN  42           HA       GLN  42  14.990  15.763   3.478
  762    HB2  GLN  42           HB2      GLN  42  16.301  13.976   2.287
  763    HB3  GLN  42           HB1      GLN  42  14.791  13.107   2.050
  764    HG2  GLN  42           HG2      GLN  42  15.300  14.303   0.052
  765    HG3  GLN  42           HG1      GLN  42  13.911  15.069   0.822
  766   HE21  GLN  42          HE21      GLN  42  17.278  15.369   0.023
  767   HE22  GLN  42          HE22      GLN  42  17.416  17.060   0.349
  768    H    GLN  43           HN       GLN  43  13.120  13.057   4.507
  769    HA   GLN  43           HA       GLN  43  10.705  13.775   3.119
  770    HB2  GLN  43           HB2      GLN  43  11.260  11.444   3.771
  771    HB3  GLN  43           HB1      GLN  43  11.126  11.905   5.461
  772    HG2  GLN  43           HG2      GLN  43   8.758  12.492   5.068
  773    HG3  GLN  43           HG1      GLN  43   8.922  11.896   3.416
  774   HE21  GLN  43          HE21      GLN  43   8.835  11.025   6.785
  775   HE22  GLN  43          HE22      GLN  43   8.584   9.332   6.548
  776    H    GLN  44           HN       GLN  44  11.828  13.953   6.491
  777    HA   GLN  44           HA       GLN  44   9.573  15.173   7.584
  778    HB2  GLN  44           HB2      GLN  44  12.434  14.958   8.353
  779    HB3  GLN  44           HB1      GLN  44  11.497  16.221   9.139
  780    HG2  GLN  44           HG2      GLN  44  11.477  14.251  10.502
  781    HG3  GLN  44           HG1      GLN  44   9.861  14.525   9.854
  782   HE21  GLN  44          HE21      GLN  44   9.071  13.145   8.239
  783   HE22  GLN  44          HE22      GLN  44   9.756  11.583   7.969
  784    H    LEU  45           HN       LEU  45  12.000  16.393   5.504
  785    HA   LEU  45           HA       LEU  45  12.043  19.104   6.063
  786    HB2  LEU  45           HB2      LEU  45  13.562  18.272   4.460
  787    HB3  LEU  45           HB1      LEU  45  12.284  17.559   3.497
  788    HG   LEU  45           HG       LEU  45  11.609  20.184   3.344
  789   HD11  LEU  45          HD11      LEU  45  14.620  20.101   3.386
  790   HD12  LEU  45          HD12      LEU  45  13.599  20.862   4.606
  791   HD13  LEU  45          HD13      LEU  45  13.614  21.485   2.956
  792   HD21  LEU  45          HD21      LEU  45  11.717  18.721   1.450
  793   HD22  LEU  45          HD22      LEU  45  13.473  18.603   1.583
  794   HD23  LEU  45          HD23      LEU  45  12.727  20.131   1.119
  795    H    LEU  46           HN       LEU  46   9.790  17.336   3.927
  796    HA   LEU  46           HA       LEU  46   8.047  19.698   4.036
  797    HB2  LEU  46           HB2      LEU  46   8.424  17.743   1.777
  798    HB3  LEU  46           HB1      LEU  46   7.182  18.984   1.811
  799    HG   LEU  46           HG       LEU  46  10.121  19.602   2.007
  800   HD11  LEU  46          HD11      LEU  46  10.047  20.231  -0.336
  801   HD12  LEU  46          HD12      LEU  46   8.382  19.665  -0.444
  802   HD13  LEU  46          HD13      LEU  46   9.687  18.517  -0.129
  803   HD21  LEU  46          HD21      LEU  46   8.628  21.315   2.883
  804   HD22  LEU  46          HD22      LEU  46   7.728  21.313   1.366
  805   HD23  LEU  46          HD23      LEU  46   9.406  21.855   1.395
  806    H    GLN  47           HN       GLN  47   7.451  16.350   2.931
  807    HA   GLN  47           HA       GLN  47   5.810  14.853   3.498
  808    HB2  GLN  47           HB2      GLN  47   6.960  15.520   5.840
  809    HB3  GLN  47           HB1      GLN  47   5.334  16.110   6.150
  810    HG2  GLN  47           HG2      GLN  47   6.054  13.301   5.345
  811    HG3  GLN  47           HG1      GLN  47   5.665  13.838   6.977
  812   HE21  GLN  47          HE21      GLN  47   4.429  13.106   3.824
  813   HE22  GLN  47          HE22      GLN  47   2.756  13.102   4.256
  814    H    ARG  48           HN       ARG  48   5.267  17.781   2.632
  815    HA   ARG  48           HA       ARG  48   2.371  17.548   2.808
  816    HB2  ARG  48           HB2      ARG  48   3.917  19.951   3.772
  817    HB3  ARG  48           HB1      ARG  48   2.209  20.015   3.360
  818    HG2  ARG  48           HG2      ARG  48   1.720  18.368   5.077
  819    HG3  ARG  48           HG1      ARG  48   3.436  18.269   5.480
  820    HD2  ARG  48           HD2      ARG  48   1.687  20.715   5.718
  821    HD3  ARG  48           HD1      ARG  48   2.245  19.707   7.051
  822    HE   ARG  48           HE       ARG  48   4.407  20.734   5.495
  823   HH11  ARG  48          HH11      ARG  48   2.135  21.523   8.018
  824   HH12  ARG  48          HH12      ARG  48   3.150  22.732   8.731
  825   HH21  ARG  48          HH21      ARG  48   5.748  22.324   6.427
  826   HH22  ARG  48          HH22      ARG  48   5.203  23.188   7.826
  827    H    ASP   1           HT1      ASP   1  -7.695  14.712  15.714
  828    HA   ASP   1           HA       ASP   1  -6.630  15.828  13.879
  829    HB2  ASP   1           HB2      ASP   1  -4.700  16.684  15.166
  830    HB3  ASP   1           HB1      ASP   1  -4.058  15.048  15.274
  831    H    GLU   2           HN       GLU   2  -7.516  14.280  12.636
  832    HA   GLU   2           HA       GLU   2  -5.916  12.035  11.875
  833    HB2  GLU   2           HB2      GLU   2  -7.508  10.276  12.493
  834    HB3  GLU   2           HB1      GLU   2  -6.896  11.105  13.917
  835    HG2  GLU   2           HG2      GLU   2  -8.953  12.405  14.056
  836    HG3  GLU   2           HG1      GLU   2  -9.566  11.595  12.614
  837    H    ASP   3           HN       ASP   3  -7.507  14.424  10.876
  838    HA   ASP   3           HA       ASP   3  -9.497  13.227   9.162
  839    HB2  ASP   3           HB2      ASP   3  -9.764  15.525   8.268
  840    HB3  ASP   3           HB1      ASP   3  -9.905  15.464  10.021
  841    H    THR   4           HN       THR   4  -8.704  15.171   6.935
  842    HA   THR   4           HA       THR   4  -7.179  13.278   5.460
  843    HB   THR   4           HB       THR   4  -7.286  15.959   4.322
  844    HG1  THR   4           HG1      THR   4  -9.702  15.410   3.945
  845   HG21  THR   4          HG21      THR   4  -6.727  14.032   2.971
  846   HG22  THR   4          HG22      THR   4  -8.267  14.696   2.424
  847   HG23  THR   4          HG23      THR   4  -8.240  13.242   3.424
  848    H    TYR   5           HN       TYR   5  -5.151  13.372   4.726
  849    HA   TYR   5           HA       TYR   5  -3.330  15.247   6.081
  850    HB2  TYR   5           HB2      TYR   5  -3.127  12.288   5.703
  851    HB3  TYR   5           HB1      TYR   5  -1.727  13.295   6.061
  852    HD1  TYR   5           HD1      TYR   5  -1.760  14.683   8.181
  853    HD2  TYR   5           HD2      TYR   5  -4.564  11.579   7.416
  854    HE1  TYR   5           HE1      TYR   5  -2.277  14.569  10.581
  855    HE2  TYR   5           HE2      TYR   5  -5.089  11.452   9.813
  856    HH   TYR   5           HH       TYR   5  -4.244  12.048  11.922
  857    H    TYR   6           HN       TYR   6  -1.203  15.474   4.823
  858    HA   TYR   6           HA       TYR   6  -1.617  14.773   1.999
  859    HB2  TYR   6           HB2      TYR   6   0.269  16.921   2.992
  860    HB3  TYR   6           HB1      TYR   6  -0.327  16.681   1.356
  861    HD1  TYR   6           HD2      TYR   6  -3.243  16.252   2.035
  862    HD2  TYR   6           HD1      TYR   6  -0.437  19.155   3.370
  863    HE1  TYR   6           HE2      TYR   6  -5.084  17.817   2.450
  864    HE2  TYR   6           HE1      TYR   6  -2.271  20.736   3.800
  865    HH   TYR   6           HH       TYR   6  -5.532  19.801   3.844
  866    H    LEU   7           HN       LEU   7  -0.334  13.419   1.066
  867    HA   LEU   7           HA       LEU   7   2.059  12.461   2.510
  868    HB2  LEU   7           HB2      LEU   7  -0.223  11.159   1.708
  869    HB3  LEU   7           HB1      LEU   7   0.857  10.856   0.378
  870    HG   LEU   7           HG       LEU   7   2.129   9.400   1.559
  871   HD11  LEU   7          HD11      LEU   7   1.659   9.603   4.276
  872   HD12  LEU   7          HD12      LEU   7   1.877  11.266   3.723
  873   HD13  LEU   7          HD13      LEU   7   3.124  10.063   3.409
  874   HD21  LEU   7          HD21      LEU   7  -0.224   8.682   1.470
  875   HD22  LEU   7          HD22      LEU   7  -0.427   9.284   3.117
  876   HD23  LEU   7          HD23      LEU   7   0.691   7.956   2.795
  877    H    GLN   8           HN       GLN   8   3.799  13.502   1.562
  878    HA   GLN   8           HA       GLN   8   3.795  13.979  -1.228
  879    HB2  GLN   8           HB2      GLN   8   5.036  15.148   0.848
  880    HB3  GLN   8           HB1      GLN   8   6.336  14.120   0.274
  881    HG2  GLN   8           HG2      GLN   8   5.735  15.155  -2.039
  882    HG3  GLN   8           HG1      GLN   8   5.023  16.424  -1.043
  883   HE21  GLN   8          HE21      GLN   8   6.501  17.966  -1.616
  884   HE22  GLN   8          HE22      GLN   8   8.151  17.920  -1.114
  885    H    VAL   9           HN       VAL   9   4.128  12.515  -2.698
  886    HA   VAL   9           HA       VAL   9   5.960  10.335  -2.044
  887    HB   VAL   9           HB       VAL   9   3.351  10.259  -3.528
  888   HG11  VAL   9          HG11      VAL   9   3.947   7.908  -4.194
  889   HG12  VAL   9          HG12      VAL   9   5.621   8.314  -3.812
  890   HG13  VAL   9          HG13      VAL   9   4.769   9.189  -5.084
  891   HG21  VAL   9          HG21      VAL   9   2.922   8.357  -2.068
  892   HG22  VAL   9          HG22      VAL   9   3.359   9.791  -1.140
  893   HG23  VAL   9          HG23      VAL   9   4.541   8.506  -1.387
  894    H    ARG  10           HN       ARG  10   7.651  10.025  -3.382
  895    HA   ARG  10           HA       ARG  10   7.780  11.787  -5.729
  896    HB2  ARG  10           HB2      ARG  10   9.563  11.820  -3.847
  897    HB3  ARG  10           HB1      ARG  10  10.123  10.305  -4.540
  898    HG2  ARG  10           HG2      ARG  10   9.807  12.718  -6.271
  899    HG3  ARG  10           HG1      ARG  10  11.231  12.534  -5.248
  900    HD2  ARG  10           HD2      ARG  10  11.685  10.360  -6.302
  901    HD3  ARG  10           HD1      ARG  10  10.282  10.583  -7.344
  902    HE   ARG  10           HE       ARG  10  11.905  12.803  -7.691
  903   HH11  ARG  10          HH11      ARG  10  12.089   9.362  -8.205
  904   HH12  ARG  10          HH12      ARG  10  13.181   9.489  -9.542
  905   HH21  ARG  10          HH21      ARG  10  13.344  12.981  -9.452
  906   HH22  ARG  10          HH22      ARG  10  13.897  11.547 -10.250
  907    H    GLY  11           HN       GLY  11   8.135  11.055  -7.734
  908    HA2  GLY  11           HA2      GLY  11   8.618   9.451  -9.396
  909    HA3  GLY  11           HA1      GLY  11   8.637   8.203  -8.156
  910    H    ARG  12           HN       ARG  12   7.034   9.144 -10.793
  911    HA   ARG  12           HA       ARG  12   4.334   9.170 -10.190
  912    HB2  ARG  12           HB2      ARG  12   5.521   9.507 -12.453
  913    HB3  ARG  12           HB1      ARG  12   5.397   7.761 -12.624
  914    HG2  ARG  12           HG2      ARG  12   3.547   8.682 -13.757
  915    HG3  ARG  12           HG1      ARG  12   2.926   8.011 -12.249
  916    HD2  ARG  12           HD2      ARG  12   3.042  10.279 -11.253
  917    HD3  ARG  12           HD1      ARG  12   3.518  10.907 -12.830
  918    HE   ARG  12           HE       ARG  12   0.978   9.463 -12.551
  919   HH11  ARG  12          HH11      ARG  12   2.726  12.401 -13.228
  920   HH12  ARG  12          HH12      ARG  12   1.343  13.228 -13.863
  921   HH21  ARG  12          HH21      ARG  12  -0.845  10.543 -13.387
  922   HH22  ARG  12          HH22      ARG  12  -0.687  12.172 -13.954
  923    H    GLU  13           HN       GLU  13   6.312   6.244 -10.831
  924    HA   GLU  13           HA       GLU  13   4.276   4.403 -10.742
  925    HB2  GLU  13           HB2      GLU  13   6.712   3.997 -11.271
  926    HB3  GLU  13           HB1      GLU  13   7.002   3.946  -9.537
  927    HG2  GLU  13           HG2      GLU  13   6.802   1.715 -10.224
  928    HG3  GLU  13           HG1      GLU  13   5.283   2.116  -9.425
  929    H    ASN  14           HN       ASN  14   6.124   5.705  -8.012
  930    HA   ASN  14           HA       ASN  14   4.906   4.156  -5.975
  931    HB2  ASN  14           HB2      ASN  14   7.046   5.313  -5.669
  932    HB3  ASN  14           HB1      ASN  14   6.255   6.869  -5.881
  933   HD21  ASN  14          HD21      ASN  14   7.768   6.391  -3.687
  934   HD22  ASN  14          HD22      ASN  14   6.765   6.279  -2.284
  935    H    PHE  15           HN       PHE  15   4.303   7.415  -7.212
  936    HA   PHE  15           HA       PHE  15   2.254   8.164  -5.482
  937    HB2  PHE  15           HB2      PHE  15   3.454   9.691  -7.023
  938    HB3  PHE  15           HB1      PHE  15   2.576   8.979  -8.373
  939    HD1  PHE  15           HD1      PHE  15   1.389   9.963  -4.975
  940    HD2  PHE  15           HD2      PHE  15   1.194  10.640  -9.182
  941    HE1  PHE  15           HE1      PHE  15  -0.424  11.570  -4.627
  942    HE2  PHE  15           HE2      PHE  15  -0.652  12.246  -8.823
  943    HZ   PHE  15           HZ       PHE  15  -1.451  12.704  -6.536
  944    H    GLU  16           HN       GLU  16   2.027   6.561  -8.662
  945    HA   GLU  16           HA       GLU  16  -0.807   6.421  -8.766
  946    HB2  GLU  16           HB2      GLU  16   1.303   4.679 -10.052
  947    HB3  GLU  16           HB1      GLU  16  -0.411   4.624 -10.438
  948    HG2  GLU  16           HG2      GLU  16  -0.302   6.975 -11.153
  949    HG3  GLU  16           HG1      GLU  16   1.430   6.972 -10.826
  950    H    ILE  17           HN       ILE  17   1.569   4.011  -7.594
  951    HA   ILE  17           HA       ILE  17  -0.382   2.060  -7.004
  952    HB   ILE  17           HB       ILE  17   2.450   2.458  -6.352
  953   HG12  ILE  17          HG12      ILE  17   0.975  -0.129  -6.730
  954   HG13  ILE  17          HG11      ILE  17   1.272   0.934  -8.099
  955   HG21  ILE  17          HG21      ILE  17   0.705   0.793  -4.541
  956   HG22  ILE  17          HG22      ILE  17   1.606   2.241  -4.078
  957   HG23  ILE  17          HG23      ILE  17   2.469   0.780  -4.559
  958   HD11  ILE  17          HD11      ILE  17   3.650   0.742  -7.766
  959   HD12  ILE  17          HD12      ILE  17   2.927  -0.867  -7.872
  960   HD13  ILE  17          HD13      ILE  17   3.396  -0.210  -6.303
  961    H    LEU  18           HN       LEU  18   0.957   4.739  -5.062
  962    HA   LEU  18           HA       LEU  18  -0.489   4.002  -2.691
  963    HB2  LEU  18           HB2      LEU  18   1.703   5.612  -3.349
  964    HB3  LEU  18           HB1      LEU  18   0.471   6.702  -2.757
  965    HG   LEU  18           HG       LEU  18   0.265   5.122  -0.758
  966   HD11  LEU  18          HD11      LEU  18   1.447   3.233  -1.687
  967   HD12  LEU  18          HD12      LEU  18   2.283   3.828  -0.251
  968   HD13  LEU  18          HD13      LEU  18   2.908   4.205  -1.856
  969   HD21  LEU  18          HD21      LEU  18   2.851   6.626  -1.111
  970   HD22  LEU  18          HD22      LEU  18   2.083   6.197   0.418
  971   HD23  LEU  18          HD23      LEU  18   1.306   7.353  -0.666
  972    H    MET  19           HN       MET  19  -1.012   6.156  -5.426
  973    HA   MET  19           HA       MET  19  -3.079   7.690  -4.211
  974    HB2  MET  19           HB2      MET  19  -1.661   8.132  -6.411
  975    HB3  MET  19           HB1      MET  19  -2.991   7.288  -7.183
  976    HG2  MET  19           HG2      MET  19  -3.099   9.854  -5.625
  977    HG3  MET  19           HG1      MET  19  -3.379   9.616  -7.346
  978    HE1  MET  19           HE1      MET  19  -5.734  11.195  -6.683
  979    HE2  MET  19           HE2      MET  19  -5.026  11.112  -5.069
  980    HE3  MET  19           HE3      MET  19  -6.718  10.680  -5.314
  981    H    LYS  20           HN       LYS  20  -3.145   4.997  -6.524
  982    HA   LYS  20           HA       LYS  20  -5.921   4.553  -6.634
  983    HB2  LYS  20           HB2      LYS  20  -3.956   3.477  -7.953
  984    HB3  LYS  20           HB1      LYS  20  -3.884   2.346  -6.610
  985    HG2  LYS  20           HG2      LYS  20  -6.429   2.851  -8.115
  986    HG3  LYS  20           HG1      LYS  20  -5.236   1.671  -8.659
  987    HD2  LYS  20           HD2      LYS  20  -5.398   0.620  -6.376
  988    HD3  LYS  20           HD1      LYS  20  -6.770   1.685  -6.067
  989    HE2  LYS  20           HE2      LYS  20  -6.570  -0.325  -8.306
  990    HE3  LYS  20           HE1      LYS  20  -7.490  -0.534  -6.816
  991    HZ1  LYS  20           HZ1      LYS  20  -8.931   0.169  -8.596
  992    HZ2  LYS  20           HZ2      LYS  20  -7.971   1.528  -8.899
  993    HZ3  LYS  20           HZ3      LYS  20  -8.825   1.404  -7.445
  994    H    LEU  21           HN       LEU  21  -3.415   3.608  -4.423
  995    HA   LEU  21           HA       LEU  21  -5.000   1.908  -2.820
  996    HB2  LEU  21           HB2      LEU  21  -2.430   2.121  -3.137
  997    HB3  LEU  21           HB1      LEU  21  -2.538   3.354  -1.899
  998    HG   LEU  21           HG       LEU  21  -3.601   1.599  -0.431
  999   HD11  LEU  21          HD11      LEU  21  -2.392  -0.333  -2.387
 1000   HD12  LEU  21          HD12      LEU  21  -4.090   0.130  -2.471
 1001   HD13  LEU  21          HD13      LEU  21  -3.466  -0.665  -1.030
 1002   HD21  LEU  21          HD21      LEU  21  -1.539   1.140   0.411
 1003   HD22  LEU  21          HD22      LEU  21  -1.076   2.395  -0.735
 1004   HD23  LEU  21          HD23      LEU  21  -0.876   0.695  -1.161
 1005    H    LYS  22           HN       LYS  22  -4.104   5.302  -2.554
 1006    HA   LYS  22           HA       LYS  22  -5.101   5.831  -0.006
 1007    HB2  LYS  22           HB2      LYS  22  -3.875   7.583  -0.925
 1008    HB3  LYS  22           HB1      LYS  22  -4.664   7.451  -2.489
 1009    HG2  LYS  22           HG2      LYS  22  -6.469   8.245  -0.337
 1010    HG3  LYS  22           HG1      LYS  22  -5.145   9.378  -0.617
 1011    HD2  LYS  22           HD2      LYS  22  -6.037   8.676  -3.162
 1012    HD3  LYS  22           HD1      LYS  22  -7.507   8.875  -2.206
 1013    HE2  LYS  22           HE2      LYS  22  -6.824  10.970  -3.281
 1014    HE3  LYS  22           HE1      LYS  22  -6.787  11.095  -1.524
 1015    HZ1  LYS  22           HZ1      LYS  22  -4.482  10.778  -3.357
 1016    HZ2  LYS  22           HZ2      LYS  22  -4.359  10.630  -1.676
 1017    HZ3  LYS  22           HZ3      LYS  22  -4.833  12.102  -2.363
 1018    H    GLU  23           HN       GLU  23  -6.596   5.598  -3.131
 1019    HA   GLU  23           HA       GLU  23  -9.212   6.422  -2.403
 1020    HB2  GLU  23           HB2      GLU  23  -8.345   6.384  -4.731
 1021    HB3  GLU  23           HB1      GLU  23  -8.275   4.632  -4.660
 1022    HG2  GLU  23           HG2      GLU  23 -10.422   4.417  -5.139
 1023    HG3  GLU  23           HG1      GLU  23 -10.901   5.680  -4.008
 1024    H    SER  24           HN       SER  24  -7.702   3.194  -2.628
 1025    HA   SER  24           HA       SER  24 -10.005   1.769  -1.971
 1026    HB2  SER  24           HB2      SER  24  -8.609  -0.132  -1.621
 1027    HB3  SER  24           HB1      SER  24  -7.823   0.829  -2.873
 1028    HG   SER  24           HG       SER  24  -7.165   0.919  -0.114
 1029    H    LEU  25           HN       LEU  25  -7.411   2.925   0.196
 1030    HA   LEU  25           HA       LEU  25  -8.525   1.885   2.601
 1031    HB2  LEU  25           HB2      LEU  25  -6.456   3.894   1.890
 1032    HB3  LEU  25           HB1      LEU  25  -7.131   3.958   3.504
 1033    HG   LEU  25           HG       LEU  25  -5.914   1.449   2.361
 1034   HD11  LEU  25          HD11      LEU  25  -4.247   3.248   2.372
 1035   HD12  LEU  25          HD12      LEU  25  -3.888   2.010   3.574
 1036   HD13  LEU  25          HD13      LEU  25  -4.591   3.549   4.076
 1037   HD21  LEU  25          HD21      LEU  25  -6.274   2.277   5.232
 1038   HD22  LEU  25          HD22      LEU  25  -5.870   0.681   4.599
 1039   HD23  LEU  25          HD23      LEU  25  -7.484   1.348   4.345
 1040    H    GLU  26           HN       GLU  26  -8.815   5.050   1.034
 1041    HA   GLU  26           HA       GLU  26 -10.386   6.220   3.078
 1042    HB2  GLU  26           HB2      GLU  26  -9.942   6.892   0.185
 1043    HB3  GLU  26           HB1      GLU  26 -11.082   7.802   1.167
 1044    HG2  GLU  26           HG2      GLU  26  -9.147   8.144   2.790
 1045    HG3  GLU  26           HG1      GLU  26  -8.111   7.572   1.483
 1046    H    LEU  27           HN       LEU  27 -11.235   4.570   0.060
 1047    HA   LEU  27           HA       LEU  27 -14.052   4.899   0.269
 1048    HB2  LEU  27           HB2      LEU  27 -12.257   3.052  -1.260
 1049    HB3  LEU  27           HB1      LEU  27 -13.996   2.827  -1.266
 1050    HG   LEU  27           HG       LEU  27 -12.675   5.413  -2.089
 1051   HD11  LEU  27          HD11      LEU  27 -13.625   3.164  -3.853
 1052   HD12  LEU  27          HD12      LEU  27 -11.939   3.587  -3.551
 1053   HD13  LEU  27          HD13      LEU  27 -12.997   4.722  -4.387
 1054   HD21  LEU  27          HD21      LEU  27 -14.836   5.826  -3.176
 1055   HD22  LEU  27          HD22      LEU  27 -15.005   5.621  -1.433
 1056   HD23  LEU  27          HD23      LEU  27 -15.446   4.306  -2.523
 1057    H    MET  28           HN       MET  28 -11.866   2.445   1.637
 1058    HA   MET  28           HA       MET  28 -13.831   0.616   2.199
 1059    HB2  MET  28           HB2      MET  28 -11.382   0.239   2.576
 1060    HB3  MET  28           HB1      MET  28 -11.497   1.218   4.034
 1061    HG2  MET  28           HG2      MET  28 -13.411  -0.515   4.599
 1062    HG3  MET  28           HG1      MET  28 -12.478  -1.520   3.500
 1063    HE1  MET  28           HE1      MET  28  -9.392  -2.492   5.315
 1064    HE2  MET  28           HE2      MET  28  -9.427  -1.269   4.048
 1065    HE3  MET  28           HE3      MET  28 -10.488  -2.674   3.942
 1066    H    GLU  29           HN       GLU  29 -13.635   3.768   3.473
 1067    HA   GLU  29           HA       GLU  29 -15.046   3.125   5.935
 1068    HB2  GLU  29           HB2      GLU  29 -14.600   5.275   6.606
 1069    HB3  GLU  29           HB1      GLU  29 -13.228   4.960   5.555
 1070    HG2  GLU  29           HG2      GLU  29 -14.484   6.101   3.718
 1071    HG3  GLU  29           HG1      GLU  29 -15.693   6.556   4.916
 1072    H    LEU  30           HN       LEU  30 -15.759   4.025   2.691
 1073    HA   LEU  30           HA       LEU  30 -18.379   5.075   3.409
 1074    HB2  LEU  30           HB2      LEU  30 -18.276   6.266   1.539
 1075    HB3  LEU  30           HB1      LEU  30 -16.592   5.805   1.486
 1076    HG   LEU  30           HG       LEU  30 -18.786   4.332   0.046
 1077   HD11  LEU  30          HD11      LEU  30 -16.800   6.321  -1.043
 1078   HD12  LEU  30          HD12      LEU  30 -18.509   6.652  -0.760
 1079   HD13  LEU  30          HD13      LEU  30 -18.031   5.451  -1.961
 1080   HD21  LEU  30          HD21      LEU  30 -16.884   2.927   0.456
 1081   HD22  LEU  30          HD22      LEU  30 -15.790   4.184  -0.119
 1082   HD23  LEU  30          HD23      LEU  30 -16.897   3.397  -1.243
 1083    H    VAL  31           HN       VAL  31 -17.168   2.147   3.222
 1084    HA   VAL  31           HA       VAL  31 -19.405   0.959   1.751
 1085    HB   VAL  31           HB       VAL  31 -17.456  -0.849   3.017
 1086   HG11  VAL  31          HG11      VAL  31 -19.120  -0.677   0.610
 1087   HG12  VAL  31          HG12      VAL  31 -18.740  -2.058   1.641
 1088   HG13  VAL  31          HG13      VAL  31 -17.587  -1.522   0.421
 1089   HG21  VAL  31          HG21      VAL  31 -15.846   0.777   2.416
 1090   HG22  VAL  31          HG22      VAL  31 -16.618   1.070   0.861
 1091   HG23  VAL  31          HG23      VAL  31 -15.798  -0.461   1.162
 1092    HA   PRO  32           HA       PRO  32 -21.785   0.572   5.499
 1093    HB2  PRO  32           HB2      PRO  32 -22.520  -1.976   4.086
 1094    HB3  PRO  32           HB1      PRO  32 -23.565  -0.831   4.938
 1095    HG2  PRO  32           HG2      PRO  32 -23.377  -0.811   2.268
 1096    HG3  PRO  32           HG1      PRO  32 -23.548   0.690   3.196
 1097    HD2  PRO  32           HD2      PRO  32 -21.196  -0.371   1.756
 1098    HD3  PRO  32           HD1      PRO  32 -21.581   1.302   2.211
 1099    H    GLN  33           HN       GLN  33 -21.058  -0.168   7.401
 1100    HA   GLN  33           HA       GLN  33 -18.852  -1.764   7.763
 1101    HB2  GLN  33           HB2      GLN  33 -19.679  -0.326   9.514
 1102    HB3  GLN  33           HB1      GLN  33 -21.147  -1.281   9.661
 1103    HG2  GLN  33           HG2      GLN  33 -19.782  -1.900  11.468
 1104    HG3  GLN  33           HG1      GLN  33 -19.682  -3.222  10.306
 1105   HE21  GLN  33          HE21      GLN  33 -17.840  -2.456  12.432
 1106   HE22  GLN  33          HE22      GLN  33 -16.315  -2.177  11.669
 1107    HA   PRO  34           HA       PRO  34 -21.830  -5.552   8.807
 1108    HB2  PRO  34           HB2      PRO  34 -24.045  -5.519   7.124
 1109    HB3  PRO  34           HB1      PRO  34 -24.056  -5.124   8.845
 1110    HG2  PRO  34           HG2      PRO  34 -23.950  -3.304   6.480
 1111    HG3  PRO  34           HG1      PRO  34 -24.829  -3.111   8.009
 1112    HD2  PRO  34           HD2      PRO  34 -22.571  -1.768   7.542
 1113    HD3  PRO  34           HD1      PRO  34 -22.927  -2.419   9.156
 1114    H    LEU  35           HN       LEU  35 -21.499  -4.042   5.652
 1115    HA   LEU  35           HA       LEU  35 -21.459  -6.524   4.206
 1116    HB2  LEU  35           HB2      LEU  35 -22.317  -4.438   3.222
 1117    HB3  LEU  35           HB1      LEU  35 -20.736  -3.705   3.388
 1118    HG   LEU  35           HG       LEU  35 -19.824  -5.254   1.753
 1119   HD11  LEU  35          HD11      LEU  35 -21.265  -6.752   0.485
 1120   HD12  LEU  35          HD12      LEU  35 -22.626  -6.325   1.522
 1121   HD13  LEU  35          HD13      LEU  35 -21.240  -7.184   2.194
 1122   HD21  LEU  35          HD21      LEU  35 -22.334  -3.893   0.803
 1123   HD22  LEU  35          HD22      LEU  35 -20.987  -4.405  -0.215
 1124   HD23  LEU  35          HD23      LEU  35 -20.751  -3.138   0.989
 1125    H    VAL  36           HN       VAL  36 -19.146  -4.344   5.643
 1126    HA   VAL  36           HA       VAL  36 -16.818  -5.516   4.394
 1127    HB   VAL  36           HB       VAL  36 -17.102  -3.736   6.833
 1128   HG11  VAL  36          HG11      VAL  36 -14.611  -4.777   5.491
 1129   HG12  VAL  36          HG12      VAL  36 -15.131  -5.069   7.150
 1130   HG13  VAL  36          HG13      VAL  36 -14.634  -3.452   6.654
 1131   HG21  VAL  36          HG21      VAL  36 -17.630  -2.669   4.690
 1132   HG22  VAL  36          HG22      VAL  36 -16.054  -3.156   4.063
 1133   HG23  VAL  36          HG23      VAL  36 -16.156  -2.010   5.399
 1134    H    ASP  37           HN       ASP  37 -18.567  -5.975   7.433
 1135    HA   ASP  37           HA       ASP  37 -16.760  -7.746   8.640
 1136    HB2  ASP  37           HB2      ASP  37 -19.777  -7.583   8.846
 1137    HB3  ASP  37           HB1      ASP  37 -18.772  -8.590   9.884
 1138    H    SER  38           HN       SER  38 -19.507  -8.333   6.424
 1139    HA   SER  38           HA       SER  38 -19.340 -11.116   6.378
 1140    HB2  SER  38           HB2      SER  38 -21.216  -9.867   5.400
 1141    HB3  SER  38           HB1      SER  38 -20.154  -9.252   4.134
 1142    HG   SER  38           HG       SER  38 -21.156 -11.003   3.270
 1143    H    TYR  39           HN       TYR  39 -17.678  -8.721   4.337
 1144    HA   TYR  39           HA       TYR  39 -16.354 -10.542   2.675
 1145    HB2  TYR  39           HB2      TYR  39 -16.219  -8.360   1.899
 1146    HB3  TYR  39           HB1      TYR  39 -15.832  -7.710   3.491
 1147    HD1  TYR  39           HD1      TYR  39 -14.451  -9.598   0.624
 1148    HD2  TYR  39           HD2      TYR  39 -13.590  -7.462   4.199
 1149    HE1  TYR  39           HE1      TYR  39 -12.060  -9.638   0.065
 1150    HE2  TYR  39           HE2      TYR  39 -11.206  -7.502   3.655
 1151    HH   TYR  39           HH       TYR  39  -9.637  -8.812   2.304
 1152    H    ARG  40           HN       ARG  40 -15.379  -9.073   5.743
 1153    HA   ARG  40           HA       ARG  40 -12.799 -10.090   5.918
 1154    HB2  ARG  40           HB2      ARG  40 -14.828  -9.415   8.044
 1155    HB3  ARG  40           HB1      ARG  40 -13.191  -9.927   8.435
 1156    HG2  ARG  40           HG2      ARG  40 -12.309  -8.022   7.164
 1157    HG3  ARG  40           HG1      ARG  40 -13.962  -7.501   6.829
 1158    HD2  ARG  40           HD2      ARG  40 -14.373  -7.251   9.224
 1159    HD3  ARG  40           HD1      ARG  40 -12.729  -7.788   9.567
 1160    HE   ARG  40           HE       ARG  40 -12.570  -5.601   7.846
 1161   HH11  ARG  40          HH11      ARG  40 -13.599  -6.314  11.098
 1162   HH12  ARG  40          HH12      ARG  40 -13.235  -4.730  11.698
 1163   HH21  ARG  40          HH21      ARG  40 -12.091  -3.514   8.626
 1164   HH22  ARG  40          HH22      ARG  40 -12.381  -3.138  10.292
 1165    H    GLN  41           HN       GLN  41 -15.881 -11.611   6.646
 1166    HA   GLN  41           HA       GLN  41 -14.874 -13.940   7.907
 1167    HB2  GLN  41           HB2      GLN  41 -17.266 -13.251   7.930
 1168    HB3  GLN  41           HB1      GLN  41 -17.370 -13.652   6.222
 1169    HG2  GLN  41           HG2      GLN  41 -18.219 -15.545   7.171
 1170    HG3  GLN  41           HG1      GLN  41 -16.521 -15.984   7.008
 1171   HE21  GLN  41          HE21      GLN  41 -15.732 -14.226   9.236
 1172   HE22  GLN  41          HE22      GLN  41 -16.217 -15.050  10.673
 1173    H    GLN  42           HN       GLN  42 -15.726 -13.266   4.522
 1174    HA   GLN  42           HA       GLN  42 -14.989 -15.764   3.482
 1175    HB2  GLN  42           HB2      GLN  42 -16.300 -13.978   2.291
 1176    HB3  GLN  42           HB1      GLN  42 -14.790 -13.108   2.053
 1177    HG2  GLN  42           HG2      GLN  42 -15.299 -14.304   0.056
 1178    HG3  GLN  42           HG1      GLN  42 -13.911 -15.070   0.826
 1179   HE21  GLN  42          HE21      GLN  42 -17.278 -15.372   0.026
 1180   HE22  GLN  42          HE22      GLN  42 -17.414 -17.063   0.351
 1181    H    GLN  43           HN       GLN  43 -13.120 -13.058   4.513
 1182    HA   GLN  43           HA       GLN  43 -10.704 -13.776   3.124
 1183    HB2  GLN  43           HB2      GLN  43 -11.260 -11.445   3.777
 1184    HB3  GLN  43           HB1      GLN  43 -11.127 -11.907   5.467
 1185    HG2  GLN  43           HG2      GLN  43  -8.758 -12.492   5.075
 1186    HG3  GLN  43           HG1      GLN  43  -8.922 -11.897   3.422
 1187   HE21  GLN  43          HE21      GLN  43  -8.836 -11.025   6.790
 1188   HE22  GLN  43          HE22      GLN  43  -8.586  -9.332   6.553
 1189    H    GLN  44           HN       GLN  44 -11.830 -13.956   6.495
 1190    HA   GLN  44           HA       GLN  44  -9.574 -15.174   7.590
 1191    HB2  GLN  44           HB2      GLN  44 -12.435 -14.957   8.357
 1192    HB3  GLN  44           HB1      GLN  44 -11.499 -16.221   9.144
 1193    HG2  GLN  44           HG2      GLN  44 -11.479 -14.250  10.507
 1194    HG3  GLN  44           HG1      GLN  44  -9.863 -14.525   9.859
 1195   HE21  GLN  44          HE21      GLN  44  -9.072 -13.144   8.244
 1196   HE22  GLN  44          HE22      GLN  44  -9.758 -11.581   7.975
 1197    H    LEU  45           HN       LEU  45 -11.999 -16.393   5.509
 1198    HA   LEU  45           HA       LEU  45 -12.043 -19.104   6.068
 1199    HB2  LEU  45           HB2      LEU  45 -13.561 -18.271   4.465
 1200    HB3  LEU  45           HB1      LEU  45 -12.283 -17.559   3.502
 1201    HG   LEU  45           HG       LEU  45 -11.609 -20.184   3.349
 1202   HD11  LEU  45          HD11      LEU  45 -14.620 -20.103   3.390
 1203   HD12  LEU  45          HD12      LEU  45 -13.599 -20.863   4.610
 1204   HD13  LEU  45          HD13      LEU  45 -13.613 -21.486   2.960
 1205   HD21  LEU  45          HD21      LEU  45 -11.716 -18.723   1.454
 1206   HD22  LEU  45          HD22      LEU  45 -13.472 -18.604   1.587
 1207   HD23  LEU  45          HD23      LEU  45 -12.725 -20.133   1.124
 1208    H    LEU  46           HN       LEU  46  -9.789 -17.336   3.933
 1209    HA   LEU  46           HA       LEU  46  -8.047 -19.698   4.042
 1210    HB2  LEU  46           HB2      LEU  46  -8.424 -17.743   1.784
 1211    HB3  LEU  46           HB1      LEU  46  -7.181 -18.983   1.817
 1212    HG   LEU  46           HG       LEU  46 -10.120 -19.602   2.012
 1213   HD11  LEU  46          HD11      LEU  46 -10.044 -20.230  -0.330
 1214   HD12  LEU  46          HD12      LEU  46  -8.378 -19.666  -0.438
 1215   HD13  LEU  46          HD13      LEU  46  -9.683 -18.517  -0.124
 1216   HD21  LEU  46          HD21      LEU  46  -8.626 -21.315   2.889
 1217   HD22  LEU  46          HD22      LEU  46  -7.726 -21.312   1.372
 1218   HD23  LEU  46          HD23      LEU  46  -9.404 -21.855   1.401
 1219    H    GLN  47           HN       GLN  47  -7.451 -16.350   2.938
 1220    HA   GLN  47           HA       GLN  47  -5.810 -14.853   3.504
 1221    HB2  GLN  47           HB2      GLN  47  -6.962 -15.520   5.845
 1222    HB3  GLN  47           HB1      GLN  47  -5.337 -16.110   6.156
 1223    HG2  GLN  47           HG2      GLN  47  -6.056 -13.300   5.351
 1224    HG3  GLN  47           HG1      GLN  47  -5.667 -13.838   6.983
 1225   HE21  GLN  47          HE21      GLN  47  -4.429 -13.105   3.831
 1226   HE22  GLN  47          HE22      GLN  47  -2.756 -13.101   4.264
 1227    H    ARG  48           HN       ARG  48  -5.266 -17.781   2.637
 1228    HA   ARG  48           HA       ARG  48  -2.370 -17.547   2.817
 1229    HB2  ARG  48           HB2      ARG  48  -3.915 -19.953   3.779
 1230    HB3  ARG  48           HB1      ARG  48  -2.207 -20.015   3.369
 1231    HG2  ARG  48           HG2      ARG  48  -1.721 -18.367   5.086
 1232    HG3  ARG  48           HG1      ARG  48  -3.437 -18.271   5.487
 1233    HD2  ARG  48           HD2      ARG  48  -1.685 -20.715   5.727
 1234    HD3  ARG  48           HD1      ARG  48  -2.245 -19.705   7.059
 1235    HE   ARG  48           HE       ARG  48  -4.406 -20.733   5.504
 1236   HH11  ARG  48          HH11      ARG  48  -2.136 -21.523   8.028
 1237   HH12  ARG  48          HH12      ARG  48  -3.152 -22.732   8.739
 1238   HH21  ARG  48          HH21      ARG  48  -5.748 -22.324   6.435
 1239   HH22  ARG  48          HH22      ARG  48  -5.203 -23.188   7.833
 1240    H    ASP   1           HT1      ASP   1   7.657  14.722 -15.716
 1241    HA   ASP   1           HA       ASP   1   6.590  15.836 -13.881
 1242    HB2  ASP   1           HB2      ASP   1   4.657  16.688 -15.169
 1243    HB3  ASP   1           HB1      ASP   1   4.019  15.050 -15.275
 1244    H    GLU   2           HN       GLU   2   7.480  14.291 -12.638
 1245    HA   GLU   2           HA       GLU   2   5.885  12.043 -11.875
 1246    HB2  GLU   2           HB2      GLU   2   7.481  10.287 -12.492
 1247    HB3  GLU   2           HB1      GLU   2   6.867  11.115 -13.916
 1248    HG2  GLU   2           HG2      GLU   2   8.920  12.419 -14.055
 1249    HG3  GLU   2           HG1      GLU   2   9.536  11.611 -12.614
 1250    H    ASP   3           HN       ASP   3   7.469  14.436 -10.878
 1251    HA   ASP   3           HA       ASP   3   9.463  13.244  -9.163
 1252    HB2  ASP   3           HB2      ASP   3   9.724  15.544  -8.271
 1253    HB3  ASP   3           HB1      ASP   3   9.865  15.482 -10.024
 1254    H    THR   4           HN       THR   4   8.666  15.188  -6.937
 1255    HA   THR   4           HA       THR   4   7.145  13.293  -5.460
 1256    HB   THR   4           HB       THR   4   7.246  15.975  -4.324
 1257    HG1  THR   4           HG1      THR   4   9.663  15.431  -3.947
 1258   HG21  THR   4          HG21      THR   4   6.692  14.047  -2.971
 1259   HG22  THR   4          HG22      THR   4   8.230  14.717  -2.425
 1260   HG23  THR   4          HG23      THR   4   8.207  13.262  -3.423
 1261    H    TYR   5           HN       TYR   5   5.117  13.382  -4.728
 1262    HA   TYR   5           HA       TYR   5   3.290  15.252  -6.082
 1263    HB2  TYR   5           HB2      TYR   5   3.095  12.292  -5.703
 1264    HB3  TYR   5           HB1      TYR   5   1.692  13.296  -6.062
 1265    HD1  TYR   5           HD1      TYR   5   1.721  14.683  -8.184
 1266    HD2  TYR   5           HD2      TYR   5   4.534  11.587  -7.416
 1267    HE1  TYR   5           HE1      TYR   5   2.240  14.568 -10.582
 1268    HE2  TYR   5           HE2      TYR   5   5.061  11.460  -9.813
 1269    HH   TYR   5           HH       TYR   5   4.212  12.052 -11.922
 1270    H    TYR   6           HN       TYR   6   1.164  15.475  -4.824
 1271    HA   TYR   6           HA       TYR   6   1.581  14.775  -2.001
 1272    HB2  TYR   6           HB2      TYR   6  -0.311  16.918  -2.995
 1273    HB3  TYR   6           HB1      TYR   6   0.285  16.680  -1.358
 1274    HD1  TYR   6           HD2      TYR   6   3.202  16.258  -2.036
 1275    HD2  TYR   6           HD1      TYR   6   0.389  19.153  -3.373
 1276    HE1  TYR   6           HE2      TYR   6   5.039  17.827  -2.451
 1277    HE2  TYR   6           HE1      TYR   6   2.220  20.738  -3.804
 1278    HH   TYR   6           HH       TYR   6   5.482  19.812  -3.848
 1279    H    LEU   7           HN       LEU   7   0.301  13.418  -1.067
 1280    HA   LEU   7           HA       LEU   7  -2.090  12.454  -2.510
 1281    HB2  LEU   7           HB2      LEU   7   0.195  11.158  -1.708
 1282    HB3  LEU   7           HB1      LEU   7  -0.884  10.853  -0.377
 1283    HG   LEU   7           HG       LEU   7  -2.152   9.393  -1.557
 1284   HD11  LEU   7          HD11      LEU   7  -1.684   9.596  -4.274
 1285   HD12  LEU   7          HD12      LEU   7  -1.906  11.259  -3.721
