*HEADER    TRANSCRIPTION                           14-JUN-05   1ZZF              
*TITLE     THE DNA-BOUND SOLUTION STRUCTURE OF HPV-16 E2 DNA-BINDING             
*TITLE    2 DOMAIN                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REGULATORY PROTEIN E2;                                     
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: DNA-BINDING DOMAIN;                                        
*COMPND   5 SYNONYM: HPV-16 E2 TRASCRIPTION FACTOR;                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN PAPILLOMAVIRUS TYPE 16;                   
*SOURCE   3 ORGANISM_COMMON: VIRUSES;                                            
*SOURCE   4 GENE: E2;                                                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: JM109;                                     
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PTZ18U-E2                                 
*KEYWDS    DNA-PROTEIN COMPLEX, PAPILLOMAVIRUS TRANSCRIPTION FACTOR,             
*KEYWDS   2 DIMERIC BETA-BARREL                                                  
*EXPDTA    NMR                                                                   
*AUTHOR    T.ELISEO, A.D.NADRA, G.DE PRAT-GAY, M.PACI, O.D.CICERO                
*REVDAT   1   14-MAR-06 1ZZF    0                                                


! INTRAMONOMER NOEs (15N-edited)
!MONOMER A
assign (resid 4  and name HN and segid a) (resid 78  and name HA and segid a)  2.8 1.0 0.5
assign (resid 4  and name HN and segid a) (resid 53  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 4  and name HN and segid a) (resid 77  and name HN and segid a)  2.8 1.0 0.5
assign (resid 4  and name HN and segid a) (resid 78  and name HN and segid a)  5.5 3.7 0.5
assign (resid 4  and name HN and segid a) (resid 79  and name HN and segid a)  5.5 3.7 0.5
assign (resid 5  and name HN and segid a) (resid 4  and name HA and segid a)  2.8 1.0 0.5
assign (resid 5  and name HN and segid a) (resid 50  and name HA and segid a)  4.5 2.7 0.5
assign (resid 5  and name HN and segid a) (resid 51  and name HN and segid a)  2.8 1.0 0.5
assign (resid 5  and name HN and segid a) (resid 53  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 5  and name HN and segid a) (resid 53  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 5  and name HN and segid a) (resid 77  and name HN and segid a)  5.5 3.7 0.5
assign (resid 6  and name HN and segid a) (resid 75  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 7  and name HN and segid a) (resid 6  and name HA and segid a)  2.8 1.0 0.5
assign (resid 7  and name HN and segid a) (resid 49  and name HN and segid a)  2.8 1.0 0.5
assign (resid 8  and name HN and segid a) (resid 74  and name HA and segid a)  4.5 2.7 0.5
assign (resid 8  and name HN and segid a) (resid 48  and name HA and segid a)  4.5 2.7 0.5
assign (resid 8  and name HN and segid a) (resid 7  and name HA and segid a)  2.8 1.0 0.5
assign (resid 8  and name HN and segid a) (resid 73  and name HN and segid a)  4.5 2.7 0.5
assign (resid 9  and name HN and segid a) (resid 8  and name HA and segid a)  2.8 1.0 0.5
assign (resid 9  and name HN and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 9  and name HN and segid a) (resid 73  and name HN and segid a)  5.5 3.7 0.5
assign (resid 10  and name HN and segid a) (resid 72  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 10  and name HN and segid a) (resid 11  and name HN and segid a)  5.5 3.7 0.5
assign (resid 11  and name HN and segid a) (resid 14  and name HN and segid a)  5.5 3.7 0.5
assign (resid 11  and name HN and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 11  and name HN and segid a) (resid 14  and name HG and segid a)  5.5 3.7 0.5
assign (resid 11  and name HN and segid a) (resid 9  and name HA# and segid a)  5.5 3.7 0.5
assign (resid 12  and name HN and segid a) (resid 15  and name HN and segid a)  5.5 3.7 0.5
assign (resid 12  and name HN and segid a) (resid 10  and name HN and segid a)  5.5 3.7 0.5
assign (resid 12  and name HN and segid a) (resid 14  and name HN and segid a)  4.5 2.7 0.5
assign (resid 12  and name HN and segid a) (resid 11  and name HN and segid a)  4.5 2.7 0.5
assign (resid 12  and name HN and segid a) (resid 14  and name HG and segid a)  5.5 3.7 0.5
assign (resid 13  and name HN and segid a) (resid 15  and name HN and segid a)  5.5 3.7 0.5
assign (resid 13  and name HN and segid a) (resid 14  and name HN and segid a)  2.8 1.0 0.5
assign (resid 13  and name HN and segid a) (resid 11  and name HN and segid a)  4.5 2.7 0.5
assign (resid 13  and name HN and segid a) (resid 12  and name HN and segid a)  2.8 1.0 0.5
assign (resid 14  and name HN and segid a) (resid 15  and name HN and segid a)  2.8 1.0 0.5
assign (resid 15  and name HN and segid a) (resid 14  and name HD1# and segid a)  5.5 3.7 0.5
assign (resid 16  and name HN and segid a) (resid 19  and name HN and segid a)  4.5 2.7 0.5
assign (resid 16  and name HN and segid a) (resid 14  and name HN and segid a)  4.5 2.7 0.5
assign (resid 17  and name HN and segid a) (resid 13  and name HA and segid a)  4.5 2.7 0.5
assign (resid 17  and name HN and segid a) (resid 19  and name HN and segid a)  4.5 2.7 0.5
assign (resid 17  and name HN and segid a) (resid 14  and name HN and segid a)  4.5 2.7 0.5
assign (resid 18  and name HN and segid a) (resid 21  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 18  and name HN and segid a) (resid 19  and name HN and segid a)  2.8 1.0 0.5
assign (resid 18  and name HN and segid a) (resid 20  and name HN and segid a)  4.5 2.7 0.5
assign (resid 18  and name HN and segid a) (resid 21  and name HN and segid a)  4.5 2.7 0.5
assign (resid 19  and name HN and segid a) (resid 22  and name HG# and segid a)  5.5 3.7 0.5
assign (resid 19  and name HN and segid a) (resid 16  and name HA and segid a)  4.5 2.7 0.5
assign (resid 19  and name HN and segid a) (resid 20  and name HN and segid a)  2.8 1.0 0.5
assign (resid 19  and name HN and segid a) (resid 21  and name HN and segid a)  4.5 2.7 0.5
assign (resid 20  and name HN and segid a) (resid 21  and name HN and segid a)  2.8 1.0 0.5
assign (resid 21  and name HN and segid a) (resid 24  and name HN and segid a)  5.5 3.7 0.5
assign (resid 22  and name HN and segid a) (resid 20  and name HA and segid a)  4.5 2.7 0.5
assign (resid 22  and name HN and segid a) (resid 21  and name HN and segid a)  2.8 1.0 0.5
assign (resid 22  and name HN and segid a) (resid 24  and name HN and segid a)  4.5 2.7 0.5
assign (resid 22  and name HN and segid a) (resid 23  and name HN and segid a)  2.8 1.0 0.5
assign (resid 22  and name HN and segid a) (resid 21  and name HD# and segid a)  4.5 2.7 0.5
assign (resid 23  and name HN and segid a) (resid 21  and name HN and segid a)  4.5 2.7 0.5
assign (resid 23  and name HN and segid a) (resid 24  and name HN and segid a)  2.8 1.0 0.5