 1286   HD13  LEU   7          HD13      LEU   7  -3.149  10.053  -3.407
 1287   HD21  LEU   7          HD21      LEU   7   0.203   8.681  -1.469
 1288   HD22  LEU   7          HD22      LEU   7   0.405   9.283  -3.116
 1289   HD23  LEU   7          HD23      LEU   7  -0.710   7.952  -2.793
 1290    H    GLN   8           HN       GLN   8  -3.832  13.492  -1.561
 1291    HA   GLN   8           HA       GLN   8  -3.831  13.968   1.228
 1292    HB2  GLN   8           HB2      GLN   8  -5.074  15.135  -0.848
 1293    HB3  GLN   8           HB1      GLN   8  -6.371  14.104  -0.275
 1294    HG2  GLN   8           HG2      GLN   8  -5.773  15.139   2.039
 1295    HG3  GLN   8           HG1      GLN   8  -5.063  16.410   1.043
 1296   HE21  GLN   8          HE21      GLN   8  -6.545  17.949   1.618
 1297   HE22  GLN   8          HE22      GLN   8  -8.195  17.898   1.115
 1298    H    VAL   9           HN       VAL   9  -4.159  12.504   2.698
 1299    HA   VAL   9           HA       VAL   9  -5.985  10.320   2.046
 1300    HB   VAL   9           HB       VAL   9  -3.376  10.250   3.530
 1301   HG11  VAL   9          HG11      VAL   9  -3.966   7.900   4.197
 1302   HG12  VAL   9          HG12      VAL   9  -5.642   8.300   3.816
 1303   HG13  VAL   9          HG13      VAL   9  -4.792   9.179   5.086
 1304   HG21  VAL   9          HG21      VAL   9  -2.942   8.349   2.071
 1305   HG22  VAL   9          HG22      VAL   9  -3.383   9.782   1.141
 1306   HG23  VAL   9          HG23      VAL   9  -4.562   8.494   1.390
 1307    H    ARG  10           HN       ARG  10  -7.676  10.007   3.384
 1308    HA   ARG  10           HA       ARG  10  -7.809  11.770   5.730
 1309    HB2  ARG  10           HB2      ARG  10  -9.592  11.797   3.847
 1310    HB3  ARG  10           HB1      ARG  10 -10.148  10.281   4.542
 1311    HG2  ARG  10           HG2      ARG  10  -9.838  12.696   6.272
 1312    HG3  ARG  10           HG1      ARG  10 -11.262  12.507   5.248
 1313    HD2  ARG  10           HD2      ARG  10 -11.710  10.332   6.303
 1314    HD3  ARG  10           HD1      ARG  10 -10.308  10.559   7.345
 1315    HE   ARG  10           HE       ARG  10 -11.938  12.775   7.692
 1316   HH11  ARG  10          HH11      ARG  10 -12.112   9.333   8.209
 1317   HH12  ARG  10          HH12      ARG  10 -13.205   9.460   9.546
 1318   HH21  ARG  10          HH21      ARG  10 -13.376  12.951   9.453
 1319   HH22  ARG  10          HH22      ARG  10 -13.924  11.515  10.253
 1320    H    GLY  11           HN       GLY  11  -8.161  11.037   7.736
 1321    HA2  GLY  11           HA2      GLY  11  -8.641   9.432   9.398
 1322    HA3  GLY  11           HA1      GLY  11  -8.657   8.185   8.158
 1323    H    ARG  12           HN       ARG  12  -7.057   9.130  10.795
 1324    HA   ARG  12           HA       ARG  12  -4.357   9.162  10.191
 1325    HB2  ARG  12           HB2      ARG  12  -5.544   9.498  12.455
 1326    HB3  ARG  12           HB1      ARG  12  -5.415   7.752  12.626
 1327    HG2  ARG  12           HG2      ARG  12  -3.568   8.678  13.759
 1328    HG3  ARG  12           HG1      ARG  12  -2.945   8.008  12.251
 1329    HD2  ARG  12           HD2      ARG  12  -3.068  10.276  11.254
 1330    HD3  ARG  12           HD1      ARG  12  -3.545  10.904  12.831
 1331    HE   ARG  12           HE       ARG  12  -1.001   9.466  12.550
 1332   HH11  ARG  12          HH11      ARG  12  -2.755  12.400  13.228
 1333   HH12  ARG  12          HH12      ARG  12  -1.375  13.229  13.865
 1334   HH21  ARG  12          HH21      ARG  12   0.819  10.550  13.389
 1335   HH22  ARG  12          HH22      ARG  12   0.657  12.179  13.954
 1336    H    GLU  13           HN       GLU  13  -6.327   6.231  10.835
 1337    HA   GLU  13           HA       GLU  13  -4.286   4.396  10.747
 1338    HB2  GLU  13           HB2      GLU  13  -6.721   3.983  11.275
 1339    HB3  GLU  13           HB1      GLU  13  -7.010   3.932   9.541
 1340    HG2  GLU  13           HG2      GLU  13  -6.805   1.701  10.229
 1341    HG3  GLU  13           HG1      GLU  13  -5.287   2.105   9.430
 1342    H    ASN  14           HN       ASN  14  -6.137   5.691   8.016
 1343    HA   ASN  14           HA       ASN  14  -4.916   4.145   5.979
 1344    HB2  ASN  14           HB2      ASN  14  -7.058   5.296   5.673
 1345    HB3  ASN  14           HB1      ASN  14  -6.271   6.855   5.885
 1346   HD21  ASN  14          HD21      ASN  14  -7.784   6.371   3.691
 1347   HD22  ASN  14          HD22      ASN  14  -6.781   6.263   2.288
 1348    H    PHE  15           HN       PHE  15  -4.321   7.405   7.215
 1349    HA   PHE  15           HA       PHE  15  -2.274   8.160   5.483
 1350    HB2  PHE  15           HB2      PHE  15  -3.477   9.685   7.024
 1351    HB3  PHE  15           HB1      PHE  15  -2.598   8.975   8.375
 1352    HD1  PHE  15           HD1      PHE  15  -1.413   9.961   4.976
 1353    HD2  PHE  15           HD2      PHE  15  -1.220  10.640   9.183
 1354    HE1  PHE  15           HE1      PHE  15   0.396  11.572   4.628
 1355    HE2  PHE  15           HE2      PHE  15   0.622  12.251   8.823
 1356    HZ   PHE  15           HZ       PHE  15   1.420  12.710   6.536
 1357    H    GLU  16           HN       GLU  16  -2.042   6.559   8.664
 1358    HA   GLU  16           HA       GLU  16   0.792   6.424   8.769
 1359    HB2  GLU  16           HB2      GLU  16  -1.314   4.679  10.056
 1360    HB3  GLU  16           HB1      GLU  16   0.400   4.627  10.443
 1361    HG2  GLU  16           HG2      GLU  16   0.285   6.979  11.156
 1362    HG3  GLU  16           HG1      GLU  16  -1.447   6.971  10.829
 1363    H    ILE  17           HN       ILE  17  -1.578   4.008   7.598
 1364    HA   ILE  17           HA       ILE  17   0.378   2.060   7.007
 1365    HB   ILE  17           HB       ILE  17  -2.456   2.452   6.356
 1366   HG12  ILE  17          HG12      ILE  17  -0.975  -0.131   6.735
 1367   HG13  ILE  17          HG11      ILE  17  -1.274   0.932   8.104
 1368   HG21  ILE  17          HG21      ILE  17  -0.708   0.790   4.545
 1369   HG22  ILE  17          HG22      ILE  17  -1.612   2.236   4.083
 1370   HG23  ILE  17          HG23      ILE  17  -2.472   0.773   4.563
 1371   HD11  ILE  17          HD11      ILE  17  -3.652   0.735   7.772
 1372   HD12  ILE  17          HD12      ILE  17  -2.925  -0.873   7.879
 1373   HD13  ILE  17          HD13      ILE  17  -3.396  -0.217   6.309
 1374    H    LEU  18           HN       LEU  18  -0.969   4.737   5.066
 1375    HA   LEU  18           HA       LEU  18   0.478   4.003   2.694
 1376    HB2  LEU  18           HB2      LEU  18  -1.718   5.609   3.352
 1377    HB3  LEU  18           HB1      LEU  18  -0.488   6.701   2.760
 1378    HG   LEU  18           HG       LEU  18  -0.278   5.122   0.762
 1379   HD11  LEU  18          HD11      LEU  18  -1.455   3.228   1.692
 1380   HD12  LEU  18          HD12      LEU  18  -2.292   3.821   0.256
 1381   HD13  LEU  18          HD13      LEU  18  -2.918   4.197   1.860
 1382   HD21  LEU  18          HD21      LEU  18  -2.868   6.619   1.115
 1383   HD22  LEU  18          HD22      LEU  18  -2.099   6.190  -0.414
 1384   HD23  LEU  18          HD23      LEU  18  -1.325   7.349   0.669
 1385    H    MET  19           HN       MET  19   0.997   6.158   5.430
 1386    HA   MET  19           HA       MET  19   3.060   7.699   4.214
 1387    HB2  MET  19           HB2      MET  19   1.642   8.137   6.416
 1388    HB3  MET  19           HB1      MET  19   2.976   7.296   7.185
 1389    HG2  MET  19           HG2      MET  19   3.074   9.862   5.627
 1390    HG3  MET  19           HG1      MET  19   3.356   9.626   7.347
 1391    HE1  MET  19           HE1      MET  19   5.707  11.211   6.684
 1392    HE2  MET  19           HE2      MET  19   5.000  11.126   5.070
 1393    HE3  MET  19           HE3      MET  19   6.692  10.698   5.315
 1394    H    LYS  20           HN       LYS  20   3.132   5.007   6.527
 1395    HA   LYS  20           HA       LYS  20   5.909   4.569   6.638
 1396    HB2  LYS  20           HB2      LYS  20   3.947   3.488   7.956
 1397    HB3  LYS  20           HB1      LYS  20   3.878   2.357   6.614
 1398    HG2  LYS  20           HG2      LYS  20   6.421   2.870   8.119
 1399    HG3  LYS  20           HG1      LYS  20   5.231   1.687   8.663
 1400    HD2  LYS  20           HD2      LYS  20   5.397   0.634   6.382
 1401    HD3  LYS  20           HD1      LYS  20   6.766   1.703   6.071
 1402    HE2  LYS  20           HE2      LYS  20   6.571  -0.306   8.311
 1403    HE3  LYS  20           HE1      LYS  20   7.491  -0.513   6.822
 1404    HZ1  LYS  20           HZ1      LYS  20   8.931   0.193   8.601
 1405    HZ2  LYS  20           HZ2      LYS  20   7.968   1.550   8.904
 1406    HZ3  LYS  20           HZ3      LYS  20   8.822   1.428   7.449
 1407    H    LEU  21           HN       LEU  21   3.406   3.617   4.426
 1408    HA   LEU  21           HA       LEU  21   4.995   1.920   2.824
 1409    HB2  LEU  21           HB2      LEU  21   2.425   2.127   3.141
 1410    HB3  LEU  21           HB1      LEU  21   2.530   3.359   1.902
 1411    HG   LEU  21           HG       LEU  21   3.596   1.607   0.435
 1412   HD11  LEU  21          HD11      LEU  21   2.393  -0.328   2.392
 1413   HD12  LEU  21          HD12      LEU  21   4.091   0.138   2.475
 1414   HD13  LEU  21          HD13      LEU  21   3.466  -0.658   1.035
 1415   HD21  LEU  21          HD21      LEU  21   1.535   1.142  -0.405
 1416   HD22  LEU  21          HD22      LEU  21   1.070   2.397   0.741
 1417   HD23  LEU  21          HD23      LEU  21   0.874   0.696   1.167
 1418    H    LYS  22           HN       LYS  22   4.090   5.311   2.555
 1419    HA   LYS  22           HA       LYS  22   5.086   5.842   0.008
 1420    HB2  LYS  22           HB2      LYS  22   3.857   7.591   0.929
 1421    HB3  LYS  22           HB1      LYS  22   4.647   7.461   2.491
 1422    HG2  LYS  22           HG2      LYS  22   6.450   8.259   0.340
 1423    HG3  LYS  22           HG1      LYS  22   5.122   9.389   0.618
 1424    HD2  LYS  22           HD2      LYS  22   6.017   8.691   3.164
 1425    HD3  LYS  22           HD1      LYS  22   7.486   8.894   2.207
 1426    HE2  LYS  22           HE2      LYS  22   6.798  10.988   3.280
 1427    HE3  LYS  22           HE1      LYS  22   6.759  11.111   1.523
 1428    HZ1  LYS  22           HZ1      LYS  22   4.455  10.789   3.357
 1429    HZ2  LYS  22           HZ2      LYS  22   4.333  10.640   1.677
 1430    HZ3  LYS  22           HZ3      LYS  22   4.803  12.114   2.363
 1431    H    GLU  23           HN       GLU  23   6.582   5.614   3.133
 1432    HA   GLU  23           HA       GLU  23   9.197   6.444   2.405
 1433    HB2  GLU  23           HB2      GLU  23   8.330   6.405   4.731
 1434    HB3  GLU  23           HB1      GLU  23   8.263   4.654   4.662
 1435    HG2  GLU  23           HG2      GLU  23  10.410   4.442   5.141
 1436    HG3  GLU  23           HG1      GLU  23  10.887   5.706   4.010
 1437    H    SER  24           HN       SER  24   7.695   3.212   2.631
 1438    HA   SER  24           HA       SER  24  10.001   1.793   1.974
 1439    HB2  SER  24           HB2      SER  24   8.608  -0.111   1.625
 1440    HB3  SER  24           HB1      SER  24   7.821   0.847   2.877
 1441    HG   SER  24           HG       SER  24   7.162   0.935   0.119
 1442    H    LEU  25           HN       LEU  25   7.403   2.942  -0.193
 1443    HA   LEU  25           HA       LEU  25   8.519   1.905  -2.597
 1444    HB2  LEU  25           HB2      LEU  25   6.445   3.908  -1.886
 1445    HB3  LEU  25           HB1      LEU  25   7.120   3.974  -3.501
 1446    HG   LEU  25           HG       LEU  25   5.911   1.461  -2.357
 1447   HD11  LEU  25          HD11      LEU  25   4.238   3.255  -2.368
 1448   HD12  LEU  25          HD12      LEU  25   3.882   2.016  -3.570
 1449   HD13  LEU  25          HD13      LEU  25   4.581   3.558  -4.072
 1450   HD21  LEU  25          HD21      LEU  25   6.268   2.290  -5.228
 1451   HD22  LEU  25          HD22      LEU  25   5.869   0.693  -4.594
 1452   HD23  LEU  25          HD23      LEU  25   7.481   1.365  -4.340
 1453    H    GLU  26           HN       GLU  26   8.802   5.071  -1.031
 1454    HA   GLU  26           HA       GLU  26  10.369   6.244  -3.076
 1455    HB2  GLU  26           HB2      GLU  26   9.924   6.916  -0.182
 1456    HB3  GLU  26           HB1      GLU  26  11.062   7.827  -1.165
 1457    HG2  GLU  26           HG2      GLU  26   9.127   8.164  -2.789
 1458    HG3  GLU  26           HG1      GLU  26   8.092   7.590  -1.482
 1459    H    LEU  27           HN       LEU  27  11.223   4.595  -0.059
 1460    HA   LEU  27           HA       LEU  27  14.040   4.931  -0.267
 1461    HB2  LEU  27           HB2      LEU  27  12.251   3.080   1.262
 1462    HB3  LEU  27           HB1      LEU  27  13.991   2.861   1.268
 1463    HG   LEU  27           HG       LEU  27  12.661   5.442   2.090
 1464   HD11  LEU  27          HD11      LEU  27  13.616   3.196   3.857
 1465   HD12  LEU  27          HD12      LEU  27  11.930   3.616   3.554
 1466   HD13  LEU  27          HD13      LEU  27  12.985   4.754   4.389
 1467   HD21  LEU  27          HD21      LEU  27  14.821   5.862   3.177
 1468   HD22  LEU  27          HD22      LEU  27  14.990   5.657   1.434
 1469   HD23  LEU  27          HD23      LEU  27  15.435   4.343   2.524
 1470    H    MET  28           HN       MET  28  11.860   2.472  -1.633
 1471    HA   MET  28           HA       MET  28  13.830   0.647  -2.196
 1472    HB2  MET  28           HB2      MET  28  11.382   0.265  -2.573
 1473    HB3  MET  28           HB1      MET  28  11.493   1.244  -4.031
 1474    HG2  MET  28           HG2      MET  28  13.412  -0.485  -4.594
 1475    HG3  MET  28           HG1      MET  28  12.480  -1.493  -3.497
 1476    HE1  MET  28           HE1      MET  28   9.398  -2.470  -5.315
 1477    HE2  MET  28           HE2      MET  28   9.429  -1.247  -4.048
 1478    HE3  MET  28           HE3      MET  28  10.493  -2.650  -3.941
 1479    H    GLU  29           HN       GLU  29  13.625   3.798  -3.469
 1480    HA   GLU  29           HA       GLU  29  15.037   3.159  -5.932
 1481    HB2  GLU  29           HB2      GLU  29  14.587   5.307  -6.605
 1482    HB3  GLU  29           HB1      GLU  29  13.216   4.989  -5.554
 1483    HG2  GLU  29           HG2      GLU  29  14.469   6.135  -3.717
 1484    HG3  GLU  29           HG1      GLU  29  15.677   6.593  -4.915
 1485    H    LEU  30           HN       LEU  30  15.750   4.058  -2.688
 1486    HA   LEU  30           HA       LEU  30  18.365   5.117  -3.408
 1487    HB2  LEU  30           HB2      LEU  30  18.260   6.310  -1.539
 1488    HB3  LEU  30           HB1      LEU  30  16.577   5.844  -1.485
 1489    HG   LEU  30           HG       LEU  30  18.776   4.378  -0.044
 1490   HD11  LEU  30          HD11      LEU  30  16.784   6.363   1.045
 1491   HD12  LEU  30          HD12      LEU  30  18.492   6.697   0.762
 1492   HD13  LEU  30          HD13      LEU  30  18.017   5.495   1.963
 1493   HD21  LEU  30          HD21      LEU  30  16.877   2.967  -0.453
 1494   HD22  LEU  30          HD22      LEU  30  15.780   4.221   0.123
 1495   HD23  LEU  30          HD23      LEU  30  16.890   3.438   1.246
 1496    H    VAL  31           HN       VAL  31  17.163   2.186  -3.220
 1497    HA   VAL  31           HA       VAL  31  19.401   1.004  -1.747
 1498    HB   VAL  31           HB       VAL  31  17.458  -0.808  -3.015
 1499   HG11  VAL  31          HG11      VAL  31  19.122  -0.633  -0.608
 1500   HG12  VAL  31          HG12      VAL  31  18.745  -2.014  -1.639
 1501   HG13  VAL  31          HG13      VAL  31  17.591  -1.481  -0.418
 1502   HG21  VAL  31          HG21      VAL  31  15.843   0.813  -2.414
 1503   HG22  VAL  31          HG22      VAL  31  16.615   1.109  -0.859
 1504   HG23  VAL  31          HG23      VAL  31  15.798  -0.424  -1.159
 1505    HA   PRO  32           HA       PRO  32  21.781   0.624  -5.496
 1506    HB2  PRO  32           HB2      PRO  32  22.524  -1.922  -4.082
 1507    HB3  PRO  32           HB1      PRO  32  23.566  -0.775  -4.934
 1508    HG2  PRO  32           HG2      PRO  32  23.377  -0.755  -2.265
 1509    HG3  PRO  32           HG1      PRO  32  23.546   0.745  -3.192
 1510    HD2  PRO  32           HD2      PRO  32  21.196  -0.320  -1.753
 1511    HD3  PRO  32           HD1      PRO  32  21.577   1.353  -2.208
 1512    H    GLN  33           HN       GLN  33  21.057  -0.120  -7.397
 1513    HA   GLN  33           HA       GLN  33  18.856  -1.721  -7.759
 1514    HB2  GLN  33           HB2      GLN  33  19.679  -0.282  -9.511
 1515    HB3  GLN  33           HB1      GLN  33  21.150  -1.233  -9.657
 1516    HG2  GLN  33           HG2      GLN  33  19.786  -1.858 -11.463
 1517    HG3  GLN  33           HG1      GLN  33  19.690  -3.179 -10.300
 1518   HE21  GLN  33          HE21      GLN  33  17.845  -2.418 -12.427
 1519   HE22  GLN  33          HE22      GLN  33  16.319  -2.143 -11.664
 1520    HA   PRO  34           HA       PRO  34  21.843  -5.503  -8.801
 1521    HB2  PRO  34           HB2      PRO  34  24.058  -5.464  -7.118
 1522    HB3  PRO  34           HB1      PRO  34  24.068  -5.070  -8.838
 1523    HG2  PRO  34           HG2      PRO  34  23.957  -3.248  -6.475
 1524    HG3  PRO  34           HG1      PRO  34  24.836  -3.054  -8.003
 1525    HD2  PRO  34           HD2      PRO  34  22.575  -1.717  -7.538
 1526    HD3  PRO  34           HD1      PRO  34  22.933  -2.368  -9.151
 1527    H    LEU  35           HN       LEU  35  21.510  -3.992  -5.648
 1528    HA   LEU  35           HA       LEU  35  21.474  -6.474  -4.200
 1529    HB2  LEU  35           HB2      LEU  35  22.327  -4.385  -3.217
 1530    HB3  LEU  35           HB1      LEU  35  20.744  -3.655  -3.382
 1531    HG   LEU  35           HG       LEU  35  19.837  -5.207  -1.747
 1532   HD11  LEU  35          HD11      LEU  35  21.283  -6.702  -0.480
 1533   HD12  LEU  35          HD12      LEU  35  22.642  -6.271  -1.518
 1534   HD13  LEU  35          HD13      LEU  35  21.258  -7.134  -2.189
 1535   HD21  LEU  35          HD21      LEU  35  22.343  -3.840  -0.798
 1536   HD22  LEU  35          HD22      LEU  35  20.999  -4.355   0.220
 1537   HD23  LEU  35          HD23      LEU  35  20.759  -3.089  -0.984
 1538    H    VAL  36           HN       VAL  36  19.155  -4.300  -5.637
 1539    HA   VAL  36           HA       VAL  36  16.832  -5.477  -4.388
 1540    HB   VAL  36           HB       VAL  36  17.111  -3.699  -6.828
 1541   HG11  VAL  36          HG11      VAL  36  14.622  -4.744  -5.485
 1542   HG12  VAL  36          HG12      VAL  36  15.143  -5.036  -7.145
 1543   HG13  VAL  36          HG13      VAL  36  14.643  -3.419  -6.648
 1544   HG21  VAL  36          HG21      VAL  36  17.637  -2.629  -4.685
 1545   HG22  VAL  36          HG22      VAL  36  16.063  -3.120  -4.057
 1546   HG23  VAL  36          HG23      VAL  36  16.161  -1.973  -5.394
 1547    H    ASP  37           HN       ASP  37  18.581  -5.934  -7.426
 1548    HA   ASP  37           HA       ASP  37  16.778  -7.709  -8.632
 1549    HB2  ASP  37           HB2      ASP  37  19.794  -7.539  -8.839
 1550    HB3  ASP  37           HB1      ASP  37  18.792  -8.550  -9.876
 1551    H    SER  38           HN       SER  38  19.527  -8.290  -6.416
 1552    HA   SER  38           HA       SER  38  19.367 -11.073  -6.370
 1553    HB2  SER  38           HB2      SER  38  21.241  -9.819  -5.392
 1554    HB3  SER  38           HB1      SER  38  20.176  -9.206  -4.126
 1555    HG   SER  38           HG       SER  38  21.184 -10.954  -3.261
 1556    H    TYR  39           HN       TYR  39  17.699  -8.680  -4.330
 1557    HA   TYR  39           HA       TYR  39  16.380 -10.505  -2.666
 1558    HB2  TYR  39           HB2      TYR  39  16.239  -8.323  -1.890
 1559    HB3  TYR  39           HB1      TYR  39  15.851  -7.673  -3.482
 1560    HD1  TYR  39           HD1      TYR  39  14.474  -9.564  -0.616
 1561    HD2  TYR  39           HD2      TYR  39  13.607  -7.430  -4.190
 1562    HE1  TYR  39           HE1      TYR  39  12.084  -9.610  -0.057
 1563    HE2  TYR  39           HE2      TYR  39  11.224  -7.476  -3.647
 1564    HH   TYR  39           HH       TYR  39   9.658  -8.790  -2.295
 1565    H    ARG  40           HN       ARG  40  15.400  -9.039  -5.734
 1566    HA   ARG  40           HA       ARG  40  12.824 -10.063  -5.909
 1567    HB2  ARG  40           HB2      ARG  40  14.851  -9.382  -8.034
 1568    HB3  ARG  40           HB1      ARG  40  13.216  -9.899  -8.427
 1569    HG2  ARG  40           HG2      ARG  40  12.328  -7.995  -7.156
 1570    HG3  ARG  40           HG1      ARG  40  13.980  -7.470  -6.821
 1571    HD2  ARG  40           HD2      ARG  40  14.390  -7.221  -9.217
 1572    HD3  ARG  40           HD1      ARG  40  12.748  -7.763  -9.560
 1573    HE   ARG  40           HE       ARG  40  12.582  -5.575  -7.841
 1574   HH11  ARG  40          HH11      ARG  40  13.611  -6.287 -11.093
 1575   HH12  ARG  40          HH12      ARG  40  13.246  -4.703 -11.691
 1576   HH21  ARG  40          HH21      ARG  40  12.098  -3.488  -8.620
 1577   HH22  ARG  40          HH22      ARG  40  12.386  -3.112 -10.286
 1578    H    GLN  41           HN       GLN  41  15.909 -11.577  -6.636
 1579    HA   GLN  41           HA       GLN  41  14.907 -13.908  -7.896
 1580    HB2  GLN  41           HB2      GLN  41  17.298 -13.213  -7.920
 1581    HB3  GLN  41           HB1      GLN  41  17.403 -13.613  -6.211
 1582    HG2  GLN  41           HG2      GLN  41  18.258 -15.504  -7.160
 1583    HG3  GLN  41           HG1      GLN  41  16.561 -15.948  -6.996
 1584   HE21  GLN  41          HE21      GLN  41  15.767 -14.193  -9.223
 1585   HE22  GLN  41          HE22      GLN  41  16.252 -15.016 -10.661
 1586    H    GLN  42           HN       GLN  42  15.759 -13.231  -4.512
 1587    HA   GLN  42           HA       GLN  42  15.028 -15.730  -3.470
 1588    HB2  GLN  42           HB2      GLN  42  16.335 -13.939  -2.281
 1589    HB3  GLN  42           HB1      GLN  42  14.823 -13.073  -2.044
 1590    HG2  GLN  42           HG2      GLN  42  15.335 -14.267  -0.046
 1591    HG3  GLN  42           HG1      GLN  42  13.948 -15.037  -0.816
 1592   HE21  GLN  42          HE21      GLN  42  17.316 -15.330  -0.015
 1593   HE22  GLN  42          HE22      GLN  42  17.456 -17.020  -0.340
 1594    H    GLN  43           HN       GLN  43  13.152 -13.029  -4.502
 1595    HA   GLN  43           HA       GLN  43  10.739 -13.752  -3.114
 1596    HB2  GLN  43           HB2      GLN  43  11.288 -11.420  -3.767
 1597    HB3  GLN  43           HB1      GLN  43  11.156 -11.882  -5.456
 1598    HG2  GLN  43           HG2      GLN  43   8.788 -12.473  -5.064
 1599    HG3  GLN  43           HG1      GLN  43   8.951 -11.877  -3.411
 1600   HE21  GLN  43          HE21      GLN  43   8.862 -11.007  -6.780
 1601   HE22  GLN  43          HE22      GLN  43   8.608  -9.315  -6.544
 1602    H    GLN  44           HN       GLN  44  11.863 -13.931  -6.484
 1603    HA   GLN  44           HA       GLN  44   9.610 -15.155  -7.578
 1604    HB2  GLN  44           HB2      GLN  44  12.471 -14.932  -8.345
 1605    HB3  GLN  44           HB1      GLN  44  11.539 -16.198  -9.131
 1606    HG2  GLN  44           HG2      GLN  44  11.514 -14.229 -10.495
 1607    HG3  GLN  44           HG1      GLN  44   9.898 -14.506  -9.848
 1608   HE21  GLN  44          HE21      GLN  44   9.104 -13.127  -8.234
 1609   HE22  GLN  44          HE22      GLN  44   9.786 -11.562  -7.965
 1610    H    LEU  45           HN       LEU  45  12.039 -16.367  -5.497
 1611    HA   LEU  45           HA       LEU  45  12.089 -19.079  -6.054
 1612    HB2  LEU  45           HB2      LEU  45  13.606 -18.241  -4.452
 1613    HB3  LEU  45           HB1      LEU  45  12.325 -17.532  -3.489
 1614    HG   LEU  45           HG       LEU  45  11.659 -20.159  -3.335
 1615   HD11  LEU  45          HD11      LEU  45  14.670 -20.069  -3.376
 1616   HD12  LEU  45          HD12      LEU  45  13.651 -20.833  -4.597
 1617   HD13  LEU  45          HD13      LEU  45  13.667 -21.455  -2.946
 1618   HD21  LEU  45          HD21      LEU  45  11.763 -18.695  -1.441
 1619   HD22  LEU  45          HD22      LEU  45  13.519 -18.573  -1.574
 1620   HD23  LEU  45          HD23      LEU  45  12.775 -20.102  -1.110
 1621    H    LEU  46           HN       LEU  46   9.832 -17.316  -3.919
 1622    HA   LEU  46           HA       LEU  46   8.095 -19.681  -4.028
 1623    HB2  LEU  46           HB2      LEU  46   8.468 -17.725  -1.770
 1624    HB3  LEU  46           HB1      LEU  46   7.228 -18.968  -1.803
 1625    HG   LEU  46           HG       LEU  46  10.168 -19.581  -2.000
 1626   HD11  LEU  46          HD11      LEU  46  10.096 -20.208   0.343
 1627   HD12  LEU  46          HD12      LEU  46   8.429 -19.648   0.452
 1628   HD13  LEU  46          HD13      LEU  46   9.730 -18.496   0.136
 1629   HD21  LEU  46          HD21      LEU  46   8.679 -21.297  -2.876
 1630   HD22  LEU  46          HD22      LEU  46   7.779 -21.296  -1.359
 1631   HD23  LEU  46          HD23      LEU  46   9.458 -21.835  -1.387
 1632    H    GLN  47           HN       GLN  47   7.490 -16.333  -2.925
 1633    HA   GLN  47           HA       GLN  47   5.845 -14.840  -3.493
 1634    HB2  GLN  47           HB2      GLN  47   6.999 -15.506  -5.833
 1635    HB3  GLN  47           HB1      GLN  47   5.375 -16.101  -6.144
 1636    HG2  GLN  47           HG2      GLN  47   6.087 -13.289  -5.341
 1637    HG3  GLN  47           HG1      GLN  47   5.700 -13.829  -6.973
 1638   HE21  GLN  47          HE21      GLN  47   4.462 -13.098  -3.819
 1639   HE22  GLN  47          HE22      GLN  47   2.789 -13.097  -4.251
 1640    H    ARG  48           HN       ARG  48   5.310 -17.769  -2.624
 1641    HA   ARG  48           HA       ARG  48   2.413 -17.544  -2.803
 1642    HB2  ARG  48           HB2      ARG  48   3.964 -19.946  -3.765
 1643    HB3  ARG  48           HB1      ARG  48   2.256 -20.012  -3.355
 1644    HG2  ARG  48           HG2      ARG  48   1.767 -18.366  -5.073
 1645    HG3  ARG  48           HG1      ARG  48   3.482 -18.266  -5.474
 1646    HD2  ARG  48           HD2      ARG  48   1.737 -20.715  -5.711
 1647    HD3  ARG  48           HD1      ARG  48   2.293 -19.705  -7.045
 1648    HE   ARG  48           HE       ARG  48   4.457 -20.727  -5.489
 1649   HH11  ARG  48          HH11      ARG  48   2.188 -21.522  -8.011
 1650   HH12  ARG  48          HH12      ARG  48   3.206 -22.729  -8.723
 1651   HH21  ARG  48          HH21      ARG  48   5.803 -22.315  -6.419
 1652   HH22  ARG  48          HH22      ARG  48   5.260 -23.181  -7.817
  Start of MODEL   19
    1    H    ASP   1           HT1      ASP   1  -5.141 -14.409 -16.457
    2    HA   ASP   1           HA       ASP   1  -6.514 -15.697 -14.171
    3    HB2  ASP   1           HB2      ASP   1  -3.568 -15.189 -14.652
    4    HB3  ASP   1           HB1      ASP   1  -4.265 -15.863 -13.183
    5    H    GLU   2           HN       GLU   2  -7.205 -14.316 -12.687
    6    HA   GLU   2           HA       GLU   2  -5.776 -11.967 -11.943
    7    HB2  GLU   2           HB2      GLU   2  -7.417 -10.295 -12.617
    8    HB3  GLU   2           HB1      GLU   2  -6.790 -11.137 -14.027
    9    HG2  GLU   2           HG2      GLU   2  -8.809 -12.528 -14.078
   10    HG3  GLU   2           HG1      GLU   2  -9.439 -11.642 -12.690
   11    H    ASP   3           HN       ASP   3  -7.342 -14.448 -11.015
   12    HA   ASP   3           HA       ASP   3  -9.366 -13.311  -9.300
   13    HB2  ASP   3           HB2      ASP   3  -9.597 -15.631  -8.444
   14    HB3  ASP   3           HB1      ASP   3  -9.737 -15.534 -10.196
   15    H    THR   4           HN       THR   4  -8.569 -15.277  -7.094
   16    HA   THR   4           HA       THR   4  -7.081 -13.386  -5.575
   17    HB   THR   4           HB       THR   4  -7.187 -16.098  -4.496
   18    HG1  THR   4           HG1      THR   4  -9.662 -15.052  -4.261
   19   HG21  THR   4          HG21      THR   4  -6.593 -14.153  -3.137
   20   HG22  THR   4          HG22      THR   4  -8.065 -14.915  -2.534
   21   HG23  THR   4          HG23      THR   4  -8.165 -13.430  -3.483
   22    H    TYR   5           HN       TYR   5  -5.065 -13.453  -4.843
   23    HA   TYR   5           HA       TYR   5  -3.198 -15.299  -6.174
   24    HB2  TYR   5           HB2      TYR   5  -3.050 -12.337  -5.782
   25    HB3  TYR   5           HB1      TYR   5  -1.628 -13.318  -6.128
   26    HD1  TYR   5           HD1      TYR   5  -1.616 -14.700  -8.255
   27    HD2  TYR   5           HD2      TYR   5  -4.473 -11.639  -7.511
   28    HE1  TYR   5           HE1      TYR   5  -2.104 -14.582 -10.659
   29    HE2  TYR   5           HE2      TYR   5  -4.968 -11.509  -9.916
   30    HH   TYR   5           HH       TYR   5  -4.116 -12.091 -12.010
   31    H    TYR   6           HN       TYR   6  -1.092 -15.507  -4.888
   32    HA   TYR   6           HA       TYR   6  -1.540 -14.825  -2.068
   33    HB2  TYR   6           HB2      TYR   6   0.413 -16.925  -3.025
   34    HB3  TYR   6           HB1      TYR   6  -0.254 -16.721  -1.411
   35    HD1  TYR   6           HD2      TYR   6  -3.141 -16.393  -2.136
   36    HD2  TYR   6           HD1      TYR   6  -0.214 -19.148  -3.516
   37    HE1  TYR   6           HE2      TYR   6  -4.920 -18.005  -2.637
   38    HE2  TYR   6           HE1      TYR   6  -1.983 -20.777  -4.032
   39    HH   TYR   6           HH       TYR   6  -5.278 -19.955  -4.098
   40    H    LEU   7           HN       LEU   7  -0.276 -13.480  -1.091
   41    HA   LEU   7           HA       LEU   7   2.135 -12.496  -2.489
   42    HB2  LEU   7           HB2      LEU   7  -0.173 -11.214  -1.709
   43    HB3  LEU   7           HB1      LEU   7   0.893 -10.904  -0.367
   44    HG   LEU   7           HG       LEU   7   2.163  -9.437  -1.537
   45   HD11  LEU   7          HD11      LEU   7   1.772  -9.636  -4.251
   46   HD12  LEU   7          HD12      LEU   7   1.915 -11.311  -3.712
   47   HD13  LEU   7          HD13      LEU   7   3.196 -10.158  -3.353
   48   HD21  LEU   7          HD21      LEU   7  -0.312  -9.295  -3.213
   49   HD22  LEU   7          HD22      LEU   7   0.736  -7.972  -2.695
   50   HD23  LEU   7          HD23      LEU   7  -0.268  -8.821  -1.514
   51    H    GLN   8           HN       GLN   8   3.876 -13.549  -1.495
   52    HA   GLN   8           HA       GLN   8   3.768 -14.017   1.304
   53    HB2  GLN   8           HB2      GLN   8   5.118 -15.179  -0.738
   54    HB3  GLN   8           HB1      GLN   8   6.392 -14.234   0.022
   55    HG2  GLN   8           HG2      GLN   8   5.525 -15.286   2.214
   56    HG3  GLN   8           HG1      GLN   8   4.780 -16.471   1.144
   57   HE21  GLN   8          HE21      GLN   8   7.099 -16.105  -0.761
   58   HE22  GLN   8          HE22      GLN   8   8.371 -17.040  -0.063
   59    H    VAL   9           HN       VAL   9   4.065 -12.560   2.766
   60    HA   VAL   9           HA       VAL   9   5.913 -10.386   2.152
   61    HB   VAL   9           HB       VAL   9   3.336 -10.305   3.708
   62   HG11  VAL   9          HG11      VAL   9   3.862  -7.936   4.216
   63   HG12  VAL   9          HG12      VAL   9   5.510  -8.229   3.661
   64   HG13  VAL   9          HG13      VAL   9   4.881  -9.099   5.061
   65   HG21  VAL   9          HG21      VAL   9   3.317 -10.032   1.232
   66   HG22  VAL   9          HG22      VAL   9   4.287  -8.574   1.441
   67   HG23  VAL   9          HG23      VAL   9   2.664  -8.658   2.123
   68    H    ARG  10           HN       ARG  10   7.600 -10.088   3.489
   69    HA   ARG  10           HA       ARG  10   7.714 -11.853   5.833
   70    HB2  ARG  10           HB2      ARG  10   9.505 -11.906   3.971
   71    HB3  ARG  10           HB1      ARG  10  10.059 -10.376   4.637
   72    HG2  ARG  10           HG2      ARG  10   9.739 -12.735   6.434
   73    HG3  ARG  10           HG1      ARG  10  11.154 -12.612   5.387
   74    HD2  ARG  10           HD2      ARG  10  11.662 -10.413   6.356
   75    HD3  ARG  10           HD1      ARG  10  10.263 -10.566   7.417
   76    HE   ARG  10           HE       ARG  10  11.934 -12.795   7.770
   77   HH11  ARG  10          HH11      ARG  10  11.860  -9.368   8.406
   78   HH12  ARG  10          HH12      ARG  10  12.883  -9.476   9.799
   79   HH21  ARG  10          HH21      ARG  10  13.276 -12.945   9.604
   80   HH22  ARG  10          HH22      ARG  10  13.688 -11.509  10.480
   81    H    GLY  11           HN       GLY  11   8.071 -11.111   7.843
   82    HA2  GLY  11           HA2      GLY  11   8.543  -9.497   9.500
   83    HA3  GLY  11           HA1      GLY  11   8.581  -8.259   8.251
   84    H    ARG  12           HN       ARG  12   6.954  -9.167  10.879
   85    HA   ARG  12           HA       ARG  12   4.259  -9.182  10.262
   86    HB2  ARG  12           HB2      ARG  12   5.449  -9.494  12.534
   87    HB3  ARG  12           HB1      ARG  12   5.304  -7.748  12.686
   88    HG2  ARG  12           HG2      ARG  12   3.461  -8.672  13.822
   89    HG3  ARG  12           HG1      ARG  12   2.835  -8.036  12.299
   90    HD2  ARG  12           HD2      ARG  12   2.966 -10.309  11.341
   91    HD3  ARG  12           HD1      ARG  12   3.487 -10.914  12.913
   92    HE   ARG  12           HE       ARG  12   0.904  -9.539  12.648
   93   HH11  ARG  12          HH11      ARG  12   2.754 -12.394  13.404
   94   HH12  ARG  12          HH12      ARG  12   1.410 -13.237  14.098
   95   HH21  ARG  12          HH21      ARG  12  -0.868 -10.640  13.562
   96   HH22  ARG  12          HH22      ARG  12  -0.648 -12.240  14.189
   97    H    GLU  13           HN       GLU  13   6.232  -6.252  10.901
   98    HA   GLU  13           HA       GLU  13   4.190  -4.419  10.780
   99    HB2  GLU  13           HB2      GLU  13   6.601  -3.990  11.358
  100    HB3  GLU  13           HB1      GLU  13   6.939  -3.956   9.632
  101    HG2  GLU  13           HG2      GLU  13   6.708  -1.716  10.320
  102    HG3  GLU  13           HG1      GLU  13   5.239  -2.132   9.438
  103    H    ASN  14           HN       ASN  14   6.078  -5.698   8.052
  104    HA   ASN  14           HA       ASN  14   4.828  -4.125   6.040
  105    HB2  ASN  14           HB2      ASN  14   6.177  -6.816   5.748
  106    HB3  ASN  14           HB1      ASN  14   5.890  -5.636   4.472
  107   HD21  ASN  14          HD21      ASN  14   8.394  -6.768   5.272
  108   HD22  ASN  14          HD22      ASN  14   9.397  -5.462   5.794
  109    H    PHE  15           HN       PHE  15   4.272  -7.417   7.233
  110    HA   PHE  15           HA       PHE  15   2.275  -8.178   5.450
  111    HB2  PHE  15           HB2      PHE  15   3.434  -9.698   7.018
  112    HB3  PHE  15           HB1      PHE  15   2.545  -8.974   8.354
  113    HD1  PHE  15           HD2      PHE  15   1.386 -10.000   4.954
  114    HD2  PHE  15           HD1      PHE  15   1.154 -10.618   9.168
  115    HE1  PHE  15           HE2      PHE  15  -0.418 -11.611   4.613
  116    HE2  PHE  15           HE1      PHE  15  -0.681 -12.231   8.818
  117    HZ   PHE  15           HZ       PHE  15  -1.464 -12.722   6.530
  118    H    GLU  16           HN       GLU  16   1.980  -6.534   8.591
  119    HA   GLU  16           HA       GLU  16  -0.854  -6.392   8.660
  120    HB2  GLU  16           HB2      GLU  16   1.238  -4.623   9.936
  121    HB3  GLU  16           HB1      GLU  16  -0.479  -4.577  10.312
  122    HG2  GLU  16           HG2      GLU  16  -0.372  -6.891  11.088
  123    HG3  GLU  16           HG1      GLU  16   1.351  -6.932  10.719
  124    H    ILE  17           HN       ILE  17   1.534  -4.014   7.450
  125    HA   ILE  17           HA       ILE  17  -0.414  -2.069   6.813
  126    HB   ILE  17           HB       ILE  17   2.427  -2.477   6.180
  127   HG12  ILE  17          HG12      ILE  17   0.976   0.116   6.587
  128   HG13  ILE  17          HG11      ILE  17   1.251  -0.967   7.944
  129   HG21  ILE  17          HG21      ILE  17   2.477  -0.806   4.398
  130   HG22  ILE  17          HG22      ILE  17   0.713  -0.749   4.398
  131   HG23  ILE  17          HG23      ILE  17   1.550  -2.225   3.909
  132   HD11  ILE  17          HD11      ILE  17   3.408   0.152   6.172
  133   HD12  ILE  17          HD12      ILE  17   3.628  -0.796   7.645
  134   HD13  ILE  17          HD13      ILE  17   2.927   0.824   7.731
  135    H    LEU  18           HN       LEU  18   0.935  -4.785   4.941
  136    HA   LEU  18           HA       LEU  18  -0.441  -4.062   2.528
  137    HB2  LEU  18           HB2      LEU  18   1.162  -6.426   3.448
  138    HB3  LEU  18           HB1      LEU  18   0.282  -6.454   1.932
  139    HG   LEU  18           HG       LEU  18   2.078  -4.138   2.342
  140   HD11  LEU  18          HD11      LEU  18   4.085  -5.285   1.947
  141   HD12  LEU  18          HD12      LEU  18   3.249  -6.788   1.569
  142   HD13  LEU  18          HD13      LEU  18   3.291  -6.199   3.230
  143   HD21  LEU  18          HD21      LEU  18   0.837  -4.378   0.288
  144   HD22  LEU  18          HD22      LEU  18   1.478  -6.003   0.051
  145   HD23  LEU  18          HD23      LEU  18   2.554  -4.609  -0.037
  146    H    MET  19           HN       MET  19  -0.989  -6.236   5.251
  147    HA   MET  19           HA       MET  19  -3.150  -7.653   4.102
  148    HB2  MET  19           HB2      MET  19  -1.729  -8.075   6.330
  149    HB3  MET  19           HB1      MET  19  -3.076  -7.224   7.063
  150    HG2  MET  19           HG2      MET  19  -3.151  -9.803   5.527
  151    HG3  MET  19           HG1      MET  19  -3.468  -9.552   7.239
  152    HE1  MET  19           HE1      MET  19  -6.801 -10.640   5.227
  153    HE2  MET  19           HE2      MET  19  -5.770 -11.139   6.569
  154    HE3  MET  19           HE3      MET  19  -5.115 -11.072   4.930
  155    H    LYS  20           HN       LYS  20  -3.089  -4.895   6.335
  156    HA   LYS  20           HA       LYS  20  -5.836  -4.402   6.487
  157    HB2  LYS  20           HB2      LYS  20  -3.790  -3.298   7.688
  158    HB3  LYS  20           HB1      LYS  20  -3.847  -2.175   6.338
  159    HG2  LYS  20           HG2      LYS  20  -6.262  -2.757   8.020
  160    HG3  LYS  20           HG1      LYS  20  -5.081  -1.523   8.462
  161    HD2  LYS  20           HD2      LYS  20  -5.445  -0.514   6.184
  162    HD3  LYS  20           HD1      LYS  20  -6.792  -1.637   5.986
  163    HE2  LYS  20           HE2      LYS  20  -6.524   0.380   8.211
  164    HE3  LYS  20           HE1      LYS  20  -7.507   0.592   6.765
  165    HZ1  LYS  20           HZ1      LYS  20  -8.797  -1.357   7.417
  166    HZ2  LYS  20           HZ2      LYS  20  -8.850  -0.161   8.611
  167    HZ3  LYS  20           HZ3      LYS  20  -7.867  -1.521   8.821
  168    H    LEU  21           HN       LEU  21  -3.393  -3.491   4.161
  169    HA   LEU  21           HA       LEU  21  -5.052  -1.845   2.563
  170    HB2  LEU  21           HB2      LEU  21  -2.454  -2.031   2.698
  171    HB3  LEU  21           HB1      LEU  21  -2.635  -3.368   1.590
  172    HG   LEU  21           HG       LEU  21  -3.095  -0.454   1.103
  173   HD11  LEU  21          HD11      LEU  21  -1.503  -2.592  -0.289
  174   HD12  LEU  21          HD12      LEU  21  -0.870  -1.317   0.748
  175   HD13  LEU  21          HD13      LEU  21  -1.613  -0.910  -0.798
  176   HD21  LEU  21          HD21      LEU  21  -5.068  -1.525   0.191
  177   HD22  LEU  21          HD22      LEU  21  -4.066  -2.720  -0.632
  178   HD23  LEU  21          HD23      LEU  21  -3.992  -1.024  -1.113
  179    H    LYS  22           HN       LYS  22  -4.146  -5.243   2.389
  180    HA   LYS  22           HA       LYS  22  -5.221  -5.966  -0.024
  181    HB2  LYS  22           HB2      LYS  22  -3.927  -7.484   1.343
  182    HB3  LYS  22           HB1      LYS  22  -5.142  -7.446   2.609
  183    HG2  LYS  22           HG2      LYS  22  -6.685  -8.663   1.265
  184    HG3  LYS  22           HG1      LYS  22  -5.631  -8.539  -0.146
  185    HD2  LYS  22           HD2      LYS  22  -4.654 -10.442   0.464
  186    HD3  LYS  22           HD1      LYS  22  -4.073  -9.636   1.920
  187    HE2  LYS  22           HE2      LYS  22  -6.290 -10.187   2.977
  188    HE3  LYS  22           HE1      LYS  22  -6.623 -11.192   1.567
  189    HZ1  LYS  22           HZ1      LYS  22  -5.731 -12.500   3.382
  190    HZ2  LYS  22           HZ2      LYS  22  -4.343 -11.536   3.437
  191    HZ3  LYS  22           HZ3      LYS  22  -4.652 -12.495   2.079
  192    H    GLU  23           HN       GLU  23  -6.804  -5.541   3.095
  193    HA   GLU  23           HA       GLU  23  -9.389  -6.370   2.242
  194    HB2  GLU  23           HB2      GLU  23  -8.517  -4.604   4.538
  195    HB3  GLU  23           HB1      GLU  23 -10.169  -5.137   4.286
  196    HG2  GLU  23           HG2      GLU  23  -8.100  -6.425   5.696
  197    HG3  GLU  23           HG1      GLU  23  -9.757  -6.958   5.449
  198    H    SER  24           HN       SER  24  -7.879  -3.146   2.530
  199    HA   SER  24           HA       SER  24 -10.134  -1.732   1.741
  200    HB2  SER  24           HB2      SER  24  -8.656   0.142   1.259
  201    HB3  SER  24           HB1      SER  24  -8.101  -0.683   2.710
  202    HG   SER  24           HG       SER  24  -6.383  -0.215   1.279
  203    H    LEU  25           HN       LEU  25  -7.506  -3.014  -0.303
  204    HA   LEU  25           HA       LEU  25  -8.490  -2.011  -2.770
  205    HB2  LEU  25           HB2      LEU  25  -6.531  -4.094  -1.943
  206    HB3  LEU  25           HB1      LEU  25  -7.111  -4.109  -3.597
  207    HG   LEU  25           HG       LEU  25  -5.823  -1.708  -2.297
  208   HD11  LEU  25          HD11      LEU  25  -4.629  -3.823  -4.080
  209   HD12  LEU  25          HD12      LEU  25  -4.196  -3.480  -2.406
  210   HD13  LEU  25          HD13      LEU  25  -3.852  -2.295  -3.665
  211   HD21  LEU  25          HD21      LEU  25  -5.651  -0.853  -4.543
  212   HD22  LEU  25          HD22      LEU  25  -7.335  -1.254  -4.203
  213   HD23  LEU  25          HD23      LEU  25  -6.355  -2.332  -5.198
  214    H    GLU  26           HN       GLU  26  -8.910  -5.145  -1.167
  215    HA   GLU  26           HA       GLU  26 -10.468  -6.280  -3.249
  216    HB2  GLU  26           HB2      GLU  26 -10.128  -6.994  -0.345
  217    HB3  GLU  26           HB1      GLU  26 -11.158  -7.915  -1.433
  218    HG2  GLU  26           HG2      GLU  26  -9.142  -8.208  -2.911
  219    HG3  GLU  26           HG1      GLU  26  -8.183  -7.527  -1.598
  220    H    LEU  27           HN       LEU  27 -11.297  -4.616  -0.241
  221    HA   LEU  27           HA       LEU  27 -14.115  -4.929  -0.431
  222    HB2  LEU  27           HB2      LEU  27 -12.314  -3.073   1.089
  223    HB3  LEU  27           HB1      LEU  27 -14.057  -2.883   1.123
  224    HG   LEU  27           HG       LEU  27 -12.703  -5.466   1.890
  225   HD11  LEU  27          HD11      LEU  27 -11.902  -3.626   3.326
  226   HD12  LEU  27          HD12      LEU  27 -12.879  -4.806   4.196
  227   HD13  LEU  27          HD13      LEU  27 -13.576  -3.253   3.736
  228   HD21  LEU  27          HD21      LEU  27 -15.050  -5.665   1.337
  229   HD22  LEU  27          HD22      LEU  27 -15.446  -4.329   2.418
  230   HD23  LEU  27          HD23      LEU  27 -14.830  -5.844   3.078
  231    H    MET  28           HN       MET  28 -11.915  -2.463  -1.767
  232    HA   MET  28           HA       MET  28 -13.861  -0.622  -2.322
  233    HB2  MET  28           HB2      MET  28 -11.401  -0.283  -2.714
  234    HB3  MET  28           HB1      MET  28 -11.546  -1.241  -4.182
  235    HG2  MET  28           HG2      MET  28 -13.382   0.496  -4.795
  236    HG3  MET  28           HG1      MET  28 -12.574   1.486  -3.591
  237    HE1  MET  28           HE1      MET  28  -9.308   1.406  -4.128
  238    HE2  MET  28           HE2      MET  28 -10.593   2.522  -3.668
  239    HE3  MET  28           HE3      MET  28  -9.603   2.851  -5.092
  240    H    GLU  29           HN       GLU  29 -13.694  -3.768  -3.596
  241    HA   GLU  29           HA       GLU  29 -15.136  -3.127  -6.039
  242    HB2  GLU  29           HB2      GLU  29 -14.682  -5.263  -6.725
  243    HB3  GLU  29           HB1      GLU  29 -13.320  -4.981  -5.651
  244    HG2  GLU  29           HG2      GLU  29 -14.583  -6.140  -3.849
  245    HG3  GLU  29           HG1      GLU  29 -15.825  -6.529  -5.037
  246    H    LEU  30           HN       LEU  30 -15.803  -4.076  -2.784
  247    HA   LEU  30           HA       LEU  30 -18.432  -5.102  -3.474
  248    HB2  LEU  30           HB2      LEU  30 -18.332  -6.270  -1.585
  249    HB3  LEU  30           HB1      LEU  30 -16.642  -5.826  -1.556
  250    HG   LEU  30           HG       LEU  30 -18.806  -4.310  -0.117
  251   HD11  LEU  30          HD11      LEU  30 -18.018  -5.400   1.904
  252   HD12  LEU  30          HD12      LEU  30 -16.837  -6.320   0.967
  253   HD13  LEU  30          HD13      LEU  30 -18.563  -6.606   0.737
  254   HD21  LEU  30          HD21      LEU  30 -15.808  -4.182   0.000
  255   HD22  LEU  30          HD22      LEU  30 -16.884  -3.386   1.146
  256   HD23  LEU  30          HD23      LEU  30 -16.907  -2.920  -0.554
  257    H    VAL  31           HN       VAL  31 -17.176  -2.171  -3.233
  258    HA   VAL  31           HA       VAL  31 -19.462  -0.973  -1.848
  259    HB   VAL  31           HB       VAL  31 -17.468   0.833  -3.024
  260   HG11  VAL  31          HG11      VAL  31 -19.162   0.616  -0.638
  261   HG12  VAL  31          HG12      VAL  31 -18.795   2.010  -1.655
  262   HG13  VAL  31          HG13      VAL  31 -17.641   1.478  -0.434
  263   HG21  VAL  31          HG21      VAL  31 -15.937  -0.921  -2.397
  264   HG22  VAL  31          HG22      VAL  31 -16.665  -1.025  -0.796
  265   HG23  VAL  31          HG23      VAL  31 -15.785   0.426  -1.270
  266    HA   PRO  32           HA       PRO  32 -21.648  -0.587  -5.717
  267    HB2  PRO  32           HB2      PRO  32 -22.467   1.962  -4.354
  268    HB3  PRO  32           HB1      PRO  32 -23.461   0.810  -5.255
  269    HG2  PRO  32           HG2      PRO  32 -23.421   0.800  -2.582
  270    HG3  PRO  32           HG1      PRO  32 -23.527  -0.706  -3.509
  271    HD2  PRO  32           HD2      PRO  32 -21.263   0.389  -1.955
  272    HD3  PRO  32           HD1      PRO  32 -21.617  -1.292  -2.403
  273    H    GLN  33           HN       GLN  33 -20.822   0.155  -7.580
  274    HA   GLN  33           HA       GLN  33 -18.616   1.788  -7.804
  275    HB2  GLN  33           HB2      GLN  33 -19.397   0.272  -9.573
  276    HB3  GLN  33           HB1      GLN  33 -20.746   1.348  -9.898
  277    HG2  GLN  33           HG2      GLN  33 -18.980   1.653 -11.527
  278    HG3  GLN  33           HG1      GLN  33 -19.200   3.110 -10.558
  279   HE21  GLN  33          HE21      GLN  33 -17.135   3.855 -10.996
  280   HE22  GLN  33          HE22      GLN  33 -15.724   3.137 -10.304
  281    HA   PRO  34           HA       PRO  34 -21.662   5.487  -8.962
  282    HB2  PRO  34           HB2      PRO  34 -23.830   4.810  -7.046
  283    HB3  PRO  34           HB1      PRO  34 -23.934   5.522  -8.660
  284    HG2  PRO  34           HG2      PRO  34 -24.614   2.982  -8.252
  285    HG3  PRO  34           HG1      PRO  34 -23.749   3.469  -9.722
  286    HD2  PRO  34           HD2      PRO  34 -22.712   2.098  -7.275
  287    HD3  PRO  34           HD1      PRO  34 -22.300   1.828  -8.980
  288    H    LEU  35           HN       LEU  35 -21.433   4.004  -5.770
  289    HA   LEU  35           HA       LEU  35 -21.440   6.498  -4.351
  290    HB2  LEU  35           HB2      LEU  35 -22.335   4.468  -3.340
  291    HB3  LEU  35           HB1      LEU  35 -20.789   3.665  -3.521
  292    HG   LEU  35           HG       LEU  35 -19.804   5.220  -1.904
  293   HD11  LEU  35          HD11      LEU  35 -22.607   6.262  -1.587
  294   HD12  LEU  35          HD12      LEU  35 -21.240   7.146  -2.267
  295   HD13  LEU  35          HD13      LEU  35 -21.228   6.675  -0.567
  296   HD21  LEU  35          HD21      LEU  35 -20.694   3.080  -1.159
  297   HD22  LEU  35          HD22      LEU  35 -22.275   3.820  -0.912
  298   HD23  LEU  35          HD23      LEU  35 -20.903   4.321   0.077
  299    H    VAL  36           HN       VAL  36 -19.086   4.306  -5.699
  300    HA   VAL  36           HA       VAL  36 -16.805   5.482  -4.384
  301    HB   VAL  36           HB       VAL  36 -17.006   3.674  -6.807
  302   HG11  VAL  36          HG11      VAL  36 -14.550   3.401  -6.574
  303   HG12  VAL  36          HG12      VAL  36 -14.551   4.720  -5.403
  304   HG13  VAL  36          HG13      VAL  36 -15.029   5.024  -7.072
  305   HG21  VAL  36          HG21      VAL  36 -16.094   1.973  -5.319
  306   HG22  VAL  36          HG22      VAL  36 -17.593   2.634  -4.666
  307   HG23  VAL  36          HG23      VAL  36 -16.040   3.140  -3.998
  308    H    ASP  37           HN       ASP  37 -18.444   5.922  -7.482
  309    HA   ASP  37           HA       ASP  37 -16.599   7.685  -8.639
  310    HB2  ASP  37           HB2      ASP  37 -19.611   7.550  -8.935
  311    HB3  ASP  37           HB1      ASP  37 -18.561   8.531  -9.952
  312    H    SER  38           HN       SER  38 -19.388   8.274  -6.481
  313    HA   SER  38           HA       SER  38 -19.238  11.057  -6.430
  314    HB2  SER  38           HB2      SER  38 -21.112   9.789  -5.466
  315    HB3  SER  38           HB1      SER  38 -20.054   9.188  -4.189
  316    HG   SER  38           HG       SER  38 -21.416  11.477  -4.275
  317    H    TYR  39           HN       TYR  39 -17.579   8.670  -4.382
  318    HA   TYR  39           HA       TYR  39 -16.270  10.494  -2.704
  319    HB2  TYR  39           HB2      TYR  39 -16.143   8.322  -1.919
  320    HB3  TYR  39           HB1      TYR  39 -15.780   7.657  -3.509
  321    HD1  TYR  39           HD1      TYR  39 -14.339   9.565  -0.681
  322    HD2  TYR  39           HD2      TYR  39 -13.550   7.319  -4.205
  323    HE1  TYR  39           HE1      TYR  39 -11.949   9.538  -0.122
  324    HE2  TYR  39           HE2      TYR  39 -11.165   7.286  -3.662
  325    HH   TYR  39           HH       TYR  39  -9.956   8.346  -0.601
  326    H    ARG  40           HN       ARG  40 -15.257   9.013  -5.755
  327    HA   ARG  40           HA       ARG  40 -12.675  10.027  -5.909
  328    HB2  ARG  40           HB2      ARG  40 -14.679   9.346  -8.058
  329    HB3  ARG  40           HB1      ARG  40 -13.025   9.824  -8.423
  330    HG2  ARG  40           HG2      ARG  40 -12.217   7.918  -7.081
  331    HG3  ARG  40           HG1      ARG  40 -13.893   7.425  -6.825
  332    HD2  ARG  40           HD2      ARG  40 -14.169   7.246  -9.278
  333    HD3  ARG  40           HD1      ARG  40 -12.460   7.631  -9.471
  334    HE   ARG  40           HE       ARG  40 -12.635   5.456  -7.746
  335   HH11  ARG  40          HH11      ARG  40 -13.361   6.222 -11.068
  336   HH12  ARG  40          HH12      ARG  40 -13.109   4.603 -11.630
  337   HH21  ARG  40          HH21      ARG  40 -12.304   3.321  -8.478
  338   HH22  ARG  40          HH22      ARG  40 -12.509   2.955 -10.159
  339    H    GLN  41           HN       GLN  41 -15.743  11.538  -6.663
  340    HA   GLN  41           HA       GLN  41 -14.685  13.867  -7.925
  341    HB2  GLN  41           HB2      GLN  41 -17.305  13.452  -6.469
  342    HB3  GLN  41           HB1      GLN  41 -16.912  14.849  -7.461
  343    HG2  GLN  41           HG2      GLN  41 -16.694  13.395  -9.415
  344    HG3  GLN  41           HG1      GLN  41 -17.108  12.003  -8.417
  345   HE21  GLN  41          HE21      GLN  41 -18.453  13.089 -10.768
  346   HE22  GLN  41          HE22      GLN  41 -20.071  13.441 -10.274
  347    H    GLN  42           HN       GLN  42 -15.729  13.187  -4.596
  348    HA   GLN  42           HA       GLN  42 -15.179  15.727  -3.544
  349    HB2  GLN  42           HB2      GLN  42 -16.514  14.026  -2.366
  350    HB3  GLN  42           HB1      GLN  42 -15.070  13.050  -2.141
  351    HG2  GLN  42           HG2      GLN  42 -14.083  14.841  -0.789
  352    HG3  GLN  42           HG1      GLN  42 -15.556  15.789  -0.992
  353   HE21  GLN  42          HE21      GLN  42 -14.107  13.027   0.532
  354   HE22  GLN  42          HE22      GLN  42 -15.374  12.733   1.670
  355    H    GLN  43           HN       GLN  43 -13.111  12.999  -4.225
  356    HA   GLN  43           HA       GLN  43 -10.866  14.063  -2.757
  357    HB2  GLN  43           HB2      GLN  43 -11.225  11.622  -3.027
  358    HB3  GLN  43           HB1      GLN  43 -10.956  11.796  -4.756
  359    HG2  GLN  43           HG2      GLN  43  -8.978  10.958  -3.600
  360    HG3  GLN  43           HG1      GLN  43  -8.682  12.520  -4.363
  361   HE21  GLN  43          HE21      GLN  43  -8.346  14.326  -3.087
  362   HE22  GLN  43          HE22      GLN  43  -8.015  14.218  -1.395
  363    H    GLN  44           HN       GLN  44 -11.991  13.959  -6.078
  364    HA   GLN  44           HA       GLN  44  -9.634  14.893  -7.316
  365    HB2  GLN  44           HB2      GLN  44 -11.681  13.855  -8.434
  366    HB3  GLN  44           HB1      GLN  44 -12.435  15.437  -8.295
  367    HG2  GLN  44           HG2      GLN  44 -11.525  15.212 -10.489
  368    HG3  GLN  44           HG1      GLN  44 -10.562  16.393  -9.601
  369   HE21  GLN  44          HE21      GLN  44  -8.472  15.839  -8.937
  370   HE22  GLN  44          HE22      GLN  44  -7.612  14.517  -9.643
  371    H    LEU  45           HN       LEU  45 -12.063  16.417  -5.447
  372    HA   LEU  45           HA       LEU  45 -12.002  19.049  -6.319
  373    HB2  LEU  45           HB2      LEU  45 -13.612  18.481  -4.710
  374    HB3  LEU  45           HB1      LEU  45 -12.422  17.773  -3.637
  375    HG   LEU  45           HG       LEU  45 -11.585  20.347  -3.639
  376   HD11  LEU  45          HD11      LEU  45 -13.372  21.148  -5.046
  377   HD12  LEU  45          HD12      LEU  45 -13.583  21.770  -3.409
  378   HD13  LEU  45          HD13      LEU  45 -14.577  20.428  -3.978
  379   HD21  LEU  45          HD21      LEU  45 -13.690  19.086  -1.889
  380   HD22  LEU  45          HD22      LEU  45 -12.787  20.547  -1.489
  381   HD23  LEU  45          HD23      LEU  45 -11.940  19.008  -1.666
  382    H    LEU  46           HN       LEU  46  -9.876  17.413  -3.997
  383    HA   LEU  46           HA       LEU  46  -8.087  19.750  -4.085
  384    HB2  LEU  46           HB2      LEU  46  -8.452  17.630  -1.981
  385    HB3  LEU  46           HB1      LEU  46  -7.167  18.822  -1.943
  386    HG   LEU  46           HG       LEU  46 -10.097  19.533  -1.948
  387   HD11  LEU  46          HD11      LEU  46  -9.759  18.359   0.077
  388   HD12  LEU  46          HD12      LEU  46  -9.681  20.075   0.474
  389   HD13  LEU  46          HD13      LEU  46  -8.197  19.133   0.345
  390   HD21  LEU  46          HD21      LEU  46  -9.320  21.715  -1.252
  391   HD22  LEU  46          HD22      LEU  46  -8.546  21.257  -2.769
  392   HD23  LEU  46          HD23      LEU  46  -7.652  21.145  -1.253
  393    H    GLN  47           HN       GLN  47  -7.663  16.296  -3.307
  394    HA   GLN  47           HA       GLN  47  -6.071  14.792  -3.920
  395    HB2  GLN  47           HB2      GLN  47  -7.220  15.622  -6.202
  396    HB3  GLN  47           HB1      GLN  47  -5.572  16.147  -6.516
  397    HG2  GLN  47           HG2      GLN  47  -6.329  13.346  -5.732
  398    HG3  GLN  47           HG1      GLN  47  -6.128  13.892  -7.395
  399   HE21  GLN  47          HE21      GLN  47  -4.528  13.174  -4.395
  400   HE22  GLN  47          HE22      GLN  47  -2.921  13.126  -5.027
  401    H    ARG  48           HN       ARG  48  -5.192  16.983  -2.418
  402    HA   ARG  48           HA       ARG  48  -2.386  17.051  -3.223
  403    HB2  ARG  48           HB2      ARG  48  -4.020  19.502  -2.556
  404    HB3  ARG  48           HB1      ARG  48  -2.264  19.483  -2.629
  405    HG2  ARG  48           HG2      ARG  48  -2.350  18.879  -4.976
  406    HG3  ARG  48           HG1      ARG  48  -4.114  18.844  -4.912
  407    HD2  ARG  48           HD2      ARG  48  -2.355  21.247  -4.431
  408    HD3  ARG  48           HD1      ARG  48  -3.321  20.938  -5.872
  409    HE   ARG  48           HE       ARG  48  -4.933  20.930  -3.533
  410   HH11  ARG  48          HH11      ARG  48  -3.284  23.046  -5.758
  411   HH12  ARG  48          HH12      ARG  48  -4.351  24.382  -5.479
  412   HH21  ARG  48          HH21      ARG  48  -6.342  22.685  -3.160
  413   HH22  ARG  48          HH22      ARG  48  -6.088  24.177  -4.002
  414    H    ASP   1           HT1      ASP   1   5.167 -14.403  16.452
  415    HA   ASP   1           HA       ASP   1   6.544 -15.687  14.167
  416    HB2  ASP   1           HB2      ASP   1   3.597 -15.185  14.648
  417    HB3  ASP   1           HB1      ASP   1   4.296 -15.857  13.178
  418    H    GLU   2           HN       GLU   2   7.234 -14.303  12.684
  419    HA   GLU   2           HA       GLU   2   5.799 -11.957  11.940
  420    HB2  GLU   2           HB2      GLU   2   7.436 -10.282  12.614
  421    HB3  GLU   2           HB1      GLU   2   6.811 -11.125  14.025
  422    HG2  GLU   2           HG2      GLU   2   8.834 -12.512  14.074
  423    HG3  GLU   2           HG1      GLU   2   9.461 -11.621  12.686
  424    H    ASP   3           HN       ASP   3   7.371 -14.435  11.010
  425    HA   ASP   3           HA       ASP   3   9.393 -13.292   9.296
  426    HB2  ASP   3           HB2      ASP   3   9.629 -15.613   8.441
  427    HB3  ASP   3           HB1      ASP   3   9.769 -15.515  10.192
  428    H    THR   4           HN       THR   4   8.602 -15.258   7.090
  429    HA   THR   4           HA       THR   4   7.108 -13.372   5.572
  430    HB   THR   4           HB       THR   4   7.223 -16.083   4.491
  431    HG1  THR   4           HG1      THR   4   9.695 -15.030   4.258
  432   HG21  THR   4          HG21      THR   4   6.623 -14.138   3.134
  433   HG22  THR   4          HG22      THR   4   8.097 -14.897   2.530
  434   HG23  THR   4          HG23      THR   4   8.194 -13.411   3.480
  435    H    TYR   5           HN       TYR   5   5.094 -13.443   4.840
  436    HA   TYR   5           HA       TYR   5   3.231 -15.294   6.169
  437    HB2  TYR   5           HB2      TYR   5   3.075 -12.333   5.778
  438    HB3  TYR   5           HB1      TYR   5   1.657 -13.317   6.123
  439    HD1  TYR   5           HD1      TYR   5   1.646 -14.699   8.250
  440    HD2  TYR   5           HD2      TYR   5   4.497 -11.632   7.507
  441    HE1  TYR   5           HE1      TYR   5   2.133 -14.580  10.654
  442    HE2  TYR   5           HE2      TYR   5   4.991 -11.500   9.912
  443    HH   TYR   5           HH       TYR   5   4.141 -12.085  12.006
  444    H    TYR   6           HN       TYR   6   1.126 -15.506   4.882
  445    HA   TYR   6           HA       TYR   6   1.573 -14.823   2.062
  446    HB2  TYR   6           HB2      TYR   6  -0.375 -16.929   3.018
  447    HB3  TYR   6           HB1      TYR   6   0.291 -16.723   1.405
  448    HD1  TYR   6           HD2      TYR   6   3.178 -16.388   2.132
  449    HD2  TYR   6           HD1      TYR   6   0.258 -19.152   3.508
  450    HE1  TYR   6           HE2      TYR   6   4.961 -17.995   2.633
  451    HE2  TYR   6           HE1      TYR   6   2.031 -20.775   4.025
  452    HH   TYR   6           HH       TYR   6   5.323 -19.945   4.092
  453    H    LEU   7           HN       LEU   7   0.307 -13.479   1.086
  454    HA   LEU   7           HA       LEU   7  -2.106 -12.502   2.484
  455    HB2  LEU   7           HB2      LEU   7   0.197 -11.216   1.704
  456    HB3  LEU   7           HB1      LEU   7  -0.868 -10.907   0.363
  457    HG   LEU   7           HG       LEU   7  -2.142  -9.444   1.533
  458   HD11  LEU   7          HD11      LEU   7  -1.751  -9.641   4.247
  459   HD12  LEU   7          HD12      LEU   7  -1.889 -11.316   3.709
  460   HD13  LEU   7          HD13      LEU   7  -3.174 -10.168   3.349
  461   HD21  LEU   7          HD21      LEU   7   0.333  -9.296   3.208
  462   HD22  LEU   7          HD22      LEU   7  -0.718  -7.975   2.690
  463   HD23  LEU   7          HD23      LEU   7   0.288  -8.821   1.510
  464    H    GLN   8           HN       GLN   8  -3.845 -13.560   1.490
  465    HA   GLN   8           HA       GLN   8  -3.736 -14.027  -1.309
  466    HB2  GLN   8           HB2      GLN   8  -5.084 -15.194   0.732
  467    HB3  GLN   8           HB1      GLN   8  -6.360 -14.251  -0.027
  468    HG2  GLN   8           HG2      GLN   8  -5.491 -15.299  -2.220
  469    HG3  GLN   8           HG1      GLN   8  -4.744 -16.483  -1.151
  470   HE21  GLN   8          HE21      GLN   8  -7.064 -16.125   0.754
  471   HE22  GLN   8          HE22      GLN   8  -8.332 -17.062   0.055
  472    H    VAL   9           HN       VAL   9  -4.036 -12.570  -2.770
  473    HA   VAL   9           HA       VAL   9  -5.890 -10.401  -2.157
  474    HB   VAL   9           HB       VAL   9  -3.313 -10.313  -3.713
  475   HG11  VAL   9          HG11      VAL   9  -3.845  -7.945  -4.220
  476   HG12  VAL   9          HG12      VAL   9  -5.493  -8.244  -3.665
  477   HG13  VAL   9          HG13      VAL   9  -4.862  -9.111  -5.066
  478   HG21  VAL   9          HG21      VAL   9  -3.294 -10.040  -1.237
  479   HG22  VAL   9          HG22      VAL   9  -4.270  -8.585  -1.446
  480   HG23  VAL   9          HG23      VAL   9  -2.646  -8.664  -2.128
  481    H    ARG  10           HN       ARG  10  -7.577 -10.106  -3.495
  482    HA   ARG  10           HA       ARG  10  -7.687 -11.871  -5.839
  483    HB2  ARG  10           HB2      ARG  10  -9.476 -11.930  -3.979
  484    HB3  ARG  10           HB1      ARG  10 -10.035 -10.402  -4.642
  485    HG2  ARG  10           HG2      ARG  10  -9.709 -12.757  -6.442
  486    HG3  ARG  10           HG1      ARG  10 -11.124 -12.639  -5.394
  487    HD2  ARG  10           HD2      ARG  10 -11.638 -10.441  -6.363
  488    HD3  ARG  10           HD1      ARG  10 -10.238 -10.589  -7.424
  489    HE   ARG  10           HE       ARG  10 -11.903 -12.824  -7.778
  490   HH11  ARG  10          HH11      ARG  10 -11.837  -9.398  -8.414
  491   HH12  ARG  10          HH12      ARG  10 -12.859  -9.508  -9.808
  492   HH21  ARG  10          HH21      ARG  10 -13.245 -12.977  -9.612
  493   HH22  ARG  10          HH22      ARG  10 -13.659 -11.542 -10.490
  494    H    GLY  11           HN       GLY  11  -8.044 -11.131  -7.849
  495    HA2  GLY  11           HA2      GLY  11  -8.520  -9.519  -9.507
  496    HA3  GLY  11           HA1      GLY  11  -8.561  -8.281  -8.258
  497    H    ARG  12           HN       ARG  12  -6.931  -9.184 -10.886
  498    HA   ARG  12           HA       ARG  12  -4.237  -9.192 -10.268
  499    HB2  ARG  12           HB2      ARG  12  -5.425  -9.507 -12.541
  500    HB3  ARG  12           HB1      ARG  12  -5.283  -7.761 -12.693
  501    HG2  ARG  12           HG2      ARG  12  -3.438  -8.680 -13.827
  502    HG3  ARG  12           HG1      ARG  12  -2.814  -8.043 -12.304
  503    HD2  ARG  12           HD2      ARG  12  -2.941 -10.317 -11.346
  504    HD3  ARG  12           HD1      ARG  12  -3.460 -10.923 -12.918
  505    HE   ARG  12           HE       ARG  12  -0.880  -9.542 -12.653
  506   HH11  ARG  12          HH11      ARG  12  -2.723 -12.402 -13.409
  507   HH12  ARG  12          HH12      ARG  12  -1.377 -13.241 -14.104
  508   HH21  ARG  12          HH21      ARG  12   0.895 -10.638 -13.569
  509   HH22  ARG  12          HH22      ARG  12   0.680 -12.238 -14.194
  510    H    GLU  13           HN       GLU  13  -6.217  -6.266 -10.905
  511    HA   GLU  13           HA       GLU  13  -4.179  -4.428 -10.784
  512    HB2  GLU  13           HB2      GLU  13  -6.590  -4.004 -11.364
  513    HB3  GLU  13           HB1      GLU  13  -6.930  -3.972  -9.638
  514    HG2  GLU  13           HG2      GLU  13  -6.702  -1.732 -10.325
  515    HG3  GLU  13           HG1      GLU  13  -5.233  -2.144  -9.443
  516    H    ASN  14           HN       ASN  14  -6.065  -5.713  -8.058
  517    HA   ASN  14           HA       ASN  14  -4.819  -4.138  -6.045
  518    HB2  ASN  14           HB2      ASN  14  -6.161  -6.832  -5.753
  519    HB3  ASN  14           HB1      ASN  14  -5.876  -5.650  -4.478
  520   HD21  ASN  14          HD21      ASN  14  -8.379  -6.788  -5.278
  521   HD22  ASN  14          HD22      ASN  14  -9.385  -5.485  -5.801
  522    H    PHE  15           HN       PHE  15  -4.254  -7.428  -7.239
  523    HA   PHE  15           HA       PHE  15  -2.256  -8.185  -5.455
  524    HB2  PHE  15           HB2      PHE  15  -3.410  -9.708  -7.024
  525    HB3  PHE  15           HB1      PHE  15  -2.523  -8.980  -8.359
  526    HD1  PHE  15           HD2      PHE  15  -1.362 -10.005  -4.960
  527    HD2  PHE  15           HD1      PHE  15  -1.128 -10.622  -9.173
  528    HE1  PHE  15           HE2      PHE  15   0.446 -11.612  -4.618
  529    HE2  PHE  15           HE1      PHE  15   0.710 -12.230  -8.823
  530    HZ   PHE  15           HZ       PHE  15   1.495 -12.721  -6.535
  531    H    GLU  16           HN       GLU  16  -1.965  -6.539  -8.596
  532    HA   GLU  16           HA       GLU  16   0.869  -6.391  -8.664
  533    HB2  GLU  16           HB2      GLU  16  -1.226  -4.627  -9.941
  534    HB3  GLU  16           HB1      GLU  16   0.491  -4.576 -10.316
  535    HG2  GLU  16           HG2      GLU  16   0.390  -6.891 -11.092
  536    HG3  GLU  16           HG1      GLU  16  -1.334  -6.935 -10.724
  537    H    ILE  17           HN       ILE  17  -1.524  -4.019  -7.453
  538    HA   ILE  17           HA       ILE  17   0.419  -2.069  -6.815
  539    HB   ILE  17           HB       ILE  17  -2.422  -2.484  -6.185
  540   HG12  ILE  17          HG12      ILE  17  -0.976   0.112  -6.590
  541   HG13  ILE  17          HG11      ILE  17  -1.249  -0.971  -7.947
  542   HG21  ILE  17          HG21      ILE  17  -2.477  -0.813  -4.401
  543   HG22  ILE  17          HG22      ILE  17  -0.713  -0.752  -4.401
  544   HG23  ILE  17          HG23      ILE  17  -1.546  -2.231  -3.912
  545   HD11  ILE  17          HD11      ILE  17  -3.408   0.142  -6.174
  546   HD12  ILE  17          HD12      ILE  17  -3.627  -0.805  -7.647
  547   HD13  ILE  17          HD13      ILE  17  -2.930   0.816  -7.733
  548    H    LEU  18           HN       LEU  18  -0.925  -4.789  -4.944
  549    HA   LEU  18           HA       LEU  18   0.449  -4.063  -2.530
  550    HB2  LEU  18           HB2      LEU  18  -1.148  -6.431  -3.452
  551    HB3  LEU  18           HB1      LEU  18  -0.269  -6.457  -1.935
  552    HG   LEU  18           HG       LEU  18  -2.071  -4.145  -2.347
  553   HD11  LEU  18          HD11      LEU  18  -4.074  -5.297  -1.952
  554   HD12  LEU  18          HD12      LEU  18  -3.235  -6.798  -1.574
  555   HD13  LEU  18          HD13      LEU  18  -3.279  -6.209  -3.235
  556   HD21  LEU  18          HD21      LEU  18  -0.828  -4.382  -0.293
  557   HD22  LEU  18          HD22      LEU  18  -1.465  -6.009  -0.056
  558   HD23  LEU  18          HD23      LEU  18  -2.545  -4.617   0.032
  559    H    MET  19           HN       MET  19   1.003  -6.234  -5.255
  560    HA   MET  19           HA       MET  19   3.167  -7.645  -4.105
  561    HB2  MET  19           HB2      MET  19   1.748  -8.072  -6.333
  562    HB3  MET  19           HB1      MET  19   3.095  -7.218  -7.065
  563    HG2  MET  19           HG2      MET  19   3.173  -9.797  -5.529
  564    HG3  MET  19           HG1      MET  19   3.491  -9.545  -7.240
  565    HE1  MET  19           HE1      MET  19   6.827 -10.626  -5.230
  566    HE2  MET  19           HE2      MET  19   5.798 -11.126  -6.572
  567    HE3  MET  19           HE3      MET  19   5.141 -11.063  -4.934
  568    H    LYS  20           HN       LYS  20   3.100  -4.887  -6.338
  569    HA   LYS  20           HA       LYS  20   5.847  -4.389  -6.489
  570    HB2  LYS  20           HB2      LYS  20   3.798  -3.290  -7.690
  571    HB3  LYS  20           HB1      LYS  20   3.853  -2.167  -6.340
  572    HG2  LYS  20           HG2      LYS  20   6.268  -2.743  -8.023
  573    HG3  LYS  20           HG1      LYS  20   5.085  -1.512  -8.465
  574    HD2  LYS  20           HD2      LYS  20   5.446  -0.503  -6.187
  575    HD3  LYS  20           HD1      LYS  20   6.795  -1.622  -5.988
  576    HE2  LYS  20           HE2      LYS  20   6.524   0.395  -8.212
  577    HE3  LYS  20           HE1      LYS  20   7.507   0.608  -6.764
  578    HZ1  LYS  20           HZ1      LYS  20   8.801  -1.338  -7.418
  579    HZ2  LYS  20           HZ2      LYS  20   8.851  -0.141  -8.612
  580    HZ3  LYS  20           HZ3      LYS  20   7.870  -1.503  -8.822
  581    H    LEU  21           HN       LEU  21   3.401  -3.485  -4.165
  582    HA   LEU  21           HA       LEU  21   5.055  -1.835  -2.565
  583    HB2  LEU  21           HB2      LEU  21   2.458  -2.027  -2.700
  584    HB3  LEU  21           HB1      LEU  21   2.641  -3.363  -1.593
  585    HG   LEU  21           HG       LEU  21   3.095  -0.449  -1.105
  586   HD11  LEU  21          HD11      LEU  21   1.507  -2.591   0.286
  587   HD12  LEU  21          HD12      LEU  21   0.872  -1.317  -0.751
  588   HD13  LEU  21          HD13      LEU  21   1.613  -0.908   0.795
  589   HD21  LEU  21          HD21      LEU  21   5.070  -1.516  -0.192
  590   HD22  LEU  21          HD22      LEU  21   4.070  -2.713   0.630
  591   HD23  LEU  21          HD23      LEU  21   3.993  -1.017   1.111
  592    H    LYS  22           HN       LYS  22   4.157  -5.236  -2.392
  593    HA   LYS  22           HA       LYS  22   5.233  -5.956   0.021
  594    HB2  LYS  22           HB2      LYS  22   3.944  -7.477  -1.344
  595    HB3  LYS  22           HB1      LYS  22   5.158  -7.436  -2.612
  596    HG2  LYS  22           HG2      LYS  22   6.705  -8.650  -1.269
  597    HG3  LYS  22           HG1      LYS  22   5.652  -8.529   0.143
  598    HD2  LYS  22           HD2      LYS  22   4.679 -10.434  -0.468
  599    HD3  LYS  22           HD1      LYS  22   4.095  -9.628  -1.923
  600    HE2  LYS  22           HE2      LYS  22   6.312 -10.173  -2.982
  601    HE3  LYS  22           HE1      LYS  22   6.649 -11.178  -1.573
  602    HZ1  LYS  22           HZ1      LYS  22   5.760 -12.489  -3.386
  603    HZ2  LYS  22           HZ2      LYS  22   4.369 -11.528  -3.441
  604    HZ3  LYS  22           HZ3      LYS  22   4.682 -12.485  -2.083
  605    H    GLU  23           HN       GLU  23   6.816  -5.526  -3.097
  606    HA   GLU  23           HA       GLU  23   9.403  -6.349  -2.242
  607    HB2  GLU  23           HB2      GLU  23   8.529  -4.585  -4.540
  608    HB3  GLU  23           HB1      GLU  23  10.182  -5.115  -4.286
  609    HG2  GLU  23           HG2      GLU  23   8.117  -6.408  -5.698
  610    HG3  GLU  23           HG1      GLU  23   9.774  -6.937  -5.449
  611    H    SER  24           HN       SER  24   7.884  -3.128  -2.532
  612    HA   SER  24           HA       SER  24  10.136  -1.709  -1.742
  613    HB2  SER  24           HB2      SER  24   8.654   0.162  -1.259
  614    HB3  SER  24           HB1      SER  24   8.101  -0.665  -2.711
  615    HG   SER  24           HG       SER  24   6.382  -0.201  -1.279
  616    H    LEU  25           HN       LEU  25   7.511  -2.998   0.301
  617    HA   LEU  25           HA       LEU  25   8.492  -1.992   2.769
  618    HB2  LEU  25           HB2      LEU  25   6.538  -4.081   1.941
  619    HB3  LEU  25           HB1      LEU  25   7.118  -4.095   3.595
  620    HG   LEU  25           HG       LEU  25   5.824  -1.697   2.295
  621   HD11  LEU  25          HD11      LEU  25   4.635  -3.815   4.078
  622   HD12  LEU  25          HD12      LEU  25   4.202  -3.473   2.403
  623   HD13  LEU  25          HD13      LEU  25   3.854  -2.290   3.662
  624   HD21  LEU  25          HD21      LEU  25   5.650  -0.843   4.542
  625   HD22  LEU  25          HD22      LEU  25   7.335  -1.240   4.201
  626   HD23  LEU  25          HD23      LEU  25   6.357  -2.320   5.196
  627    H    GLU  26           HN       GLU  26   8.920  -5.125   1.166
  628    HA   GLU  26           HA       GLU  26  10.480  -6.257   3.249
  629    HB2  GLU  26           HB2      GLU  26  10.141  -6.972   0.345
  630    HB3  GLU  26           HB1      GLU  26  11.173  -7.891   1.433
  631    HG2  GLU  26           HG2      GLU  26   9.158  -8.189   2.910
  632    HG3  GLU  26           HG1      GLU  26   8.198  -7.510   1.597
  633    H    LEU  27           HN       LEU  27  11.307  -4.593   0.241
  634    HA   LEU  27           HA       LEU  27  14.124  -4.899   0.430
  635    HB2  LEU  27           HB2      LEU  27  12.320  -3.046  -1.088
  636    HB3  LEU  27           HB1      LEU  27  14.063  -2.852  -1.121
  637    HG   LEU  27           HG       LEU  27  12.716  -5.438  -1.891
  638   HD11  LEU  27          HD11      LEU  27  11.909  -3.599  -3.325
  639   HD12  LEU  27          HD12      LEU  27  12.890  -4.776  -4.196
  640   HD13  LEU  27          HD13      LEU  27  13.583  -3.221  -3.736
  641   HD21  LEU  27          HD21      LEU  27  15.063  -5.630  -1.336
  642   HD22  LEU  27          HD22      LEU  27  15.455  -4.291  -2.417
  643   HD23  LEU  27          HD23      LEU  27  14.844  -5.808  -3.077
  644    H    MET  28           HN       MET  28  11.919  -2.438   1.766
  645    HA   MET  28           HA       MET  28  13.860  -0.593   2.323
  646    HB2  MET  28           HB2      MET  28  11.399  -0.259   2.713
  647    HB3  MET  28           HB1      MET  28  11.546  -1.217   4.181
  648    HG2  MET  28           HG2      MET  28  13.379   0.525   4.795
  649    HG3  MET  28           HG1      MET  28  12.567   1.513   3.591
  650    HE1  MET  28           HE1      MET  28   9.303   1.425   4.129
  651    HE2  MET  28           HE2      MET  28  10.585   2.544   3.671
  652    HE3  MET  28           HE3      MET  28   9.593   2.870   5.095
  653    H    GLU  29           HN       GLU  29  13.700  -3.738   3.596
  654    HA   GLU  29           HA       GLU  29  15.140  -3.095   6.040
  655    HB2  GLU  29           HB2      GLU  29  14.693  -5.233   6.725
  656    HB3  GLU  29           HB1      GLU  29  13.329  -4.953   5.653
  657    HG2  GLU  29           HG2      GLU  29  14.594  -6.109   3.849
  658    HG3  GLU  29           HG1      GLU  29  15.837  -6.496   5.037
  659    H    LEU  30           HN       LEU  30  15.810  -4.039   2.785
  660    HA   LEU  30           HA       LEU  30  18.441  -5.060   3.476
  661    HB2  LEU  30           HB2      LEU  30  18.345  -6.229   1.588
  662    HB3  LEU  30           HB1      LEU  30  16.653  -5.789   1.557
  663    HG   LEU  30           HG       LEU  30  18.815  -4.267   0.119
  664   HD11  LEU  30          HD11      LEU  30  18.029  -5.359  -1.903
  665   HD12  LEU  30          HD12      LEU  30  16.851  -6.282  -0.966
  666   HD13  LEU  30          HD13      LEU  30  18.577  -6.564  -0.736
  667   HD21  LEU  30          HD21      LEU  30  15.817  -4.146   0.000
  668   HD22  LEU  30          HD22      LEU  30  16.892  -3.348  -1.145
  669   HD23  LEU  30          HD23      LEU  30  16.913  -2.882   0.555
  670    H    VAL  31           HN       VAL  31  17.178  -2.132   3.236
  671    HA   VAL  31           HA       VAL  31  19.461  -0.929   1.850
  672    HB   VAL  31           HB       VAL  31  17.463   0.873   3.028
  673   HG11  VAL  31          HG11      VAL  31  19.160   0.660   0.643
  674   HG12  VAL  31          HG12      VAL  31  18.786   2.053   1.658
  675   HG13  VAL  31          HG13      VAL  31  17.636   1.517   0.436
  676   HG21  VAL  31          HG21      VAL  31  15.936  -0.885   2.398
  677   HG22  VAL  31          HG22      VAL  31  16.665  -0.987   0.798
  678   HG23  VAL  31          HG23      VAL  31  15.782   0.463   1.272
  679    HA   PRO  32           HA       PRO  32  21.646  -0.540   5.720
  680    HB2  PRO  32           HB2      PRO  32  22.459   2.012   4.358
  681    HB3  PRO  32           HB1      PRO  32  23.455   0.862   5.259
  682    HG2  PRO  32           HG2      PRO  32  23.417   0.853   2.586