assign (resid 23  and name HN and segid a) (resid 21  and name HD# and segid a)  5.5 3.7 0.5
assign (resid 24  and name HN and segid a) (resid 25  and name HN and segid a)  2.8 1.0 0.5
assign (resid 25  and name HN and segid a) (resid 28  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 27  and name HN and segid a) (resid 25  and name HA and segid a)  5.5 3.7 0.5
assign (resid 27  and name HN and segid a) (resid 28  and name HD1 and segid a)  5.5 3.7 0.5
assign (resid 27  and name HN and segid a) (resid 28  and name HN and segid a)  2.8 1.0 0.5
assign (resid 27  and name HN and segid a) (resid 25  and name HN and segid a)  5.5 3.7 0.5
assign (resid 27  and name HN and segid a) (resid 28  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 28  and name HN and segid a) (resid 53  and name HE2 and segid a)  5.5 3.7 0.5
assign (resid 28  and name HN and segid a) (resid 29  and name HN and segid a)  4.5 2.7 0.5
assign (resid 29  and name HN and segid a) (resid 51  and name HD2# and segid a)  5.5 3.7 0.5
assign (resid 29  and name HN and segid a) (resid 54  and name HN and segid a)  4.5 2.7 0.5
assign (resid 29  and name HN and segid a) (resid 52  and name HN and segid a)  4.5 2.7 0.5
assign (resid 29  and name HN and segid a) (resid 30  and name HN and segid a)  2.8 1.0 0.5
assign (resid 29  and name HN and segid a) (resid 53  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 30  and name HN and segid a) (resid 28  and name HD2 and segid a)  2.8 1.0 0.5
assign (resid 30  and name HN and segid a) (resid 52  and name HN and segid a)  2.8 1.0 0.5
assign (resid 30  and name HN and segid a) (resid 54  and name HN and segid a)  5.5 3.7 0.5
assign (resid 31  and name HN and segid a) (resid 28  and name HE2 and segid a)  4.5 2.7 0.5
assign (resid 31  and name HN and segid a) (resid 30  and name HN and segid a)  4.5 2.7 0.5
assign (resid 31  and name HN and segid a) (resid 32  and name HN and segid a)  4.5 2.7 0.5
assign (resid 33  and name HN and segid a) (resid 32  and name HN and segid a)  4.5 2.7 0.5
assign (resid 33  and name HN and segid a) (resid 34  and name HN and segid a)  4.5 2.7 0.5
assign (resid 33  and name HN and segid a) (resid 50  and name HN and segid a)  5.5 3.7 0.5
assign (resid 35  and name HN and segid a) (resid 49  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 35  and name HN and segid a) (resid 47  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 35  and name HN and segid a) (resid 48  and name HN and segid a)  2.8 1.0 0.5
assign (resid 36  and name HN and segid a) (resid 48  and name HD1# and segid a)  5.5 3.7 0.5
assign (resid 37  and name HN and segid a) (resid 48  and name HD1# and segid a)  5.5 3.7 0.5
assign (resid 37  and name HN and segid a) (resid 35  and name HE3 and segid a)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid a) (resid 35  and name HH2 and segid a)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid a) (resid 48  and name HD1# and segid a)  2.8 1.0 0.5
assign (resid 38  and name HN and segid a) (resid 37  and name HA and segid a)  2.8 1.0 0.5
assign (resid 38  and name HN and segid a) (resid 37  and name HE3 and segid a)  2.8 1.0 0.5
assign (resid 47  and name HN and segid a) (resid 14  and name HD1# and segid a)  5.5 3.7 0.5
assign (resid 47  and name HN and segid a) (resid 11  and name HN and segid a)  4.5 2.7 0.5
assign (resid 48  and name HN and segid a) (resid 35  and name HN and segid a)  4.5 2.7 0.5
assign (resid 48  and name HN and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 48  and name HN and segid a) (resid 35  and name HE3 and segid a)  5.5 3.7 0.5
assign (resid 48  and name HN and segid a) (resid 35  and name HD1 and segid a)  5.5 3.7 0.5
assign (resid 49  and name HN and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 49  and name HN and segid a) (resid 7  and name HN and segid a)  2.8 1.0 0.5
assign (resid 49  and name HN and segid a) (resid 6  and name HA and segid a)  5.5 3.7 0.5
assign (resid 50  and name HN and segid a) (resid 35  and name HE1 and segid a)  2.8 1.0 0.5
assign (resid 50  and name HN and segid a) (resid 32  and name HN and segid a)  4.5 2.7 0.5
assign (resid 50  and name HN and segid a) (resid 49  and name HN and segid a)  4.5 2.7 0.5
assign (resid 50  and name HN and segid a) (resid 35  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 51  and name HN and segid a) (resid 50  and name HA and segid a)  2.8 1.0 0.5
assign (resid 51  and name HN and segid a) (resid 5  and name HN and segid a)  2.8 1.0 0.5
assign (resid 51  and name HN and segid a) (resid 52  and name HN and segid a)  4.5 2.7 0.5
assign (resid 52  and name HN and segid a) (resid 51  and name HA and segid a)  2.8 1.0 0.5
assign (resid 52  and name HN and segid a) (resid 51  and name HD# and segid a)  5.5 3.7 0.5
assign (resid 52  and name HN and segid a) (resid 53  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 52  and name HN and segid a) (resid 29  and name HN and segid a)  4.5 2.7 0.5
assign (resid 53  and name HN and segid a) (resid 2  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 53  and name HN and segid a) (resid 54  and name HN and segid a)  4.5 2.7 0.5
assign (resid 53  and name HN and segid a) (resid 52  and name HN and segid a)  4.5 2.7 0.5
assign (resid 53  and name HN and segid a) (resid 29  and name HN and segid a)  4.5 2.7 0.5
assign (resid 54  and name HN and segid a) (resid 55  and name HN and segid a)  2.8 1.0 0.5
assign (resid 54  and name HN and segid a) (resid 53  and name HA and segid a)  2.8 1.0 0.5
assign (resid 54  and name HN and segid a) (resid 58  and name HE2# and segid a)  4.5 2.7 0.5
assign (resid 54  and name HN and segid a) (resid 53  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 54  and name HN and segid a) (resid 58  and name HN and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 53  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 58  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 54  and name HA and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 59  and name HN and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 58  and name HN and segid a)  4.5 2.7 0.5
assign (resid 55  and name HN and segid a) (resid 29  and name HN and segid a)  5.5 3.7 0.5
assign (resid 55  and name HN and segid a) (resid 58  and name HE2# and segid a)  5.5 3.7 0.5
assign (resid 57  and name HN and segid a) (resid 55  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 57  and name HN and segid a) (resid 55  and name HN and segid a)  5.5 3.7 0.5
assign (resid 57  and name HN and segid a) (resid 59  and name HN and segid a)  4.5 2.7 0.5
assign (resid 57  and name HN and segid a) (resid 56  and name HN and segid a)  4.5 2.7 0.5
assign (resid 58  and name HN and segid a) (resid 59  and name HN and segid a)  2.8 1.0 0.5
assign (resid 58  and name HN and segid a) (resid 60  and name HN and segid a)  4.5 2.7 0.5