  683    HG3  PRO  32           HG1      PRO  32  23.526  -0.653   3.513
  684    HD2  PRO  32           HD2      PRO  32  21.259   0.438   1.959
  685    HD3  PRO  32           HD1      PRO  32  21.617  -1.243   2.405
  686    H    GLN  33           HN       GLN  33  20.818   0.201   7.584
  687    HA   GLN  33           HA       GLN  33  18.607   1.829   7.807
  688    HB2  GLN  33           HB2      GLN  33  19.391   0.314   9.577
  689    HB3  GLN  33           HB1      GLN  33  20.738   1.392   9.903
  690    HG2  GLN  33           HG2      GLN  33  18.971   1.694  11.530
  691    HG3  GLN  33           HG1      GLN  33  19.188   3.151  10.562
  692   HE21  GLN  33          HE21      GLN  33  17.120   3.891  10.998
  693   HE22  GLN  33          HE22      GLN  33  15.712   3.169  10.306
  694    HA   PRO  34           HA       PRO  34  21.644   5.534   8.966
  695    HB2  PRO  34           HB2      PRO  34  23.815   4.862   7.051
  696    HB3  PRO  34           HB1      PRO  34  23.916   5.574   8.665
  697    HG2  PRO  34           HG2      PRO  34  24.603   3.037   8.257
  698    HG3  PRO  34           HG1      PRO  34  23.736   3.520   9.727
  699    HD2  PRO  34           HD2      PRO  34  22.703   2.148   7.279
  700    HD3  PRO  34           HD1      PRO  34  22.291   1.876   8.984
  701    H    LEU  35           HN       LEU  35  21.421   4.051   5.773
  702    HA   LEU  35           HA       LEU  35  21.422   6.545   4.355
  703    HB2  LEU  35           HB2      LEU  35  22.321   4.517   3.343
  704    HB3  LEU  35           HB1      LEU  35  20.777   3.712   3.524
  705    HG   LEU  35           HG       LEU  35  19.789   5.264   1.907
  706   HD11  LEU  35          HD11      LEU  35  22.590   6.313   1.592
  707   HD12  LEU  35          HD12      LEU  35  21.221   7.193   2.272
  708   HD13  LEU  35          HD13      LEU  35  21.211   6.725   0.571
  709   HD21  LEU  35          HD21      LEU  35  20.685   3.126   1.162
  710   HD22  LEU  35          HD22      LEU  35  22.264   3.871   0.916
  711   HD23  LEU  35          HD23      LEU  35  20.892   4.368  -0.074
  712    H    VAL  36           HN       VAL  36  19.073   4.348   5.703
  713    HA   VAL  36           HA       VAL  36  16.790   5.518   4.386
  714    HB   VAL  36           HB       VAL  36  16.993   3.710   6.810
  715   HG11  VAL  36          HG11      VAL  36  14.538   3.434   6.576
  716   HG12  VAL  36          HG12      VAL  36  14.536   4.752   5.405
  717   HG13  VAL  36          HG13      VAL  36  15.014   5.057   7.074
  718   HG21  VAL  36          HG21      VAL  36  16.085   2.008   5.321
  719   HG22  VAL  36          HG22      VAL  36  17.583   2.673   4.669
  720   HG23  VAL  36          HG23      VAL  36  16.029   3.176   4.001
  721    H    ASP  37           HN       ASP  37  18.426   5.962   7.487
  722    HA   ASP  37           HA       ASP  37  16.577   7.721   8.643
  723    HB2  ASP  37           HB2      ASP  37  19.589   7.591   8.937
  724    HB3  ASP  37           HB1      ASP  37  18.538   8.570   9.955
  725    H    SER  38           HN       SER  38  19.365   8.317   6.486
  726    HA   SER  38           HA       SER  38  19.209  11.098   6.435
  727    HB2  SER  38           HB2      SER  38  21.086   9.835   5.472
  728    HB3  SER  38           HB1      SER  38  20.029   9.231   4.196
  729    HG   SER  38           HG       SER  38  21.386  11.522   4.281
  730    H    TYR  39           HN       TYR  39  17.556   8.709   4.385
  731    HA   TYR  39           HA       TYR  39  16.243  10.531   2.708
  732    HB2  TYR  39           HB2      TYR  39  16.121   8.360   1.922
  733    HB3  TYR  39           HB1      TYR  39  15.760   7.693   3.511
  734    HD1  TYR  39           HD1      TYR  39  14.314   9.597   0.683
  735    HD2  TYR  39           HD2      TYR  39  13.530   7.349   4.207
  736    HE1  TYR  39           HE1      TYR  39  11.923   9.564   0.125
  737    HE2  TYR  39           HE2      TYR  39  11.145   7.309   3.664
  738    HH   TYR  39           HH       TYR  39   9.934   8.366   0.602
  739    H    ARG  40           HN       ARG  40  15.232   9.046   5.759
  740    HA   ARG  40           HA       ARG  40  12.647  10.054   5.912
  741    HB2  ARG  40           HB2      ARG  40  14.652   9.378   8.064
  742    HB3  ARG  40           HB1      ARG  40  12.996   9.851   8.426
  743    HG2  ARG  40           HG2      ARG  40  12.194   7.943   7.084
  744    HG3  ARG  40           HG1      ARG  40  13.871   7.455   6.828
  745    HD2  ARG  40           HD2      ARG  40  14.147   7.275   9.281
  746    HD3  ARG  40           HD1      ARG  40  12.437   7.657   9.473
  747    HE   ARG  40           HE       ARG  40  12.619   5.482   7.748
  748   HH11  ARG  40          HH11      ARG  40  13.340   6.249  11.070
  749   HH12  ARG  40          HH12      ARG  40  13.092   4.630  11.633
  750   HH21  ARG  40          HH21      ARG  40  12.291   3.347   8.480
  751   HH22  ARG  40          HH22      ARG  40  12.496   2.981  10.161
  752    H    GLN  41           HN       GLN  41  15.713  11.572   6.668
  753    HA   GLN  41           HA       GLN  41  14.648  13.897   7.929
  754    HB2  GLN  41           HB2      GLN  41  17.270  13.489   6.474
  755    HB3  GLN  41           HB1      GLN  41  16.873  14.885   7.466
  756    HG2  GLN  41           HG2      GLN  41  16.657  13.431   9.420
  757    HG3  GLN  41           HG1      GLN  41  17.075  12.040   8.421
  758   HE21  GLN  41          HE21      GLN  41  18.417  13.128  10.772
  759   HE22  GLN  41          HE22      GLN  41  20.034  13.484  10.279
  760    H    GLN  42           HN       GLN  42  15.695  13.219   4.600
  761    HA   GLN  42           HA       GLN  42  15.140  15.759   3.548
  762    HB2  GLN  42           HB2      GLN  42  16.479  14.062   2.369
  763    HB3  GLN  42           HB1      GLN  42  15.037  13.082   2.144
  764    HG2  GLN  42           HG2      GLN  42  14.046  14.872   0.793
  765    HG3  GLN  42           HG1      GLN  42  15.516  15.823   0.997
  766   HE21  GLN  42          HE21      GLN  42  14.075  13.057  -0.528
  767   HE22  GLN  42          HE22      GLN  42  15.343  12.767  -1.666
  768    H    GLN  43           HN       GLN  43  13.078  13.027   4.229
  769    HA   GLN  43           HA       GLN  43  10.830  14.086   2.759
  770    HB2  GLN  43           HB2      GLN  43  11.194  11.646   3.029
  771    HB3  GLN  43           HB1      GLN  43  10.926  11.818   4.758
  772    HG2  GLN  43           HG2      GLN  43   8.949  10.977   3.602
  773    HG3  GLN  43           HG1      GLN  43   8.649  12.537   4.365
  774   HE21  GLN  43          HE21      GLN  43   8.309  14.341   3.090
  775   HE22  GLN  43          HE22      GLN  43   7.980  14.235   1.398
  776    H    GLN  44           HN       GLN  44  11.953  13.983   6.081
  777    HA   GLN  44           HA       GLN  44   9.595  14.912   7.319
  778    HB2  GLN  44           HB2      GLN  44  11.644  13.878   8.436
  779    HB3  GLN  44           HB1      GLN  44  12.395  15.463   8.298
  780    HG2  GLN  44           HG2      GLN  44  11.483  15.236  10.492
  781    HG3  GLN  44           HG1      GLN  44  10.518  16.414   9.602
  782   HE21  GLN  44          HE21      GLN  44   8.429  15.856   8.940
  783   HE22  GLN  44          HE22      GLN  44   7.572  14.532   9.647
  784    H    LEU  45           HN       LEU  45  12.022  16.442   5.451
  785    HA   LEU  45           HA       LEU  45  11.954  19.074   6.323
  786    HB2  LEU  45           HB2      LEU  45  13.566  18.510   4.716
  787    HB3  LEU  45           HB1      LEU  45  12.379  17.799   3.641
  788    HG   LEU  45           HG       LEU  45  11.535  20.371   3.643
  789   HD11  LEU  45          HD11      LEU  45  13.319  21.176   5.051
  790   HD12  LEU  45          HD12      LEU  45  13.529  21.799   3.414
  791   HD13  LEU  45          HD13      LEU  45  14.526  20.460   3.983
  792   HD21  LEU  45          HD21      LEU  45  13.642  19.115   1.893
  793   HD22  LEU  45          HD22      LEU  45  12.736  20.574   1.493
  794   HD23  LEU  45          HD23      LEU  45  11.893  19.033   1.670
  795    H    LEU  46           HN       LEU  46   9.833  17.435   3.996
  796    HA   LEU  46           HA       LEU  46   8.038  19.766   4.087
  797    HB2  LEU  46           HB2      LEU  46   8.406  17.648   1.982
  798    HB3  LEU  46           HB1      LEU  46   7.119  18.838   1.945
  799    HG   LEU  46           HG       LEU  46  10.047  19.554   1.952
  800   HD11  LEU  46          HD11      LEU  46   9.713  18.380  -0.074
  801   HD12  LEU  46          HD12      LEU  46   9.633  20.096  -0.471
  802   HD13  LEU  46          HD13      LEU  46   8.149  19.151  -0.344
  803   HD21  LEU  46          HD21      LEU  46   9.267  21.735   1.256
  804   HD22  LEU  46          HD22      LEU  46   8.493  21.275   2.772
  805   HD23  LEU  46          HD23      LEU  46   7.599  21.162   1.256
  806    H    GLN  47           HN       GLN  47   7.620  16.311   3.308
  807    HA   GLN  47           HA       GLN  47   6.033  14.804   3.921
  808    HB2  GLN  47           HB2      GLN  47   7.178  15.636   6.205
  809    HB3  GLN  47           HB1      GLN  47   5.528  16.157   6.517
  810    HG2  GLN  47           HG2      GLN  47   6.293  13.358   5.734
  811    HG3  GLN  47           HG1      GLN  47   6.089  13.903   7.397
  812   HE21  GLN  47          HE21      GLN  47   4.493  13.182   4.396
  813   HE22  GLN  47          HE22      GLN  47   2.886  13.130   5.027
  814    H    ARG  48           HN       ARG  48   5.149  16.992   2.419
  815    HA   ARG  48           HA       ARG  48   2.343  17.054   3.223
  816    HB2  ARG  48           HB2      ARG  48   3.973  19.508   2.558
  817    HB3  ARG  48           HB1      ARG  48   2.217  19.486   2.630
  818    HG2  ARG  48           HG2      ARG  48   2.302  18.882   4.976
  819    HG3  ARG  48           HG1      ARG  48   4.065  18.850   4.914
  820    HD2  ARG  48           HD2      ARG  48   2.302  21.249   4.431
  821    HD3  ARG  48           HD1      ARG  48   3.267  20.942   5.874
  822    HE   ARG  48           HE       ARG  48   4.882  20.939   3.536
  823   HH11  ARG  48          HH11      ARG  48   3.227  23.050   5.761
  824   HH12  ARG  48          HH12      ARG  48   4.289  24.389   5.481
  825   HH21  ARG  48          HH21      ARG  48   6.286  22.697   3.163
  826   HH22  ARG  48          HH22      ARG  48   6.028  24.188   4.005
  827    H    ASP   1           HT1      ASP   1  -5.171  14.401  16.455
  828    HA   ASP   1           HA       ASP   1  -6.549  15.684  14.171
  829    HB2  ASP   1           HB2      ASP   1  -3.602  15.183  14.650
  830    HB3  ASP   1           HB1      ASP   1  -4.302  15.856  13.181
  831    H    GLU   2           HN       GLU   2  -7.237  14.300  12.687
  832    HA   GLU   2           HA       GLU   2  -5.802  11.955  11.942
  833    HB2  GLU   2           HB2      GLU   2  -7.437  10.279  12.616
  834    HB3  GLU   2           HB1      GLU   2  -6.814  11.123  14.027
  835    HG2  GLU   2           HG2      GLU   2  -8.837  12.509  14.075
  836    HG3  GLU   2           HG1      GLU   2  -9.464  11.618  12.688
  837    H    ASP   3           HN       ASP   3  -7.375  14.433  11.014
  838    HA   ASP   3           HA       ASP   3  -9.396  13.290   9.299
  839    HB2  ASP   3           HB2      ASP   3  -9.633  15.610   8.444
  840    HB3  ASP   3           HB1      ASP   3  -9.773  15.512  10.196
  841    H    THR   4           HN       THR   4  -8.605  15.257   7.093
  842    HA   THR   4           HA       THR   4  -7.111  13.370   5.575
  843    HB   THR   4           HB       THR   4  -7.226  16.082   4.495
  844    HG1  THR   4           HG1      THR   4  -9.698  15.029   4.259
  845   HG21  THR   4          HG21      THR   4  -6.625  14.138   3.137
  846   HG22  THR   4          HG22      THR   4  -8.098  14.898   2.532
  847   HG23  THR   4          HG23      THR   4  -8.196  13.411   3.481
  848    H    TYR   5           HN       TYR   5  -5.096  13.442   4.842
  849    HA   TYR   5           HA       TYR   5  -3.234  15.294   6.173
  850    HB2  TYR   5           HB2      TYR   5  -3.078  12.332   5.783
  851    HB3  TYR   5           HB1      TYR   5  -1.659  13.316   6.127
  852    HD1  TYR   5           HD1      TYR   5  -1.649  14.699   8.253
  853    HD2  TYR   5           HD2      TYR   5  -4.499  11.632   7.510
  854    HE1  TYR   5           HE1      TYR   5  -2.137  14.580  10.657
  855    HE2  TYR   5           HE2      TYR   5  -4.994  11.500   9.913
  856    HH   TYR   5           HH       TYR   5  -4.144  12.086  12.009
  857    H    TYR   6           HN       TYR   6  -1.128  15.506   4.886
  858    HA   TYR   6           HA       TYR   6  -1.576  14.822   2.066
  859    HB2  TYR   6           HB2      TYR   6   0.373  16.929   3.022
  860    HB3  TYR   6           HB1      TYR   6  -0.295  16.722   1.409
  861    HD1  TYR   6           HD2      TYR   6  -3.181  16.387   2.135
  862    HD2  TYR   6           HD1      TYR   6  -0.261  19.150   3.514
  863    HE1  TYR   6           HE2      TYR   6  -4.964  17.994   2.635
  864    HE2  TYR   6           HE1      TYR   6  -2.033  20.774   4.029
  865    HH   TYR   6           HH       TYR   6  -5.327  19.945   4.096
  866    H    LEU   7           HN       LEU   7  -0.310  13.481   1.089
  867    HA   LEU   7           HA       LEU   7   2.103  12.504   2.487
  868    HB2  LEU   7           HB2      LEU   7  -0.199  11.216   1.707
  869    HB3  LEU   7           HB1      LEU   7   0.867  10.909   0.365
  870    HG   LEU   7           HG       LEU   7   2.141   9.445   1.535
  871   HD11  LEU   7          HD11      LEU   7   1.749   9.643   4.250
  872   HD12  LEU   7          HD12      LEU   7   1.889  11.318   3.711
  873   HD13  LEU   7          HD13      LEU   7   3.173  10.168   3.351
  874   HD21  LEU   7          HD21      LEU   7  -0.334   9.297   3.211
  875   HD22  LEU   7          HD22      LEU   7   0.717   7.977   2.693
  876   HD23  LEU   7          HD23      LEU   7  -0.289   8.822   1.513
  877    H    GLN   8           HN       GLN   8   3.843  13.562   1.494
  878    HA   GLN   8           HA       GLN   8   3.735  14.030  -1.305
  879    HB2  GLN   8           HB2      GLN   8   5.083  15.196   0.736
  880    HB3  GLN   8           HB1      GLN   8   6.359  14.254  -0.024
  881    HG2  GLN   8           HG2      GLN   8   5.489  15.302  -2.217
  882    HG3  GLN   8           HG1      GLN   8   4.741  16.485  -1.147
  883   HE21  GLN   8          HE21      GLN   8   7.062  16.124   0.757
  884   HE22  GLN   8          HE22      GLN   8   8.329  17.064   0.060
  885    H    VAL   9           HN       VAL   9   4.036  12.574  -2.767
  886    HA   VAL   9           HA       VAL   9   5.890  10.405  -2.154
  887    HB   VAL   9           HB       VAL   9   3.313  10.316  -3.709
  888   HG11  VAL   9          HG11      VAL   9   3.845   7.948  -4.218
  889   HG12  VAL   9          HG12      VAL   9   5.493   8.246  -3.663
  890   HG13  VAL   9          HG13      VAL   9   4.861   9.114  -5.063
  891   HG21  VAL   9          HG21      VAL   9   3.293  10.042  -1.234
  892   HG22  VAL   9          HG22      VAL   9   4.269   8.587  -1.443
  893   HG23  VAL   9          HG23      VAL   9   2.646   8.665  -2.125
  894    H    ARG  10           HN       ARG  10   7.576  10.111  -3.491
  895    HA   ARG  10           HA       ARG  10   7.687  11.875  -5.835
  896    HB2  ARG  10           HB2      ARG  10   9.477  11.934  -3.974
  897    HB3  ARG  10           HB1      ARG  10  10.035  10.406  -4.638
  898    HG2  ARG  10           HG2      ARG  10   9.707  12.761  -6.437
  899    HG3  ARG  10           HG1      ARG  10  11.122  12.644  -5.390
  900    HD2  ARG  10           HD2      ARG  10  11.639  10.447  -6.358
  901    HD3  ARG  10           HD1      ARG  10  10.239  10.593  -7.419
  902    HE   ARG  10           HE       ARG  10  11.901  12.830  -7.773
  903   HH11  ARG  10          HH11      ARG  10  11.837   9.403  -8.411
  904   HH12  ARG  10          HH12      ARG  10  12.859   9.514  -9.804
  905   HH21  ARG  10          HH21      ARG  10  13.246  12.983  -9.607
  906   HH22  ARG  10          HH22      ARG  10  13.659  11.548 -10.485
  907    H    GLY  11           HN       GLY  11   8.042  11.135  -7.844
  908    HA2  GLY  11           HA2      GLY  11   8.520   9.524  -9.502
  909    HA3  GLY  11           HA1      GLY  11   8.561   8.285  -8.253
  910    H    ARG  12           HN       ARG  12   6.931   9.188 -10.881
  911    HA   ARG  12           HA       ARG  12   4.237   9.195 -10.264
  912    HB2  ARG  12           HB2      ARG  12   5.426   9.511 -12.536
  913    HB3  ARG  12           HB1      ARG  12   5.285   7.764 -12.688
  914    HG2  ARG  12           HG2      ARG  12   3.440   8.684 -13.823
  915    HG3  ARG  12           HG1      ARG  12   2.815   8.046 -12.302
  916    HD2  ARG  12           HD2      ARG  12   2.941  10.319 -11.342
  917    HD3  ARG  12           HD1      ARG  12   3.460  10.926 -12.914
  918    HE   ARG  12           HE       ARG  12   0.881   9.543 -12.650
  919   HH11  ARG  12          HH11      ARG  12   2.723  12.404 -13.406
  920   HH12  ARG  12          HH12      ARG  12   1.375  13.243 -14.099
  921   HH21  ARG  12          HH21      ARG  12  -0.895  10.639 -13.564
  922   HH22  ARG  12          HH22      ARG  12  -0.680  12.241 -14.188
  923    H    GLU  13           HN       GLU  13   6.218   6.270 -10.902
  924    HA   GLU  13           HA       GLU  13   4.181   4.431 -10.781
  925    HB2  GLU  13           HB2      GLU  13   6.592   4.009 -11.361
  926    HB3  GLU  13           HB1      GLU  13   6.932   3.976  -9.635
  927    HG2  GLU  13           HG2      GLU  13   6.707   1.737 -10.321
  928    HG3  GLU  13           HG1      GLU  13   5.237   2.148  -9.439
  929    H    ASN  14           HN       ASN  14   6.066   5.716  -8.055
  930    HA   ASN  14           HA       ASN  14   4.821   4.141  -6.042
  931    HB2  ASN  14           HB2      ASN  14   6.162   6.835  -5.749
  932    HB3  ASN  14           HB1      ASN  14   5.878   5.654  -4.474
  933   HD21  ASN  14          HD21      ASN  14   8.380   6.793  -5.275
  934   HD22  ASN  14          HD22      ASN  14   9.386   5.491  -5.797
  935    H    PHE  15           HN       PHE  15   4.255   7.431  -7.236
  936    HA   PHE  15           HA       PHE  15   2.257   8.187  -5.451
  937    HB2  PHE  15           HB2      PHE  15   3.411   9.711  -7.020
  938    HB3  PHE  15           HB1      PHE  15   2.524   8.983  -8.355
  939    HD1  PHE  15           HD2      PHE  15   1.363  10.008  -4.956
  940    HD2  PHE  15           HD1      PHE  15   1.129  10.624  -9.170
  941    HE1  PHE  15           HE2      PHE  15  -0.446  11.613  -4.615
  942    HE2  PHE  15           HE1      PHE  15  -0.711  12.231  -8.820
  943    HZ   PHE  15           HZ       PHE  15  -1.495  12.722  -6.532
  944    H    GLU  16           HN       GLU  16   1.966   6.542  -8.593
  945    HA   GLU  16           HA       GLU  16  -0.868   6.393  -8.660
  946    HB2  GLU  16           HB2      GLU  16   1.227   4.629  -9.938
  947    HB3  GLU  16           HB1      GLU  16  -0.490   4.579 -10.312
  948    HG2  GLU  16           HG2      GLU  16  -0.388   6.893 -11.089
  949    HG3  GLU  16           HG1      GLU  16   1.335   6.937 -10.721
  950    H    ILE  17           HN       ILE  17   1.526   4.021  -7.451
  951    HA   ILE  17           HA       ILE  17  -0.417   2.071  -6.813
  952    HB   ILE  17           HB       ILE  17   2.424   2.485  -6.182
  953   HG12  ILE  17          HG12      ILE  17   0.978  -0.111  -6.587
  954   HG13  ILE  17          HG11      ILE  17   1.251   0.972  -7.944
  955   HG21  ILE  17          HG21      ILE  17   2.479   0.815  -4.398
  956   HG22  ILE  17          HG22      ILE  17   0.715   0.754  -4.398
  957   HG23  ILE  17          HG23      ILE  17   1.548   2.233  -3.909
  958   HD11  ILE  17          HD11      ILE  17   3.410  -0.141  -6.171
  959   HD12  ILE  17          HD12      ILE  17   3.629   0.806  -7.644
  960   HD13  ILE  17          HD13      ILE  17   2.932  -0.816  -7.730
  961    H    LEU  18           HN       LEU  18   0.926   4.790  -4.941
  962    HA   LEU  18           HA       LEU  18  -0.448   4.063  -2.528
  963    HB2  LEU  18           HB2      LEU  18   1.149   6.431  -3.448
  964    HB3  LEU  18           HB1      LEU  18   0.270   6.457  -1.932
  965    HG   LEU  18           HG       LEU  18   2.072   4.147  -2.344
  966   HD11  LEU  18          HD11      LEU  18   4.075   5.300  -1.948
  967   HD12  LEU  18          HD12      LEU  18   3.234   6.801  -1.571
  968   HD13  LEU  18          HD13      LEU  18   3.278   6.211  -3.232
  969   HD21  LEU  18          HD21      LEU  18   0.830   4.383  -0.289
  970   HD22  LEU  18          HD22      LEU  18   1.466   6.010  -0.052
  971   HD23  LEU  18          HD23      LEU  18   2.546   4.619   0.036
  972    H    MET  19           HN       MET  19  -1.003   6.233  -5.253
  973    HA   MET  19           HA       MET  19  -3.167   7.646  -4.103
  974    HB2  MET  19           HB2      MET  19  -1.747   8.073  -6.330
  975    HB3  MET  19           HB1      MET  19  -3.092   7.218  -7.063
  976    HG2  MET  19           HG2      MET  19  -3.174   9.797  -5.528
  977    HG3  MET  19           HG1      MET  19  -3.491   9.544  -7.240
  978    HE1  MET  19           HE1      MET  19  -6.827  10.624  -5.227
  979    HE2  MET  19           HE2      MET  19  -5.799  11.126  -6.569
  980    HE3  MET  19           HE3      MET  19  -5.142  11.061  -4.932
  981    H    LYS  20           HN       LYS  20  -3.098   4.888  -6.335
  982    HA   LYS  20           HA       LYS  20  -5.844   4.388  -6.487
  983    HB2  LYS  20           HB2      LYS  20  -3.795   3.289  -7.688
  984    HB3  LYS  20           HB1      LYS  20  -3.850   2.166  -6.337
  985    HG2  LYS  20           HG2      LYS  20  -6.266   2.742  -8.020
  986    HG3  LYS  20           HG1      LYS  20  -5.083   1.511  -8.462
  987    HD2  LYS  20           HD2      LYS  20  -5.442   0.502  -6.184
  988    HD3  LYS  20           HD1      LYS  20  -6.792   1.621  -5.985
  989    HE2  LYS  20           HE2      LYS  20  -6.520  -0.395  -8.210
  990    HE3  LYS  20           HE1      LYS  20  -7.503  -0.610  -6.763
  991    HZ1  LYS  20           HZ1      LYS  20  -8.798   1.336  -7.416
  992    HZ2  LYS  20           HZ2      LYS  20  -8.848   0.139  -8.610
  993    HZ3  LYS  20           HZ3      LYS  20  -7.868   1.502  -8.820
  994    H    LEU  21           HN       LEU  21  -3.399   3.484  -4.162
  995    HA   LEU  21           HA       LEU  21  -5.053   1.835  -2.562
  996    HB2  LEU  21           HB2      LEU  21  -2.456   2.026  -2.698
  997    HB3  LEU  21           HB1      LEU  21  -2.639   3.363  -1.591
  998    HG   LEU  21           HG       LEU  21  -3.092   0.449  -1.102
  999   HD11  LEU  21          HD11      LEU  21  -1.506   2.591   0.290
 1000   HD12  LEU  21          HD12      LEU  21  -0.869   1.318  -0.748
 1001   HD13  LEU  21          HD13      LEU  21  -1.611   0.909   0.799
 1002   HD21  LEU  21          HD21      LEU  21  -5.067   1.516  -0.190
 1003   HD22  LEU  21          HD22      LEU  21  -4.068   2.712   0.633
 1004   HD23  LEU  21          HD23      LEU  21  -3.991   1.017   1.113
 1005    H    LYS  22           HN       LYS  22  -4.156   5.235  -2.390
 1006    HA   LYS  22           HA       LYS  22  -5.233   5.955   0.024
 1007    HB2  LYS  22           HB2      LYS  22  -3.945   7.476  -1.343
 1008    HB3  LYS  22           HB1      LYS  22  -5.159   7.434  -2.610
 1009    HG2  LYS  22           HG2      LYS  22  -6.706   8.649  -1.266
 1010    HG3  LYS  22           HG1      LYS  22  -5.652   8.527   0.146
 1011    HD2  LYS  22           HD2      LYS  22  -4.680  10.432  -0.464
 1012    HD3  LYS  22           HD1      LYS  22  -4.096   9.627  -1.920
 1013    HE2  LYS  22           HE2      LYS  22  -6.313  10.173  -2.978
 1014    HE3  LYS  22           HE1      LYS  22  -6.650  11.177  -1.569
 1015    HZ1  LYS  22           HZ1      LYS  22  -5.760  12.488  -3.382
 1016    HZ2  LYS  22           HZ2      LYS  22  -4.369  11.527  -3.436
 1017    HZ3  LYS  22           HZ3      LYS  22  -4.683  12.484  -2.078
 1018    H    GLU  23           HN       GLU  23  -6.814   5.526  -3.094
 1019    HA   GLU  23           HA       GLU  23  -9.402   6.348  -2.240
 1020    HB2  GLU  23           HB2      GLU  23  -8.527   4.584  -4.537
 1021    HB3  GLU  23           HB1      GLU  23 -10.180   5.113  -4.283
 1022    HG2  GLU  23           HG2      GLU  23  -8.118   6.407  -5.696
 1023    HG3  GLU  23           HG1      GLU  23  -9.775   6.935  -5.445
 1024    H    SER  24           HN       SER  24  -7.883   3.127  -2.531
 1025    HA   SER  24           HA       SER  24 -10.135   1.708  -1.741
 1026    HB2  SER  24           HB2      SER  24  -8.652  -0.162  -1.258
 1027    HB3  SER  24           HB1      SER  24  -8.100   0.664  -2.711
 1028    HG   SER  24           HG       SER  24  -6.380   0.199  -1.278
 1029    H    LEU  25           HN       LEU  25  -7.510   2.997   0.302
 1030    HA   LEU  25           HA       LEU  25  -8.490   1.990   2.771
 1031    HB2  LEU  25           HB2      LEU  25  -6.537   4.079   1.944
 1032    HB3  LEU  25           HB1      LEU  25  -7.116   4.093   3.597
 1033    HG   LEU  25           HG       LEU  25  -5.823   1.696   2.297
 1034   HD11  LEU  25          HD11      LEU  25  -4.633   3.813   4.080
 1035   HD12  LEU  25          HD12      LEU  25  -4.200   3.471   2.405
 1036   HD13  LEU  25          HD13      LEU  25  -3.853   2.288   3.665
 1037   HD21  LEU  25          HD21      LEU  25  -5.648   0.841   4.544
 1038   HD22  LEU  25          HD22      LEU  25  -7.333   1.237   4.203
 1039   HD23  LEU  25          HD23      LEU  25  -6.356   2.318   5.198
 1040    H    GLU  26           HN       GLU  26  -8.920   5.122   1.167
 1041    HA   GLU  26           HA       GLU  26 -10.480   6.254   3.251
 1042    HB2  GLU  26           HB2      GLU  26 -10.142   6.969   0.347
 1043    HB3  GLU  26           HB1      GLU  26 -11.174   7.888   1.435
 1044    HG2  GLU  26           HG2      GLU  26  -9.159   8.186   2.912
 1045    HG3  GLU  26           HG1      GLU  26  -8.199   7.507   1.599
 1046    H    LEU  27           HN       LEU  27 -11.306   4.589   0.243
 1047    HA   LEU  27           HA       LEU  27 -14.123   4.895   0.433
 1048    HB2  LEU  27           HB2      LEU  27 -12.319   3.044  -1.087
 1049    HB3  LEU  27           HB1      LEU  27 -14.061   2.849  -1.121
 1050    HG   LEU  27           HG       LEU  27 -12.715   5.436  -1.890
 1051   HD11  LEU  27          HD11      LEU  27 -11.909   3.596  -3.324
 1052   HD12  LEU  27          HD12      LEU  27 -12.889   4.773  -4.196
 1053   HD13  LEU  27          HD13      LEU  27 -13.583   3.219  -3.734
 1054   HD21  LEU  27          HD21      LEU  27 -15.063   5.627  -1.336
 1055   HD22  LEU  27          HD22      LEU  27 -15.454   4.289  -2.416
 1056   HD23  LEU  27          HD23      LEU  27 -14.844   5.806  -3.077
 1057    H    MET  28           HN       MET  28 -11.918   2.435   1.768
 1058    HA   MET  28           HA       MET  28 -13.857   0.589   2.324
 1059    HB2  MET  28           HB2      MET  28 -11.397   0.255   2.715
 1060    HB3  MET  28           HB1      MET  28 -11.544   1.213   4.183
 1061    HG2  MET  28           HG2      MET  28 -13.376  -0.528   4.798
 1062    HG3  MET  28           HG1      MET  28 -12.567  -1.516   3.593
 1063    HE1  MET  28           HE1      MET  28  -9.300  -1.428   4.130
 1064    HE2  MET  28           HE2      MET  28 -10.580  -2.548   3.671
 1065    HE3  MET  28           HE3      MET  28  -9.589  -2.874   5.094
 1066    H    GLU  29           HN       GLU  29 -13.698   3.734   3.598
 1067    HA   GLU  29           HA       GLU  29 -15.139   3.090   6.041
 1068    HB2  GLU  29           HB2      GLU  29 -14.693   5.227   6.727
 1069    HB3  GLU  29           HB1      GLU  29 -13.329   4.949   5.655
 1070    HG2  GLU  29           HG2      GLU  29 -14.595   6.105   3.851
 1071    HG3  GLU  29           HG1      GLU  29 -15.837   6.492   5.039
 1072    H    LEU  30           HN       LEU  30 -15.810   4.038   2.786
 1073    HA   LEU  30           HA       LEU  30 -18.441   5.056   3.477
 1074    HB2  LEU  30           HB2      LEU  30 -18.344   6.225   1.588
 1075    HB3  LEU  30           HB1      LEU  30 -16.653   5.784   1.559
 1076    HG   LEU  30           HG       LEU  30 -18.813   4.261   0.120
 1077   HD11  LEU  30          HD11      LEU  30 -18.029   5.353  -1.901
 1078   HD12  LEU  30          HD12      LEU  30 -16.851   6.277  -0.965
 1079   HD13  LEU  30          HD13      LEU  30 -18.576   6.558  -0.734
 1080   HD21  LEU  30          HD21      LEU  30 -15.814   4.143   0.001
 1081   HD22  LEU  30          HD22      LEU  30 -16.889   3.343  -1.144
 1082   HD23  LEU  30          HD23      LEU  30 -16.908   2.877   0.557
 1083    H    VAL  31           HN       VAL  31 -17.177   2.129   3.236
 1084    HA   VAL  31           HA       VAL  31 -19.460   0.925   1.852
 1085    HB   VAL  31           HB       VAL  31 -17.461  -0.877   3.027
 1086   HG11  VAL  31          HG11      VAL  31 -19.158  -0.663   0.642
 1087   HG12  VAL  31          HG12      VAL  31 -18.785  -2.057   1.658
 1088   HG13  VAL  31          HG13      VAL  31 -17.634  -1.521   0.437
 1089   HG21  VAL  31          HG21      VAL  31 -15.935   0.881   2.399
 1090   HG22  VAL  31          HG22      VAL  31 -16.664   0.983   0.799
 1091   HG23  VAL  31          HG23      VAL  31 -15.780  -0.466   1.273
 1092    HA   PRO  32           HA       PRO  32 -21.645   0.532   5.721
 1093    HB2  PRO  32           HB2      PRO  32 -22.456  -2.020   4.358
 1094    HB3  PRO  32           HB1      PRO  32 -23.453  -0.871   5.259
 1095    HG2  PRO  32           HG2      PRO  32 -23.414  -0.859   2.586
 1096    HG3  PRO  32           HG1      PRO  32 -23.523   0.647   3.515
 1097    HD2  PRO  32           HD2      PRO  32 -21.256  -0.444   1.960
 1098    HD3  PRO  32           HD1      PRO  32 -21.615   1.237   2.407
 1099    H    GLN  33           HN       GLN  33 -20.816  -0.208   7.584
 1100    HA   GLN  33           HA       GLN  33 -18.604  -1.834   7.807
 1101    HB2  GLN  33           HB2      GLN  33 -19.388  -0.321   9.578
 1102    HB3  GLN  33           HB1      GLN  33 -20.735  -1.400   9.903
 1103    HG2  GLN  33           HG2      GLN  33 -18.968  -1.701  11.531
 1104    HG3  GLN  33           HG1      GLN  33 -19.184  -3.158  10.562
 1105   HE21  GLN  33          HE21      GLN  33 -17.117  -3.897  10.999
 1106   HE22  GLN  33          HE22      GLN  33 -15.708  -3.175  10.306
 1107    HA   PRO  34           HA       PRO  34 -21.640  -5.541   8.967
 1108    HB2  PRO  34           HB2      PRO  34 -23.811  -4.869   7.052
 1109    HB3  PRO  34           HB1      PRO  34 -23.912  -5.582   8.665
 1110    HG2  PRO  34           HG2      PRO  34 -24.600  -3.044   8.258
 1111    HG3  PRO  34           HG1      PRO  34 -23.733  -3.528   9.728
 1112    HD2  PRO  34           HD2      PRO  34 -22.699  -2.155   7.280
 1113    HD3  PRO  34           HD1      PRO  34 -22.288  -1.884   8.985
 1114    H    LEU  35           HN       LEU  35 -21.419  -4.058   5.775
 1115    HA   LEU  35           HA       LEU  35 -21.418  -6.552   4.356
 1116    HB2  LEU  35           HB2      LEU  35 -22.318  -4.523   3.345
 1117    HB3  LEU  35           HB1      LEU  35 -20.775  -3.718   3.525
 1118    HG   LEU  35           HG       LEU  35 -19.786  -5.269   1.909
 1119   HD11  LEU  35          HD11      LEU  35 -22.586  -6.320   1.592
 1120   HD12  LEU  35          HD12      LEU  35 -21.216  -7.199   2.273
 1121   HD13  LEU  35          HD13      LEU  35 -21.205  -6.730   0.572
 1122   HD21  LEU  35          HD21      LEU  35 -20.682  -3.132   1.163
 1123   HD22  LEU  35          HD22      LEU  35 -22.261  -3.877   0.917
 1124   HD23  LEU  35          HD23      LEU  35 -20.888  -4.374  -0.072
 1125    H    VAL  36           HN       VAL  36 -19.070  -4.354   5.704
 1126    HA   VAL  36           HA       VAL  36 -16.786  -5.524   4.387
 1127    HB   VAL  36           HB       VAL  36 -16.990  -3.716   6.812
 1128   HG11  VAL  36          HG11      VAL  36 -14.535  -3.437   6.577
 1129   HG12  VAL  36          HG12      VAL  36 -14.533  -4.756   5.405
 1130   HG13  VAL  36          HG13      VAL  36 -15.010  -5.060   7.076
 1131   HG21  VAL  36          HG21      VAL  36 -16.083  -2.012   5.322
 1132   HG22  VAL  36          HG22      VAL  36 -17.581  -2.678   4.671
 1133   HG23  VAL  36          HG23      VAL  36 -16.028  -3.181   4.002
 1134    H    ASP  37           HN       ASP  37 -18.423  -5.969   7.487
 1135    HA   ASP  37           HA       ASP  37 -16.572  -7.726   8.643
 1136    HB2  ASP  37           HB2      ASP  37 -19.585  -7.598   8.939
 1137    HB3  ASP  37           HB1      ASP  37 -18.532  -8.577   9.956
 1138    H    SER  38           HN       SER  38 -19.360  -8.323   6.486
 1139    HA   SER  38           HA       SER  38 -19.202 -11.105   6.434
 1140    HB2  SER  38           HB2      SER  38 -21.081  -9.842   5.472
 1141    HB3  SER  38           HB1      SER  38 -20.025  -9.238   4.196
 1142    HG   SER  38           HG       SER  38 -21.380 -11.530   4.281
 1143    H    TYR  39           HN       TYR  39 -17.551  -8.714   4.386
 1144    HA   TYR  39           HA       TYR  39 -16.237 -10.535   2.708
 1145    HB2  TYR  39           HB2      TYR  39 -16.116  -8.363   1.923
 1146    HB3  TYR  39           HB1      TYR  39 -15.753  -7.697   3.513
 1147    HD1  TYR  39           HD1      TYR  39 -14.309  -9.602   0.684
 1148    HD2  TYR  39           HD2      TYR  39 -13.525  -7.353   4.207
 1149    HE1  TYR  39           HE1      TYR  39 -11.918  -9.568   0.125
 1150    HE2  TYR  39           HE2      TYR  39 -11.140  -7.312   3.664
 1151    HH   TYR  39           HH       TYR  39  -9.929  -8.366   0.602
 1152    H    ARG  40           HN       ARG  40 -15.228  -9.050   5.759
 1153    HA   ARG  40           HA       ARG  40 -12.643 -10.057   5.912
 1154    HB2  ARG  40           HB2      ARG  40 -14.647  -9.382   8.064
 1155    HB3  ARG  40           HB1      ARG  40 -12.992  -9.855   8.426
 1156    HG2  ARG  40           HG2      ARG  40 -12.190  -7.947   7.085
 1157    HG3  ARG  40           HG1      ARG  40 -13.866  -7.459   6.829
 1158    HD2  ARG  40           HD2      ARG  40 -14.143  -7.279   9.282
 1159    HD3  ARG  40           HD1      ARG  40 -12.433  -7.661   9.475
 1160    HE   ARG  40           HE       ARG  40 -12.615  -5.487   7.750
 1161   HH11  ARG  40          HH11      ARG  40 -13.337  -6.253  11.071
 1162   HH12  ARG  40          HH12      ARG  40 -13.089  -4.634  11.634
 1163   HH21  ARG  40          HH21      ARG  40 -12.288  -3.352   8.481
 1164   HH22  ARG  40          HH22      ARG  40 -12.493  -2.984  10.161
 1165    H    GLN  41           HN       GLN  41 -15.707 -11.576   6.667
 1166    HA   GLN  41           HA       GLN  41 -14.641 -13.901   7.928
 1167    HB2  GLN  41           HB2      GLN  41 -17.263 -13.495   6.474
 1168    HB3  GLN  41           HB1      GLN  41 -16.865 -14.891   7.466
 1169    HG2  GLN  41           HG2      GLN  41 -16.651 -13.436   9.420
 1170    HG3  GLN  41           HG1      GLN  41 -17.069 -12.045   8.422
 1171   HE21  GLN  41          HE21      GLN  41 -18.411 -13.134  10.772
 1172   HE22  GLN  41          HE22      GLN  41 -20.028 -13.491  10.279
 1173    H    GLN  42           HN       GLN  42 -15.688 -13.223   4.600
 1174    HA   GLN  42           HA       GLN  42 -15.133 -15.763   3.548
 1175    HB2  GLN  42           HB2      GLN  42 -16.472 -14.065   2.370
 1176    HB3  GLN  42           HB1      GLN  42 -15.029 -13.086   2.144
 1177    HG2  GLN  42           HG2      GLN  42 -14.039 -14.876   0.793
 1178    HG3  GLN  42           HG1      GLN  42 -15.509 -15.827   0.998
 1179   HE21  GLN  42          HE21      GLN  42 -14.069 -13.060  -0.528
 1180   HE22  GLN  42          HE22      GLN  42 -15.336 -12.772  -1.667
 1181    H    GLN  43           HN       GLN  43 -13.071 -13.030   4.227
 1182    HA   GLN  43           HA       GLN  43 -10.823 -14.089   2.760
 1183    HB2  GLN  43           HB2      GLN  43 -11.188 -11.648   3.030
 1184    HB3  GLN  43           HB1      GLN  43 -10.919 -11.822   4.758
 1185    HG2  GLN  43           HG2      GLN  43  -8.943 -10.980   3.602
 1186    HG3  GLN  43           HG1      GLN  43  -8.643 -12.540   4.365
 1187   HE21  GLN  43          HE21      GLN  43  -8.303 -14.345   3.090
 1188   HE22  GLN  43          HE22      GLN  43  -7.973 -14.237   1.398
 1189    H    GLN  44           HN       GLN  44 -11.947 -13.988   6.082
 1190    HA   GLN  44           HA       GLN  44  -9.587 -14.915   7.319
 1191    HB2  GLN  44           HB2      GLN  44 -11.639 -13.883   8.437
 1192    HB3  GLN  44           HB1      GLN  44 -12.387 -15.469   8.298
 1193    HG2  GLN  44           HG2      GLN  44 -11.476 -15.240  10.492
 1194    HG3  GLN  44           HG1      GLN  44 -10.510 -16.417   9.603
 1195   HE21  GLN  44          HE21      GLN  44  -8.423 -15.859   8.940
 1196   HE22  GLN  44          HE22      GLN  44  -7.566 -14.536   9.647
 1197    H    LEU  45           HN       LEU  45 -12.014 -16.445   5.451
 1198    HA   LEU  45           HA       LEU  45 -11.945 -19.077   6.324
 1199    HB2  LEU  45           HB2      LEU  45 -13.557 -18.514   4.716
 1200    HB3  LEU  45           HB1      LEU  45 -12.370 -17.803   3.642
 1201    HG   LEU  45           HG       LEU  45 -11.525 -20.374   3.643
 1202   HD11  LEU  45          HD11      LEU  45 -13.309 -21.179   5.051
 1203   HD12  LEU  45          HD12      LEU  45 -13.520 -21.802   3.414
 1204   HD13  LEU  45          HD13      LEU  45 -14.517 -20.463   3.984
 1205   HD21  LEU  45          HD21      LEU  45 -13.634 -19.117   1.894
 1206   HD22  LEU  45          HD22      LEU  45 -12.728 -20.576   1.493
 1207   HD23  LEU  45          HD23      LEU  45 -11.884 -19.036   1.671
 1208    H    LEU  46           HN       LEU  46  -9.825 -17.437   3.998
 1209    HA   LEU  46           HA       LEU  46  -8.029 -19.768   4.087
 1210    HB2  LEU  46           HB2      LEU  46  -8.397 -17.650   1.983
 1211    HB3  LEU  46           HB1      LEU  46  -7.110 -18.840   1.945
 1212    HG   LEU  46           HG       LEU  46 -10.039 -19.556   1.952
 1213   HD11  LEU  46          HD11      LEU  46  -9.706 -18.383  -0.073
 1214   HD12  LEU  46          HD12      LEU  46  -9.624 -20.098  -0.470
 1215   HD13  LEU  46          HD13      LEU  46  -8.142 -19.151  -0.343
 1216   HD21  LEU  46          HD21      LEU  46  -9.258 -21.737   1.256
 1217   HD22  LEU  46          HD22      LEU  46  -8.483 -21.276   2.773
 1218   HD23  LEU  46          HD23      LEU  46  -7.591 -21.163   1.256
 1219    H    GLN  47           HN       GLN  47  -7.613 -16.314   3.309
 1220    HA   GLN  47           HA       GLN  47  -6.025 -14.805   3.922
 1221    HB2  GLN  47           HB2      GLN  47  -7.173 -15.638   6.204
 1222    HB3  GLN  47           HB1      GLN  47  -5.524 -16.159   6.519
 1223    HG2  GLN  47           HG2      GLN  47  -6.289 -13.360   5.735
 1224    HG3  GLN  47           HG1      GLN  47  -6.085 -13.906   7.398
 1225   HE21  GLN  47          HE21      GLN  47  -4.488 -13.183   4.397
 1226   HE22  GLN  47          HE22      GLN  47  -2.881 -13.130   5.029
 1227    H    ARG  48           HN       ARG  48  -5.140 -16.993   2.420
 1228    HA   ARG  48           HA       ARG  48  -2.334 -17.055   3.224
 1229    HB2  ARG  48           HB2      ARG  48  -3.964 -19.510   2.557
 1230    HB3  ARG  48           HB1      ARG  48  -2.207 -19.487   2.631
 1231    HG2  ARG  48           HG2      ARG  48  -2.296 -18.881   4.977
 1232    HG3  ARG  48           HG1      ARG  48  -4.060 -18.853   4.912
 1233    HD2  ARG  48           HD2      ARG  48  -2.293 -21.250   4.433
 1234    HD3  ARG  48           HD1      ARG  48  -3.259 -20.942   5.875
 1235    HE   ARG  48           HE       ARG  48  -4.873 -20.939   3.538
 1236   HH11  ARG  48          HH11      ARG  48  -3.217 -23.050   5.761
 1237   HH12  ARG  48          HH12      ARG  48  -4.279 -24.390   5.481
 1238   HH21  ARG  48          HH21      ARG  48  -6.276 -22.699   3.163
 1239   HH22  ARG  48          HH22      ARG  48  -6.017 -24.191   4.004
 1240    H    ASP   1           HT1      ASP   1   5.142  14.415 -16.455
 1241    HA   ASP   1           HA       ASP   1   6.515  15.702 -14.168
 1242    HB2  ASP   1           HB2      ASP   1   3.569  15.193 -14.649
 1243    HB3  ASP   1           HB1      ASP   1   4.266  15.867 -13.180
 1244    H    GLU   2           HN       GLU   2   7.206  14.320 -12.685
 1245    HA   GLU   2           HA       GLU   2   5.777  11.971 -11.941
 1246    HB2  GLU   2           HB2      GLU   2   7.418  10.300 -12.614
 1247    HB3  GLU   2           HB1      GLU   2   6.791  11.141 -14.025
 1248    HG2  GLU   2           HG2      GLU   2   8.810  12.533 -14.075
 1249    HG3  GLU   2           HG1      GLU   2   9.440  11.645 -12.688
 1250    H    ASP   3           HN       ASP   3   7.344  14.452 -11.012
 1251    HA   ASP   3           HA       ASP   3   9.367  13.314  -9.296
 1252    HB2  ASP   3           HB2      ASP   3   9.596  15.636  -8.440
 1253    HB3  ASP   3           HB1      ASP   3   9.738  15.539 -10.192
 1254    H    THR   4           HN       THR   4   8.569  15.279  -7.090
 1255    HA   THR   4           HA       THR   4   7.079  13.389  -5.572
 1256    HB   THR   4           HB       THR   4   7.187  16.101  -4.492
 1257    HG1  THR   4           HG1      THR   4   9.661  15.053  -4.257
 1258   HG21  THR   4          HG21      THR   4   6.591  14.153  -3.135
 1259   HG22  THR   4          HG22      THR   4   8.063  14.917  -2.530
 1260   HG23  THR   4          HG23      THR   4   8.165  13.432  -3.480
 1261    H    TYR   5           HN       TYR   5   5.064  13.455  -4.842
 1262    HA   TYR   5           HA       TYR   5   3.197  15.301  -6.173
 1263    HB2  TYR   5           HB2      TYR   5   3.049  12.339  -5.781
 1264    HB3  TYR   5           HB1      TYR   5   1.627  13.319  -6.126
 1265    HD1  TYR   5           HD1      TYR   5   1.615  14.702  -8.253
 1266    HD2  TYR   5           HD2      TYR   5   4.473  11.642  -7.510
 1267    HE1  TYR   5           HE1      TYR   5   2.104  14.585 -10.657
 1268    HE2  TYR   5           HE2      TYR   5   4.968  11.512  -9.914
 1269    HH   TYR   5           HH       TYR   5   4.116  12.095 -12.008
 1270    H    TYR   6           HN       TYR   6   1.090  15.509  -4.886
 1271    HA   TYR   6           HA       TYR   6   1.538  14.826  -2.066
 1272    HB2  TYR   6           HB2      TYR   6  -0.416  16.928  -3.022
 1273    HB3  TYR   6           HB1      TYR   6   0.252  16.723  -1.409
 1274    HD1  TYR   6           HD2      TYR   6   3.138  16.395  -2.136
 1275    HD2  TYR   6           HD1      TYR   6   0.213  19.152  -3.513
 1276    HE1  TYR   6           HE2      TYR   6   4.918  18.006  -2.636
 1277    HE2  TYR   6           HE1      TYR   6   1.982  20.780  -4.028
 1278    HH   TYR   6           HH       TYR   6   5.277  19.957  -4.094
 1279    H    LEU   7           HN       LEU   7   0.274  13.481  -1.090
 1280    HA   LEU   7           HA       LEU   7  -2.136  12.497  -2.489
 1281    HB2  LEU   7           HB2      LEU   7   0.171  11.215  -1.708
 1282    HB3  LEU   7           HB1      LEU   7  -0.895  10.905  -0.367
 1283    HG   LEU   7           HG       LEU   7  -2.164   9.438  -1.538
 1284   HD11  LEU   7          HD11      LEU   7  -1.771   9.638  -4.252
 1285   HD12  LEU   7          HD12      LEU   7  -1.917  11.312  -3.712
 1286   HD13  LEU   7          HD13      LEU   7  -3.197  10.158  -3.354
 1287   HD21  LEU   7          HD21      LEU   7   0.311   9.297  -3.213
 1288   HD22  LEU   7          HD22      LEU   7  -0.736   7.973  -2.695
 1289   HD23  LEU   7          HD23      LEU   7   0.267   8.822  -1.514
 1290    H    GLN   8           HN       GLN   8  -3.878  13.551  -1.495
 1291    HA   GLN   8           HA       GLN   8  -3.771  14.017   1.304
 1292    HB2  GLN   8           HB2      GLN   8  -5.121  15.181  -0.739
 1293    HB3  GLN   8           HB1      GLN   8  -6.395  14.236   0.021
 1294    HG2  GLN   8           HG2      GLN   8  -5.528  15.287   2.213
 1295    HG3  GLN   8           HG1      GLN   8  -4.783  16.472   1.143
 1296   HE21  GLN   8          HE21      GLN   8  -7.104  16.105  -0.760
 1297   HE22  GLN   8          HE22      GLN   8  -8.374  17.042  -0.062
 1298    H    VAL   9           HN       VAL   9  -4.069  12.560   2.765
 1299    HA   VAL   9           HA       VAL   9  -5.917  10.387   2.151
 1300    HB   VAL   9           HB       VAL   9  -3.340  10.304   3.708
 1301   HG11  VAL   9          HG11      VAL   9  -3.866   7.935   4.213
 1302   HG12  VAL   9          HG12      VAL   9  -5.515   8.229   3.658
 1303   HG13  VAL   9          HG13      VAL   9  -4.886   9.097   5.059
 1304   HG21  VAL   9          HG21      VAL   9  -3.320  10.032   1.231
 1305   HG22  VAL   9          HG22      VAL   9  -4.290   8.574   1.441
 1306   HG23  VAL   9          HG23      VAL   9  -2.667   8.658   2.122
 1307    H    ARG  10           HN       ARG  10  -7.602  10.088   3.488
 1308    HA   ARG  10           HA       ARG  10  -7.719  11.853   5.832
 1309    HB2  ARG  10           HB2      ARG  10  -9.508  11.906   3.969
 1310    HB3  ARG  10           HB1      ARG  10 -10.062  10.376   4.633
 1311    HG2  ARG  10           HG2      ARG  10  -9.745  12.733   6.432
 1312    HG3  ARG  10           HG1      ARG  10 -11.159  12.610   5.384
 1313    HD2  ARG  10           HD2      ARG  10 -11.665  10.411   6.353
 1314    HD3  ARG  10           HD1      ARG  10 -10.267  10.564   7.415
 1315    HE   ARG  10           HE       ARG  10 -11.938  12.794   7.766
 1316   HH11  ARG  10          HH11      ARG  10 -11.866   9.368   8.402
 1317   HH12  ARG  10          HH12      ARG  10 -12.889   9.476   9.795
 1318   HH21  ARG  10          HH21      ARG  10 -13.283  12.944   9.600
 1319   HH22  ARG  10          HH22      ARG  10 -13.693  11.508  10.477
 1320    H    GLY  11           HN       GLY  11  -8.075  11.110   7.840
 1321    HA2  GLY  11           HA2      GLY  11  -8.549   9.498   9.498
 1322    HA3  GLY  11           HA1      GLY  11  -8.587   8.260   8.249
 1323    H    ARG  12           HN       ARG  12  -6.959   9.165  10.878
 1324    HA   ARG  12           HA       ARG  12  -4.265   9.181  10.260
 1325    HB2  ARG  12           HB2      ARG  12  -5.456   9.492  12.532
 1326    HB3  ARG  12           HB1      ARG  12  -5.310   7.746  12.684
 1327    HG2  ARG  12           HG2      ARG  12  -3.468   8.670  13.820
 1328    HG3  ARG  12           HG1      ARG  12  -2.841   8.035  12.298
 1329    HD2  ARG  12           HD2      ARG  12  -2.972  10.308  11.339
 1330    HD3  ARG  12           HD1      ARG  12  -3.494  10.912  12.912
 1331    HE   ARG  12           HE       ARG  12  -0.911   9.537  12.647
 1332   HH11  ARG  12          HH11      ARG  12  -2.761  12.393  13.402
 1333   HH12  ARG  12          HH12      ARG  12  -1.417  13.235  14.098
 1334   HH21  ARG  12          HH21      ARG  12   0.861  10.638  13.563
 1335   HH22  ARG  12          HH22      ARG  12   0.642  12.238  14.189
 1336    H    GLU  13           HN       GLU  13  -6.238   6.250  10.897
 1337    HA   GLU  13           HA       GLU  13  -4.196   4.417  10.777
 1338    HB2  GLU  13           HB2      GLU  13  -6.606   3.987  11.355
 1339    HB3  GLU  13           HB1      GLU  13  -6.945   3.954   9.629
 1340    HG2  GLU  13           HG2      GLU  13  -6.714   1.715  10.316
 1341    HG3  GLU  13           HG1      GLU  13  -5.246   2.130   9.434
 1342    H    ASN  14           HN       ASN  14  -6.083   5.697   8.050
 1343    HA   ASN  14           HA       ASN  14  -4.832   4.125   6.039
 1344    HB2  ASN  14           HB2      ASN  14  -6.181   6.816   5.745
 1345    HB3  ASN  14           HB1      ASN  14  -5.893   5.636   4.470
 1346   HD21  ASN  14          HD21      ASN  14  -8.398   6.767   5.268
 1347   HD22  ASN  14          HD22      ASN  14  -9.401   5.462   5.791
 1348    H    PHE  15           HN       PHE  15  -4.276   7.417   7.232
 1349    HA   PHE  15           HA       PHE  15  -2.280   8.178   5.449
 1350    HB2  PHE  15           HB2      PHE  15  -3.438   9.698   7.017
 1351    HB3  PHE  15           HB1      PHE  15  -2.549   8.972   8.353
 1352    HD1  PHE  15           HD2      PHE  15  -1.389  10.002   4.953
 1353    HD2  PHE  15           HD1      PHE  15  -1.159  10.616   9.168
 1354    HE1  PHE  15           HE2      PHE  15   0.415  11.613   4.614
 1355    HE2  PHE  15           HE1      PHE  15   0.676  12.229   8.820
 1356    HZ   PHE  15           HZ       PHE  15   1.460  12.723   6.533
 1357    H    GLU  16           HN       GLU  16  -1.985   6.533   8.590
 1358    HA   GLU  16           HA       GLU  16   0.849   6.392   8.660
 1359    HB2  GLU  16           HB2      GLU  16  -1.244   4.624   9.934
 1360    HB3  GLU  16           HB1      GLU  16   0.473   4.576  10.310
 1361    HG2  GLU  16           HG2      GLU  16   0.366   6.891  11.086
 1362    HG3  GLU  16           HG1      GLU  16  -1.357   6.930  10.718
 1363    H    ILE  17           HN       ILE  17  -1.538   4.014   7.447
 1364    HA   ILE  17           HA       ILE  17   0.411   2.069   6.810
 1365    HB   ILE  17           HB       ILE  17  -2.431   2.476   6.179
 1366   HG12  ILE  17          HG12      ILE  17  -0.979  -0.116   6.585
 1367   HG13  ILE  17          HG11      ILE  17  -1.256   0.967   7.942
 1368   HG21  ILE  17          HG21      ILE  17  -2.482   0.806   4.395
 1369   HG22  ILE  17          HG22      ILE  17  -0.718   0.749   4.395
 1370   HG23  ILE  17          HG23      ILE  17  -1.554   2.226   3.906
 1371   HD11  ILE  17          HD11      ILE  17  -3.411  -0.152   6.168
 1372   HD12  ILE  17          HD12      ILE  17  -3.632   0.795   7.641
 1373   HD13  ILE  17          HD13      ILE  17  -2.932  -0.826   7.728
 1374    H    LEU  18           HN       LEU  18  -0.940   4.786   4.939
 1375    HA   LEU  18           HA       LEU  18   0.437   4.063   2.525
 1376    HB2  LEU  18           HB2      LEU  18  -1.166   6.426   3.446
 1377    HB3  LEU  18           HB1      LEU  18  -0.286   6.457   1.930
 1378    HG   LEU  18           HG       LEU  18  -2.082   4.140   2.341
 1379   HD11  LEU  18          HD11      LEU  18  -4.088   5.286   1.945
 1380   HD12  LEU  18          HD12      LEU  18  -3.252   6.790   1.568
 1381   HD13  LEU  18          HD13      LEU  18  -3.294   6.199   3.228
 1382   HD21  LEU  18          HD21      LEU  18  -0.840   4.378   0.286
 1383   HD22  LEU  18          HD22      LEU  18  -1.481   6.004   0.048
 1384   HD23  LEU  18          HD23      LEU  18  -2.557   4.609  -0.039
 1385    H    MET  19           HN       MET  19   0.986   6.235   5.251
 1386    HA   MET  19           HA       MET  19   3.148   7.652   4.102
 1387    HB2  MET  19           HB2      MET  19   1.725   8.075   6.329
 1388    HB3  MET  19           HB1      MET  19   3.072   7.224   7.063
 1389    HG2  MET  19           HG2      MET  19   3.147   9.804   5.528
 1390    HG3  MET  19           HG1      MET  19   3.465   9.551   7.240
 1391    HE1  MET  19           HE1      MET  19   6.798  10.641   5.228
 1392    HE2  MET  19           HE2      MET  19   5.766  11.139   6.570
 1393    HE3  MET  19           HE3      MET  19   5.111  11.073   4.931
 1394    H    LYS  20           HN       LYS  20   3.085   4.894   6.335
 1395    HA   LYS  20           HA       LYS  20   5.832   4.401   6.487
 1396    HB2  LYS  20           HB2      LYS  20   3.785   3.299   7.687
 1397    HB3  LYS  20           HB1      LYS  20   3.842   2.175   6.337
 1398    HG2  LYS  20           HG2      LYS  20   6.256   2.756   8.021
 1399    HG3  LYS  20           HG1      LYS  20   5.076   1.522   8.462
 1400    HD2  LYS  20           HD2      LYS  20   5.440   0.514   6.184
 1401    HD3  LYS  20           HD1      LYS  20   6.788   1.636   5.986
 1402    HE2  LYS  20           HE2      LYS  20   6.517  -0.379   8.211
 1403    HE3  LYS  20           HE1      LYS  20   7.501  -0.593   6.765
 1404    HZ1  LYS  20           HZ1      LYS  20   8.793   1.357   7.418
 1405    HZ2  LYS  20           HZ2      LYS  20   8.844   0.160   8.612
 1406    HZ3  LYS  20           HZ3      LYS  20   7.861   1.520   8.821
 1407    H    LEU  21           HN       LEU  21   3.389   3.492   4.161
 1408    HA   LEU  21           HA       LEU  21   5.048   1.846   2.563
 1409    HB2  LEU  21           HB2      LEU  21   2.451   2.032   2.697
 1410    HB3  LEU  21           HB1      LEU  21   2.631   3.369   1.589
 1411    HG   LEU  21           HG       LEU  21   3.093   0.455   1.102
 1412   HD11  LEU  21          HD11      LEU  21   1.500   2.593  -0.290
 1413   HD12  LEU  21          HD12      LEU  21   0.868   1.318   0.747
 1414   HD13  LEU  21          HD13      LEU  21   1.611   0.911  -0.800
 1415   HD21  LEU  21          HD21      LEU  21   5.065   1.528   0.189
 1416   HD22  LEU  21          HD22      LEU  21   4.063   2.722  -0.634
 1417   HD23  LEU  21          HD23      LEU  21   3.990   1.026  -1.114
 1418    H    LYS  22           HN       LYS  22   4.143   5.244   2.389
 1419    HA   LYS  22           HA       LYS  22   5.218   5.967  -0.024
 1420    HB2  LYS  22           HB2      LYS  22   3.925   7.486   1.342
 1421    HB3  LYS  22           HB1      LYS  22   5.139   7.447   2.610
 1422    HG2  LYS  22           HG2      LYS  22   6.683   8.665   1.267
 1423    HG3  LYS  22           HG1      LYS  22   5.631   8.542  -0.145
 1424    HD2  LYS  22           HD2      LYS  22   4.653  10.445   0.466
 1425    HD3  LYS  22           HD1      LYS  22   4.071   9.638   1.920
 1426    HE2  LYS  22           HE2      LYS  22   6.286  10.188   2.980
 1427    HE3  LYS  22           HE1      LYS  22   6.622  11.193   1.572
 1428    HZ1  LYS  22           HZ1      LYS  22   5.728  12.502   3.385
 1429    HZ2  LYS  22           HZ2      LYS  22   4.340  11.538   3.439
 1430    HZ3  LYS  22           HZ3      LYS  22   4.650  12.496   2.081
 1431    H    GLU  23           HN       GLU  23   6.800   5.541   3.095
 1432    HA   GLU  23           HA       GLU  23   9.386   6.371   2.242
 1433    HB2  GLU  23           HB2      GLU  23   8.514   4.604   4.539
 1434    HB3  GLU  23           HB1      GLU  23  10.166   5.137   4.286
 1435    HG2  GLU  23           HG2      GLU  23   8.099   6.425   5.697
 1436    HG3  GLU  23           HG1      GLU  23   9.755   6.959   5.449
 1437    H    SER  24           HN       SER  24   7.876   3.146   2.532
 1438    HA   SER  24           HA       SER  24  10.132   1.733   1.742
 1439    HB2  SER  24           HB2      SER  24   8.655  -0.141   1.257
 1440    HB3  SER  24           HB1      SER  24   8.100   0.682   2.710
 1441    HG   SER  24           HG       SER  24   6.381   0.216   1.279
 1442    H    LEU  25           HN       LEU  25   7.504   3.016  -0.302
 1443    HA   LEU  25           HA       LEU  25   8.488   2.012  -2.769
 1444    HB2  LEU  25           HB2      LEU  25   6.528   4.096  -1.942
 1445    HB3  LEU  25           HB1      LEU  25   7.109   4.111  -3.596
 1446    HG   LEU  25           HG       LEU  25   5.821   1.710  -2.297
 1447   HD11  LEU  25          HD11      LEU  25   4.627   3.825  -4.080
 1448   HD12  LEU  25          HD12      LEU  25   4.194   3.481  -2.405
 1449   HD13  LEU  25          HD13      LEU  25   3.851   2.297  -3.665
 1450   HD21  LEU  25          HD21      LEU  25   5.650   0.856  -4.544
 1451   HD22  LEU  25          HD22      LEU  25   7.334   1.256  -4.202
 1452   HD23  LEU  25          HD23      LEU  25   6.354   2.334  -5.198
 1453    H    GLU  26           HN       GLU  26   8.908   5.146  -1.165
 1454    HA   GLU  26           HA       GLU  26  10.467   6.282  -3.247
 1455    HB2  GLU  26           HB2      GLU  26  10.125   6.995  -0.343
 1456    HB3  GLU  26           HB1      GLU  26  11.155   7.917  -1.431
 1457    HG2  GLU  26           HG2      GLU  26   9.141   8.210  -2.909
 1458    HG3  GLU  26           HG1      GLU  26   8.182   7.528  -1.597
 1459    H    LEU  27           HN       LEU  27  11.295   4.618  -0.239
 1460    HA   LEU  27           HA       LEU  27  14.112   4.931  -0.427
 1461    HB2  LEU  27           HB2      LEU  27  12.311   3.075   1.090
 1462    HB3  LEU  27           HB1      LEU  27  14.053   2.884   1.124
 1463    HG   LEU  27           HG       LEU  27  12.701   5.467   1.894
 1464   HD11  LEU  27          HD11      LEU  27  11.899   3.625   3.327
 1465   HD12  LEU  27          HD12      LEU  27  12.876   4.805   4.199
 1466   HD13  LEU  27          HD13      LEU  27  13.573   3.252   3.738
 1467   HD21  LEU  27          HD21      LEU  27  15.049   5.665   1.341
 1468   HD22  LEU  27          HD22      LEU  27  15.443   4.328   2.421
 1469   HD23  LEU  27          HD23      LEU  27  14.828   5.843   3.082
 1470    H    MET  28           HN       MET  28  11.914   2.464  -1.763
 1471    HA   MET  28           HA       MET  28  13.859   0.625  -2.320
 1472    HB2  MET  28           HB2      MET  28  11.399   0.285  -2.713
 1473    HB3  MET  28           HB1      MET  28  11.545   1.243  -4.181
 1474    HG2  MET  28           HG2      MET  28  13.382  -0.493  -4.794
 1475    HG3  MET  28           HG1      MET  28  12.574  -1.485  -3.590
 1476    HE1  MET  28           HE1      MET  28   9.308  -1.404  -4.128
 1477    HE2  MET  28           HE2      MET  28  10.592  -2.521  -3.669
 1478    HE3  MET  28           HE3      MET  28   9.602  -2.849  -5.093
 1479    H    GLU  29           HN       GLU  29  13.692   3.770  -3.594
 1480    HA   GLU  29           HA       GLU  29  15.136   3.130  -6.036
 1481    HB2  GLU  29           HB2      GLU  29  14.683   5.267  -6.721
 1482    HB3  GLU  29           HB1      GLU  29  13.320   4.984  -5.649
 1483    HG2  GLU  29           HG2      GLU  29  14.582   6.144  -3.845
 1484    HG3  GLU  29           HG1      GLU  29  15.824   6.534  -5.033
 1485    H    LEU  30           HN       LEU  30  15.801   4.077  -2.781
 1486    HA   LEU  30           HA       LEU  30  18.430   5.104  -3.470
 1487    HB2  LEU  30           HB2      LEU  30  18.329   6.272  -1.581
 1488    HB3  LEU  30           HB1      LEU  30  16.639   5.827  -1.552
 1489    HG   LEU  30           HG       LEU  30  18.803   4.310  -0.114
 1490   HD11  LEU  30          HD11      LEU  30  18.017   5.400   1.908
 1491   HD12  LEU  30          HD12      LEU  30  16.836   6.320   0.972
 1492   HD13  LEU  30          HD13      LEU  30  18.561   6.607   0.741
 1493   HD21  LEU  30          HD21      LEU  30  15.805   4.184   0.004
 1494   HD22  LEU  30          HD22      LEU  30  16.882   3.387   1.150
 1495   HD23  LEU  30          HD23      LEU  30  16.903   2.922  -0.551
 1496    H    VAL  31           HN       VAL  31  17.173   2.172  -3.230
 1497    HA   VAL  31           HA       VAL  31  19.460   0.975  -1.845
 1498    HB   VAL  31           HB       VAL  31  17.465  -0.832  -3.023
 1499   HG11  VAL  31          HG11      VAL  31  19.161  -0.616  -0.637
 1500   HG12  VAL  31          HG12      VAL  31  18.793  -2.009  -1.655
 1501   HG13  VAL  31          HG13      VAL  31  17.639  -1.479  -0.434
 1502   HG21  VAL  31          HG21      VAL  31  15.935   0.923  -2.393
 1503   HG22  VAL  31          HG22      VAL  31  16.664   1.025  -0.793
 1504   HG23  VAL  31          HG23      VAL  31  15.783  -0.425  -1.267
 1505    HA   PRO  32           HA       PRO  32  21.648   0.590  -5.714
 1506    HB2  PRO  32           HB2      PRO  32  22.465  -1.959  -4.350
 1507    HB3  PRO  32           HB1      PRO  32  23.459  -0.808  -5.251
 1508    HG2  PRO  32           HG2      PRO  32  23.419  -0.798  -2.579
 1509    HG3  PRO  32           HG1      PRO  32  23.526   0.709  -3.506
 1510    HD2  PRO  32           HD2      PRO  32  21.261  -0.386  -1.952
 1511    HD3  PRO  32           HD1      PRO  32  21.615   1.295  -2.400
 1512    H    GLN  33           HN       GLN  33  20.822  -0.152  -7.577
 1513    HA   GLN  33           HA       GLN  33  18.615  -1.785  -7.801
 1514    HB2  GLN  33           HB2      GLN  33  19.395  -0.268  -9.571
 1515    HB3  GLN  33           HB1      GLN  33  20.746  -1.343  -9.896
 1516    HG2  GLN  33           HG2      GLN  33  18.981  -1.649 -11.525
 1517    HG3  GLN  33           HG1      GLN  33  19.200  -3.106 -10.557
 1518   HE21  GLN  33          HE21      GLN  33  17.136  -3.851 -10.994
 1519   HE22  GLN  33          HE22      GLN  33  15.724  -3.133 -10.303
 1520    HA   PRO  34           HA       PRO  34  21.661  -5.484  -8.959
 1521    HB2  PRO  34           HB2      PRO  34  23.829  -4.807  -7.043
 1522    HB3  PRO  34           HB1      PRO  34  23.933  -5.519  -8.657
 1523    HG2  PRO  34           HG2      PRO  34  24.614  -2.979  -8.248
 1524    HG3  PRO  34           HG1      PRO  34  23.750  -3.465  -9.719
 1525    HD2  PRO  34           HD2      PRO  34  22.711  -2.095  -7.272
 1526    HD3  PRO  34           HD1      PRO  34  22.301  -1.825  -8.977
 1527    H    LEU  35           HN       LEU  35  21.434  -4.001  -5.767
 1528    HA   LEU  35           HA       LEU  35  21.439  -6.495  -4.348
 1529    HB2  LEU  35           HB2      LEU  35  22.333  -4.464  -3.336
 1530    HB3  LEU  35           HB1      LEU  35  20.787  -3.663  -3.517
 1531    HG   LEU  35           HG       LEU  35  19.802  -5.218  -1.901
 1532   HD11  LEU  35          HD11      LEU  35  22.605  -6.260  -1.585
 1533   HD12  LEU  35          HD12      LEU  35  21.239  -7.144  -2.266
 1534   HD13  LEU  35          HD13      LEU  35  21.226  -6.675  -0.565
 1535   HD21  LEU  35          HD21      LEU  35  20.693  -3.079  -1.155
 1536   HD22  LEU  35          HD22      LEU  35  22.274  -3.819  -0.908
 1537   HD23  LEU  35          HD23      LEU  35  20.901  -4.320   0.080
 1538    H    VAL  36           HN       VAL  36  19.086  -4.304  -5.698
 1539    HA   VAL  36           HA       VAL  36  16.804  -5.480  -4.382
 1540    HB   VAL  36           HB       VAL  36  17.005  -3.671  -6.806
 1541   HG11  VAL  36          HG11      VAL  36  14.549  -3.399  -6.573
 1542   HG12  VAL  36          HG12      VAL  36  14.549  -4.718  -5.403
 1543   HG13  VAL  36          HG13      VAL  36  15.028  -5.021  -7.072
 1544   HG21  VAL  36          HG21      VAL  36  16.093  -1.971  -5.317
 1545   HG22  VAL  36          HG22      VAL  36  17.592  -2.633  -4.665
 1546   HG23  VAL  36          HG23      VAL  36  16.039  -3.139  -3.997
 1547    H    ASP  37           HN       ASP  37  18.445  -5.920  -7.481
 1548    HA   ASP  37           HA       ASP  37  16.600  -7.682  -8.638
 1549    HB2  ASP  37           HB2      ASP  37  19.611  -7.545  -8.934
 1550    HB3  ASP  37           HB1      ASP  37  18.562  -8.527  -9.951
 1551    H    SER  38           HN       SER  38  19.388  -8.272  -6.479
 1552    HA   SER  38           HA       SER  38  19.237 -11.054  -6.429
 1553    HB2  SER  38           HB2      SER  38  21.112  -9.786  -5.465
 1554    HB3  SER  38           HB1      SER  38  20.053  -9.186  -4.189
 1555    HG   SER  38           HG       SER  38  21.416 -11.474  -4.274
 1556    H    TYR  39           HN       TYR  39  17.579  -8.667  -4.381
 1557    HA   TYR  39           HA       TYR  39  16.269 -10.492  -2.705
 1558    HB2  TYR  39           HB2      TYR  39  16.142  -8.321  -1.919
 1559    HB3  TYR  39           HB1      TYR  39  15.779  -7.655  -3.509
 1560    HD1  TYR  39           HD1      TYR  39  14.336  -9.564  -0.681
 1561    HD2  TYR  39           HD2      TYR  39  13.549  -7.316  -4.205
 1562    HE1  TYR  39           HE1      TYR  39  11.945  -9.537  -0.124
 1563    HE2  TYR  39           HE2      TYR  39  11.163  -7.283  -3.663
 1564    HH   TYR  39           HH       TYR  39   9.954  -8.344  -0.603
 1565    H    ARG  40           HN       ARG  40  15.257  -9.011  -5.755
 1566    HA   ARG  40           HA       ARG  40  12.675 -10.025  -5.910
 1567    HB2  ARG  40           HB2      ARG  40  14.679  -9.344  -8.060
 1568    HB3  ARG  40           HB1      ARG  40  13.025  -9.820  -8.424
 1569    HG2  ARG  40           HG2      ARG  40  12.217  -7.916  -7.083
 1570    HG3  ARG  40           HG1      ARG  40  13.892  -7.423  -6.825
 1571    HD2  ARG  40           HD2      ARG  40  14.170  -7.242  -9.278
 1572    HD3  ARG  40           HD1      ARG  40  12.461  -7.629  -9.472
 1573    HE   ARG  40           HE       ARG  40  12.635  -5.453  -7.747
 1574   HH11  ARG  40          HH11      ARG  40  13.362  -6.218 -11.068
 1575   HH12  ARG  40          HH12      ARG  40  13.111  -4.600 -11.631
 1576   HH21  ARG  40          HH21      ARG  40  12.302  -3.318  -8.479
 1577   HH22  ARG  40          HH22      ARG  40  12.508  -2.951 -10.159
 1578    H    GLN  41           HN       GLN  41  15.743 -11.535  -6.664
 1579    HA   GLN  41           HA       GLN  41  14.685 -13.863  -7.926
 1580    HB2  GLN  41           HB2      GLN  41  17.304 -13.448  -6.469
 1581    HB3  GLN  41           HB1      GLN  41  16.913 -14.845  -7.462
 1582    HG2  GLN  41           HG2      GLN  41  16.694 -13.389  -9.416
 1583    HG3  GLN  41           HG1      GLN  41  17.109 -11.999  -8.416
 1584   HE21  GLN  41          HE21      GLN  41  18.453 -13.087 -10.768
 1585   HE22  GLN  41          HE22      GLN  41  20.071 -13.438 -10.274
 1586    H    GLN  42           HN       GLN  42  15.728 -13.184  -4.597
 1587    HA   GLN  42           HA       GLN  42  15.179 -15.724  -3.546
 1588    HB2  GLN  42           HB2      GLN  42  16.513 -14.022  -2.366
 1589    HB3  GLN  42           HB1      GLN  42  15.067 -13.047  -2.142
 1590    HG2  GLN  42           HG2      GLN  42  14.082 -14.839  -0.791
 1591    HG3  GLN  42           HG1      GLN  42  15.554 -15.787  -0.994
 1592   HE21  GLN  42          HE21      GLN  42  14.105 -13.024   0.530
 1593   HE22  GLN  42          HE22      GLN  42  15.370 -12.732   1.670
 1594    H    GLN  43           HN       GLN  43  13.110 -12.996  -4.227
 1595    HA   GLN  43           HA       GLN  43  10.864 -14.061  -2.759
 1596    HB2  GLN  43           HB2      GLN  43  11.223 -11.619  -3.029
 1597    HB3  GLN  43           HB1      GLN  43  10.955 -11.794  -4.758
 1598    HG2  GLN  43           HG2      GLN  43   8.977 -10.956  -3.602
 1599    HG3  GLN  43           HG1      GLN  43   8.681 -12.517  -4.366
 1600   HE21  GLN  43          HE21      GLN  43   8.345 -14.324  -3.090
 1601   HE22  GLN  43          HE22      GLN  43   8.013 -14.217  -1.399
 1602    H    GLN  44           HN       GLN  44  11.990 -13.956  -6.081
 1603    HA   GLN  44           HA       GLN  44   9.634 -14.890  -7.320
 1604    HB2  GLN  44           HB2      GLN  44  11.682 -13.851  -8.435
 1605    HB3  GLN  44           HB1      GLN  44  12.435 -15.434  -8.297
 1606    HG2  GLN  44           HG2      GLN  44  11.525 -15.209 -10.491
 1607    HG3  GLN  44           HG1      GLN  44  10.563 -16.389  -9.603
 1608   HE21  GLN  44          HE21      GLN  44   8.472 -15.837  -8.941
 1609   HE22  GLN  44          HE22      GLN  44   7.612 -14.514  -9.647
 1610    H    LEU  45           HN       LEU  45  12.065 -16.415  -5.451
 1611    HA   LEU  45           HA       LEU  45  12.002 -19.046  -6.322
 1612    HB2  LEU  45           HB2      LEU  45  13.611 -18.478  -4.713
 1613    HB3  LEU  45           HB1      LEU  45  12.421 -17.771  -3.640
 1614    HG   LEU  45           HG       LEU  45  11.584 -20.344  -3.642
 1615   HD11  LEU  45          HD11      LEU  45  13.371 -21.144  -5.049
 1616   HD12  LEU  45          HD12      LEU  45  13.582 -21.767  -3.412
 1617   HD13  LEU  45          HD13      LEU  45  14.576 -20.425  -3.981
 1618   HD21  LEU  45          HD21      LEU  45  13.688 -19.083  -1.891
 1619   HD22  LEU  45          HD22      LEU  45  12.786 -20.544  -1.492
 1620   HD23  LEU  45          HD23      LEU  45  11.939 -19.006  -1.669
 1621    H    LEU  46           HN       LEU  46   9.875 -17.411  -4.000
 1622    HA   LEU  46           HA       LEU  46   8.086 -19.748  -4.089
 1623    HB2  LEU  46           HB2      LEU  46   8.449 -17.629  -1.985
 1624    HB3  LEU  46           HB1      LEU  46   7.165 -18.822  -1.947
 1625    HG   LEU  46           HG       LEU  46  10.094 -19.531  -1.953
 1626   HD11  LEU  46          HD11      LEU  46   9.756 -18.357   0.072
 1627   HD12  LEU  46          HD12      LEU  46   9.679 -20.073   0.470
 1628   HD13  LEU  46          HD13      LEU  46   8.194 -19.131   0.341
 1629   HD21  LEU  46          HD21      LEU  46   9.318 -21.713  -1.256
 1630   HD22  LEU  46          HD22      LEU  46   8.544 -21.255  -2.774
 1631   HD23  LEU  46          HD23      LEU  46   7.649 -21.143  -1.257
 1632    H    GLN  47           HN       GLN  47   7.661 -16.295  -3.309
 1633    HA   GLN  47           HA       GLN  47   6.070 -14.790  -3.923
 1634    HB2  GLN  47           HB2      GLN  47   7.220 -15.620  -6.205
 1635    HB3  GLN  47           HB1      GLN  47   5.572 -16.146  -6.519
 1636    HG2  GLN  47           HG2      GLN  47   6.330 -13.345  -5.736
 1637    HG3  GLN  47           HG1      GLN  47   6.128 -13.891  -7.400
 1638   HE21  GLN  47          HE21      GLN  47   4.528 -13.172  -4.399
 1639   HE22  GLN  47          HE22      GLN  47   2.921 -13.124  -5.031
 1640    H    ARG  48           HN       ARG  48   5.191 -16.982  -2.423
 1641    HA   ARG  48           HA       ARG  48   2.385 -17.050  -3.228
 1642    HB2  ARG  48           HB2      ARG  48   4.020 -19.501  -2.561
 1643    HB3  ARG  48           HB1      ARG  48   2.263 -19.482  -2.635
 1644    HG2  ARG  48           HG2      ARG  48   2.349 -18.878  -4.981
 1645    HG3  ARG  48           HG1      ARG  48   4.112 -18.841  -4.918
 1646    HD2  ARG  48           HD2      ARG  48   2.355 -21.245  -4.437
 1647    HD3  ARG  48           HD1      ARG  48   3.321 -20.935  -5.879
 1648    HE   ARG  48           HE       ARG  48   4.934 -20.927  -3.541
 1649   HH11  ARG  48          HH11      ARG  48   3.286 -23.043  -5.765
 1650   HH12  ARG  48          HH12      ARG  48   4.351 -24.379  -5.485
 1651   HH21  ARG  48          HH21      ARG  48   6.341 -22.683  -3.164
 1652   HH22  ARG  48          HH22      ARG  48   6.087 -24.175  -4.006
  Start of MODEL   20
    1    H    ASP   1           HT1      ASP   1  -5.672 -14.235 -16.696
    2    HA   ASP   1           HA       ASP   1  -6.713 -15.365 -14.858
    3    HB2  ASP   1           HB2      ASP   1  -4.895 -17.013 -14.502
    4    HB3  ASP   1           HB1      ASP   1  -3.884 -15.731 -13.840
    5    H    GLU   2           HN       GLU   2  -7.181 -14.256 -12.883
    6    HA   GLU   2           HA       GLU   2  -5.634 -12.021 -12.015
    7    HB2  GLU   2           HB2      GLU   2  -7.243 -10.258 -12.609
    8    HB3  GLU   2           HB1      GLU   2  -6.548 -11.012 -14.036
    9    HG2  GLU   2           HG2      GLU   2  -8.576 -12.365 -14.295
   10    HG3  GLU   2           HG1      GLU   2  -9.273 -11.569 -12.884
   11    H    ASP   3           HN       ASP   3  -7.216 -14.448 -11.116
   12    HA   ASP   3           HA       ASP   3  -9.290 -13.344  -9.441
   13    HB2  ASP   3           HB2      ASP   3  -8.066 -16.111  -9.413
   14    HB3  ASP   3           HB1      ASP   3  -9.552 -15.625  -8.605
   15    H    THR   4           HN       THR   4  -8.491 -15.245  -7.188
   16    HA   THR   4           HA       THR   4  -7.024 -13.297  -5.708
   17    HB   THR   4           HB       THR   4  -7.167 -15.977  -4.535
   18    HG1  THR   4           HG1      THR   4  -9.563 -15.298  -4.139
   19   HG21  THR   4          HG21      THR   4  -8.045 -13.234  -3.624
   20   HG22  THR   4          HG22      THR   4  -6.521 -14.030  -3.222
   21   HG23  THR   4          HG23      THR   4  -8.044 -14.686  -2.617
   22    H    TYR   5           HN       TYR   5  -5.026 -13.376  -4.898
   23    HA   TYR   5           HA       TYR   5  -3.141 -15.228  -6.197
   24    HB2  TYR   5           HB2      TYR   5  -3.004 -12.266  -5.830
   25    HB3  TYR   5           HB1      TYR   5  -1.574 -13.248  -6.140
   26    HD1  TYR   5           HD2      TYR   5  -1.521 -14.657  -8.247
   27    HD2  TYR   5           HD1      TYR   5  -4.406 -11.602  -7.593
   28    HE1  TYR   5           HE2      TYR   5  -1.974 -14.578 -10.661
   29    HE2  TYR   5           HE1      TYR   5  -4.867 -11.511 -10.007
   30    HH   TYR   5           HH       TYR   5  -3.789 -13.897 -12.169
   31    H    TYR   6           HN       TYR   6  -1.050 -15.414  -4.879
   32    HA   TYR   6           HA       TYR   6  -1.542 -14.724  -2.066
   33    HB2  TYR   6           HB2      TYR   6   0.411 -16.839  -3.007
   34    HB3  TYR   6           HB1      TYR   6  -0.246 -16.617  -1.391
   35    HD1  TYR   6           HD2      TYR   6  -3.147 -16.261  -2.178
   36    HD2  TYR   6           HD1      TYR   6  -0.219 -19.090  -3.402
   37    HE1  TYR   6           HE2      TYR   6  -4.930 -17.875  -2.658
   38    HE2  TYR   6           HE1      TYR   6  -1.994 -20.720  -3.894
   39    HH   TYR   6           HH       TYR   6  -5.276 -19.873  -4.058
   40    H    LEU   7           HN       LEU   7  -0.271 -13.379  -1.075
   41    HA   LEU   7           HA       LEU   7   2.149 -12.399  -2.460
   42    HB2  LEU   7           HB2      LEU   7  -0.158 -11.121  -1.634
   43    HB3  LEU   7           HB1      LEU   7   0.957 -10.795  -0.337
   44    HG   LEU   7           HG       LEU   7   2.110  -9.285  -1.534
   45   HD11  LEU   7          HD11      LEU   7   1.959 -11.231  -3.690
   46   HD12  LEU   7          HD12      LEU   7   3.252 -10.119  -3.249
   47   HD13  LEU   7          HD13      LEU   7   1.896  -9.553  -4.228
   48   HD21  LEU   7          HD21      LEU   7   0.660  -7.985  -2.910
   49   HD22  LEU   7          HD22      LEU   7  -0.286  -8.705  -1.603
   50   HD23  LEU   7          HD23      LEU   7  -0.361  -9.388  -3.227
   51    H    GLN   8           HN       GLN   8   3.886 -13.455  -1.473
   52    HA   GLN   8           HA       GLN   8   3.798 -13.914   1.324
   53    HB2  GLN   8           HB2      GLN   8   5.168 -15.036  -0.745
   54    HB3  GLN   8           HB1      GLN   8   6.423 -14.090   0.046
   55    HG2  GLN   8           HG2      GLN   8   5.510 -15.206   2.205
   56    HG3  GLN   8           HG1      GLN   8   4.852 -16.391   1.081
   57   HE21  GLN   8          HE21      GLN   8   7.216 -15.925  -0.732
   58   HE22  GLN   8          HE22      GLN   8   8.492 -16.828  -0.006
   59    H    VAL   9           HN       VAL   9   4.162 -12.490   2.825
   60    HA   VAL   9           HA       VAL   9   6.013 -10.325   2.201
   61    HB   VAL   9           HB       VAL   9   3.379 -10.199   3.647
   62   HG11  VAL   9          HG11      VAL   9   5.576  -8.146   3.727
   63   HG12  VAL   9          HG12      VAL   9   4.890  -9.035   5.088
   64   HG13  VAL   9          HG13      VAL   9   3.909  -7.854   4.221
   65   HG21  VAL   9          HG21      VAL   9   3.439  -9.909   1.199
   66   HG22  VAL   9          HG22      VAL   9   4.507  -8.522   1.415
   67   HG23  VAL   9          HG23      VAL   9   2.862  -8.476   2.048
   68    H    ARG  10           HN       ARG  10   7.660 -10.012   3.615
   69    HA   ARG  10           HA       ARG  10   7.683 -11.777   5.959
   70    HB2  ARG  10           HB2      ARG  10   9.532 -11.834   4.154
   71    HB3  ARG  10           HB1      ARG  10  10.084 -10.326   4.865
   72    HG2  ARG  10           HG2      ARG  10   9.667 -12.719   6.598
   73    HG3  ARG  10           HG1      ARG  10  11.128 -12.575   5.620
   74    HD2  ARG  10           HD2      ARG  10  11.588 -10.396   6.664
   75    HD3  ARG  10           HD1      ARG  10  10.150 -10.585   7.665
   76    HE   ARG  10           HE       ARG  10  11.818 -12.817   8.018
   77   HH11  ARG  10          HH11      ARG  10  11.697  -9.412   8.749
   78   HH12  ARG  10          HH12      ARG  10  12.668  -9.552  10.176