assign (resid 58  and name HN and segid a) (resid 56  and name HN and segid a)  5.5 3.7 0.5
assign (resid 59  and name HN and segid a) (resid 53  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 59  and name HN and segid a) (resid 60  and name HN and segid a)  2.8 1.0 0.5
assign (resid 59  and name HN and segid a) (resid 62  and name HN and segid a)  5.5 3.7 0.5
assign (resid 59  and name HN and segid a) (resid 56  and name HN and segid a)  5.5 3.7 0.5
assign (resid 59  and name HN and segid a) (resid 53  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 59  and name HN and segid a) (resid 53  and name HE2 and segid a)  5.5 3.7 0.5
assign (resid 60  and name HN and segid a) (resid 56  and name HA and segid a)  4.5 2.7 0.5
assign (resid 60  and name HN and segid a) (resid 62  and name HN and segid a)  4.5 2.7 0.5
assign (resid 60  and name HN and segid a) (resid 63  and name HN and segid a)  5.5 3.7 0.5
assign (resid 60  and name HN and segid a) (resid 57  and name HE3 and segid a)  5.5 3.7 0.5
assign (resid 60  and name HN and segid a) (resid 53  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 61  and name HN and segid a) (resid 58  and name HA and segid a)  4.5 2.7 0.5
assign (resid 61  and name HN and segid a) (resid 61  and name HE21 and segid a)  4.5 2.7 0.5
assign (resid 61  and name HN and segid a) (resid 59  and name HN and segid a)  4.5 2.7 0.5
assign (resid 61  and name HN and segid a) (resid 57  and name HE3 and segid a)  5.5 3.7 0.5
assign (resid 61  and name HN and segid a) (resid 63  and name HN and segid a)  4.5 2.7 0.5
assign (resid 61  and name HN and segid a) (resid 62  and name HN and segid a)  2.8 1.0 0.5
assign (resid 62  and name HN and segid a) (resid 63  and name HN and segid a)  2.8 1.0 0.5
assign (resid 62  and name HN and segid a) (resid 53  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 62  and name HN and segid a) (resid 64  and name HN and segid a)  4.5 2.7 0.5
assign (resid 63  and name HN and segid a) (resid 62  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 63  and name HN and segid a) (resid 64  and name HN and segid a)  2.8 1.0 0.5
assign (resid 63  and name HN and segid a) (resid 60  and name HA and segid a)  4.5 2.7 0.5
assign (resid 63  and name HN and segid a) (resid 64  and name HN and segid a)  2.8 1.0 0.5
assign (resid 64  and name HN and segid a) (resid 65  and name HN and segid a)  2.8 1.0 0.5
assign (resid 64  and name HN and segid a) (resid 61  and name HN and segid a)  5.5 3.7 0.5
assign (resid 64  and name HN and segid a) (resid 62  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 65  and name HN and segid a) (resid 62  and name HA and segid a)  4.5 2.7 0.5
assign (resid 65  and name HN and segid a) (resid 63  and name HD# and segid a)  5.5 3.7 0.5
assign (resid 65  and name HN and segid a) (resid 62  and name HN and segid a)  5.5 3.7 0.5
assign (resid 65  and name HN and segid a) (resid 63  and name HN and segid a)  4.5 2.7 0.5
assign (resid 65  and name HN and segid a) (resid 62  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 66  and name HN and segid a) (resid 62  and name HA and segid a)  4.5 2.7 0.5
assign (resid 66  and name HN and segid a) (resid 62  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 66  and name HN and segid a) (resid 67  and name HN and segid a)  4.5 2.7 0.5
assign (resid 66  and name HN and segid a) (resid 63  and name HN and segid a)  4.5 2.7 0.5
assign (resid 66  and name HN and segid a) (resid 62  and name HN and segid a)  5.5 3.7 0.5
assign (resid 67  and name HN and segid a) (resid 66  and name HA and segid a)  2.8 1.0 0.5
assign (resid 67  and name HN and segid a) (resid 66  and name HN and segid a)  4.5 2.7 0.5
assign (resid 67  and name HN and segid a) (resid 68  and name HN and segid a)  4.5 2.7 0.5
assign (resid 68  and name HN and segid a) (resid 67  and name HA and segid a)  2.8 1.0 0.5
assign (resid 70  and name HN and segid a) (resid 69  and name HA and segid a)  2.8 1.0 0.5
assign (resid 70  and name HN and segid a) (resid 72  and name HN and segid a)  4.5 2.7 0.5
assign (resid 70  and name HN and segid a) (resid 71  and name HN and segid a)  2.8 1.0 0.5
assign (resid 71  and name HN and segid a) (resid 69  and name HB# and segid a)  2.8 1.0 0.5
assign (resid 71  and name HN and segid a) (resid 72  and name HN and segid a)  2.8 1.0 0.5
assign (resid 72  and name HN and segid a) (resid 73  and name HN and segid a)  4.5 2.7 0.5
assign (resid 72  and name HN and segid a) (resid 69  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 72  and name HN and segid a) (resid 68  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 72  and name HN and segid a) (resid 10  and name HN and segid a)  5.5 3.7 0.5
assign (resid 73  and name HN and segid a) (resid 72  and name HA and segid a)  2.8 1.0 0.5
assign (resid 73  and name HN and segid a) (resid 8  and name HN and segid a)  2.8 1.0 0.5
assign (resid 74  and name HN and segid a) (resid 73  and name HA and segid a)  2.8 1.0 0.5
assign (resid 74  and name HN and segid a) (resid 75  and name HN and segid a)  4.5 2.7 0.5
assign (resid 75  and name HN and segid a) (resid 5  and name HG1# and segid a)  2.8 1.0 0.5
assign (resid 75  and name HN and segid a) (resid 74  and name HA and segid a)  2.8 1.0 0.5
assign (resid 75  and name HN and segid a) (resid 6  and name HN and segid a)  2.8 1.0 0.5
assign (resid 76  and name HN and segid a) (resid 5  and name HG1# and segid a)  5.5 3.7 0.5
assign (resid 76  and name HN and segid a) (resid 75  and name HA and segid a)  2.8 1.0 0.5
assign (resid 76  and name HN and segid a) (resid 75  and name HN and segid a)  4.5 2.7 0.5
assign (resid 77  and name HN and segid a) (resid 4  and name HG1# and segid a)  4.5 2.7 0.5
assign (resid 77  and name HN and segid a) (resid 3  and name HA and segid a)  4.5 2.7 0.5
assign (resid 77  and name HN and segid a) (resid 78  and name HN and segid a)  4.5 2.7 0.5
assign (resid 77  and name HN and segid a) (resid 76  and name HN and segid a)  4.5 2.7 0.5
assign (resid 77  and name HN and segid a) (resid 4  and name HN and segid a)  2.8 1.0  0.5
assign (resid 77  and name HN and segid a) (resid 53  and name HD1 and segid a)  5.5 3.7 0.5
assign (resid 78  and name HN and segid a) (resid 4  and name HG1# and segid a)  4.5 2.7 0.5
assign (resid 78  and name HN and segid a) (resid 4  and name HN and segid a)  4.5 2.7 0.5
assign (resid 78  and name HN and segid a) (resid 79  and name HN and segid a)  4.5 2.7 0.5
assign (resid 79  and name HN and segid a) (resid 2  and name HN and segid a)  4.5 2.7 0.5
assign (resid 79  and name HN and segid a) (resid 78  and name HA and segid a)  2.8 1.0 0.5
assign (resid 79  and name HN and segid a) (resid 3  and name HA and segid a)  4.5 2.7 0.5
assign (resid 79  and name HN and segid a) (resid 3  and name HG# and segid a)  5.5 3.7 0.5