   79   HH21  ARG  10          HH21      ARG  10  13.097 -13.012   9.895
   80   HH22  ARG  10          HH22      ARG  10  13.464 -11.599  10.828
   81    H    GLY  11           HN       GLY  11   7.935 -11.063   7.981
   82    HA2  GLY  11           HA2      GLY  11   8.403  -9.466   9.663
   83    HA3  GLY  11           HA1      GLY  11   8.463  -8.215   8.429
   84    H    ARG  12           HN       ARG  12   6.790  -9.131  11.020
   85    HA   ARG  12           HA       ARG  12   4.107  -9.145  10.361
   86    HB2  ARG  12           HB2      ARG  12   5.320  -9.393  12.665
   87    HB3  ARG  12           HB1      ARG  12   5.042  -7.661  12.789
   88    HG2  ARG  12           HG2      ARG  12   3.251  -8.715  13.899
   89    HG3  ARG  12           HG1      ARG  12   2.610  -8.131  12.363
   90    HD2  ARG  12           HD2      ARG  12   2.897 -10.385  11.417
   91    HD3  ARG  12           HD1      ARG  12   3.474 -10.952  12.983
   92    HE   ARG  12           HE       ARG  12   0.776  -9.816  12.685
   93   HH11  ARG  12          HH11      ARG  12   2.906 -12.409  13.626
   94   HH12  ARG  12          HH12      ARG  12   1.646 -13.355  14.345
   95   HH21  ARG  12          HH21      ARG  12  -0.888 -11.056  13.629
   96   HH22  ARG  12          HH22      ARG  12  -0.510 -12.586  14.348
   97    H    GLU  13           HN       GLU  13   6.076  -6.221  11.020
   98    HA   GLU  13           HA       GLU  13   4.033  -4.388  10.828
   99    HB2  GLU  13           HB2      GLU  13   6.423  -3.953  11.491
  100    HB3  GLU  13           HB1      GLU  13   6.825  -3.932   9.778
  101    HG2  GLU  13           HG2      GLU  13   6.577  -1.690  10.405
  102    HG3  GLU  13           HG1      GLU  13   5.108  -2.110   9.527
  103    H    ASN  14           HN       ASN  14   6.021  -5.702   8.197
  104    HA   ASN  14           HA       ASN  14   4.906  -4.153   6.103
  105    HB2  ASN  14           HB2      ASN  14   6.192  -6.892   5.973
  106    HB3  ASN  14           HB1      ASN  14   5.967  -5.782   4.625
  107   HD21  ASN  14          HD21      ASN  14   8.252  -5.952   4.313
  108   HD22  ASN  14          HD22      ASN  14   9.332  -5.008   5.276
  109    H    PHE  15           HN       PHE  15   4.225  -7.410   7.321
  110    HA   PHE  15           HA       PHE  15   2.274  -8.162   5.488
  111    HB2  PHE  15           HB2      PHE  15   3.379  -9.666   7.122
  112    HB3  PHE  15           HB1      PHE  15   2.432  -8.927   8.407
  113    HD1  PHE  15           HD2      PHE  15   1.365  -9.923   4.978
  114    HD2  PHE  15           HD1      PHE  15   1.070 -10.631   9.173
  115    HE1  PHE  15           HE2      PHE  15  -0.429 -11.534   4.574
  116    HE2  PHE  15           HE1      PHE  15  -0.752 -12.243   8.761
  117    HZ   PHE  15           HZ       PHE  15  -1.497 -12.690   6.452
  118    H    GLU  16           HN       GLU  16   1.895  -6.514   8.613
  119    HA   GLU  16           HA       GLU  16  -0.933  -6.361   8.608
  120    HB2  GLU  16           HB2      GLU  16   1.143  -4.613   9.934
  121    HB3  GLU  16           HB1      GLU  16  -0.584  -4.522  10.253
  122    HG2  GLU  16           HG2      GLU  16  -0.548  -6.851  11.028
  123    HG3  GLU  16           HG1      GLU  16   1.191  -6.903  10.746
  124    H    ILE  17           HN       ILE  17   1.490  -4.009   7.414
  125    HA   ILE  17           HA       ILE  17  -0.429  -2.050   6.758
  126    HB   ILE  17           HB       ILE  17   2.407  -2.503   6.152
  127   HG12  ILE  17          HG12      ILE  17   0.984   0.111   6.540
  128   HG13  ILE  17          HG11      ILE  17   1.245  -0.975   7.899
  129   HG21  ILE  17          HG21      ILE  17   1.570  -2.248   3.869
  130   HG22  ILE  17          HG22      ILE  17   2.506  -0.836   4.364
  131   HG23  ILE  17          HG23      ILE  17   0.742  -0.760   4.337
  132   HD11  ILE  17          HD11      ILE  17   2.950   0.772   7.725
  133   HD12  ILE  17          HD12      ILE  17   3.404   0.154   6.135
  134   HD13  ILE  17          HD13      ILE  17   3.635  -0.848   7.570
  135    H    LEU  18           HN       LEU  18   0.927  -4.749   4.859
  136    HA   LEU  18           HA       LEU  18  -0.442  -4.009   2.450
  137    HB2  LEU  18           HB2      LEU  18   1.138  -6.372   3.389
  138    HB3  LEU  18           HB1      LEU  18   0.207  -6.456   1.906
  139    HG   LEU  18           HG       LEU  18   1.877  -4.084   1.981
  140   HD11  LEU  18          HD11      LEU  18   3.150  -6.770   2.385
  141   HD12  LEU  18          HD12      LEU  18   3.445  -5.274   3.265
  142   HD13  LEU  18          HD13      LEU  18   3.991  -5.438   1.597
  143   HD21  LEU  18          HD21      LEU  18   1.555  -6.446   0.143
  144   HD22  LEU  18          HD22      LEU  18   2.625  -5.085  -0.193
  145   HD23  LEU  18          HD23      LEU  18   0.887  -4.826  -0.052
  146    H    MET  19           HN       MET  19  -0.968  -6.305   5.096
  147    HA   MET  19           HA       MET  19  -3.166  -7.639   3.977
  148    HB2  MET  19           HB2      MET  19  -1.759  -8.090   6.198
  149    HB3  MET  19           HB1      MET  19  -3.067  -7.185   6.939
  150    HG2  MET  19           HG2      MET  19  -3.195  -9.816   5.510
  151    HG3  MET  19           HG1      MET  19  -3.608  -9.446   7.178
  152    HE1  MET  19           HE1      MET  19  -5.174 -11.034   4.783
  153    HE2  MET  19           HE2      MET  19  -6.856 -10.561   5.030
  154    HE3  MET  19           HE3      MET  19  -5.864 -11.044   6.406
  155    H    LYS  20           HN       LYS  20  -3.058  -4.861   6.165
  156    HA   LYS  20           HA       LYS  20  -5.795  -4.351   6.348
  157    HB2  LYS  20           HB2      LYS  20  -3.686  -3.256   7.487
  158    HB3  LYS  20           HB1      LYS  20  -3.848  -2.105   6.169
  159    HG2  LYS  20           HG2      LYS  20  -6.156  -2.797   7.953
  160    HG3  LYS  20           HG1      LYS  20  -4.988  -1.545   8.375
  161    HD2  LYS  20           HD2      LYS  20  -5.486  -0.466   6.167
  162    HD3  LYS  20           HD1      LYS  20  -6.791  -1.636   5.961
  163    HE2  LYS  20           HE2      LYS  20  -6.547   0.262   8.290
  164    HE3  LYS  20           HE1      LYS  20  -7.536   0.558   6.862
  165    HZ1  LYS  20           HZ1      LYS  20  -7.855  -1.730   8.730
  166    HZ2  LYS  20           HZ2      LYS  20  -8.820  -1.416   7.377
  167    HZ3  LYS  20           HZ3      LYS  20  -8.837  -0.352   8.691
  168    H    LEU  21           HN       LEU  21  -3.393  -3.408   3.953
  169    HA   LEU  21           HA       LEU  21  -5.153  -1.775   2.448
  170    HB2  LEU  21           HB2      LEU  21  -2.992  -1.204   1.983
  171    HB3  LEU  21           HB1      LEU  21  -2.412  -2.851   2.116
  172    HG   LEU  21           HG       LEU  21  -3.228  -3.355  -0.125
  173   HD11  LEU  21          HD11      LEU  21  -4.756  -0.962   0.260
  174   HD12  LEU  21          HD12      LEU  21  -4.897  -2.191  -0.995
  175   HD13  LEU  21          HD13      LEU  21  -3.788  -0.836  -1.208
  176   HD21  LEU  21          HD21      LEU  21  -1.578  -0.844   0.046
  177   HD22  LEU  21          HD22      LEU  21  -1.739  -1.846  -1.395
  178   HD23  LEU  21          HD23      LEU  21  -0.985  -2.504   0.058
  179    H    LYS  22           HN       LYS  22  -4.232  -5.170   2.236
  180    HA   LYS  22           HA       LYS  22  -5.345  -5.819  -0.210
  181    HB2  LYS  22           HB2      LYS  22  -4.064  -7.487   0.842
  182    HB3  LYS  22           HB1      LYS  22  -4.946  -7.341   2.354
  183    HG2  LYS  22           HG2      LYS  22  -6.595  -8.200   0.098
  184    HG3  LYS  22           HG1      LYS  22  -5.289  -9.313   0.511
  185    HD2  LYS  22           HD2      LYS  22  -6.101  -9.026   2.939
  186    HD3  LYS  22           HD1      LYS  22  -7.571  -8.370   2.215
  187    HE2  LYS  22           HE2      LYS  22  -6.391 -11.079   1.606
  188    HE3  LYS  22           HE1      LYS  22  -7.736 -10.784   2.708
  189    HZ1  LYS  22           HZ1      LYS  22  -9.027  -9.921   0.875
  190    HZ2  LYS  22           HZ2      LYS  22  -8.483 -11.479   0.505
  191    HZ3  LYS  22           HZ3      LYS  22  -7.730 -10.133  -0.190
  192    H    GLU  23           HN       GLU  23  -6.810  -5.530   2.981
  193    HA   GLU  23           HA       GLU  23  -9.416  -6.336   2.204
  194    HB2  GLU  23           HB2      GLU  23  -8.442  -4.637   4.509
  195    HB3  GLU  23           HB1      GLU  23 -10.116  -5.132   4.307
  196    HG2  GLU  23           HG2      GLU  23  -9.575  -7.413   4.615
  197    HG3  GLU  23           HG1      GLU  23  -7.851  -7.093   4.480
  198    H    SER  24           HN       SER  24  -7.899  -3.115   2.465
  199    HA   SER  24           HA       SER  24 -10.180  -1.705   1.741
  200    HB2  SER  24           HB2      SER  24  -8.703   0.170   1.222
  201    HB3  SER  24           HB1      SER  24  -8.159  -0.640   2.685
  202    HG   SER  24           HG       SER  24  -6.517  -0.099   1.038
  203    H    LEU  25           HN       LEU  25  -7.574  -2.959  -0.357
  204    HA   LEU  25           HA       LEU  25  -8.606  -1.968  -2.804
  205    HB2  LEU  25           HB2      LEU  25  -6.584  -3.962  -1.967
  206    HB3  LEU  25           HB1      LEU  25  -7.245  -4.151  -3.579
  207    HG   LEU  25           HG       LEU  25  -6.018  -1.575  -2.603
  208   HD11  LEU  25          HD11      LEU  25  -4.736  -3.819  -4.154
  209   HD12  LEU  25          HD12      LEU  25  -4.323  -3.305  -2.518
  210   HD13  LEU  25          HD13      LEU  25  -4.027  -2.227  -3.882
  211   HD21  LEU  25          HD21      LEU  25  -7.527  -1.348  -4.500
  212   HD22  LEU  25          HD22      LEU  25  -6.654  -2.618  -5.360
  213   HD23  LEU  25          HD23      LEU  25  -5.854  -1.089  -4.998
  214    H    GLU  26           HN       GLU  26  -9.008  -5.096  -1.174
  215    HA   GLU  26           HA       GLU  26 -10.591  -6.254  -3.222
  216    HB2  GLU  26           HB2      GLU  26 -10.323  -6.938  -0.295
  217    HB3  GLU  26           HB1      GLU  26 -11.248  -7.898  -1.441
  218    HG2  GLU  26           HG2      GLU  26  -8.289  -7.479  -1.301
  219    HG3  GLU  26           HG1      GLU  26  -9.199  -8.987  -1.281
  220    H    LEU  27           HN       LEU  27 -11.409  -4.596  -0.201
  221    HA   LEU  27           HA       LEU  27 -14.230  -4.906  -0.396
  222    HB2  LEU  27           HB2      LEU  27 -12.420  -3.071   1.132
  223    HB3  LEU  27           HB1      LEU  27 -14.158  -2.839   1.147
  224    HG   LEU  27           HG       LEU  27 -12.870  -5.449   1.929
  225   HD11  LEU  27          HD11      LEU  27 -13.740  -3.227   3.765
  226   HD12  LEU  27          HD12      LEU  27 -12.064  -3.625   3.384
  227   HD13  LEU  27          HD13      LEU  27 -13.076  -4.792   4.234
  228   HD21  LEU  27          HD21      LEU  27 -15.599  -4.266   2.419
  229   HD22  LEU  27          HD22      LEU  27 -15.021  -5.801   3.066
  230   HD23  LEU  27          HD23      LEU  27 -15.211  -5.594   1.325
  231    H    MET  28           HN       MET  28 -12.029  -2.458  -1.740
  232    HA   MET  28           HA       MET  28 -13.965  -0.619  -2.315
  233    HB2  MET  28           HB2      MET  28 -11.493  -0.305  -2.689
  234    HB3  MET  28           HB1      MET  28 -11.644  -1.253  -4.163
  235    HG2  MET  28           HG2      MET  28 -13.463   0.514  -4.760
  236    HG3  MET  28           HG1      MET  28 -12.625   1.485  -3.561
  237    HE1  MET  28           HE1      MET  28 -10.654   2.779  -3.901
  238    HE2  MET  28           HE2      MET  28  -9.418   2.551  -5.140
  239    HE3  MET  28           HE3      MET  28  -9.602   1.365  -3.850
  240    H    GLU  29           HN       GLU  29 -13.839  -3.775  -3.547
  241    HA   GLU  29           HA       GLU  29 -15.243  -3.132  -6.015
  242    HB2  GLU  29           HB2      GLU  29 -14.804  -5.276  -6.689
  243    HB3  GLU  29           HB1      GLU  29 -13.443  -4.991  -5.616
  244    HG2  GLU  29           HG2      GLU  29 -14.708  -6.138  -3.809
  245    HG3  GLU  29           HG1      GLU  29 -15.950  -6.533  -4.996
  246    H    LEU  30           HN       LEU  30 -15.958  -4.110  -2.756
  247    HA   LEU  30           HA       LEU  30 -18.578  -5.140  -3.487
  248    HB2  LEU  30           HB2      LEU  30 -18.521  -6.282  -1.572
  249    HB3  LEU  30           HB1      LEU  30 -16.824  -5.859  -1.542
  250    HG   LEU  30           HG       LEU  30 -18.998  -4.341  -0.109
  251   HD11  LEU  30          HD11      LEU  30 -18.129  -5.353   1.918
  252   HD12  LEU  30          HD12      LEU  30 -16.941  -6.258   0.976
  253   HD13  LEU  30          HD13      LEU  30 -18.661  -6.602   0.792
  254   HD21  LEU  30          HD21      LEU  30 -17.202  -2.859  -0.568
  255   HD22  LEU  30          HD22      LEU  30 -16.009  -4.078  -0.122
  256   HD23  LEU  30          HD23      LEU  30 -17.040  -3.366   1.113
  257    H    VAL  31           HN       VAL  31 -17.386  -2.193  -3.261
  258    HA   VAL  31           HA       VAL  31 -19.708  -1.063  -1.866
  259    HB   VAL  31           HB       VAL  31 -17.751  -0.021  -1.057
  260   HG11  VAL  31          HG11      VAL  31 -16.050   0.991  -2.516
  261   HG12  VAL  31          HG12      VAL  31 -16.895   0.342  -3.922
  262   HG13  VAL  31          HG13      VAL  31 -16.180  -0.753  -2.739
  263   HG21  VAL  31          HG21      VAL  31 -19.348   1.653  -1.332
  264   HG22  VAL  31          HG22      VAL  31 -19.194   1.647  -3.088
  265   HG23  VAL  31          HG23      VAL  31 -17.909   2.326  -2.095
  266    HA   PRO  32           HA       PRO  32 -21.887  -0.649  -5.717
  267    HB2  PRO  32           HB2      PRO  32 -22.694   1.898  -4.343
  268    HB3  PRO  32           HB1      PRO  32 -23.693   0.753  -5.248
  269    HG2  PRO  32           HG2      PRO  32 -23.638   0.731  -2.572
  270    HG3  PRO  32           HG1      PRO  32 -23.766  -0.768  -3.510
  271    HD2  PRO  32           HD2      PRO  32 -21.489   0.283  -1.950
  272    HD3  PRO  32           HD1      PRO  32 -21.850  -1.387  -2.436
  273    H    GLN  33           HN       GLN  33 -21.104   0.092  -7.585
  274    HA   GLN  33           HA       GLN  33 -18.890   1.687  -7.892
  275    HB2  GLN  33           HB2      GLN  33 -19.761   0.212  -9.639
  276    HB3  GLN  33           HB1      GLN  33 -21.131   1.287  -9.876
  277    HG2  GLN  33           HG2      GLN  33 -19.609   3.063 -10.591
  278    HG3  GLN  33           HG1      GLN  33 -18.241   1.974 -10.366
  279   HE21  GLN  33          HE21      GLN  33 -21.333   0.953 -11.630
  280   HE22  GLN  33          HE22      GLN  33 -20.792   0.642 -13.240
  281    HA   PRO  34           HA       PRO  34 -21.852   5.469  -8.951
  282    HB2  PRO  34           HB2      PRO  34 -24.106   5.450  -7.336
  283    HB3  PRO  34           HB1      PRO  34 -24.072   5.016  -9.048
  284    HG2  PRO  34           HG2      PRO  34 -24.010   3.247  -6.642
  285    HG3  PRO  34           HG1      PRO  34 -24.868   3.024  -8.178
  286    HD2  PRO  34           HD2      PRO  34 -22.613   1.696  -7.648
  287    HD3  PRO  34           HD1      PRO  34 -22.955   2.302  -9.282
  288    H    LEU  35           HN       LEU  35 -21.602   3.959  -5.776
  289    HA   LEU  35           HA       LEU  35 -21.590   6.444  -4.340
  290    HB2  LEU  35           HB2      LEU  35 -22.467   4.382  -3.346
  291    HB3  LEU  35           HB1      LEU  35 -20.899   3.620  -3.512
  292    HG   LEU  35           HG       LEU  35 -19.963   5.186  -1.891
  293   HD11  LEU  35          HD11      LEU  35 -22.773   6.222  -1.618
  294   HD12  LEU  35          HD12      LEU  35 -21.407   7.100  -2.307
  295   HD13  LEU  35          HD13      LEU  35 -21.402   6.661  -0.598
  296   HD21  LEU  35          HD21      LEU  35 -21.175   4.347   0.094
  297   HD22  LEU  35          HD22      LEU  35 -20.787   3.084  -1.074
  298   HD23  LEU  35          HD23      LEU  35 -22.428   3.724  -0.980
  299    H    VAL  36           HN       VAL  36 -19.252   4.252  -5.722
  300    HA   VAL  36           HA       VAL  36 -16.958   5.427  -4.429
  301    HB   VAL  36           HB       VAL  36 -17.190   3.617  -6.847
  302   HG11  VAL  36          HG11      VAL  36 -14.707   4.668  -5.495
  303   HG12  VAL  36          HG12      VAL  36 -15.227   4.991  -7.149
  304   HG13  VAL  36          HG13      VAL  36 -14.733   3.364  -6.682
  305   HG21  VAL  36          HG21      VAL  36 -16.247   1.926  -5.377
  306   HG22  VAL  36          HG22      VAL  36 -17.722   2.595  -4.679
  307   HG23  VAL  36          HG23      VAL  36 -16.146   3.099  -4.064
  308    H    ASP  37           HN       ASP  37 -18.636   5.869  -7.503
  309    HA   ASP  37           HA       ASP  37 -16.811   7.631  -8.690
  310    HB2  ASP  37           HB2      ASP  37 -18.713   6.657  -9.915
  311    HB3  ASP  37           HB1      ASP  37 -19.832   7.590  -8.926
  312    H    SER  38           HN       SER  38 -19.555   8.212  -6.476
  313    HA   SER  38           HA       SER  38 -19.396  10.992  -6.421
  314    HB2  SER  38           HB2      SER  38 -21.271   9.785  -5.434
  315    HB3  SER  38           HB1      SER  38 -20.210   9.086  -4.211
  316    HG   SER  38           HG       SER  38 -20.024  11.031  -3.243
  317    H    TYR  39           HN       TYR  39 -17.706   8.589  -4.409
  318    HA   TYR  39           HA       TYR  39 -16.366  10.408  -2.746
  319    HB2  TYR  39           HB2      TYR  39 -16.216   8.233  -1.965
  320    HB3  TYR  39           HB1      TYR  39 -15.893   7.570  -3.565
  321    HD1  TYR  39           HD1      TYR  39 -14.372   9.502  -0.788
  322    HD2  TYR  39           HD2      TYR  39 -13.681   7.203  -4.299
  323    HE1  TYR  39           HE1      TYR  39 -11.968   9.476  -0.293
  324    HE2  TYR  39           HE2      TYR  39 -11.287   7.169  -3.817
  325    HH   TYR  39           HH       TYR  39  -9.990   8.156  -0.816
  326    H    ARG  40           HN       ARG  40 -15.411   8.928  -5.817
  327    HA   ARG  40           HA       ARG  40 -12.835   9.946  -6.011
  328    HB2  ARG  40           HB2      ARG  40 -14.873   9.274  -8.131
  329    HB3  ARG  40           HB1      ARG  40 -13.230   9.765  -8.523
  330    HG2  ARG  40           HG2      ARG  40 -12.387   7.855  -7.200
  331    HG3  ARG  40           HG1      ARG  40 -14.056   7.344  -6.936
  332    HD2  ARG  40           HD2      ARG  40 -14.356   7.158  -9.374
  333    HD3  ARG  40           HD1      ARG  40 -12.667   7.608  -9.601
  334    HE   ARG  40           HE       ARG  40 -12.903   5.367  -7.876
  335   HH11  ARG  40          HH11      ARG  40 -13.061   6.306 -11.228
  336   HH12  ARG  40          HH12      ARG  40 -12.607   4.743 -11.820
  337   HH21  ARG  40          HH21      ARG  40 -12.304   3.307  -8.647
  338   HH22  ARG  40          HH22      ARG  40 -12.177   3.038 -10.353
  339    H    GLN  41           HN       GLN  41 -15.923  11.456  -6.683
  340    HA   GLN  41           HA       GLN  41 -14.926  13.797  -7.948
  341    HB2  GLN  41           HB2      GLN  41 -17.304  13.105  -8.029
  342    HB3  GLN  41           HB1      GLN  41 -17.446  13.443  -6.310
  343    HG2  GLN  41           HG2      GLN  41 -16.980  15.791  -6.712
  344    HG3  GLN  41           HG1      GLN  41 -16.774  15.467  -8.433
  345   HE21  GLN  41          HE21      GLN  41 -19.045  15.714  -5.810
  346   HE22  GLN  41          HE22      GLN  41 -20.470  15.787  -6.784
  347    H    GLN  42           HN       GLN  42 -15.710  13.030  -4.570
  348    HA   GLN  42           HA       GLN  42 -15.043  15.556  -3.510
  349    HB2  GLN  42           HB2      GLN  42 -16.359  13.857  -2.286
  350    HB3  GLN  42           HB1      GLN  42 -14.923  12.851  -2.160
  351    HG2  GLN  42           HG2      GLN  42 -15.130  13.922  -0.088
  352    HG3  GLN  42           HG1      GLN  42 -13.841  14.776  -0.935
  353   HE21  GLN  42          HE21      GLN  42 -15.555  15.664   1.252
  354   HE22  GLN  42          HE22      GLN  42 -16.348  17.092   0.690
  355    H    GLN  43           HN       GLN  43 -13.160  12.835  -4.500
  356    HA   GLN  43           HA       GLN  43 -10.757  13.597  -3.130
  357    HB2  GLN  43           HB2      GLN  43 -11.105  11.267  -3.636
  358    HB3  GLN  43           HB1      GLN  43 -11.314  11.618  -5.345
  359    HG2  GLN  43           HG2      GLN  43  -8.744  12.361  -4.052
  360    HG3  GLN  43           HG1      GLN  43  -9.061  10.660  -4.393
  361   HE21  GLN  43          HE21      GLN  43  -9.276   9.984  -6.536
  362   HE22  GLN  43          HE22      GLN  43  -8.702  10.940  -7.855
  363    H    GLN  44           HN       GLN  44 -11.989  13.843  -6.443
  364    HA   GLN  44           HA       GLN  44  -9.704  14.988  -7.599
  365    HB2  GLN  44           HB2      GLN  44 -12.622  15.166  -8.345
  366    HB3  GLN  44           HB1      GLN  44 -11.343  15.878  -9.319
  367    HG2  GLN  44           HG2      GLN  44 -11.574  12.962  -8.616
  368    HG3  GLN  44           HG1      GLN  44 -12.053  13.686 -10.151
  369   HE21  GLN  44          HE21      GLN  44 -10.069  11.616  -9.592
  370   HE22  GLN  44          HE22      GLN  44  -8.572  12.207 -10.218
  371    H    LEU  45           HN       LEU  45 -12.146  16.281  -5.547
  372    HA   LEU  45           HA       LEU  45 -12.057  18.997  -6.136
  373    HB2  LEU  45           HB2      LEU  45 -13.671  18.495  -4.582
  374    HB3  LEU  45           HB1      LEU  45 -12.644  17.367  -3.720
  375    HG   LEU  45           HG       LEU  45 -11.356  19.501  -2.963
  376   HD11  LEU  45          HD11      LEU  45 -12.457  21.080  -4.423
  377   HD12  LEU  45          HD12      LEU  45 -12.822  21.464  -2.741
  378   HD13  LEU  45          HD13      LEU  45 -14.028  20.656  -3.742
  379   HD21  LEU  45          HD21      LEU  45 -13.011  19.785  -1.087
  380   HD22  LEU  45          HD22      LEU  45 -12.456  18.136  -1.377
  381   HD23  LEU  45          HD23      LEU  45 -14.050  18.642  -1.939
  382    H    LEU  46           HN       LEU  46 -10.054  17.136  -3.877
  383    HA   LEU  46           HA       LEU  46  -7.913  19.102  -4.211
  384    HB2  LEU  46           HB2      LEU  46  -8.983  19.792  -2.187
  385    HB3  LEU  46           HB1      LEU  46  -9.052  18.147  -1.592
  386    HG   LEU  46           HG       LEU  46  -6.590  18.133  -1.384
  387   HD11  LEU  46          HD11      LEU  46  -6.081  19.750  -3.135
  388   HD12  LEU  46          HD12      LEU  46  -5.345  20.208  -1.600
  389   HD13  LEU  46          HD13      LEU  46  -6.798  21.034  -2.162
  390   HD21  LEU  46          HD21      LEU  46  -7.958  20.423   0.022
  391   HD22  LEU  46          HD22      LEU  46  -6.458  19.647   0.532
  392   HD23  LEU  46          HD23      LEU  46  -7.967  18.735   0.533
  393    H    GLN  47           HN       GLN  47  -6.872  17.559  -5.502
  394    HA   GLN  47           HA       GLN  47  -6.183  14.982  -4.344
  395    HB2  GLN  47           HB2      GLN  47  -6.779  15.613  -6.859
  396    HB3  GLN  47           HB1      GLN  47  -5.051  15.921  -6.939
  397    HG2  GLN  47           HG2      GLN  47  -6.165  13.331  -5.918
  398    HG3  GLN  47           HG1      GLN  47  -5.865  13.620  -7.630
  399   HE21  GLN  47          HE21      GLN  47  -4.435  13.151  -4.504
  400   HE22  GLN  47          HE22      GLN  47  -2.817  12.899  -5.055
  401    H    ARG  48           HN       ARG  48  -5.149  16.962  -2.807
  402    HA   ARG  48           HA       ARG  48  -2.271  16.681  -3.303
  403    HB2  ARG  48           HB2      ARG  48  -3.667  19.236  -2.489
  404    HB3  ARG  48           HB1      ARG  48  -1.925  19.006  -2.485
  405    HG2  ARG  48           HG2      ARG  48  -1.946  18.664  -4.886
  406    HG3  ARG  48           HG1      ARG  48  -3.702  18.837  -4.905
  407    HD2  ARG  48           HD2      ARG  48  -3.499  21.126  -4.101
  408    HD3  ARG  48           HD1      ARG  48  -1.746  20.956  -4.020
  409    HE   ARG  48           HE       ARG  48  -2.746  20.407  -6.631
  410   HH11  ARG  48          HH11      ARG  48  -1.929  22.990  -4.439
  411   HH12  ARG  48          HH12      ARG  48  -1.606  24.132  -5.701
  412   HH21  ARG  48          HH21      ARG  48  -2.323  21.903  -8.297
  413   HH22  ARG  48          HH22      ARG  48  -1.830  23.514  -7.894
  414    H    ASP   1           HT1      ASP   1   5.725 -14.227  16.680
  415    HA   ASP   1           HA       ASP   1   6.772 -15.352  14.841
  416    HB2  ASP   1           HB2      ASP   1   4.960 -17.006  14.484
  417    HB3  ASP   1           HB1      ASP   1   3.945 -15.728  13.822
  418    H    GLU   2           HN       GLU   2   7.236 -14.239  12.868
  419    HA   GLU   2           HA       GLU   2   5.680 -12.011  12.001
  420    HB2  GLU   2           HB2      GLU   2   7.281 -10.240  12.597
  421    HB3  GLU   2           HB1      GLU   2   6.589 -10.999  14.024
  422    HG2  GLU   2           HG2      GLU   2   8.622 -12.344  14.281
  423    HG3  GLU   2           HG1      GLU   2   9.316 -11.544  12.872
  424    H    ASP   3           HN       ASP   3   7.274 -14.429  11.101
  425    HA   ASP   3           HA       ASP   3   9.342 -13.315   9.426
  426    HB2  ASP   3           HB2      ASP   3   8.128 -16.086   9.397
  427    HB3  ASP   3           HB1      ASP   3   9.612 -15.593   8.589
  428    H    THR   4           HN       THR   4   8.550 -15.217   7.173
  429    HA   THR   4           HA       THR   4   7.077 -13.273   5.693
  430    HB   THR   4           HB       THR   4   7.230 -15.951   4.518
  431    HG1  THR   4           HG1      THR   4   9.624 -15.262   4.124
  432   HG21  THR   4          HG21      THR   4   8.099 -13.204   3.611
  433   HG22  THR   4          HG22      THR   4   6.578 -14.005   3.206
  434   HG23  THR   4          HG23      THR   4   8.104 -14.655   2.602
  435    H    TYR   5           HN       TYR   5   5.079 -13.361   4.882
  436    HA   TYR   5           HA       TYR   5   3.201 -15.223   6.179
  437    HB2  TYR   5           HB2      TYR   5   3.051 -12.260   5.816
  438    HB3  TYR   5           HB1      TYR   5   1.626 -13.248   6.124
  439    HD1  TYR   5           HD2      TYR   5   1.578 -14.659   8.231
  440    HD2  TYR   5           HD1      TYR   5   4.451 -11.591   7.579
  441    HE1  TYR   5           HE2      TYR   5   2.032 -14.580  10.644
  442    HE2  TYR   5           HE1      TYR   5   4.912 -11.502   9.992
  443    HH   TYR   5           HH       TYR   5   3.841 -13.893  12.153
  444    H    TYR   6           HN       TYR   6   1.111 -15.415   4.861
  445    HA   TYR   6           HA       TYR   6   1.601 -14.720   2.049
  446    HB2  TYR   6           HB2      TYR   6  -0.343 -16.844   2.988
  447    HB3  TYR   6           HB1      TYR   6   0.311 -16.618   1.372
  448    HD1  TYR   6           HD2      TYR   6   3.212 -16.251   2.157
  449    HD2  TYR   6           HD1      TYR   6   0.296 -19.092   3.381
  450    HE1  TYR   6           HE2      TYR   6   5.002 -17.858   2.638
  451    HE2  TYR   6           HE1      TYR   6   2.077 -20.715   3.873
  452    HH   TYR   6           HH       TYR   6   5.355 -19.856   4.038
  453    H    LEU   7           HN       LEU   7   0.325 -13.378   1.059
  454    HA   LEU   7           HA       LEU   7  -2.099 -12.412   2.445
  455    HB2  LEU   7           HB2      LEU   7   0.202 -11.123   1.619
  456    HB3  LEU   7           HB1      LEU   7  -0.915 -10.800   0.323
  457    HG   LEU   7           HG       LEU   7  -2.074  -9.296   1.521
  458   HD11  LEU   7          HD11      LEU   7  -1.916 -11.244   3.674
  459   HD12  LEU   7          HD12      LEU   7  -3.212 -10.136   3.235
  460   HD13  LEU   7          HD13      LEU   7  -1.858  -9.567   4.216
  461   HD21  LEU   7          HD21      LEU   7  -0.629  -7.991   2.899
  462   HD22  LEU   7          HD22      LEU   7   0.321  -8.706   1.592
  463   HD23  LEU   7          HD23      LEU   7   0.397  -9.391   3.215
  464    H    GLN   8           HN       GLN   8  -3.833 -13.473   1.456
  465    HA   GLN   8           HA       GLN   8  -3.741 -13.930  -1.342
  466    HB2  GLN   8           HB2      GLN   8  -5.108 -15.060   0.725
  467    HB3  GLN   8           HB1      GLN   8  -6.366 -14.118  -0.064
  468    HG2  GLN   8           HG2      GLN   8  -5.451 -15.228  -2.225
  469    HG3  GLN   8           HG1      GLN   8  -4.786 -16.411  -1.103
  470   HE21  GLN   8          HE21      GLN   8  -7.148 -15.960   0.714
  471   HE22  GLN   8          HE22      GLN   8  -8.421 -16.869  -0.011
  472    H    VAL   9           HN       VAL   9  -4.113 -12.506  -2.842
  473    HA   VAL   9           HA       VAL   9  -5.973 -10.349  -2.217
  474    HB   VAL   9           HB       VAL   9  -3.338 -10.212  -3.661
  475   HG11  VAL   9          HG11      VAL   9  -5.544  -8.168  -3.740
  476   HG12  VAL   9          HG12      VAL   9  -4.853  -9.053  -5.102
  477   HG13  VAL   9          HG13      VAL   9  -3.877  -7.869  -4.233
  478   HG21  VAL   9          HG21      VAL   9  -3.400  -9.924  -1.213
  479   HG22  VAL   9          HG22      VAL   9  -4.473  -8.541  -1.428
  480   HG23  VAL   9          HG23      VAL   9  -2.828  -8.488  -2.061
  481    H    ARG  10           HN       ARG  10  -7.620 -10.040  -3.631
  482    HA   ARG  10           HA       ARG  10  -7.635 -11.804  -5.977
  483    HB2  ARG  10           HB2      ARG  10  -9.483 -11.871  -4.171
  484    HB3  ARG  10           HB1      ARG  10 -10.043 -10.364  -4.881
  485    HG2  ARG  10           HG2      ARG  10  -9.616 -12.756  -6.614
  486    HG3  ARG  10           HG1      ARG  10 -11.078 -12.617  -5.636
  487    HD2  ARG  10           HD2      ARG  10 -11.546 -10.441  -6.681
  488    HD3  ARG  10           HD1      ARG  10 -10.106 -10.622  -7.680
  489    HE   ARG  10           HE       ARG  10 -11.763 -12.862  -8.038
  490   HH11  ARG  10          HH11      ARG  10 -11.656  -9.455  -8.767
  491   HH12  ARG  10          HH12      ARG  10 -12.628  -9.599 -10.193
  492   HH21  ARG  10          HH21      ARG  10 -13.043 -13.059  -9.914
  493   HH22  ARG  10          HH22      ARG  10 -13.415 -11.647 -10.845
  494    H    GLY  11           HN       GLY  11  -7.890 -11.089  -7.999
  495    HA2  GLY  11           HA2      GLY  11  -8.363  -9.493  -9.681
  496    HA3  GLY  11           HA1      GLY  11  -8.430  -8.244  -8.445
  497    H    ARG  12           HN       ARG  12  -6.752  -9.151 -11.036
  498    HA   ARG  12           HA       ARG  12  -4.069  -9.154 -10.376
  499    HB2  ARG  12           HB2      ARG  12  -5.280  -9.406 -12.680
  500    HB3  ARG  12           HB1      ARG  12  -5.010  -7.673 -12.803
  501    HG2  ARG  12           HG2      ARG  12  -3.212  -8.717 -13.913
  502    HG3  ARG  12           HG1      ARG  12  -2.576  -8.133 -12.374
  503    HD2  ARG  12           HD2      ARG  12  -2.854 -10.389 -11.432
  504    HD3  ARG  12           HD1      ARG  12  -3.428 -10.957 -12.998
  505    HE   ARG  12           HE       ARG  12  -0.735  -9.809 -12.698
  506   HH11  ARG  12          HH11      ARG  12  -2.853 -12.412 -13.641
  507   HH12  ARG  12          HH12      ARG  12  -1.589 -13.351 -14.362
  508   HH21  ARG  12          HH21      ARG  12   0.935 -11.040 -13.644
  509   HH22  ARG  12          HH22      ARG  12   0.564 -12.571 -14.363
  510    H    GLU  13           HN       GLU  13  -6.049  -6.238 -11.032
  511    HA   GLU  13           HA       GLU  13  -4.015  -4.396 -10.837
  512    HB2  GLU  13           HB2      GLU  13  -6.408  -3.970 -11.500
  513    HB3  GLU  13           HB1      GLU  13  -6.808  -3.953  -9.787
  514    HG2  GLU  13           HG2      GLU  13  -6.570  -1.709 -10.411
  515    HG3  GLU  13           HG1      GLU  13  -5.098  -2.125  -9.534
  516    H    ASN  14           HN       ASN  14  -5.998  -5.722  -8.208
  517    HA   ASN  14           HA       ASN  14  -4.890  -4.169  -6.112
  518    HB2  ASN  14           HB2      ASN  14  -6.165  -6.914  -5.986
  519    HB3  ASN  14           HB1      ASN  14  -5.944  -5.805  -4.636
  520   HD21  ASN  14          HD21      ASN  14  -8.228  -5.983  -4.325
  521   HD22  ASN  14          HD22      ASN  14  -9.312  -5.043  -5.288
  522    H    PHE  15           HN       PHE  15  -4.195  -7.423  -7.333
  523    HA   PHE  15           HA       PHE  15  -2.241  -8.168  -5.501
  524    HB2  PHE  15           HB2      PHE  15  -3.340  -9.675  -7.136
  525    HB3  PHE  15           HB1      PHE  15  -2.396  -8.931  -8.421
  526    HD1  PHE  15           HD2      PHE  15  -1.326  -9.926  -4.993
  527    HD2  PHE  15           HD1      PHE  15  -1.025 -10.629  -9.188
  528    HE1  PHE  15           HE2      PHE  15   0.474 -11.529  -4.588
  529    HE2  PHE  15           HE1      PHE  15   0.804 -12.234  -8.776
  530    HZ   PHE  15           HZ       PHE  15   1.549 -12.680  -6.467
  531    H    GLU  16           HN       GLU  16  -1.868  -6.515  -8.624
  532    HA   GLU  16           HA       GLU  16   0.959  -6.350  -8.618
  533    HB2  GLU  16           HB2      GLU  16  -1.123  -4.610  -9.943
  534    HB3  GLU  16           HB1      GLU  16   0.603  -4.512 -10.262
  535    HG2  GLU  16           HG2      GLU  16   0.578  -6.838 -11.038
  536    HG3  GLU  16           HG1      GLU  16  -1.161  -6.900 -10.756
  537    H    ILE  17           HN       ILE  17  -1.474  -4.010  -7.424
  538    HA   ILE  17           HA       ILE  17   0.437  -2.045  -6.765
  539    HB   ILE  17           HB       ILE  17  -2.397  -2.509  -6.159
  540   HG12  ILE  17          HG12      ILE  17  -0.986   0.110  -6.545
  541   HG13  ILE  17          HG11      ILE  17  -1.241  -0.975  -7.905
  542   HG21  ILE  17          HG21      ILE  17  -1.563  -2.253  -3.876
  543   HG22  ILE  17          HG22      ILE  17  -2.504  -0.844  -4.370
  544   HG23  ILE  17          HG23      ILE  17  -0.741  -0.761  -4.343
  545   HD11  ILE  17          HD11      ILE  17  -2.953   0.764  -7.731
  546   HD12  ILE  17          HD12      ILE  17  -3.406   0.143  -6.141
  547   HD13  ILE  17          HD13      ILE  17  -3.632  -0.860  -7.577
  548    H    LEU  18           HN       LEU  18  -0.908  -4.751  -4.869
  549    HA   LEU  18           HA       LEU  18   0.458  -4.007  -2.460
  550    HB2  LEU  18           HB2      LEU  18  -1.114  -6.374  -3.400
  551    HB3  LEU  18           HB1      LEU  18  -0.183  -6.457  -1.917
  552    HG   LEU  18           HG       LEU  18  -1.862  -4.091  -1.990
  553   HD11  LEU  18          HD11      LEU  18  -3.124  -6.782  -2.395
  554   HD12  LEU  18          HD12      LEU  18  -3.425  -5.287  -3.275
  555   HD13  LEU  18          HD13      LEU  18  -3.970  -5.454  -1.606
  556   HD21  LEU  18          HD21      LEU  18  -1.530  -6.453  -0.153
  557   HD22  LEU  18          HD22      LEU  18  -2.605  -5.096   0.184
  558   HD23  LEU  18          HD23      LEU  18  -0.868  -4.831   0.043
  559    H    MET  19           HN       MET  19   0.994  -6.299  -5.106
  560    HA   MET  19           HA       MET  19   3.198  -7.624  -3.988
  561    HB2  MET  19           HB2      MET  19   1.793  -8.080  -6.210
  562    HB3  MET  19           HB1      MET  19   3.096  -7.169  -6.950
  563    HG2  MET  19           HG2      MET  19   3.237  -9.800  -5.522
  564    HG3  MET  19           HG1      MET  19   3.649  -9.428  -7.190
  565    HE1  MET  19           HE1      MET  19   5.221 -11.010  -4.795
  566    HE2  MET  19           HE2      MET  19   6.900 -10.530  -5.043
  567    HE3  MET  19           HE3      MET  19   5.910 -11.016  -6.419
  568    H    LYS  20           HN       LYS  20   3.077  -4.844  -6.172
  569    HA   LYS  20           HA       LYS  20   5.813  -4.322  -6.355
  570    HB2  LYS  20           HB2      LYS  20   3.700  -3.235  -7.495
  571    HB3  LYS  20           HB1      LYS  20   3.856  -2.084  -6.176
  572    HG2  LYS  20           HG2      LYS  20   6.168  -2.765  -7.959
  573    HG3  LYS  20           HG1      LYS  20   4.995  -1.517  -8.379
  574    HD2  LYS  20           HD2      LYS  20   5.486  -0.439  -6.171
  575    HD3  LYS  20           HD1      LYS  20   6.796  -1.603  -5.965
  576    HE2  LYS  20           HE2      LYS  20   6.545   0.295  -8.292
  577    HE3  LYS  20           HE1      LYS  20   7.533   0.594  -6.864
  578    HZ1  LYS  20           HZ1      LYS  20   7.863  -1.691  -8.734
  579    HZ2  LYS  20           HZ2      LYS  20   8.825  -1.375  -7.380
  580    HZ3  LYS  20           HZ3      LYS  20   8.838  -0.308  -8.692
  581    H    LEU  21           HN       LEU  21   3.405  -3.391  -3.961
  582    HA   LEU  21           HA       LEU  21   5.158  -1.752  -2.453
  583    HB2  LEU  21           HB2      LEU  21   2.994  -1.191  -1.988
  584    HB3  LEU  21           HB1      LEU  21   2.421  -2.840  -2.123
  585    HG   LEU  21           HG       LEU  21   3.240  -3.343   0.118
  586   HD11  LEU  21          HD11      LEU  21   4.757  -0.943  -0.266
  587   HD12  LEU  21          HD12      LEU  21   4.903  -2.171   0.989
  588   HD13  LEU  21          HD13      LEU  21   3.788  -0.822   1.202
  589   HD21  LEU  21          HD21      LEU  21   1.579  -0.838  -0.049
  590   HD22  LEU  21          HD22      LEU  21   1.743  -1.843   1.390
  591   HD23  LEU  21          HD23      LEU  21   0.992  -2.501  -0.065
  592    H    LYS  22           HN       LYS  22   4.252  -5.152  -2.244
  593    HA   LYS  22           HA       LYS  22   5.369  -5.798   0.201
  594    HB2  LYS  22           HB2      LYS  22   4.094  -7.469  -0.851
  595    HB3  LYS  22           HB1      LYS  22   4.975  -7.319  -2.363
  596    HG2  LYS  22           HG2      LYS  22   6.627  -8.174  -0.108
  597    HG3  LYS  22           HG1      LYS  22   5.325  -9.291  -0.522
  598    HD2  LYS  22           HD2      LYS  22   6.136  -9.000  -2.950
  599    HD3  LYS  22           HD1      LYS  22   7.603  -8.338  -2.226
  600    HE2  LYS  22           HE2      LYS  22   6.435 -11.052  -1.617
  601    HE3  LYS  22           HE1      LYS  22   7.777 -10.751  -2.720
  602    HZ1  LYS  22           HZ1      LYS  22   9.066  -9.883  -0.887
  603    HZ2  LYS  22           HZ2      LYS  22   8.529 -11.444  -0.518