assign (resid 79  and name HN and segid a) (resid 4  and name HG1# and segid a)  4.5 2.7 0.5
assign (resid 80  and name HN and segid a) (resid 79  and name HA and segid a)  2.8 1.0 0.5
assign (resid 80  and name HN and segid a) (resid 81  and name HN and segid a)  4.5 2.7 0.5
assign (resid 80  and name HN and segid a) (resid 79  and name HG# and segid a)  4.5 2.7 0.5
assign (resid 81  and name HN and segid a) (resid 80  and name HA and segid a)  2.8 1.0 0.5
assign (resid 81  and name HN and segid a) (resid 2  and name HN and segid a)  4.5 2.7 0.5
assign (resid 81  and name HN and segid a) (resid 79  and name HN and segid a)  5.5 3.7 0.5
assign (resid 81  and name HN and segid a) (resid 79  and name HB# and segid a)  4.5 2.7 0.5



!MONOMER B
assign (resid 4  and name HN and segid b) (resid 78  and name HA and segid b)  2.8 1.0 0.5
assign (resid 4  and name HN and segid b) (resid 53  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 4  and name HN and segid b) (resid 77  and name HN and segid b)  2.8 1.0 0.5
assign (resid 4  and name HN and segid b) (resid 78  and name HN and segid b)  5.5 3.7 0.5
assign (resid 4  and name HN and segid b) (resid 79  and name HN and segid b)  5.5 3.7 0.5
assign (resid 5  and name HN and segid b) (resid 4  and name HA and segid b)  2.8 1.0 0.5
assign (resid 5  and name HN and segid b) (resid 50  and name HA and segid b)  4.5 2.7 0.5
assign (resid 5  and name HN and segid b) (resid 51  and name HN and segid b)  2.8 1.0 0.5
assign (resid 5  and name HN and segid b) (resid 53  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 5  and name HN and segid b) (resid 53  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 5  and name HN and segid b) (resid 77  and name HN and segid b)  5.5 3.7 0.5
assign (resid 6  and name HN and segid b) (resid 75  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 7  and name HN and segid b) (resid 6  and name HA and segid b)  2.8 1.0 0.5
assign (resid 7  and name HN and segid b) (resid 49  and name HN and segid b)  2.8 1.0 0.5
assign (resid 8  and name HN and segid b) (resid 74  and name HA and segid b)  4.5 2.7 0.5
assign (resid 8  and name HN and segid b) (resid 48  and name HA and segid b)  4.5 2.7 0.5
assign (resid 8  and name HN and segid b) (resid 7  and name HA and segid b)  2.8 1.0 0.5
assign (resid 8  and name HN and segid b) (resid 73  and name HN and segid b)  4.5 2.7 0.5
assign (resid 9  and name HN and segid b) (resid 8  and name HA and segid b)  2.8 1.0 0.5
assign (resid 9  and name HN and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 9  and name HN and segid b) (resid 73  and name HN and segid b)  5.5 3.7 0.5
assign (resid 10  and name HN and segid b) (resid 72  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 10  and name HN and segid b) (resid 11  and name HN and segid b)  5.5 3.7 0.5
assign (resid 11  and name HN and segid b) (resid 14  and name HN and segid b)  5.5 3.7 0.5
assign (resid 11  and name HN and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 11  and name HN and segid b) (resid 14  and name HG and segid b)  5.5 3.7 0.5
assign (resid 11  and name HN and segid b) (resid 9  and name HA# and segid b)  5.5 3.7 0.5
assign (resid 12  and name HN and segid b) (resid 15  and name HN and segid b)  5.5 3.7 0.5
assign (resid 12  and name HN and segid b) (resid 10  and name HN and segid b)  5.5 3.7 0.5
assign (resid 12  and name HN and segid b) (resid 14  and name HN and segid b)  4.5 2.7 0.5
assign (resid 12  and name HN and segid b) (resid 11  and name HN and segid b)  4.5 2.7 0.5
assign (resid 12  and name HN and segid b) (resid 14  and name HG and segid b)  5.5 3.7 0.5
assign (resid 13  and name HN and segid b) (resid 15  and name HN and segid b)  5.5 3.7 0.5
assign (resid 13  and name HN and segid b) (resid 14  and name HN and segid b)  2.8 1.0 0.5
assign (resid 13  and name HN and segid b) (resid 11  and name HN and segid b)  4.5 2.7 0.5
assign (resid 13  and name HN and segid b) (resid 12  and name HN and segid b)  2.8 1.0 0.5
assign (resid 14  and name HN and segid b) (resid 15  and name HN and segid b)  2.8 1.0 0.5
assign (resid 15  and name HN and segid b) (resid 14  and name HD1# and segid b)  5.5 3.7 0.5
assign (resid 16  and name HN and segid b) (resid 19  and name HN and segid b)  4.5 2.7 0.5
assign (resid 16  and name HN and segid b) (resid 14  and name HN and segid b)  4.5 2.7 0.5
assign (resid 17  and name HN and segid b) (resid 13  and name HA and segid b)  4.5 2.7 0.5
assign (resid 17  and name HN and segid b) (resid 19  and name HN and segid b)  4.5 2.7 0.5
assign (resid 17  and name HN and segid b) (resid 14  and name HN and segid b)  4.5 2.7 0.5
assign (resid 18  and name HN and segid b) (resid 21  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 18  and name HN and segid b) (resid 19  and name HN and segid b)  2.8 1.0 0.5
assign (resid 18  and name HN and segid b) (resid 20  and name HN and segid b)  4.5 2.7 0.5
assign (resid 18  and name HN and segid b) (resid 21  and name HN and segid b)  4.5 2.7 0.5
assign (resid 19  and name HN and segid b) (resid 22  and name HG# and segid b)  5.5 3.7 0.5
assign (resid 19  and name HN and segid b) (resid 16  and name HA and segid b)  4.5 2.7 0.5
assign (resid 19  and name HN and segid b) (resid 20  and name HN and segid b)  2.8 1.0 0.5
assign (resid 19  and name HN and segid b) (resid 21  and name HN and segid b)  4.5 2.7 0.5
assign (resid 20  and name HN and segid b) (resid 21  and name HN and segid b)  2.8 1.0 0.5
assign (resid 21  and name HN and segid b) (resid 24  and name HN and segid b)  5.5 3.7 0.5
assign (resid 22  and name HN and segid b) (resid 20  and name HA and segid b)  4.5 2.7 0.5
assign (resid 22  and name HN and segid b) (resid 21  and name HN and segid b)  2.8 1.0 0.5
assign (resid 22  and name HN and segid b) (resid 24  and name HN and segid b)  4.5 2.7 0.5
assign (resid 22  and name HN and segid b) (resid 23  and name HN and segid b)  2.8 1.0 0.5
assign (resid 22  and name HN and segid b) (resid 21  and name HD# and segid b)  4.5 2.7 0.5
assign (resid 23  and name HN and segid b) (resid 21  and name HN and segid b)  4.5 2.7 0.5
assign (resid 23  and name HN and segid b) (resid 24  and name HN and segid b)  2.8 1.0 0.5
assign (resid 23  and name HN and segid b) (resid 21  and name HD# and segid b)  5.5 3.7 0.5
assign (resid 24  and name HN and segid b) (resid 25  and name HN and segid b)  2.8 1.0 0.5
assign (resid 25  and name HN and segid b) (resid 28  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 27  and name HN and segid b) (resid 25  and name HA and segid b)  5.5 3.7 0.5
assign (resid 27  and name HN and segid b) (resid 28  and name HD1 and segid b)  5.5 3.7 0.5
assign (resid 27  and name HN and segid b) (resid 28  and name HN and segid b)  2.8 1.0 0.5
assign (resid 27  and name HN and segid b) (resid 25  and name HN and segid b)  5.5 3.7 0.5