  604    HZ3  LYS  22           HZ3      LYS  22   7.770 -10.102   0.178
  605    H    GLU  23           HN       GLU  23   6.832  -5.499  -2.990
  606    HA   GLU  23           HA       GLU  23   9.442  -6.296  -2.212
  607    HB2  GLU  23           HB2      GLU  23   8.461  -4.598  -4.516
  608    HB3  GLU  23           HB1      GLU  23  10.138  -5.086  -4.314
  609    HG2  GLU  23           HG2      GLU  23   9.609  -7.368  -4.625
  610    HG3  GLU  23           HG1      GLU  23   7.883  -7.058  -4.488
  611    H    SER  24           HN       SER  24   7.910  -3.081  -2.470
  612    HA   SER  24           HA       SER  24  10.186  -1.662  -1.744
  613    HB2  SER  24           HB2      SER  24   8.702   0.207  -1.224
  614    HB3  SER  24           HB1      SER  24   8.160  -0.604  -2.688
  615    HG   SER  24           HG       SER  24   6.516  -0.069  -1.042
  616    H    LEU  25           HN       LEU  25   7.584  -2.929   0.351
  617    HA   LEU  25           HA       LEU  25   8.611  -1.936   2.799
  618    HB2  LEU  25           HB2      LEU  25   6.598  -3.938   1.960
  619    HB3  LEU  25           HB1      LEU  25   7.260  -4.125   3.572
  620    HG   LEU  25           HG       LEU  25   6.022  -1.553   2.598
  621   HD11  LEU  25          HD11      LEU  25   4.748  -3.804   4.147
  622   HD12  LEU  25          HD12      LEU  25   4.335  -3.291   2.511
  623   HD13  LEU  25          HD13      LEU  25   4.033  -2.215   3.876
  624   HD21  LEU  25          HD21      LEU  25   7.531  -1.323   4.496
  625   HD22  LEU  25          HD22      LEU  25   6.661  -2.596   5.355
  626   HD23  LEU  25          HD23      LEU  25   5.857  -1.070   4.993
  627    H    GLU  26           HN       GLU  26   9.026  -5.061   1.168
  628    HA   GLU  26           HA       GLU  26  10.614  -6.213   3.215
  629    HB2  GLU  26           HB2      GLU  26  10.350  -6.895   0.287
  630    HB3  GLU  26           HB1      GLU  26  11.279  -7.852   1.432
  631    HG2  GLU  26           HG2      GLU  26   8.318  -7.447   1.292
  632    HG3  GLU  26           HG1      GLU  26   9.235  -8.950   1.270
  633    H    LEU  27           HN       LEU  27  11.425  -4.549   0.197
  634    HA   LEU  27           HA       LEU  27  14.247  -4.847   0.391
  635    HB2  LEU  27           HB2      LEU  27  12.429  -3.020  -1.136
  636    HB3  LEU  27           HB1      LEU  27  14.166  -2.779  -1.151
  637    HG   LEU  27           HG       LEU  27  12.890  -5.395  -1.935
  638   HD11  LEU  27          HD11      LEU  27  13.753  -3.168  -3.769
  639   HD12  LEU  27          HD12      LEU  27  12.078  -3.573  -3.389
  640   HD13  LEU  27          HD13      LEU  27  13.095  -4.735  -4.239
  641   HD21  LEU  27          HD21      LEU  27  15.614  -4.199  -2.422
  642   HD22  LEU  27          HD22      LEU  27  15.043  -5.737  -3.071
  643   HD23  LEU  27          HD23      LEU  27  15.231  -5.530  -1.330
  644    H    MET  28           HN       MET  28  12.036  -2.411   1.737
  645    HA   MET  28           HA       MET  28  13.965  -0.565   2.314
  646    HB2  MET  28           HB2      MET  28  11.492  -0.259   2.687
  647    HB3  MET  28           HB1      MET  28  11.645  -1.208   4.160
  648    HG2  MET  28           HG2      MET  28  13.460   0.566   4.759
  649    HG3  MET  28           HG1      MET  28  12.615   1.534   3.562
  650    HE1  MET  28           HE1      MET  28  10.641   2.818   3.904
  651    HE2  MET  28           HE2      MET  28   9.406   2.585   5.142
  652    HE3  MET  28           HE3      MET  28   9.595   1.401   3.852
  653    H    GLU  29           HN       GLU  29  13.852  -3.722   3.543
  654    HA   GLU  29           HA       GLU  29  15.252  -3.074   6.011
  655    HB2  GLU  29           HB2      GLU  29  14.824  -5.221   6.683
  656    HB3  GLU  29           HB1      GLU  29  13.460  -4.940   5.611
  657    HG2  GLU  29           HG2      GLU  29  14.732  -6.081   3.802
  658    HG3  GLU  29           HG1      GLU  29  15.974  -6.471   4.989
  659    H    LEU  30           HN       LEU  30  15.972  -4.049   2.752
  660    HA   LEU  30           HA       LEU  30  18.597  -5.066   3.482
  661    HB2  LEU  30           HB2      LEU  30  18.545  -6.207   1.567
  662    HB3  LEU  30           HB1      LEU  30  16.847  -5.791   1.537
  663    HG   LEU  30           HG       LEU  30  19.014  -4.264   0.105
  664   HD11  LEU  30          HD11      LEU  30  18.149  -5.278  -1.924
  665   HD12  LEU  30          HD12      LEU  30  16.965  -6.189  -0.981
  666   HD13  LEU  30          HD13      LEU  30  18.686  -6.526  -0.798
  667   HD21  LEU  30          HD21      LEU  30  17.211  -2.790   0.565
  668   HD22  LEU  30          HD22      LEU  30  16.024  -4.014   0.118
  669   HD23  LEU  30          HD23      LEU  30  17.051  -3.295  -1.116
  670    H    VAL  31           HN       VAL  31  17.391  -2.123   3.257
  671    HA   VAL  31           HA       VAL  31  19.710  -0.983   1.864
  672    HB   VAL  31           HB       VAL  31  17.750   0.052   1.056
  673   HG11  VAL  31          HG11      VAL  31  16.043   1.054   2.516
  674   HG12  VAL  31          HG12      VAL  31  16.890   0.407   3.921
  675   HG13  VAL  31          HG13      VAL  31  16.182  -0.690   2.737
  676   HG21  VAL  31          HG21      VAL  31  19.340   1.734   1.335
  677   HG22  VAL  31          HG22      VAL  31  19.184   1.725   3.090
  678   HG23  VAL  31          HG23      VAL  31  17.898   2.399   2.098
  679    HA   PRO  32           HA       PRO  32  21.886  -0.564   5.717
  680    HB2  PRO  32           HB2      PRO  32  22.681   1.988   4.346
  681    HB3  PRO  32           HB1      PRO  32  23.685   0.847   5.250
  682    HG2  PRO  32           HG2      PRO  32  23.632   0.826   2.574
  683    HG3  PRO  32           HG1      PRO  32  23.765  -0.672   3.511
  684    HD2  PRO  32           HD2      PRO  32  21.485   0.370   1.951
  685    HD3  PRO  32           HD1      PRO  32  21.852  -1.298   2.435
  686    H    GLN  33           HN       GLN  33  21.100   0.172   7.585
  687    HA   GLN  33           HA       GLN  33  18.880   1.756   7.892
  688    HB2  GLN  33           HB2      GLN  33  19.756   0.283   9.639
  689    HB3  GLN  33           HB1      GLN  33  21.122   1.364   9.878
  690    HG2  GLN  33           HG2      GLN  33  19.591   3.134  10.592
  691    HG3  GLN  33           HG1      GLN  33  18.229   2.038  10.367
  692   HE21  GLN  33          HE21      GLN  33  21.325   1.030  11.630
  693   HE22  GLN  33          HE22      GLN  33  20.786   0.718  13.241
  694    HA   PRO  34           HA       PRO  34  21.824   5.552   8.955
  695    HB2  PRO  34           HB2      PRO  34  24.079   5.542   7.341
  696    HB3  PRO  34           HB1      PRO  34  24.047   5.109   9.052
  697    HG2  PRO  34           HG2      PRO  34  23.994   3.341   6.645
  698    HG3  PRO  34           HG1      PRO  34  24.851   3.120   8.183
  699    HD2  PRO  34           HD2      PRO  34  22.602   1.783   7.649
  700    HD3  PRO  34           HD1      PRO  34  22.940   2.388   9.283
  701    H    LEU  35           HN       LEU  35  21.582   4.043   5.779
  702    HA   LEU  35           HA       LEU  35  21.560   6.530   4.346
  703    HB2  LEU  35           HB2      LEU  35  22.446   4.473   3.351
  704    HB3  LEU  35           HB1      LEU  35  20.882   3.703   3.515
  705    HG   LEU  35           HG       LEU  35  19.939   5.266   1.894
  706   HD11  LEU  35          HD11      LEU  35  22.744   6.314   1.625
  707   HD12  LEU  35          HD12      LEU  35  21.374   7.186   2.313
  708   HD13  LEU  35          HD13      LEU  35  21.373   6.748   0.604
  709   HD21  LEU  35          HD21      LEU  35  21.155   4.433  -0.091
  710   HD22  LEU  35          HD22      LEU  35  20.773   3.168   1.077
  711   HD23  LEU  35          HD23      LEU  35  22.411   3.815   0.983
  712    H    VAL  36           HN       VAL  36  19.231   4.327   5.725
  713    HA   VAL  36           HA       VAL  36  16.931   5.493   4.433
  714    HB   VAL  36           HB       VAL  36  17.170   3.681   6.850
  715   HG11  VAL  36          HG11      VAL  36  14.684   4.724   5.497
  716   HG12  VAL  36          HG12      VAL  36  15.202   5.047   7.152
  717   HG13  VAL  36          HG13      VAL  36  14.714   3.419   6.682
  718   HG21  VAL  36          HG21      VAL  36  16.235   1.987   5.379
  719   HG22  VAL  36          HG22      VAL  36  17.707   2.663   4.681
  720   HG23  VAL  36          HG23      VAL  36  16.130   3.161   4.066
  721    H    ASP  37           HN       ASP  37  18.608   5.939   7.507
  722    HA   ASP  37           HA       ASP  37  16.774   7.692   8.695
  723    HB2  ASP  37           HB2      ASP  37  18.679   6.725   9.920
  724    HB3  ASP  37           HB1      ASP  37  19.796   7.663   8.933
  725    H    SER  38           HN       SER  38  19.517   8.287   6.484
  726    HA   SER  38           HA       SER  38  19.346  11.067   6.430
  727    HB2  SER  38           HB2      SER  38  21.226   9.868   5.442
  728    HB3  SER  38           HB1      SER  38  20.167   9.166   4.219
  729    HG   SER  38           HG       SER  38  19.975  11.109   3.251
  730    H    TYR  39           HN       TYR  39  17.667   8.659   4.416
  731    HA   TYR  39           HA       TYR  39  16.319  10.472   2.754
  732    HB2  TYR  39           HB2      TYR  39  16.179   8.298   1.972
  733    HB3  TYR  39           HB1      TYR  39  15.859   7.632   3.571
  734    HD1  TYR  39           HD1      TYR  39  14.330   9.560   0.796
  735    HD2  TYR  39           HD2      TYR  39  13.647   7.254   4.303
  736    HE1  TYR  39           HE1      TYR  39  11.926   9.525   0.300
  737    HE2  TYR  39           HE2      TYR  39  11.253   7.210   3.820
  738    HH   TYR  39           HH       TYR  39   9.954   8.195   0.820
  739    H    ARG  40           HN       ARG  40  15.370   8.986   5.825
  740    HA   ARG  40           HA       ARG  40  12.789   9.993   6.018
  741    HB2  ARG  40           HB2      ARG  40  14.830   9.326   8.137
  742    HB3  ARG  40           HB1      ARG  40  13.184   9.811   8.529
  743    HG2  ARG  40           HG2      ARG  40  12.350   7.899   7.205
  744    HG3  ARG  40           HG1      ARG  40  14.020   7.396   6.940
  745    HD2  ARG  40           HD2      ARG  40  14.323   7.208   9.378
  746    HD3  ARG  40           HD1      ARG  40  12.631   7.651   9.605
  747    HE   ARG  40           HE       ARG  40  12.877   5.411   7.879
  748   HH11  ARG  40          HH11      ARG  40  13.031   6.349  11.232
  749   HH12  ARG  40          HH12      ARG  40  12.581   4.784  11.823
  750   HH21  ARG  40          HH21      ARG  40  12.286   3.350   8.648
  751   HH22  ARG  40          HH22      ARG  40  12.158   3.079  10.354
  752    H    GLN  41           HN       GLN  41  15.871  11.514   6.692
  753    HA   GLN  41           HA       GLN  41  14.864  13.852   7.959
  754    HB2  GLN  41           HB2      GLN  41  17.245  13.169   8.040
  755    HB3  GLN  41           HB1      GLN  41  17.387  13.509   6.321
  756    HG2  GLN  41           HG2      GLN  41  16.911  15.855   6.725
  757    HG3  GLN  41           HG1      GLN  41  16.706  15.529   8.446
  758   HE21  GLN  41          HE21      GLN  41  18.977  15.789   5.824
  759   HE22  GLN  41          HE22      GLN  41  20.402  15.866   6.798
  760    H    GLN  42           HN       GLN  42  15.651  13.089   4.581
  761    HA   GLN  42           HA       GLN  42  14.973  15.614   3.523
  762    HB2  GLN  42           HB2      GLN  42  16.298  13.922   2.298
  763    HB3  GLN  42           HB1      GLN  42  14.866  12.910   2.169
  764    HG2  GLN  42           HG2      GLN  42  15.070  13.985   0.099
  765    HG3  GLN  42           HG1      GLN  42  13.778  14.833   0.946
  766   HE21  GLN  42          HE21      GLN  42  15.488  15.729  -1.240
  767   HE22  GLN  42          HE22      GLN  42  16.276  17.160  -0.677
  768    H    GLN  43           HN       GLN  43  13.102  12.885   4.511
  769    HA   GLN  43           HA       GLN  43  10.697  13.636   3.140
  770    HB2  GLN  43           HB2      GLN  43  11.055  11.308   3.645
  771    HB3  GLN  43           HB1      GLN  43  11.260  11.659   5.354
  772    HG2  GLN  43           HG2      GLN  43   8.690  12.393   4.060
  773    HG3  GLN  43           HG1      GLN  43   9.012  10.693   4.399
  774   HE21  GLN  43          HE21      GLN  43   9.230  10.016   6.542
  775   HE22  GLN  43          HE22      GLN  43   8.652  10.969   7.862
  776    H    GLN  44           HN       GLN  44  11.926  13.886   6.454
  777    HA   GLN  44           HA       GLN  44   9.636  15.020   7.610
  778    HB2  GLN  44           HB2      GLN  44  12.553  15.210   8.354
  779    HB3  GLN  44           HB1      GLN  44  11.272  15.916   9.330
  780    HG2  GLN  44           HG2      GLN  44  11.516  13.002   8.625
  781    HG3  GLN  44           HG1      GLN  44  11.991  13.727  10.160
  782   HE21  GLN  44          HE21      GLN  44  10.016  11.648   9.598
  783   HE22  GLN  44          HE22      GLN  44   8.516  12.232  10.225
  784    H    LEU  45           HN       LEU  45  12.073  16.325   5.558
  785    HA   LEU  45           HA       LEU  45  11.974  19.039   6.151
  786    HB2  LEU  45           HB2      LEU  45  13.590  18.547   4.596
  787    HB3  LEU  45           HB1      LEU  45  12.569  17.415   3.733
  788    HG   LEU  45           HG       LEU  45  11.272  19.544   2.978
  789   HD11  LEU  45          HD11      LEU  45  12.366  21.127   4.439
  790   HD12  LEU  45          HD12      LEU  45  12.730  21.513   2.757
  791   HD13  LEU  45          HD13      LEU  45  13.938  20.709   3.759
  792   HD21  LEU  45          HD21      LEU  45  12.925  19.836   1.102
  793   HD22  LEU  45          HD22      LEU  45  12.376  18.185   1.391
  794   HD23  LEU  45          HD23      LEU  45  13.969  18.697   1.954
  795    H    LEU  46           HN       LEU  46   9.980  17.174   3.888
  796    HA   LEU  46           HA       LEU  46   7.830  19.130   4.224
  797    HB2  LEU  46           HB2      LEU  46   8.898  19.826   2.201
  798    HB3  LEU  46           HB1      LEU  46   8.973  18.181   1.605
  799    HG   LEU  46           HG       LEU  46   6.511  18.158   1.397
  800   HD11  LEU  46          HD11      LEU  46   5.995  19.772   3.149
  801   HD12  LEU  46          HD12      LEU  46   5.258  20.228   1.613
  802   HD13  LEU  46          HD13      LEU  46   6.707  21.059   2.176
  803   HD21  LEU  46          HD21      LEU  46   7.870  20.455  -0.007
  804   HD22  LEU  46          HD22      LEU  46   6.374  19.673  -0.518
  805   HD23  LEU  46          HD23      LEU  46   7.887  18.767  -0.519
  806    H    GLN  47           HN       GLN  47   6.794  17.583   5.514
  807    HA   GLN  47           HA       GLN  47   6.118  15.003   4.353
  808    HB2  GLN  47           HB2      GLN  47   6.710  15.634   6.870
  809    HB3  GLN  47           HB1      GLN  47   4.980  15.934   6.949
  810    HG2  GLN  47           HG2      GLN  47   6.106  13.350   5.926
  811    HG3  GLN  47           HG1      GLN  47   5.803  13.636   7.639
  812   HE21  GLN  47          HE21      GLN  47   4.377  13.163   4.511
  813   HE22  GLN  47          HE22      GLN  47   2.760  12.904   5.061
  814    H    ARG  48           HN       ARG  48   5.076  16.978   2.818
  815    HA   ARG  48           HA       ARG  48   2.198  16.687   3.312
  816    HB2  ARG  48           HB2      ARG  48   3.585  19.248   2.501
  817    HB3  ARG  48           HB1      ARG  48   1.843  19.011   2.497
  818    HG2  ARG  48           HG2      ARG  48   1.865  18.666   4.897
  819    HG3  ARG  48           HG1      ARG  48   3.620  18.847   4.918
  820    HD2  ARG  48           HD2      ARG  48   3.407  21.136   4.115
  821    HD3  ARG  48           HD1      ARG  48   1.655  20.958   4.034
  822    HE   ARG  48           HE       ARG  48   2.657  20.411   6.644
  823   HH11  ARG  48          HH11      ARG  48   1.831  22.993   4.454
  824   HH12  ARG  48          HH12      ARG  48   1.501  24.131   5.717
  825   HH21  ARG  48          HH21      ARG  48   2.225  21.904   8.313
  826   HH22  ARG  48          HH22      ARG  48   1.726  23.513   7.910
  827    H    ASP   1           HT1      ASP   1  -5.733  14.228  16.684
  828    HA   ASP   1           HA       ASP   1  -6.780  15.352  14.845
  829    HB2  ASP   1           HB2      ASP   1  -4.968  17.006  14.488
  830    HB3  ASP   1           HB1      ASP   1  -3.954  15.728  13.826
  831    H    GLU   2           HN       GLU   2  -7.244  14.239  12.871
  832    HA   GLU   2           HA       GLU   2  -5.687  12.010  12.004
  833    HB2  GLU   2           HB2      GLU   2  -7.288  10.240  12.600
  834    HB3  GLU   2           HB1      GLU   2  -6.596  10.998  14.027
  835    HG2  GLU   2           HG2      GLU   2  -8.629  12.343  14.285
  836    HG3  GLU   2           HG1      GLU   2  -9.322  11.542  12.875
  837    H    ASP   3           HN       ASP   3  -7.280  14.429  11.104
  838    HA   ASP   3           HA       ASP   3  -9.348  13.313   9.429
  839    HB2  ASP   3           HB2      ASP   3  -8.138  16.087   9.398
  840    HB3  ASP   3           HB1      ASP   3  -9.622  15.591   8.593
  841    H    THR   4           HN       THR   4  -8.557  15.216   7.176
  842    HA   THR   4           HA       THR   4  -7.081  13.273   5.697
  843    HB   THR   4           HB       THR   4  -7.237  15.951   4.522
  844    HG1  THR   4           HG1      THR   4  -9.630  15.260   4.126
  845   HG21  THR   4          HG21      THR   4  -8.102  13.204   3.614
  846   HG22  THR   4          HG22      THR   4  -6.582  14.006   3.210
  847   HG23  THR   4          HG23      THR   4  -8.108  14.655   2.605
  848    H    TYR   5           HN       TYR   5  -5.085  13.362   4.886
  849    HA   TYR   5           HA       TYR   5  -3.207  15.223   6.184
  850    HB2  TYR   5           HB2      TYR   5  -3.058  12.261   5.819
  851    HB3  TYR   5           HB1      TYR   5  -1.633  13.248   6.128
  852    HD1  TYR   5           HD2      TYR   5  -1.585  14.660   8.234
  853    HD2  TYR   5           HD1      TYR   5  -4.456  11.591   7.582
  854    HE1  TYR   5           HE2      TYR   5  -2.038  14.581  10.648
  855    HE2  TYR   5           HE1      TYR   5  -4.917  11.501   9.996
  856    HH   TYR   5           HH       TYR   5  -3.848  13.892  12.156
  857    H    TYR   6           HN       TYR   6  -1.118  15.416   4.866
  858    HA   TYR   6           HA       TYR   6  -1.606  14.721   2.053
  859    HB2  TYR   6           HB2      TYR   6   0.336  16.847   2.993
  860    HB3  TYR   6           HB1      TYR   6  -0.319  16.621   1.378
  861    HD1  TYR   6           HD2      TYR   6  -3.219  16.251   2.163
  862    HD2  TYR   6           HD1      TYR   6  -0.305  19.094   3.386
  863    HE1  TYR   6           HE2      TYR   6  -5.009  17.858   2.643
  864    HE2  TYR   6           HE1      TYR   6  -2.087  20.717   3.877
  865    HH   TYR   6           HH       TYR   6  -5.364  19.856   4.042
  866    H    LEU   7           HN       LEU   7  -0.329  13.381   1.064
  867    HA   LEU   7           HA       LEU   7   2.095  12.414   2.451
  868    HB2  LEU   7           HB2      LEU   7  -0.206  11.124   1.625
  869    HB3  LEU   7           HB1      LEU   7   0.911  10.802   0.328
  870    HG   LEU   7           HG       LEU   7   2.071   9.298   1.526
  871   HD11  LEU   7          HD11      LEU   7   1.911  11.246   3.680
  872   HD12  LEU   7          HD12      LEU   7   3.208  10.138   3.241
  873   HD13  LEU   7          HD13      LEU   7   1.853   9.569   4.221
  874   HD21  LEU   7          HD21      LEU   7   0.626   7.993   2.904
  875   HD22  LEU   7          HD22      LEU   7  -0.324   8.707   1.597
  876   HD23  LEU   7          HD23      LEU   7  -0.401   9.393   3.220
  877    H    GLN   8           HN       GLN   8   3.828  13.475   1.463
  878    HA   GLN   8           HA       GLN   8   3.737  13.933  -1.334
  879    HB2  GLN   8           HB2      GLN   8   5.102  15.064   0.732
  880    HB3  GLN   8           HB1      GLN   8   6.361  14.122  -0.056
  881    HG2  GLN   8           HG2      GLN   8   5.444  15.230  -2.218
  882    HG3  GLN   8           HG1      GLN   8   4.780  16.414  -1.097
  883   HE21  GLN   8          HE21      GLN   8   7.144  15.963   0.719
  884   HE22  GLN   8          HE22      GLN   8   8.417  16.872  -0.007
  885    H    VAL   9           HN       VAL   9   4.110  12.510  -2.835
  886    HA   VAL   9           HA       VAL   9   5.969  10.352  -2.210
  887    HB   VAL   9           HB       VAL   9   3.335  10.216  -3.656
  888   HG11  VAL   9          HG11      VAL   9   5.540   8.171  -3.734
  889   HG12  VAL   9          HG12      VAL   9   4.850   9.055  -5.097
  890   HG13  VAL   9          HG13      VAL   9   3.874   7.872  -4.228
  891   HG21  VAL   9          HG21      VAL   9   3.395   9.926  -1.208
  892   HG22  VAL   9          HG22      VAL   9   4.470   8.544  -1.423
  893   HG23  VAL   9          HG23      VAL   9   2.825   8.491  -2.057
  894    H    ARG  10           HN       ARG  10   7.617  10.045  -3.624
  895    HA   ARG  10           HA       ARG  10   7.632  11.809  -5.969
  896    HB2  ARG  10           HB2      ARG  10   9.479  11.876  -4.165
  897    HB3  ARG  10           HB1      ARG  10  10.039  10.370  -4.875
  898    HG2  ARG  10           HG2      ARG  10   9.611  12.761  -6.608
  899    HG3  ARG  10           HG1      ARG  10  11.072  12.623  -5.630
  900    HD2  ARG  10           HD2      ARG  10  11.542  10.447  -6.675
  901    HD3  ARG  10           HD1      ARG  10  10.103  10.628  -7.675
  902    HE   ARG  10           HE       ARG  10  11.759  12.868  -8.031
  903   HH11  ARG  10          HH11      ARG  10  11.651   9.463  -8.760
  904   HH12  ARG  10          HH12      ARG  10  12.623   9.606 -10.187
  905   HH21  ARG  10          HH21      ARG  10  13.038  13.066  -9.908
  906   HH22  ARG  10          HH22      ARG  10  13.412  11.654 -10.839
  907    H    GLY  11           HN       GLY  11   7.887  11.095  -7.992
  908    HA2  GLY  11           HA2      GLY  11   8.361   9.500  -9.674
  909    HA3  GLY  11           HA1      GLY  11   8.427   8.250  -8.438
  910    H    ARG  12           HN       ARG  12   6.750   9.156 -11.030
  911    HA   ARG  12           HA       ARG  12   4.066   9.158 -10.370
  912    HB2  ARG  12           HB2      ARG  12   5.277   9.410 -12.675
  913    HB3  ARG  12           HB1      ARG  12   5.007   7.677 -12.798
  914    HG2  ARG  12           HG2      ARG  12   3.210   8.722 -13.907
  915    HG3  ARG  12           HG1      ARG  12   2.573   8.137 -12.369
  916    HD2  ARG  12           HD2      ARG  12   2.852  10.393 -11.426
  917    HD3  ARG  12           HD1      ARG  12   3.425  10.961 -12.994
  918    HE   ARG  12           HE       ARG  12   0.732   9.812 -12.691
  919   HH11  ARG  12          HH11      ARG  12   2.849  12.415 -13.635
  920   HH12  ARG  12          HH12      ARG  12   1.585  13.353 -14.357
  921   HH21  ARG  12          HH21      ARG  12  -0.938  11.042 -13.639
  922   HH22  ARG  12          HH22      ARG  12  -0.567  12.573 -14.359
  923    H    GLU  13           HN       GLU  13   6.048   6.242 -11.026
  924    HA   GLU  13           HA       GLU  13   4.014   4.400 -10.832
  925    HB2  GLU  13           HB2      GLU  13   6.407   3.975 -11.494
  926    HB3  GLU  13           HB1      GLU  13   6.808   3.957  -9.781
  927    HG2  GLU  13           HG2      GLU  13   6.570   1.713 -10.407
  928    HG3  GLU  13           HG1      GLU  13   5.098   2.128  -9.529
  929    H    ASN  14           HN       ASN  14   5.997   5.725  -8.203
  930    HA   ASN  14           HA       ASN  14   4.889   4.173  -6.106
  931    HB2  ASN  14           HB2      ASN  14   6.162   6.918  -5.979
  932    HB3  ASN  14           HB1      ASN  14   5.942   5.809  -4.630
  933   HD21  ASN  14          HD21      ASN  14   8.226   5.989  -4.318
  934   HD22  ASN  14          HD22      ASN  14   9.309   5.049  -5.281
  935    H    PHE  15           HN       PHE  15   4.194   7.426  -7.328
  936    HA   PHE  15           HA       PHE  15   2.239   8.172  -5.497
  937    HB2  PHE  15           HB2      PHE  15   3.339   9.678  -7.132
  938    HB3  PHE  15           HB1      PHE  15   2.394   8.933  -8.417
  939    HD1  PHE  15           HD2      PHE  15   1.323   9.929  -4.989
  940    HD2  PHE  15           HD1      PHE  15   1.024  10.632  -9.184
  941    HE1  PHE  15           HE2      PHE  15  -0.478  11.532  -4.584
  942    HE2  PHE  15           HE1      PHE  15  -0.805  12.237  -8.772
  943    HZ   PHE  15           HZ       PHE  15  -1.552  12.682  -6.463
  944    H    GLU  16           HN       GLU  16   1.867   6.518  -8.618
  945    HA   GLU  16           HA       GLU  16  -0.961   6.354  -8.613
  946    HB2  GLU  16           HB2      GLU  16   1.122   4.613  -9.938
  947    HB3  GLU  16           HB1      GLU  16  -0.604   4.514 -10.257
  948    HG2  GLU  16           HG2      GLU  16  -0.580   6.841 -11.034
  949    HG3  GLU  16           HG1      GLU  16   1.159   6.903 -10.752
  950    H    ILE  17           HN       ILE  17   1.474   4.014  -7.418
  951    HA   ILE  17           HA       ILE  17  -0.437   2.047  -6.760
  952    HB   ILE  17           HB       ILE  17   2.397   2.512  -6.155
  953   HG12  ILE  17          HG12      ILE  17   0.986  -0.108  -6.540
  954   HG13  ILE  17          HG11      ILE  17   1.242   0.978  -7.900
  955   HG21  ILE  17          HG21      ILE  17   1.561   2.256  -3.872
  956   HG22  ILE  17          HG22      ILE  17   2.503   0.847  -4.365
  957   HG23  ILE  17          HG23      ILE  17   0.739   0.764  -4.339
  958   HD11  ILE  17          HD11      ILE  17   2.954  -0.761  -7.725
  959   HD12  ILE  17          HD12      ILE  17   3.406  -0.140  -6.136
  960   HD13  ILE  17          HD13      ILE  17   3.632   0.862  -7.571
  961    H    LEU  18           HN       LEU  18   0.907   4.753  -4.864
  962    HA   LEU  18           HA       LEU  18  -0.459   4.008  -2.454
  963    HB2  LEU  18           HB2      LEU  18   1.110   6.378  -3.393
  964    HB3  LEU  18           HB1      LEU  18   0.179   6.458  -1.910
  965    HG   LEU  18           HG       LEU  18   1.860   4.094  -1.984
  966   HD11  LEU  18          HD11      LEU  18   3.121   6.785  -2.392
  967   HD12  LEU  18          HD12      LEU  18   3.422   5.289  -3.270
  968   HD13  LEU  18          HD13      LEU  18   3.968   5.458  -1.602
  969   HD21  LEU  18          HD21      LEU  18   1.528   6.456  -0.147
  970   HD22  LEU  18          HD22      LEU  18   2.604   5.100   0.189
  971   HD23  LEU  18          HD23      LEU  18   0.867   4.832   0.049
  972    H    MET  19           HN       MET  19  -0.995   6.300  -5.101
  973    HA   MET  19           HA       MET  19  -3.200   7.624  -3.983
  974    HB2  MET  19           HB2      MET  19  -1.796   8.081  -6.205
  975    HB3  MET  19           HB1      MET  19  -3.099   7.169  -6.946
  976    HG2  MET  19           HG2      MET  19  -3.240   9.799  -5.517
  977    HG3  MET  19           HG1      MET  19  -3.652   9.428  -7.185
  978    HE1  MET  19           HE1      MET  19  -5.224  11.010  -4.792
  979    HE2  MET  19           HE2      MET  19  -6.903  10.530  -5.039
  980    HE3  MET  19           HE3      MET  19  -5.914  11.015  -6.416
  981    H    LYS  20           HN       LYS  20  -3.080   4.845  -6.169
  982    HA   LYS  20           HA       LYS  20  -5.814   4.322  -6.351
  983    HB2  LYS  20           HB2      LYS  20  -3.701   3.235  -7.490
  984    HB3  LYS  20           HB1      LYS  20  -3.856   2.085  -6.171
  985    HG2  LYS  20           HG2      LYS  20  -6.169   2.765  -7.954
  986    HG3  LYS  20           HG1      LYS  20  -4.995   1.517  -8.375
  987    HD2  LYS  20           HD2      LYS  20  -5.486   0.439  -6.166
  988    HD3  LYS  20           HD1      LYS  20  -6.797   1.602  -5.961
  989    HE2  LYS  20           HE2      LYS  20  -6.543  -0.295  -8.289
  990    HE3  LYS  20           HE1      LYS  20  -7.531  -0.596  -6.860
  991    HZ1  LYS  20           HZ1      LYS  20  -7.862   1.689  -8.729
  992    HZ2  LYS  20           HZ2      LYS  20  -8.825   1.373  -7.375
  993    HZ3  LYS  20           HZ3      LYS  20  -8.837   0.307  -8.689
  994    H    LEU  21           HN       LEU  21  -3.406   3.392  -3.957
  995    HA   LEU  21           HA       LEU  21  -5.159   1.752  -2.450
  996    HB2  LEU  21           HB2      LEU  21  -2.995   1.192  -1.984
  997    HB3  LEU  21           HB1      LEU  21  -2.423   2.841  -2.118
  998    HG   LEU  21           HG       LEU  21  -3.241   3.343   0.123
  999   HD11  LEU  21          HD11      LEU  21  -4.758   0.944  -0.260
 1000   HD12  LEU  21          HD12      LEU  21  -4.903   2.172   0.994
 1001   HD13  LEU  21          HD13      LEU  21  -3.789   0.823   1.208
 1002   HD21  LEU  21          HD21      LEU  21  -1.579   0.839  -0.045
 1003   HD22  LEU  21          HD22      LEU  21  -1.744   1.844   1.395
 1004   HD23  LEU  21          HD23      LEU  21  -0.993   2.502  -0.059
 1005    H    LYS  22           HN       LYS  22  -4.254   5.152  -2.240
 1006    HA   LYS  22           HA       LYS  22  -5.371   5.797   0.205
 1007    HB2  LYS  22           HB2      LYS  22  -4.098   7.470  -0.846
 1008    HB3  LYS  22           HB1      LYS  22  -4.977   7.319  -2.358
 1009    HG2  LYS  22           HG2      LYS  22  -6.631   8.172  -0.105
 1010    HG3  LYS  22           HG1      LYS  22  -5.329   9.291  -0.518
 1011    HD2  LYS  22           HD2      LYS  22  -6.140   8.998  -2.945
 1012    HD3  LYS  22           HD1      LYS  22  -7.607   8.336  -2.221
 1013    HE2  LYS  22           HE2      LYS  22  -6.439  11.051  -1.614
 1014    HE3  LYS  22           HE1      LYS  22  -7.781  10.749  -2.716
 1015    HZ1  LYS  22           HZ1      LYS  22  -9.070   9.881  -0.884
 1016    HZ2  LYS  22           HZ2      LYS  22  -8.534  11.442  -0.514
 1017    HZ3  LYS  22           HZ3      LYS  22  -7.774  10.100   0.182
 1018    H    GLU  23           HN       GLU  23  -6.834   5.499  -2.985
 1019    HA   GLU  23           HA       GLU  23  -9.445   6.294  -2.208
 1020    HB2  GLU  23           HB2      GLU  23  -8.462   4.597  -4.512
 1021    HB3  GLU  23           HB1      GLU  23 -10.139   5.084  -4.311
 1022    HG2  GLU  23           HG2      GLU  23  -9.610   7.367  -4.619
 1023    HG3  GLU  23           HG1      GLU  23  -7.885   7.056  -4.484
 1024    H    SER  24           HN       SER  24  -7.911   3.080  -2.467
 1025    HA   SER  24           HA       SER  24 -10.186   1.660  -1.741
 1026    HB2  SER  24           HB2      SER  24  -8.701  -0.208  -1.222
 1027    HB3  SER  24           HB1      SER  24  -8.159   0.604  -2.685
 1028    HG   SER  24           HG       SER  24  -6.516   0.070  -1.036
 1029    H    LEU  25           HN       LEU  25  -7.586   2.929   0.354
 1030    HA   LEU  25           HA       LEU  25  -8.613   1.935   2.802
 1031    HB2  LEU  25           HB2      LEU  25  -6.600   3.937   1.964
 1032    HB3  LEU  25           HB1      LEU  25  -7.262   4.123   3.576
 1033    HG   LEU  25           HG       LEU  25  -6.023   1.552   2.602
 1034   HD11  LEU  25          HD11      LEU  25  -4.751   3.804   4.151
 1035   HD12  LEU  25          HD12      LEU  25  -4.337   3.291   2.516
 1036   HD13  LEU  25          HD13      LEU  25  -4.035   2.216   3.880
 1037   HD21  LEU  25          HD21      LEU  25  -7.532   1.321   4.499
 1038   HD22  LEU  25          HD22      LEU  25  -6.664   2.594   5.358
 1039   HD23  LEU  25          HD23      LEU  25  -5.858   1.068   4.997
 1040    H    GLU  26           HN       GLU  26  -9.028   5.061   1.171
 1041    HA   GLU  26           HA       GLU  26 -10.617   6.211   3.219
 1042    HB2  GLU  26           HB2      GLU  26 -10.354   6.895   0.291
 1043    HB3  GLU  26           HB1      GLU  26 -11.282   7.850   1.437
 1044    HG2  GLU  26           HG2      GLU  26  -8.322   7.445   1.297
 1045    HG3  GLU  26           HG1      GLU  26  -9.238   8.949   1.275
 1046    H    LEU  27           HN       LEU  27 -11.427   4.547   0.199
 1047    HA   LEU  27           HA       LEU  27 -14.249   4.844   0.395
 1048    HB2  LEU  27           HB2      LEU  27 -12.431   3.017  -1.132
 1049    HB3  LEU  27           HB1      LEU  27 -14.168   2.775  -1.147
 1050    HG   LEU  27           HG       LEU  27 -12.894   5.392  -1.931
 1051   HD11  LEU  27          HD11      LEU  27 -13.755   3.165  -3.766
 1052   HD12  LEU  27          HD12      LEU  27 -12.081   3.570  -3.385
 1053   HD13  LEU  27          HD13      LEU  27 -13.097   4.733  -4.235
 1054   HD21  LEU  27          HD21      LEU  27 -15.617   4.196  -2.420
 1055   HD22  LEU  27          HD22      LEU  27 -15.046   5.733  -3.068
 1056   HD23  LEU  27          HD23      LEU  27 -15.235   5.526  -1.327
 1057    H    MET  28           HN       MET  28 -12.038   2.408   1.740
 1058    HA   MET  28           HA       MET  28 -13.966   0.561   2.317
 1059    HB2  MET  28           HB2      MET  28 -11.492   0.256   2.692
 1060    HB3  MET  28           HB1      MET  28 -11.647   1.205   4.164
 1061    HG2  MET  28           HG2      MET  28 -13.459  -0.568   4.764
 1062    HG3  MET  28           HG1      MET  28 -12.618  -1.537   3.566
 1063    HE1  MET  28           HE1      MET  28 -10.642  -2.821   3.904
 1064    HE2  MET  28           HE2      MET  28  -9.406  -2.589   5.141
 1065    HE3  MET  28           HE3      MET  28  -9.596  -1.404   3.852
 1066    H    GLU  29           HN       GLU  29 -13.853   3.718   3.546
 1067    HA   GLU  29           HA       GLU  29 -15.254   3.070   6.014
 1068    HB2  GLU  29           HB2      GLU  29 -14.827   5.217   6.686
 1069    HB3  GLU  29           HB1      GLU  29 -13.463   4.937   5.614
 1070    HG2  GLU  29           HG2      GLU  29 -14.735   6.077   3.805
 1071    HG3  GLU  29           HG1      GLU  29 -15.977   6.467   4.992
 1072    H    LEU  30           HN       LEU  30 -15.975   4.045   2.754
 1073    HA   LEU  30           HA       LEU  30 -18.599   5.061   3.485
 1074    HB2  LEU  30           HB2      LEU  30 -18.548   6.201   1.569
 1075    HB3  LEU  30           HB1      LEU  30 -16.850   5.786   1.539
 1076    HG   LEU  30           HG       LEU  30 -19.016   4.257   0.108
 1077   HD11  LEU  30          HD11      LEU  30 -18.151   5.273  -1.920
 1078   HD12  LEU  30          HD12      LEU  30 -16.968   6.183  -0.977
 1079   HD13  LEU  30          HD13      LEU  30 -18.689   6.519  -0.793
 1080   HD21  LEU  30          HD21      LEU  30 -17.212   2.784   0.568
 1081   HD22  LEU  30          HD22      LEU  30 -16.026   4.009   0.120
 1082   HD23  LEU  30          HD23      LEU  30 -17.054   3.290  -1.113
 1083    H    VAL  31           HN       VAL  31 -17.394   2.119   3.262
 1084    HA   VAL  31           HA       VAL  31 -19.711   0.977   1.867
 1085    HB   VAL  31           HB       VAL  31 -17.750  -0.057   1.059
 1086   HG11  VAL  31          HG11      VAL  31 -16.043  -1.060   2.518
 1087   HG12  VAL  31          HG12      VAL  31 -16.890  -0.413   3.924
 1088   HG13  VAL  31          HG13      VAL  31 -16.181   0.684   2.739
 1089   HG21  VAL  31          HG21      VAL  31 -19.339  -1.739   1.336
 1090   HG22  VAL  31          HG22      VAL  31 -19.185  -1.730   3.092
 1091   HG23  VAL  31          HG23      VAL  31 -17.897  -2.404   2.101
 1092    HA   PRO  32           HA       PRO  32 -21.886   0.558   5.719
 1093    HB2  PRO  32           HB2      PRO  32 -22.681  -1.994   4.348
 1094    HB3  PRO  32           HB1      PRO  32 -23.685  -0.853   5.252
 1095    HG2  PRO  32           HG2      PRO  32 -23.631  -0.834   2.576
 1096    HG3  PRO  32           HG1      PRO  32 -23.766   0.665   3.511
 1097    HD2  PRO  32           HD2      PRO  32 -21.485  -0.376   1.952
 1098    HD3  PRO  32           HD1      PRO  32 -21.853   1.292   2.437
 1099    H    GLN  33           HN       GLN  33 -21.100  -0.178   7.587
 1100    HA   GLN  33           HA       GLN  33 -18.879  -1.763   7.895
 1101    HB2  GLN  33           HB2      GLN  33 -19.757  -0.290   9.642
 1102    HB3  GLN  33           HB1      GLN  33 -21.122  -1.372   9.880
 1103    HG2  GLN  33           HG2      GLN  33 -19.592  -3.140  10.596
 1104    HG3  GLN  33           HG1      GLN  33 -18.229  -2.045  10.370
 1105   HE21  GLN  33          HE21      GLN  33 -21.325  -1.036  11.632
 1106   HE22  GLN  33          HE22      GLN  33 -20.787  -0.723  13.243
 1107    HA   PRO  34           HA       PRO  34 -21.823  -5.558   8.958
 1108    HB2  PRO  34           HB2      PRO  34 -24.077  -5.550   7.344
 1109    HB3  PRO  34           HB1      PRO  34 -24.046  -5.116   9.055
 1110    HG2  PRO  34           HG2      PRO  34 -23.993  -3.348   6.648
 1111    HG3  PRO  34           HG1      PRO  34 -24.851  -3.128   8.184
 1112    HD2  PRO  34           HD2      PRO  34 -22.602  -1.789   7.653
 1113    HD3  PRO  34           HD1      PRO  34 -22.941  -2.395   9.287
 1114    H    LEU  35           HN       LEU  35 -21.581  -4.049   5.781
 1115    HA   LEU  35           HA       LEU  35 -21.558  -6.536   4.348
 1116    HB2  LEU  35           HB2      LEU  35 -22.445  -4.479   3.353
 1117    HB3  LEU  35           HB1      LEU  35 -20.881  -3.709   3.518
 1118    HG   LEU  35           HG       LEU  35 -19.936  -5.271   1.898
 1119   HD11  LEU  35          HD11      LEU  35 -22.741  -6.322   1.625
 1120   HD12  LEU  35          HD12      LEU  35 -21.370  -7.193   2.314
 1121   HD13  LEU  35          HD13      LEU  35 -21.367  -6.754   0.605
 1122   HD21  LEU  35          HD21      LEU  35 -21.152  -4.441  -0.089
 1123   HD22  LEU  35          HD22      LEU  35 -20.770  -3.174   1.078
 1124   HD23  LEU  35          HD23      LEU  35 -22.408  -3.822   0.985
 1125    H    VAL  36           HN       VAL  36 -19.231  -4.332   5.728
 1126    HA   VAL  36           HA       VAL  36 -16.931  -5.498   4.437
 1127    HB   VAL  36           HB       VAL  36 -17.170  -3.686   6.854