assign (resid 27  and name HN and segid b) (resid 28  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 28  and name HN and segid b) (resid 53  and name HE2 and segid b)  5.5 3.7 0.5
assign (resid 28  and name HN and segid b) (resid 29  and name HN and segid b)  4.5 2.7 0.5
assign (resid 29  and name HN and segid b) (resid 51  and name HD2# and segid b)  5.5 3.7 0.5
assign (resid 29  and name HN and segid b) (resid 54  and name HN and segid b)  4.5 2.7 0.5
assign (resid 29  and name HN and segid b) (resid 52  and name HN and segid b)  4.5 2.7 0.5
assign (resid 29  and name HN and segid b) (resid 30  and name HN and segid b)  2.8 1.0 0.5
assign (resid 29  and name HN and segid b) (resid 53  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 30  and name HN and segid b) (resid 28  and name HD2 and segid b)  2.8 1.0 0.5
assign (resid 30  and name HN and segid b) (resid 52  and name HN and segid b)  2.8 1.0 0.5
assign (resid 30  and name HN and segid b) (resid 54  and name HN and segid b)  5.5 3.7 0.5
assign (resid 31  and name HN and segid b) (resid 28  and name HE2 and segid b)  4.5 2.7 0.5
assign (resid 31  and name HN and segid b) (resid 30  and name HN and segid b)  4.5 2.7 0.5
assign (resid 31  and name HN and segid b) (resid 32  and name HN and segid b)  4.5 2.7 0.5
assign (resid 33  and name HN and segid b) (resid 32  and name HN and segid b)  4.5 2.7 0.5
assign (resid 33  and name HN and segid b) (resid 34  and name HN and segid b)  4.5 2.7 0.5
assign (resid 33  and name HN and segid b) (resid 50  and name HN and segid b)  5.5 3.7 0.5
assign (resid 35  and name HN and segid b) (resid 49  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 35  and name HN and segid b) (resid 47  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 35  and name HN and segid b) (resid 48  and name HN and segid b)  2.8 1.0 0.5
assign (resid 36  and name HN and segid b) (resid 48  and name HD1# and segid b)  5.5 3.7 0.5
assign (resid 37  and name HN and segid b) (resid 48  and name HD1# and segid b)  5.5 3.7 0.5
assign (resid 37  and name HN and segid b) (resid 35  and name HE3 and segid b)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid b) (resid 35  and name HH2 and segid b)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid b) (resid 48  and name HD1# and segid b)  2.8 1.0 0.5
assign (resid 38  and name HN and segid b) (resid 37  and name HA and segid b)  2.8 1.0 0.5
assign (resid 38  and name HN and segid b) (resid 37  and name HE3 and segid b)  2.8 1.0 0.5
assign (resid 47  and name HN and segid b) (resid 14  and name HD1# and segid b)  5.5 3.7 0.5
assign (resid 47  and name HN and segid b) (resid 11  and name HN and segid b)  4.5 2.7 0.5
assign (resid 48  and name HN and segid b) (resid 35  and name HN and segid b)  4.5 2.7 0.5
assign (resid 48  and name HN and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 48  and name HN and segid b) (resid 35  and name HE3 and segid b)  5.5 3.7 0.5
assign (resid 48  and name HN and segid b) (resid 35  and name HD1 and segid b)  5.5 3.7 0.5
assign (resid 49  and name HN and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 49  and name HN and segid b) (resid 7  and name HN and segid b)  2.8 1.0 0.5
assign (resid 49  and name HN and segid b) (resid 6  and name HA and segid b)  5.5 3.7 0.5
assign (resid 50  and name HN and segid b) (resid 35  and name HE1 and segid b)  2.8 1.0 0.5
assign (resid 50  and name HN and segid b) (resid 32  and name HN and segid b)  4.5 2.7 0.5
assign (resid 50  and name HN and segid b) (resid 49  and name HN and segid b)  4.5 2.7 0.5
assign (resid 50  and name HN and segid b) (resid 35  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 51  and name HN and segid b) (resid 50  and name HA and segid b)  2.8 1.0 0.5
assign (resid 51  and name HN and segid b) (resid 5  and name HN and segid b)  2.8 1.0 0.5
assign (resid 51  and name HN and segid b) (resid 52  and name HN and segid b)  4.5 2.7 0.5
assign (resid 52  and name HN and segid b) (resid 51  and name HA and segid b)  2.8 1.0 0.5
assign (resid 52  and name HN and segid b) (resid 51  and name HD# and segid b)  5.5 3.7 0.5
assign (resid 52  and name HN and segid b) (resid 53  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 52  and name HN and segid b) (resid 29  and name HN and segid b)  4.5 2.7 0.5
assign (resid 53  and name HN and segid b) (resid 2  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 53  and name HN and segid b) (resid 54  and name HN and segid b)  4.5 2.7 0.5
assign (resid 53  and name HN and segid b) (resid 52  and name HN and segid b)  4.5 2.7 0.5
assign (resid 53  and name HN and segid b) (resid 29  and name HN and segid b)  4.5 2.7 0.5
assign (resid 54  and name HN and segid b) (resid 55  and name HN and segid b)  2.8 1.0 0.5
assign (resid 54  and name HN and segid b) (resid 53  and name HA and segid b)  2.8 1.0 0.5
assign (resid 54  and name HN and segid b) (resid 58  and name HE2# and segid b)  4.5 2.7 0.5
assign (resid 54  and name HN and segid b) (resid 53  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 54  and name HN and segid b) (resid 58  and name HN and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 53  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 58  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 54  and name HA and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 59  and name HN and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 58  and name HN and segid b)  4.5 2.7 0.5
assign (resid 55  and name HN and segid b) (resid 29  and name HN and segid b)  5.5 3.7 0.5
assign (resid 55  and name HN and segid b) (resid 58  and name HE2# and segid b)  5.5 3.7 0.5
assign (resid 57  and name HN and segid b) (resid 55  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 57  and name HN and segid b) (resid 55  and name HN and segid b)  5.5 3.7 0.5
assign (resid 57  and name HN and segid b) (resid 59  and name HN and segid b)  4.5 2.7 0.5
assign (resid 57  and name HN and segid b) (resid 56  and name HN and segid b)  4.5 2.7 0.5
assign (resid 58  and name HN and segid b) (resid 59  and name HN and segid b)  2.8 1.0 0.5
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assign (resid 59  and name HN and segid b) (resid 53  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 59  and name HN and segid b) (resid 60  and name HN and segid b)  2.8 1.0 0.5
assign (resid 59  and name HN and segid b) (resid 62  and name HN and segid b)  5.5 3.7 0.5
assign (resid 59  and name HN and segid b) (resid 56  and name HN and segid b)  5.5 3.7 0.5
assign (resid 59  and name HN and segid b) (resid 53  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 59  and name HN and segid b) (resid 53  and name HE2 and segid b)  5.5 3.7 0.5
assign (resid 60  and name HN and segid b) (resid 56  and name HA and segid b)  4.5 2.7 0.5
assign (resid 60  and name HN and segid b) (resid 62  and name HN and segid b)  4.5 2.7 0.5
assign (resid 60  and name HN and segid b) (resid 63  and name HN and segid b)  5.5 3.7 0.5
assign (resid 60  and name HN and segid b) (resid 57  and name HE3 and segid b)  5.5 3.7 0.5
assign (resid 60  and name HN and segid b) (resid 53  and name HD2 and segid b)  5.5 3.7 0.5
assign (resid 61  and name HN and segid b) (resid 58  and name HA and segid b)  4.5 2.7 0.5
assign (resid 61  and name HN and segid b) (resid 61  and name HE21 and segid b)  4.5 2.7 0.5
assign (resid 61  and name HN and segid b) (resid 59  and name HN and segid b)  4.5 2.7 0.5
assign (resid 61  and name HN and segid b) (resid 57  and name HE3 and segid b)  5.5 3.7 0.5
assign (resid 61  and name HN and segid b) (resid 63  and name HN and segid b)  4.5 2.7 0.5
assign (resid 61  and name HN and segid b) (resid 62  and name HN and segid b)  2.8 1.0 0.5
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assign (resid 63  and name HN and segid b) (resid 64  and name HN and segid b)  2.8 1.0 0.5
assign (resid 63  and name HN and segid b) (resid 60  and name HA and segid b)  4.5 2.7 0.5
assign (resid 63  and name HN and segid b) (resid 64  and name HN and segid b)  2.8 1.0 0.5
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assign (resid 64  and name HN and segid b) (resid 61  and name HN and segid b)  5.5 3.7 0.5
assign (resid 64  and name HN and segid b) (resid 62  and name HD2 and segid b)  5.5 3.7 0.5
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assign (resid 66  and name HN and segid b) (resid 63  and name HN and segid b)  4.5 2.7 0.5
assign (resid 66  and name HN and segid b) (resid 62  and name HN and segid b)  5.5 3.7 0.5
assign (resid 67  and name HN and segid b) (resid 66  and name HA and segid b)  2.8 1.0 0.5
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assign (resid 71  and name HN and segid b) (resid 69  and name HB# and segid b)  2.8 1.0 0.5
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assign (resid 77  and name HN and segid b) (resid 4  and name HN and segid b)  2.8 1.0 0.5
assign (resid 77  and name HN and segid b) (resid 53  and name HD1 and segid b)  5.5 3.7 0.5
assign (resid 78  and name HN and segid b) (resid 4  and name HG1# and segid b)  4.5 2.7 0.5
assign (resid 78  and name HN and segid b) (resid 4  and name HN and segid b)  4.5 2.7 0.5
assign (resid 78  and name HN and segid b) (resid 79  and name HN and segid b)  4.5 2.7 0.5
assign (resid 79  and name HN and segid b) (resid 2  and name HN and segid b)  4.5 2.7 0.5
assign (resid 79  and name HN and segid b) (resid 78  and name HA and segid b)  2.8 1.0 0.5
assign (resid 79  and name HN and segid b) (resid 3  and name HA and segid b)  4.5 2.7 0.5
assign (resid 79  and name HN and segid b) (resid 3  and name HG# and segid b)  5.5 3.7 0.5
assign (resid 79  and name HN and segid b) (resid 4  and name HG1# and segid b)  4.5 2.7 0.5
assign (resid 80  and name HN and segid b) (resid 79  and name HA and segid b)  2.8 1.0 0.5
assign (resid 80  and name HN and segid b) (resid 81  and name HN and segid b)  4.5 2.7 0.5
assign (resid 80  and name HN and segid b) (resid 79  and name HG# and segid b)  4.5 2.7 0.5
assign (resid 81  and name HN and segid b) (resid 80  and name HA and segid b)  2.8 1.0 0.5
assign (resid 81  and name HN and segid b) (resid 2  and name HN and segid b)  4.5 2.7 0.5
assign (resid 81  and name HN and segid b) (resid 79  and name HN and segid b)  5.5 3.7 0.5
assign (resid 81  and name HN and segid b) (resid 79  and name HB# and segid b)  4.5 2.7 0.5



!INTERMONOMER NOEs (15N-edited)
assign (resid 33  and name HN and segid a) (resid 36  and name HN and segid b)  2.8 1.0 0.5
assign (resid 33  and name HN and segid a) (resid 35  and name HE3 and segid b)  2.8 1.0 0.5
assign (resid 33  and name HN and segid a) (resid 35  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 36  and name HN and segid a) (resid 34  and name HN and segid b)  4.5 2.7 0.5
assign (resid 36  and name HN and segid a) (resid 35  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 37  and name HN and segid a) (resid 32  and name HA and segid b)  4.5 2.7 0.5
assign (resid 37  and name HN and segid a) (resid 32  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid a) (resid 52  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 38  and name HN and segid a) (resid 30  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 78  and name HN and segid a) (resid 80  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 78  and name HN and segid a) (resid 79  and name HA and segid b)  4.5 2.7 0.5
assign (resid 79  and name HN and segid a) (resid 77  and name HA1 and segid b)  5.5 3.7 0.5
assign (resid 80  and name HN and segid a) (resid 78  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 80  and name HN and segid a) (resid 78  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 80  and name HN and segid a) (resid 77  and name HA1 and segid b)  2.8 1.0 0.5
assign (resid 80  and name HN and segid a) (resid 77  and name HA2 and segid b)  2.8 1.0 0.5

assign (resid 33  and name HN and segid b) (resid 36  and name HN and segid a)  2.8 1.0 0.5
assign (resid 33  and name HN and segid b) (resid 35  and name HE3 and segid a)  2.8 1.0 0.5
assign (resid 33  and name HN and segid b) (resid 35  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 36  and name HN and segid b) (resid 34  and name HN and segid a)  4.5 2.7 0.5
assign (resid 36  and name HN and segid b) (resid 35  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 37  and name HN and segid b) (resid 32  and name HA and segid a)  4.5 2.7 0.5
assign (resid 37  and name HN and segid b) (resid 32  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 37  and name HE1 and segid b) (resid 52  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 38  and name HN and segid b) (resid 30  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 78  and name HN and segid b) (resid 80  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 78  and name HN and segid b) (resid 79  and name HA and segid a)  4.5 2.7 0.5
assign (resid 79  and name HN and segid b) (resid 77  and name HA1 and segid a)  5.5 3.7 0.5
assign (resid 80  and name HN and segid b) (resid 78  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 80  and name HN and segid b) (resid 78  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 80  and name HN and segid b) (resid 77  and name HA1 and segid a)  2.8 1.0 0.5
assign (resid 80  and name HN and segid b) (resid 77  and name HA2 and segid a)  2.8 1.0 0.5








!INTRAMONOMER NOEs (13C-edited)
! MONOMER A
assign (resid 48  and name HG2# and segid a) (resid 35  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 72  and name HD1# and segid a) (resid 13  and name HB and segid a)  4.5 2.7 0.5