 1128   HG11  VAL  36          HG11      VAL  36 -14.683  -4.729   5.501
 1129   HG12  VAL  36          HG12      VAL  36 -15.201  -5.052   7.155
 1130   HG13  VAL  36          HG13      VAL  36 -14.714  -3.424   6.687
 1131   HG21  VAL  36          HG21      VAL  36 -16.235  -1.992   5.383
 1132   HG22  VAL  36          HG22      VAL  36 -17.706  -2.669   4.684
 1133   HG23  VAL  36          HG23      VAL  36 -16.129  -3.166   4.070
 1134    H    ASP  37           HN       ASP  37 -18.606  -5.944   7.510
 1135    HA   ASP  37           HA       ASP  37 -16.772  -7.696   8.699
 1136    HB2  ASP  37           HB2      ASP  37 -18.679  -6.730   9.923
 1137    HB3  ASP  37           HB1      ASP  37 -19.794  -7.669   8.935
 1138    H    SER  38           HN       SER  38 -19.513  -8.292   6.486
 1139    HA   SER  38           HA       SER  38 -19.342 -11.072   6.433
 1140    HB2  SER  38           HB2      SER  38 -21.222  -9.873   5.445
 1141    HB3  SER  38           HB1      SER  38 -20.163  -9.172   4.222
 1142    HG   SER  38           HG       SER  38 -19.973 -11.113   3.253
 1143    H    TYR  39           HN       TYR  39 -17.664  -8.664   4.419
 1144    HA   TYR  39           HA       TYR  39 -16.316 -10.476   2.758
 1145    HB2  TYR  39           HB2      TYR  39 -16.177  -8.301   1.976
 1146    HB3  TYR  39           HB1      TYR  39 -15.856  -7.636   3.576
 1147    HD1  TYR  39           HD1      TYR  39 -14.327  -9.565   0.799
 1148    HD2  TYR  39           HD2      TYR  39 -13.645  -7.257   4.306
 1149    HE1  TYR  39           HE1      TYR  39 -11.924  -9.529   0.304
 1150    HE2  TYR  39           HE2      TYR  39 -11.252  -7.212   3.823
 1151    HH   TYR  39           HH       TYR  39  -9.953  -8.196   0.824
 1152    H    ARG  40           HN       ARG  40 -15.367  -8.991   5.827
 1153    HA   ARG  40           HA       ARG  40 -12.786  -9.997   6.022
 1154    HB2  ARG  40           HB2      ARG  40 -14.828  -9.331   8.142
 1155    HB3  ARG  40           HB1      ARG  40 -13.181  -9.814   8.534
 1156    HG2  ARG  40           HG2      ARG  40 -12.349  -7.902   7.208
 1157    HG3  ARG  40           HG1      ARG  40 -14.020  -7.399   6.944
 1158    HD2  ARG  40           HD2      ARG  40 -14.321  -7.212   9.381
 1159    HD3  ARG  40           HD1      ARG  40 -12.630  -7.654   9.609
 1160    HE   ARG  40           HE       ARG  40 -12.877  -5.415   7.882
 1161   HH11  ARG  40          HH11      ARG  40 -13.030  -6.353  11.235
 1162   HH12  ARG  40          HH12      ARG  40 -12.582  -4.788  11.826
 1163   HH21  ARG  40          HH21      ARG  40 -12.286  -3.352   8.652
 1164   HH22  ARG  40          HH22      ARG  40 -12.160  -3.082  10.358
 1165    H    GLN  41           HN       GLN  41 -15.867 -11.519   6.694
 1166    HA   GLN  41           HA       GLN  41 -14.860 -13.855   7.963
 1167    HB2  GLN  41           HB2      GLN  41 -17.241 -13.173   8.043
 1168    HB3  GLN  41           HB1      GLN  41 -17.381 -13.515   6.324
 1169    HG2  GLN  41           HG2      GLN  41 -16.905 -15.860   6.729
 1170    HG3  GLN  41           HG1      GLN  41 -16.700 -15.533   8.450
 1171   HE21  GLN  41          HE21      GLN  41 -18.971 -15.795   5.827
 1172   HE22  GLN  41          HE22      GLN  41 -20.396 -15.870   6.801
 1173    H    GLN  42           HN       GLN  42 -15.648 -13.094   4.585
 1174    HA   GLN  42           HA       GLN  42 -14.969 -15.619   3.527
 1175    HB2  GLN  42           HB2      GLN  42 -16.294 -13.928   2.301
 1176    HB3  GLN  42           HB1      GLN  42 -14.864 -12.914   2.173
 1177    HG2  GLN  42           HG2      GLN  42 -15.064 -13.989   0.103
 1178    HG3  GLN  42           HG1      GLN  42 -13.771 -14.835   0.950
 1179   HE21  GLN  42          HE21      GLN  42 -15.479 -15.733  -1.235
 1180   HE22  GLN  42          HE22      GLN  42 -16.266 -17.164  -0.673
 1181    H    GLN  43           HN       GLN  43 -13.098 -12.888   4.515
 1182    HA   GLN  43           HA       GLN  43 -10.692 -13.639   3.144
 1183    HB2  GLN  43           HB2      GLN  43 -11.051 -11.311   3.648
 1184    HB3  GLN  43           HB1      GLN  43 -11.257 -11.661   5.357
 1185    HG2  GLN  43           HG2      GLN  43  -8.684 -12.393   4.064
 1186    HG3  GLN  43           HG1      GLN  43  -9.008 -10.694   4.403
 1187   HE21  GLN  43          HE21      GLN  43  -9.228 -10.017   6.547
 1188   HE22  GLN  43          HE22      GLN  43  -8.647 -10.969   7.867
 1189    H    GLN  44           HN       GLN  44 -11.921 -13.887   6.458
 1190    HA   GLN  44           HA       GLN  44  -9.631 -15.022   7.615
 1191    HB2  GLN  44           HB2      GLN  44 -12.549 -15.213   8.358
 1192    HB3  GLN  44           HB1      GLN  44 -11.267 -15.918   9.334
 1193    HG2  GLN  44           HG2      GLN  44 -11.512 -13.004   8.630
 1194    HG3  GLN  44           HG1      GLN  44 -11.986 -13.729  10.164
 1195   HE21  GLN  44          HE21      GLN  44 -10.012 -11.650   9.603
 1196   HE22  GLN  44          HE22      GLN  44  -8.512 -12.234  10.230
 1197    H    LEU  45           HN       LEU  45 -12.068 -16.327   5.563
 1198    HA   LEU  45           HA       LEU  45 -11.967 -19.042   6.155
 1199    HB2  LEU  45           HB2      LEU  45 -13.582 -18.550   4.602
 1200    HB3  LEU  45           HB1      LEU  45 -12.562 -17.418   3.739
 1201    HG   LEU  45           HG       LEU  45 -11.264 -19.547   2.982
 1202   HD11  LEU  45          HD11      LEU  45 -12.358 -21.129   4.444
 1203   HD12  LEU  45          HD12      LEU  45 -12.722 -21.517   2.763
 1204   HD13  LEU  45          HD13      LEU  45 -13.931 -20.713   3.764
 1205   HD21  LEU  45          HD21      LEU  45 -12.918 -19.840   1.107
 1206   HD22  LEU  45          HD22      LEU  45 -12.369 -18.189   1.395
 1207   HD23  LEU  45          HD23      LEU  45 -13.962 -18.701   1.959
 1208    H    LEU  46           HN       LEU  46  -9.973 -17.175   3.893
 1209    HA   LEU  46           HA       LEU  46  -7.823 -19.131   4.229
 1210    HB2  LEU  46           HB2      LEU  46  -8.891 -19.827   2.205
 1211    HB3  LEU  46           HB1      LEU  46  -8.966 -18.182   1.609
 1212    HG   LEU  46           HG       LEU  46  -6.506 -18.158   1.402
 1213   HD11  LEU  46          HD11      LEU  46  -5.988 -19.771   3.153
 1214   HD12  LEU  46          HD12      LEU  46  -5.251 -20.227   1.618
 1215   HD13  LEU  46          HD13      LEU  46  -6.700 -21.059   2.182
 1216   HD21  LEU  46          HD21      LEU  46  -7.862 -20.456  -0.003
 1217   HD22  LEU  46          HD22      LEU  46  -6.366 -19.674  -0.512
 1218   HD23  LEU  46          HD23      LEU  46  -7.879 -18.768  -0.515
 1219    H    GLN  47           HN       GLN  47  -6.788 -17.584   5.519
 1220    HA   GLN  47           HA       GLN  47  -6.113 -15.004   4.358
 1221    HB2  GLN  47           HB2      GLN  47  -6.704 -15.635   6.874
 1222    HB3  GLN  47           HB1      GLN  47  -4.974 -15.934   6.953
 1223    HG2  GLN  47           HG2      GLN  47  -6.101 -13.351   5.931
 1224    HG3  GLN  47           HG1      GLN  47  -5.799 -13.638   7.644
 1225   HE21  GLN  47          HE21      GLN  47  -4.372 -13.163   4.516
 1226   HE22  GLN  47          HE22      GLN  47  -2.756 -12.902   5.067
 1227    H    ARG  48           HN       ARG  48  -5.070 -16.980   2.824
 1228    HA   ARG  48           HA       ARG  48  -2.192 -16.686   3.318
 1229    HB2  ARG  48           HB2      ARG  48  -3.579 -19.247   2.508
 1230    HB3  ARG  48           HB1      ARG  48  -1.837 -19.010   2.503
 1231    HG2  ARG  48           HG2      ARG  48  -1.858 -18.663   4.903
 1232    HG3  ARG  48           HG1      ARG  48  -3.613 -18.845   4.924
 1233    HD2  ARG  48           HD2      ARG  48  -3.400 -21.133   4.121
 1234    HD3  ARG  48           HD1      ARG  48  -1.648 -20.956   4.040
 1235    HE   ARG  48           HE       ARG  48  -2.651 -20.409   6.651
 1236   HH11  ARG  48          HH11      ARG  48  -1.822 -22.991   4.461
 1237   HH12  ARG  48          HH12      ARG  48  -1.492 -24.129   5.725
 1238   HH21  ARG  48          HH21      ARG  48  -2.220 -21.902   8.320
 1239   HH22  ARG  48          HH22      ARG  48  -1.718 -23.511   7.916
 1240    H    ASP   1           HT1      ASP   1   5.677  14.241 -16.688
 1241    HA   ASP   1           HA       ASP   1   6.718  15.371 -14.849
 1242    HB2  ASP   1           HB2      ASP   1   4.899  17.018 -14.494
 1243    HB3  ASP   1           HB1      ASP   1   3.889  15.736 -13.832
 1244    H    GLU   2           HN       GLU   2   7.185  14.261 -12.874
 1245    HA   GLU   2           HA       GLU   2   5.638  12.026 -12.008
 1246    HB2  GLU   2           HB2      GLU   2   7.248  10.263 -12.602
 1247    HB3  GLU   2           HB1      GLU   2   6.552  11.017 -14.029
 1248    HG2  GLU   2           HG2      GLU   2   8.580  12.371 -14.287
 1249    HG3  GLU   2           HG1      GLU   2   9.277  11.574 -12.877
 1250    H    ASP   3           HN       ASP   3   7.221  14.453 -11.108
 1251    HA   ASP   3           HA       ASP   3   9.293  13.348  -9.431
 1252    HB2  ASP   3           HB2      ASP   3   8.068  16.115  -9.404
 1253    HB3  ASP   3           HB1      ASP   3   9.555  15.629  -8.596
 1254    H    THR   4           HN       THR   4   8.491  15.249  -7.179
 1255    HA   THR   4           HA       THR   4   7.024  13.300  -5.700
 1256    HB   THR   4           HB       THR   4   7.167  15.979  -4.525
 1257    HG1  THR   4           HG1      THR   4   9.563  15.301  -4.129
 1258   HG21  THR   4          HG21      THR   4   8.046  13.235  -3.618
 1259   HG22  THR   4          HG22      THR   4   6.522  14.030  -3.213
 1260   HG23  THR   4          HG23      THR   4   8.044  14.685  -2.609
 1261    H    TYR   5           HN       TYR   5   5.026  13.379  -4.890
 1262    HA   TYR   5           HA       TYR   5   3.141  15.232  -6.190
 1263    HB2  TYR   5           HB2      TYR   5   3.005  12.268  -5.824
 1264    HB3  TYR   5           HB1      TYR   5   1.575  13.249  -6.134
 1265    HD1  TYR   5           HD2      TYR   5   1.522  14.658  -8.241
 1266    HD2  TYR   5           HD1      TYR   5   4.408  11.604  -7.587
 1267    HE1  TYR   5           HE2      TYR   5   1.977  14.580 -10.654
 1268    HE2  TYR   5           HE1      TYR   5   4.870  11.514 -10.001
 1269    HH   TYR   5           HH       TYR   5   3.792  13.901 -12.161
 1270    H    TYR   6           HN       TYR   6   1.049  15.416  -4.873
 1271    HA   TYR   6           HA       TYR   6   1.540  14.725  -2.060
 1272    HB2  TYR   6           HB2      TYR   6  -0.412  16.840  -3.002
 1273    HB3  TYR   6           HB1      TYR   6   0.243  16.618  -1.385
 1274    HD1  TYR   6           HD2      TYR   6   3.146  16.262  -2.170
 1275    HD2  TYR   6           HD1      TYR   6   0.218  19.091  -3.395
 1276    HE1  TYR   6           HE2      TYR   6   4.929  17.877  -2.650
 1277    HE2  TYR   6           HE1      TYR   6   1.993  20.721  -3.887
 1278    HH   TYR   6           HH       TYR   6   5.275  19.875  -4.049
 1279    H    LEU   7           HN       LEU   7   0.269  13.380  -1.069
 1280    HA   LEU   7           HA       LEU   7  -2.150  12.400  -2.456
 1281    HB2  LEU   7           HB2      LEU   7   0.157  11.122  -1.630
 1282    HB3  LEU   7           HB1      LEU   7  -0.958  10.796  -0.333
 1283    HG   LEU   7           HG       LEU   7  -2.111   9.285  -1.530
 1284   HD11  LEU   7          HD11      LEU   7  -1.963  11.233  -3.685
 1285   HD12  LEU   7          HD12      LEU   7  -3.253  10.117  -3.246
 1286   HD13  LEU   7          HD13      LEU   7  -1.895   9.556  -4.225
 1287   HD21  LEU   7          HD21      LEU   7  -0.660   7.986  -2.907
 1288   HD22  LEU   7          HD22      LEU   7   0.285   8.705  -1.599
 1289   HD23  LEU   7          HD23      LEU   7   0.360   9.390  -3.223
 1290    H    GLN   8           HN       GLN   8  -3.888  13.454  -1.469
 1291    HA   GLN   8           HA       GLN   8  -3.800  13.912   1.328
 1292    HB2  GLN   8           HB2      GLN   8  -5.171  15.035  -0.740
 1293    HB3  GLN   8           HB1      GLN   8  -6.425  14.088   0.050
 1294    HG2  GLN   8           HG2      GLN   8  -5.514  15.203   2.210
 1295    HG3  GLN   8           HG1      GLN   8  -4.854  16.388   1.088
 1296   HE21  GLN   8          HE21      GLN   8  -7.217  15.925  -0.728
 1297   HE22  GLN   8          HE22      GLN   8  -8.493  16.829  -0.002
 1298    H    VAL   9           HN       VAL   9  -4.165  12.488   2.829
 1299    HA   VAL   9           HA       VAL   9  -6.016  10.323   2.204
 1300    HB   VAL   9           HB       VAL   9  -3.382  10.197   3.650
 1301   HG11  VAL   9          HG11      VAL   9  -5.578   8.143   3.728
 1302   HG12  VAL   9          HG12      VAL   9  -4.892   9.032   5.090
 1303   HG13  VAL   9          HG13      VAL   9  -3.910   7.852   4.222
 1304   HG21  VAL   9          HG21      VAL   9  -3.440   9.908   1.202
 1305   HG22  VAL   9          HG22      VAL   9  -4.508   8.521   1.417
 1306   HG23  VAL   9          HG23      VAL   9  -2.863   8.475   2.052
 1307    H    ARG  10           HN       ARG  10  -7.663  10.009   3.617
 1308    HA   ARG  10           HA       ARG  10  -7.687  11.774   5.962
 1309    HB2  ARG  10           HB2      ARG  10  -9.535  11.830   4.155
 1310    HB3  ARG  10           HB1      ARG  10 -10.087  10.322   4.867
 1311    HG2  ARG  10           HG2      ARG  10  -9.672  12.716   6.598
 1312    HG3  ARG  10           HG1      ARG  10 -11.133  12.570   5.619
 1313    HD2  ARG  10           HD2      ARG  10 -11.592  10.392   6.664
 1314    HD3  ARG  10           HD1      ARG  10 -10.153  10.580   7.664
 1315    HE   ARG  10           HE       ARG  10 -11.821  12.813   8.019
 1316   HH11  ARG  10          HH11      ARG  10 -11.699   9.408   8.751
 1317   HH12  ARG  10          HH12      ARG  10 -12.672   9.549  10.176
 1318   HH21  ARG  10          HH21      ARG  10 -13.102  13.007   9.896
 1319   HH22  ARG  10          HH22      ARG  10 -13.470  11.593  10.827
 1320    H    GLY  11           HN       GLY  11  -7.940  11.059   7.985
 1321    HA2  GLY  11           HA2      GLY  11  -8.407   9.461   9.666
 1322    HA3  GLY  11           HA1      GLY  11  -8.467   8.211   8.431
 1323    H    ARG  12           HN       ARG  12  -6.794   9.126  11.023
 1324    HA   ARG  12           HA       ARG  12  -4.111   9.140  10.364
 1325    HB2  ARG  12           HB2      ARG  12  -5.325   9.388  12.667
 1326    HB3  ARG  12           HB1      ARG  12  -5.047   7.656  12.792
 1327    HG2  ARG  12           HG2      ARG  12  -3.255   8.709  13.901
 1328    HG3  ARG  12           HG1      ARG  12  -2.615   8.127  12.363
 1329    HD2  ARG  12           HD2      ARG  12  -2.902  10.380  11.420
 1330    HD3  ARG  12           HD1      ARG  12  -3.481  10.947  12.985
 1331    HE   ARG  12           HE       ARG  12  -0.782   9.811  12.689
 1332   HH11  ARG  12          HH11      ARG  12  -2.911  12.405  13.630
 1333   HH12  ARG  12          HH12      ARG  12  -1.650  13.349  14.350
 1334   HH21  ARG  12          HH21      ARG  12   0.882  11.049  13.634
 1335   HH22  ARG  12          HH22      ARG  12   0.505  12.579  14.353
 1336    H    GLU  13           HN       GLU  13  -6.081   6.216  11.019
 1337    HA   GLU  13           HA       GLU  13  -4.037   4.384  10.829
 1338    HB2  GLU  13           HB2      GLU  13  -6.428   3.947  11.491
 1339    HB3  GLU  13           HB1      GLU  13  -6.829   3.927   9.779
 1340    HG2  GLU  13           HG2      GLU  13  -6.581   1.685  10.405
 1341    HG3  GLU  13           HG1      GLU  13  -5.111   2.106   9.527
 1342    H    ASN  14           HN       ASN  14  -6.024   5.699   8.198
 1343    HA   ASN  14           HA       ASN  14  -4.907   4.150   6.103
 1344    HB2  ASN  14           HB2      ASN  14  -6.194   6.888   5.974
 1345    HB3  ASN  14           HB1      ASN  14  -5.968   5.779   4.626
 1346   HD21  ASN  14          HD21      ASN  14  -8.253   5.950   4.314
 1347   HD22  ASN  14          HD22      ASN  14  -9.333   5.004   5.275
 1348    H    PHE  15           HN       PHE  15  -4.228   7.407   7.323
 1349    HA   PHE  15           HA       PHE  15  -2.278   8.160   5.492
 1350    HB2  PHE  15           HB2      PHE  15  -3.384   9.663   7.126
 1351    HB3  PHE  15           HB1      PHE  15  -2.436   8.923   8.411
 1352    HD1  PHE  15           HD2      PHE  15  -1.368   9.922   4.983
 1353    HD2  PHE  15           HD1      PHE  15  -1.075  10.628   9.178
 1354    HE1  PHE  15           HE2      PHE  15   0.424  11.533   4.579
 1355    HE2  PHE  15           HE1      PHE  15   0.747  12.241   8.767
 1356    HZ   PHE  15           HZ       PHE  15   1.492  12.689   6.458
 1357    H    GLU  16           HN       GLU  16  -1.899   6.509   8.615
 1358    HA   GLU  16           HA       GLU  16   0.929   6.358   8.610
 1359    HB2  GLU  16           HB2      GLU  16  -1.146   4.609   9.936
 1360    HB3  GLU  16           HB1      GLU  16   0.581   4.519  10.256
 1361    HG2  GLU  16           HG2      GLU  16   0.544   6.846  11.031
 1362    HG3  GLU  16           HG1      GLU  16  -1.195   6.899  10.748
 1363    H    ILE  17           HN       ILE  17  -1.493   4.006   7.417
 1364    HA   ILE  17           HA       ILE  17   0.427   2.048   6.760
 1365    HB   ILE  17           HB       ILE  17  -2.409   2.500   6.153
 1366   HG12  ILE  17          HG12      ILE  17  -0.986  -0.114   6.540
 1367   HG13  ILE  17          HG11      ILE  17  -1.247   0.970   7.900
 1368   HG21  ILE  17          HG21      ILE  17  -1.570   2.248   3.871
 1369   HG22  ILE  17          HG22      ILE  17  -2.506   0.834   4.364
 1370   HG23  ILE  17          HG23      ILE  17  -0.743   0.760   4.339
 1371   HD11  ILE  17          HD11      ILE  17  -2.952  -0.776   7.725
 1372   HD12  ILE  17          HD12      ILE  17  -3.406  -0.158   6.135
 1373   HD13  ILE  17          HD13      ILE  17  -3.638   0.844   7.570
 1374    H    LEU  18           HN       LEU  18  -0.929   4.747   4.862
 1375    HA   LEU  18           HA       LEU  18   0.440   4.008   2.454
 1376    HB2  LEU  18           HB2      LEU  18  -1.140   6.370   3.391
 1377    HB3  LEU  18           HB1      LEU  18  -0.209   6.456   1.909
 1378    HG   LEU  18           HG       LEU  18  -1.878   4.082   1.983
 1379   HD11  LEU  18          HD11      LEU  18  -3.153   6.768   2.386
 1380   HD12  LEU  18          HD12      LEU  18  -3.446   5.271   3.266
 1381   HD13  LEU  18          HD13      LEU  18  -3.992   5.435   1.598
 1382   HD21  LEU  18          HD21      LEU  18  -1.555   6.445   0.144
 1383   HD22  LEU  18          HD22      LEU  18  -2.625   5.083  -0.192
 1384   HD23  LEU  18          HD23      LEU  18  -0.887   4.824  -0.049
 1385    H    MET  19           HN       MET  19   0.965   6.304   5.099
 1386    HA   MET  19           HA       MET  19   3.164   7.638   3.982
 1387    HB2  MET  19           HB2      MET  19   1.757   8.089   6.203
 1388    HB3  MET  19           HB1      MET  19   3.064   7.184   6.944
 1389    HG2  MET  19           HG2      MET  19   3.192   9.813   5.513
 1390    HG3  MET  19           HG1      MET  19   3.605   9.445   7.182
 1391    HE1  MET  19           HE1      MET  19   5.172  11.032   4.789
 1392    HE2  MET  19           HE2      MET  19   6.853  10.559   5.037
 1393    HE3  MET  19           HE3      MET  19   5.860  11.041   6.413
 1394    H    LYS  20           HN       LYS  20   3.056   4.858   6.169
 1395    HA   LYS  20           HA       LYS  20   5.793   4.349   6.352
 1396    HB2  LYS  20           HB2      LYS  20   3.684   3.254   7.491
 1397    HB3  LYS  20           HB1      LYS  20   3.846   2.103   6.172
 1398    HG2  LYS  20           HG2      LYS  20   6.154   2.794   7.957
 1399    HG3  LYS  20           HG1      LYS  20   4.985   1.541   8.377
 1400    HD2  LYS  20           HD2      LYS  20   5.484   0.464   6.170
 1401    HD3  LYS  20           HD1      LYS  20   6.789   1.634   5.965
 1402    HE2  LYS  20           HE2      LYS  20   6.543  -0.264   8.293
 1403    HE3  LYS  20           HE1      LYS  20   7.534  -0.561   6.866
 1404    HZ1  LYS  20           HZ1      LYS  20   7.851   1.727   8.734
 1405    HZ2  LYS  20           HZ2      LYS  20   8.816   1.415   7.380
 1406    HZ3  LYS  20           HZ3      LYS  20   8.834   0.350   8.695
 1407    H    LEU  21           HN       LEU  21   3.391   3.407   3.956
 1408    HA   LEU  21           HA       LEU  21   5.152   1.773   2.451
 1409    HB2  LEU  21           HB2      LEU  21   2.991   1.204   1.986
 1410    HB3  LEU  21           HB1      LEU  21   2.411   2.850   2.119
 1411    HG   LEU  21           HG       LEU  21   3.229   3.355  -0.122
 1412   HD11  LEU  21          HD11      LEU  21   4.756   0.963   0.265
 1413   HD12  LEU  21          HD12      LEU  21   4.897   2.191  -0.991
 1414   HD13  LEU  21          HD13      LEU  21   3.788   0.836  -1.205
 1415   HD21  LEU  21          HD21      LEU  21   1.577   0.845   0.047
 1416   HD22  LEU  21          HD22      LEU  21   1.738   1.848  -1.393
 1417   HD23  LEU  21          HD23      LEU  21   0.984   2.505   0.060
 1418    H    LYS  22           HN       LYS  22   4.231   5.169   2.240
 1419    HA   LYS  22           HA       LYS  22   5.345   5.819  -0.204
 1420    HB2  LYS  22           HB2      LYS  22   4.064   7.485   0.847
 1421    HB3  LYS  22           HB1      LYS  22   4.945   7.340   2.359
 1422    HG2  LYS  22           HG2      LYS  22   6.595   8.200   0.104
 1423    HG3  LYS  22           HG1      LYS  22   5.287   9.312   0.516
 1424    HD2  LYS  22           HD2      LYS  22   6.097   9.026   2.944
 1425    HD3  LYS  22           HD1      LYS  22   7.568   8.369   2.223
 1426    HE2  LYS  22           HE2      LYS  22   6.389  11.079   1.612
 1427    HE3  LYS  22           HE1      LYS  22   7.733  10.783   2.715
 1428    HZ1  LYS  22           HZ1      LYS  22   9.027   9.921   0.884
 1429    HZ2  LYS  22           HZ2      LYS  22   8.482  11.479   0.513
 1430    HZ3  LYS  22           HZ3      LYS  22   7.730  10.133  -0.183
 1431    H    GLU  23           HN       GLU  23   6.809   5.527   2.987
 1432    HA   GLU  23           HA       GLU  23   9.416   6.335   2.210
 1433    HB2  GLU  23           HB2      GLU  23   8.440   4.636   4.515
 1434    HB3  GLU  23           HB1      GLU  23  10.116   5.130   4.314
 1435    HG2  GLU  23           HG2      GLU  23   9.579   7.410   4.623
 1436    HG3  GLU  23           HG1      GLU  23   7.854   7.094   4.484
 1437    H    SER  24           HN       SER  24   7.898   3.114   2.469
 1438    HA   SER  24           HA       SER  24  10.180   1.703   1.745
 1439    HB2  SER  24           HB2      SER  24   8.702  -0.171   1.226
 1440    HB3  SER  24           HB1      SER  24   8.156   0.639   2.688
 1441    HG   SER  24           HG       SER  24   6.516   0.098   1.041
 1442    H    LEU  25           HN       LEU  25   7.573   2.959  -0.352
 1443    HA   LEU  25           HA       LEU  25   8.607   1.970  -2.799
 1444    HB2  LEU  25           HB2      LEU  25   6.584   3.963  -1.962
 1445    HB3  LEU  25           HB1      LEU  25   7.246   4.153  -3.573
 1446    HG   LEU  25           HG       LEU  25   6.020   1.576  -2.601
 1447   HD11  LEU  25          HD11      LEU  25   4.736   3.821  -4.149
 1448   HD12  LEU  25          HD12      LEU  25   4.326   3.306  -2.513
 1449   HD13  LEU  25          HD13      LEU  25   4.028   2.229  -3.876
 1450   HD21  LEU  25          HD21      LEU  25   7.528   1.352  -4.498
 1451   HD22  LEU  25          HD22      LEU  25   6.653   2.621  -5.357
 1452   HD23  LEU  25          HD23      LEU  25   5.855   1.091  -4.994
 1453    H    GLU  26           HN       GLU  26   9.007   5.098  -1.169
 1454    HA   GLU  26           HA       GLU  26  10.591   6.255  -3.216
 1455    HB2  GLU  26           HB2      GLU  26  10.323   6.938  -0.289
 1456    HB3  GLU  26           HB1      GLU  26  11.248   7.897  -1.434
 1457    HG2  GLU  26           HG2      GLU  26   8.289   7.481  -1.295
 1458    HG3  GLU  26           HG1      GLU  26   9.199   8.988  -1.274
 1459    H    LEU  27           HN       LEU  27  11.408   4.596  -0.195
 1460    HA   LEU  27           HA       LEU  27  14.228   4.906  -0.389
 1461    HB2  LEU  27           HB2      LEU  27  12.417   3.072   1.138
 1462    HB3  LEU  27           HB1      LEU  27  14.156   2.838   1.153
 1463    HG   LEU  27           HG       LEU  27  12.869   5.449   1.936
 1464   HD11  LEU  27          HD11      LEU  27  13.740   3.225   3.770
 1465   HD12  LEU  27          HD12      LEU  27  12.064   3.624   3.389
 1466   HD13  LEU  27          HD13      LEU  27  13.075   4.790   4.240
 1467   HD21  LEU  27          HD21      LEU  27  15.598   4.266   2.426
 1468   HD22  LEU  27          HD22      LEU  27  15.019   5.801   3.074
 1469   HD23  LEU  27          HD23      LEU  27  15.210   5.594   1.333
 1470    H    MET  28           HN       MET  28  12.029   2.460  -1.734
 1471    HA   MET  28           HA       MET  28  13.966   0.622  -2.311
 1472    HB2  MET  28           HB2      MET  28  11.495   0.306  -2.685
 1473    HB3  MET  28           HB1      MET  28  11.645   1.254  -4.158
 1474    HG2  MET  28           HG2      MET  28  13.466  -0.511  -4.756
 1475    HG3  MET  28           HG1      MET  28  12.628  -1.483  -3.558
 1476    HE1  MET  28           HE1      MET  28  10.656  -2.776  -3.899
 1477    HE2  MET  28           HE2      MET  28   9.421  -2.549  -5.139
 1478    HE3  MET  28           HE3      MET  28   9.604  -1.364  -3.849
 1479    H    GLU  29           HN       GLU  29  13.840   3.778  -3.540
 1480    HA   GLU  29           HA       GLU  29  15.244   3.135  -6.008
 1481    HB2  GLU  29           HB2      GLU  29  14.807   5.279  -6.681
 1482    HB3  GLU  29           HB1      GLU  29  13.444   4.993  -5.609
 1483    HG2  GLU  29           HG2      GLU  29  14.710   6.140  -3.800
 1484    HG3  GLU  29           HG1      GLU  29  15.951   6.535  -4.987
 1485    H    LEU  30           HN       LEU  30  15.958   4.115  -2.748
 1486    HA   LEU  30           HA       LEU  30  18.579   5.143  -3.477
 1487    HB2  LEU  30           HB2      LEU  30  18.522   6.283  -1.562
 1488    HB3  LEU  30           HB1      LEU  30  16.826   5.861  -1.533
 1489    HG   LEU  30           HG       LEU  30  18.998   4.343  -0.099
 1490   HD11  LEU  30          HD11      LEU  30  18.127   5.355   1.928
 1491   HD12  LEU  30          HD12      LEU  30  16.940   6.260   0.984
 1492   HD13  LEU  30          HD13      LEU  30  18.660   6.604   0.801
 1493   HD21  LEU  30          HD21      LEU  30  17.202   2.861  -0.560
 1494   HD22  LEU  30          HD22      LEU  30  16.009   4.079  -0.114
 1495   HD23  LEU  30          HD23      LEU  30  17.040   3.367   1.121
 1496    H    VAL  31           HN       VAL  31  17.387   2.194  -3.254
 1497    HA   VAL  31           HA       VAL  31  19.709   1.064  -1.857
 1498    HB   VAL  31           HB       VAL  31  17.752   0.022  -1.049
 1499   HG11  VAL  31          HG11      VAL  31  16.052  -0.990  -2.509
 1500   HG12  VAL  31          HG12      VAL  31  16.897  -0.340  -3.915
 1501   HG13  VAL  31          HG13      VAL  31  16.182   0.755  -2.731
 1502   HG21  VAL  31          HG21      VAL  31  19.349  -1.652  -1.325
 1503   HG22  VAL  31          HG22      VAL  31  19.196  -1.644  -3.081
 1504   HG23  VAL  31          HG23      VAL  31  17.911  -2.324  -2.090
 1505    HA   PRO  32           HA       PRO  32  21.889   0.654  -5.708
 1506    HB2  PRO  32           HB2      PRO  32  22.695  -1.894  -4.334
 1507    HB3  PRO  32           HB1      PRO  32  23.695  -0.750  -5.239
 1508    HG2  PRO  32           HG2      PRO  32  23.639  -0.727  -2.562
 1509    HG3  PRO  32           HG1      PRO  32  23.767   0.771  -3.500
 1510    HD2  PRO  32           HD2      PRO  32  21.490  -0.278  -1.940
 1511    HD3  PRO  32           HD1      PRO  32  21.851   1.391  -2.428
 1512    H    GLN  33           HN       GLN  33  21.107  -0.087  -7.577
 1513    HA   GLN  33           HA       GLN  33  18.894  -1.681  -7.884
 1514    HB2  GLN  33           HB2      GLN  33  19.764  -0.206  -9.632
 1515    HB3  GLN  33           HB1      GLN  33  21.135  -1.280  -9.869
 1516    HG2  GLN  33           HG2      GLN  33  19.613  -3.057 -10.584
 1517    HG3  GLN  33           HG1      GLN  33  18.246  -1.968 -10.360
 1518   HE21  GLN  33          HE21      GLN  33  21.337  -0.945 -11.620
 1519   HE22  GLN  33          HE22      GLN  33  20.798  -0.634 -13.232
 1520    HA   PRO  34           HA       PRO  34  21.856  -5.465  -8.943
 1521    HB2  PRO  34           HB2      PRO  34  24.109  -5.445  -7.327
 1522    HB3  PRO  34           HB1      PRO  34  24.077  -5.012  -9.039
 1523    HG2  PRO  34           HG2      PRO  34  24.015  -3.243  -6.633
 1524    HG3  PRO  34           HG1      PRO  34  24.871  -3.020  -8.170
 1525    HD2  PRO  34           HD2      PRO  34  22.617  -1.691  -7.639
 1526    HD3  PRO  34           HD1      PRO  34  22.959  -2.296  -9.272
 1527    H    LEU  35           HN       LEU  35  21.605  -3.955  -5.768
 1528    HA   LEU  35           HA       LEU  35  21.593  -6.441  -4.334
 1529    HB2  LEU  35           HB2      LEU  35  22.470  -4.380  -3.339
 1530    HB3  LEU  35           HB1      LEU  35  20.903  -3.617  -3.505
 1531    HG   LEU  35           HG       LEU  35  19.965  -5.183  -1.884
 1532   HD11  LEU  35          HD11      LEU  35  22.775  -6.219  -1.611
 1533   HD12  LEU  35          HD12      LEU  35  21.409  -7.097  -2.300
 1534   HD13  LEU  35          HD13      LEU  35  21.404  -6.659  -0.591
 1535   HD21  LEU  35          HD21      LEU  35  21.176  -4.345   0.102
 1536   HD22  LEU  35          HD22      LEU  35  20.789  -3.081  -1.066
 1537   HD23  LEU  35          HD23      LEU  35  22.430  -3.721  -0.972
 1538    H    VAL  36           HN       VAL  36  19.256  -4.249  -5.716
 1539    HA   VAL  36           HA       VAL  36  16.961  -5.424  -4.424
 1540    HB   VAL  36           HB       VAL  36  17.193  -3.613  -6.843
 1541   HG11  VAL  36          HG11      VAL  36  14.710  -4.665  -5.490
 1542   HG12  VAL  36          HG12      VAL  36  15.230  -4.988  -7.144
 1543   HG13  VAL  36          HG13      VAL  36  14.736  -3.361  -6.676
 1544   HG21  VAL  36          HG21      VAL  36  16.250  -1.923  -5.373
 1545   HG22  VAL  36          HG22      VAL  36  17.724  -2.592  -4.674
 1546   HG23  VAL  36          HG23      VAL  36  16.149  -3.096  -4.060
 1547    H    ASP  37           HN       ASP  37  18.640  -5.865  -7.496
 1548    HA   ASP  37           HA       ASP  37  16.815  -7.626  -8.685
 1549    HB2  ASP  37           HB2      ASP  37  18.716  -6.652  -9.910
 1550    HB3  ASP  37           HB1      ASP  37  19.837  -7.584  -8.921
 1551    H    SER  38           HN       SER  38  19.559  -8.209  -6.471
 1552    HA   SER  38           HA       SER  38  19.400 -10.989  -6.416
 1553    HB2  SER  38           HB2      SER  38  21.275  -9.782  -5.429
 1554    HB3  SER  38           HB1      SER  38  20.213  -9.084  -4.206
 1555    HG   SER  38           HG       SER  38  20.029 -11.026  -3.237
 1556    H    TYR  39           HN       TYR  39  17.709  -8.586  -4.404
 1557    HA   TYR  39           HA       TYR  39  16.369 -10.405  -2.743
 1558    HB2  TYR  39           HB2      TYR  39  16.218  -8.229  -1.962
 1559    HB3  TYR  39           HB1      TYR  39  15.895  -7.567  -3.562
 1560    HD1  TYR  39           HD1      TYR  39  14.374  -9.500  -0.785
 1561    HD2  TYR  39           HD2      TYR  39  13.683  -7.200  -4.295
 1562    HE1  TYR  39           HE1      TYR  39  11.970  -9.475  -0.292
 1563    HE2  TYR  39           HE2      TYR  39  11.289  -7.167  -3.814
 1564    HH   TYR  39           HH       TYR  39   9.992  -8.155  -0.814
 1565    H    ARG  40           HN       ARG  40  15.415  -8.925  -5.813
 1566    HA   ARG  40           HA       ARG  40  12.839  -9.944  -6.008
 1567    HB2  ARG  40           HB2      ARG  40  14.878  -9.269  -8.127
 1568    HB3  ARG  40           HB1      ARG  40  13.235  -9.761  -8.520
 1569    HG2  ARG  40           HG2      ARG  40  12.391  -7.852  -7.197
 1570    HG3  ARG  40           HG1      ARG  40  14.059  -7.341  -6.932
 1571    HD2  ARG  40           HD2      ARG  40  14.362  -7.154  -9.369
 1572    HD3  ARG  40           HD1      ARG  40  12.673  -7.604  -9.598
 1573    HE   ARG  40           HE       ARG  40  12.909  -5.362  -7.872
 1574   HH11  ARG  40          HH11      ARG  40  13.067  -6.301 -11.225
 1575   HH12  ARG  40          HH12      ARG  40  12.612  -4.739 -11.817
 1576   HH21  ARG  40          HH21      ARG  40  12.309  -3.303  -8.643
 1577   HH22  ARG  40          HH22      ARG  40  12.181  -3.035 -10.350
 1578    H    GLN  41           HN       GLN  41  15.927 -11.453  -6.679
 1579    HA   GLN  41           HA       GLN  41  14.930 -13.793  -7.946
 1580    HB2  GLN  41           HB2      GLN  41  17.308 -13.101  -8.026
 1581    HB3  GLN  41           HB1      GLN  41  17.450 -13.439  -6.307
 1582    HG2  GLN  41           HG2      GLN  41  16.985 -15.788  -6.711
 1583    HG3  GLN  41           HG1      GLN  41  16.780 -15.463  -8.431
 1584   HE21  GLN  41          HE21      GLN  41  19.051 -15.714  -5.807
 1585   HE22  GLN  41          HE22      GLN  41  20.476 -15.784  -6.780
 1586    H    GLN  42           HN       GLN  42  15.714 -13.027  -4.568
 1587    HA   GLN  42           HA       GLN  42  15.045 -15.555  -3.510
 1588    HB2  GLN  42           HB2      GLN  42  16.363 -13.856  -2.285
 1589    HB3  GLN  42           HB1      GLN  42  14.927 -12.850  -2.158
 1590    HG2  GLN  42           HG2      GLN  42  15.133 -13.922  -0.087
 1591    HG3  GLN  42           HG1      GLN  42  13.844 -14.776  -0.934
 1592   HE21  GLN  42          HE21      GLN  42  15.555 -15.664   1.252
 1593   HE22  GLN  42          HE22      GLN  42  16.351 -17.091   0.691
 1594    H    GLN  43           HN       GLN  43  13.163 -12.834  -4.501
 1595    HA   GLN  43           HA       GLN  43  10.759 -13.594  -3.131
 1596    HB2  GLN  43           HB2      GLN  43  11.108 -11.265  -3.635
 1597    HB3  GLN  43           HB1      GLN  43  11.317 -11.614  -5.344
 1598    HG2  GLN  43           HG2      GLN  43   8.748 -12.358  -4.052
 1599    HG3  GLN  43           HG1      GLN  43   9.064 -10.658  -4.392
 1600   HE21  GLN  43          HE21      GLN  43   9.281  -9.982  -6.536
 1601   HE22  GLN  43          HE22      GLN  43   8.706 -10.937  -7.855
 1602    H    GLN  44           HN       GLN  44  11.991 -13.839  -6.444
 1603    HA   GLN  44           HA       GLN  44   9.708 -14.986  -7.601
 1604    HB2  GLN  44           HB2      GLN  44  12.627 -15.162  -8.344
 1605    HB3  GLN  44           HB1      GLN  44  11.349 -15.874  -9.320
 1606    HG2  GLN  44           HG2      GLN  44  11.579 -12.959  -8.616
 1607    HG3  GLN  44           HG1      GLN  44  12.058 -13.681 -10.151
 1608   HE21  GLN  44          HE21      GLN  44  10.074 -11.612  -9.591
 1609   HE22  GLN  44          HE22      GLN  44   8.577 -12.202 -10.218
 1610    H    LEU  45           HN       LEU  45  12.149 -16.278  -5.546
 1611    HA   LEU  45           HA       LEU  45  12.061 -18.993  -6.137
 1612    HB2  LEU  45           HB2      LEU  45  13.674 -18.492  -4.583
 1613    HB3  LEU  45           HB1      LEU  45  12.647 -17.365  -3.721
 1614    HG   LEU  45           HG       LEU  45  11.359 -19.499  -2.965
 1615   HD11  LEU  45          HD11      LEU  45  12.461 -21.078  -4.424
 1616   HD12  LEU  45          HD12      LEU  45  12.826 -21.462  -2.742
 1617   HD13  LEU  45          HD13      LEU  45  14.032 -20.653  -3.744
 1618   HD21  LEU  45          HD21      LEU  45  13.013 -19.783  -1.088
 1619   HD22  LEU  45          HD22      LEU  45  12.457 -18.135  -1.378
 1620   HD23  LEU  45          HD23      LEU  45  14.052 -18.639  -1.939
 1621    H    LEU  46           HN       LEU  46  10.058 -17.134  -3.877
 1622    HA   LEU  46           HA       LEU  46   7.917 -19.101  -4.213
 1623    HB2  LEU  46           HB2      LEU  46   8.987 -19.792  -2.189
 1624    HB3  LEU  46           HB1      LEU  46   9.055 -18.147  -1.593
 1625    HG   LEU  46           HG       LEU  46   6.593 -18.133  -1.388
 1626   HD11  LEU  46          HD11      LEU  46   6.085 -19.750  -3.139
 1627   HD12  LEU  46          HD12      LEU  46   5.349 -20.208  -1.604
 1628   HD13  LEU  46          HD13      LEU  46   6.802 -21.033  -2.165
 1629   HD21  LEU  46          HD21      LEU  46   7.960 -20.423   0.020
 1630   HD22  LEU  46          HD22      LEU  46   6.460 -19.647   0.528
 1631   HD23  LEU  46          HD23      LEU  46   7.969 -18.735   0.530
 1632    H    GLN  47           HN       GLN  47   6.876 -17.557  -5.505
 1633    HA   GLN  47           HA       GLN  47   6.187 -14.980  -4.345
 1634    HB2  GLN  47           HB2      GLN  47   6.783 -15.611  -6.861
 1635    HB3  GLN  47           HB1      GLN  47   5.054 -15.918  -6.940
 1636    HG2  GLN  47           HG2      GLN  47   6.169 -13.328  -5.919
 1637    HG3  GLN  47           HG1      GLN  47   5.869 -13.617  -7.631
 1638   HE21  GLN  47          HE21      GLN  47   4.439 -13.149  -4.505
 1639   HE22  GLN  47          HE22      GLN  47   2.821 -12.897  -5.057
 1640    H    ARG  48           HN       ARG  48   5.153 -16.961  -2.811
 1641    HA   ARG  48           HA       ARG  48   2.274 -16.682  -3.307
 1642    HB2  ARG  48           HB2      ARG  48   3.671 -19.236  -2.493
 1643    HB3  ARG  48           HB1      ARG  48   1.929 -19.007  -2.491
 1644    HG2  ARG  48           HG2      ARG  48   1.950 -18.663  -4.890
 1645    HG3  ARG  48           HG1      ARG  48   3.706 -18.836  -4.910
 1646    HD2  ARG  48           HD2      ARG  48   3.504 -21.125  -4.106
 1647    HD3  ARG  48           HD1      ARG  48   1.750 -20.956  -4.027
 1648    HE   ARG  48           HE       ARG  48   2.751 -20.404  -6.637
 1649   HH11  ARG  48          HH11      ARG  48   1.936 -22.989  -4.445
 1650   HH12  ARG  48          HH12      ARG  48   1.612 -24.129  -5.708
 1651   HH21  ARG  48          HH21      ARG  48   2.327 -21.900  -8.304
 1652   HH22  ARG  48          HH22      ARG  48   1.836 -23.511  -7.900