assign (resid 72  and name HD1# and segid a) (resid 9  and name HA1 and segid a)  5.5 3.7 0.5
assign (resid 72  and name HD1# and segid a) (resid 9  and name HN and segid a)  4.5 2.7 0.5
assign (resid 68  and name HD1# and segid a) (resid 63  and name HA and segid a)  5.5 3.7 0.5
assign (resid 68  and name HD1# and segid a) (resid 62  and name HE2 and segid a)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid a) (resid 81  and name HG1# and segid a)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid a) (resid 81  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid a) (resid 81  and name HA and segid a)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid a) (resid 78  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid a) (resid 78  and name HE2 and segid a)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid a) (resid 78  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid a) (resid 79  and name HN and segid a)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid a) (resid 79  and name HA and segid a)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid a) (resid 80  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid a) (resid 80  and name HN and segid a)  5.5 3.7 0.5
assign (resid 4  and name HD1# and segid a) (resid 50  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 4  and name HD1# and segid a) (resid 79  and name HG# and segid a)  4.5 2.7 0.5
assign (resid 2  and name HG2# and segid a) (resid 4  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 2  and name HG2# and segid a) (resid 53  and name HN and segid a)  5.5 3.7 0.5
assign (resid 2  and name HG2# and segid a) (resid 52  and name HB and segid a)  5.5 3.7 0.5
assign (resid 47  and name HB# and segid a) (resid 36  and name HB# and segid a) 5.5 3.7 0.5
assign (resid 47  and name HB# and segid a) (resid 11  and name HA and segid a)  2.8 1.0 0.5
assign (resid 47  and name HB# and segid a) (resid 47  and name HN and segid a)  4.5 2.7 0.5
assign (resid 47  and name HB# and segid a) (resid 48  and name HN and segid a)  4.5 2.7 0.5
assign (resid 66  and name HG2# and segid a) (resid 68  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 66  and name HG2# and segid a) (resid 65  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 66  and name HG2# and segid a) (resid 62  and name HE2 and segid a)  4.5 2.7 0.5
assign (resid 66  and name HG1# and segid a) (resid 27  and name HG and segid a)  5.5 3.7 0.5
assign (resid 66  and name HG1# and segid a) (resid 62  and name HE1 and segid a)  5.5 3.7 0.5
assign (resid 66  and name HG1# and segid a) (resid 21  and name HD1 and segid a)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid a) (resid 72  and name HB and segid a)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid a) (resid 72  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid a) (resid 69  and name HD# and segid a)  4.5 2.7 0.5
assign (resid 31  and name HG2# and segid a) (resid 51  and name HD1# and segid a)  2.8 1.0 0.5
assign (resid 31  and name HG2# and segid a) (resid 51  and name HD2# and segid a)  2.8 1.0 0.5
assign (resid 4  and name HG2# and segid a) (resid 79  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 4  and name HG2# and segid a) (resid 52  and name HA and segid a)  4.5 2.7 0.5
assign (resid 2  and name HA and segid a) (resid 2  and name HG2# and segid a)  2.8 1.0 0.5
assign (resid 2  and name HA and segid a) (resid 3  and name HG# and segid a)  4.5 2.7 0.5
assign (resid 2  and name HA and segid a) (resid 3  and name HD# and segid a)  2.8 1.0 0.5
assign (resid 2  and name HA and segid a) (resid 3  and name HA and segid a)  4.5 2.7 0.5
assign (resid 2  and name HB and segid a) (resid 2  and name HN and segid a)  4.5 2.7 0.5
assign (resid 2  and name HB and segid a) (resid 2  and name HG2# and segid a)  2.8 1.0 0.5
assign (resid 52  and name HA and segid a) (resid 4  and name HA and segid a)  2.8 1.0 0.5
assign (resid 52  and name HA and segid a) (resid 4  and name HB and segid a)  4.5 2.7 0.5
assign (resid 52  and name HA and segid a) (resid 4  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 52  and name HA and segid a) (resid 51  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 54  and name HA and segid a) (resid 2  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 11  and name HA and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 11  and name HA and segid a) (resid 14  and name HB# and segid a)  2.8 1.0 0.5
assign (resid 11  and name HA and segid a) (resid 10  and name HA and segid a)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid a) (resid 47  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid a) (resid 12  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 11  and name HB# and segid a) (resid 12  and name HA and segid a)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid a) (resid 12  and name HN and segid a)  4.5 2.7 0.5
assign (resid 59  and name HA and segid a) (resid 62  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 59  and name HA and segid a) (resid 58  and name HG# and segid a)  4.5 2.7 0.5
assign (resid 59  and name HA and segid a) (resid 63  and name HD2# and segid a)  5.5 3.7 0.5
assign (resid 58  and name HA and segid a) (resid 54  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 58  and name HA and segid a) (resid 61  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 58  and name HA and segid a) (resid 61  and name HN and segid a)  4.5 2.7 0.5
assign (resid 56  and name HA and segid a) (resid 59  and name HD# and segid a)  4.5 2.7 0.5
assign (resid 56  and name HA and segid a) (resid 3  and name HG1 and segid a)  2.8 1.0 0.5
assign (resid 61  and name HA and segid a) (resid 63  and name HD2# and segid a)  5.5 3.7 0.5
assign (resid 61  and name HA and segid a) (resid 62  and name HA and segid a)  4.5 2.7 0.5
assign (resid 61  and name HA and segid a) (resid 64  and name HN and segid a)  4.5 2.7 0.5
assign (resid 70  and name HA and segid a) (resid 72  and name HN and segid a)  4.5 2.7 0.5
assign (resid 70  and name HA and segid a) (resid 72  and name HD1# and segid a)  5.5 3.7 0.5
assign (resid 52  and name HA and segid a) (resid 2  and name HB and segid a)  4.5 2.7 0.5
assign (resid 80  and name HA and segid a) (resid 1  and name HG# and segid a)  5.5 3.7 0.5
assign (resid 76  and name HA and segid a) (resid 5  and name HG2# and segid a)  2.8 1.0 0.5
assign (resid 76  and name HA and segid a) (resid 5  and name HA and segid a)  2.8 1.0 0.5
assign (resid 76  and name HA and segid a) (resid 77  and name HN and segid a)  2.8 1.0 0.5
assign (resid 57  and name HA and segid a) (resid 60  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 57  and name HA and segid a) (resid 60  and name HN and segid a)  4.5 2.7 0.5
assign (resid 57  and name HA and segid a) (resid 58  and name HN and segid a)  4.5 2.7 0.5
assign (resid 71  and name HA and segid a) (resid 70  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 71  and name HA and segid a) (resid 70  and name HG# and segid a)  4.5 2.7 0.5
assign (resid 74  and name HA and segid a) (resid 7  and name HA and segid a)  2.8 1.0 0.5
assign (resid 74  and name HA and segid a) (resid 75  and name HN and segid a)  2.8 1.0 0.5
assign (resid 29  and name HA and segid a) (resid 30  and name HN and segid a)  4.5 2.7 0.5
assign (resid 69  and name HA and segid a) (resid 68  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 69  and name HA and segid a) (resid 68  and name HG1# and segid a)  5.5 3.7 0.5
assign (resid 75  and name HB2 and segid a) (resid 5  and name HG1# and segid a)  5.5 3.7 0.5
assign (resid 55  and name HB# and segid a) (resid 3  and name HG# and segid a)  5.5 3.7 0.5
assign (resid 30  and name HA and segid a) (resid 28  and name HD2 and segid a)  4.5 2.7 0.5
assign (resid 11  and name HA and segid a) (resid 14  and name HB2 and segid a)  2.8 1.0 0.5
assign (resid 11  and name HA and segid a) (resid 14  and name HD1# and segid a)  2.8 1.0 0.5
assign (resid 47  and name HA and segid a) (resid 14  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 29  and name HB and segid a) (resid 53  and name HN and segid a)  4.5 2.7 0.5
assign (resid 52  and name HB and segid a) (resid 2  and name HG2# and segid a)  5.5 3.7 0.5
assign (resid 73  and name HB and segid a) (resid 8  and name HN and segid a)  4.5 2.7 0.5
assign (resid 73  and name HB and segid a) (resid 8  and name HB# and segid a)  4.5 2.7 0.5
assign (resid 76  and name HB and segid a) (resid 5  and name HG2# and segid a)  5.5 3.7 0.5




! MONOMER B
assign (resid 48  and name HG2# and segid b) (resid 35  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 72  and name HD1# and segid b) (resid 13  and name HB and segid b)  4.5 2.7 0.5
assign (resid 72  and name HD1# and segid b) (resid 9  and name HA1 and segid b)  5.5 3.7 0.5
assign (resid 72  and name HD1# and segid b) (resid 9  and name HN and segid b)  4.5 2.7 0.5
assign (resid 68  and name HD1# and segid b) (resid 63  and name HA and segid b)  5.5 3.7 0.5
assign (resid 68  and name HD1# and segid b) (resid 62  and name HE2 and segid b)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid b) (resid 81  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid b) (resid 81  and name HA and segid b)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid b) (resid 78  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid b) (resid 78  and name HE2 and segid b)  4.5 2.7 0.5
assign (resid 1  and name HE# and segid b) (resid 79  and name HN and segid b)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid b) (resid 79  and name HA and segid b)  5.5 3.7 0.5
assign (resid 1  and name HE# and segid b) (resid 80  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 4  and name HD1# and segid b) (resid 50  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 4  and name HD1# and segid b) (resid 79  and name HG# and segid b)  4.5 2.7 0.5
assign (resid 2  and name HG2# and segid b) (resid 4  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 2  and name HG2# and segid b) (resid 52  and name HB and segid b)  5.5 3.7 0.5
assign (resid 47  and name HB# and segid b) (resid 36  and name HB# and segid b) 5.5 3.7 0.5
assign (resid 47  and name HB# and segid b) (resid 11  and name HA and segid b)  2.8 1.0 0.5
assign (resid 47  and name HB# and segid b) (resid 47  and name HN and segid b)  4.5 2.7 0.5
assign (resid 47  and name HB# and segid b) (resid 48  and name HN and segid b)  4.5 2.7 0.5
assign (resid 66  and name HG2# and segid b) (resid 68  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 66  and name HG2# and segid b) (resid 65  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 66  and name HG2# and segid b) (resid 62  and name HE2 and segid b)  4.5 2.7 0.5
assign (resid 66  and name HG1# and segid b) (resid 27  and name HG and segid b)  5.5 3.7 0.5
assign (resid 66  and name HG1# and segid b) (resid 62  and name HE1 and segid b)  5.5 3.7 0.5
assign (resid 66  and name HG1# and segid b) (resid 21  and name HD1 and segid b)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid b) (resid 72  and name HB and segid b)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid b) (resid 72  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 68  and name HG2# and segid b) (resid 69  and name HD# and segid b)  4.5 2.7 0.5
assign (resid 4  and name HG2# and segid b) (resid 79  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 4  and name HG2# and segid b) (resid 52  and name HA and segid b)  4.5 2.7 0.5
assign (resid 2  and name HA and segid b) (resid 2  and name HG2# and segid b)  2.8 1.0 0.5
assign (resid 2  and name HA and segid b) (resid 3  and name HG# and segid b)  4.5 2.7 0.5
assign (resid 2  and name HA and segid b) (resid 3  and name HD# and segid b)  2.8 1.0 0.5
assign (resid 2  and name HA and segid b) (resid 3  and name HA and segid b)  4.5 2.7 0.5
assign (resid 2  and name HB and segid b) (resid 2  and name HN and segid b)  4.5 2.7 0.5
assign (resid 2  and name HB and segid b) (resid 2  and name HG2# and segid b)  2.8 1.0 0.5
assign (resid 52  and name HA and segid b) (resid 4  and name HA and segid b)  2.8 1.0 0.5
assign (resid 52  and name HA and segid b) (resid 4  and name HB and segid b)  4.5 2.7 0.5
assign (resid 52  and name HA and segid b) (resid 4  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 52  and name HA and segid b) (resid 51  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 54  and name HA and segid b) (resid 2  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 11  and name HA and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 11  and name HA and segid b) (resid 14  and name HB# and segid b)  2.8 1.0 0.5
assign (resid 11  and name HA and segid b) (resid 10  and name HA and segid b)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid b) (resid 47  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid b) (resid 12  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 11  and name HB# and segid b) (resid 12  and name HA and segid b)  4.5 2.7 0.5
assign (resid 11  and name HB# and segid b) (resid 12  and name HN and segid b)  4.5 2.7 0.5
assign (resid 59  and name HA and segid b) (resid 62  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 59  and name HA and segid b) (resid 58  and name HG# and segid b)  4.5 2.7 0.5
assign (resid 59  and name HA and segid b) (resid 63  and name HD2# and segid b)  5.5 3.7 0.5
assign (resid 58  and name HA and segid b) (resid 54  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 58  and name HA and segid b) (resid 61  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 58  and name HA and segid b) (resid 61  and name HN and segid b)  4.5 2.7 0.5
assign (resid 56  and name HA and segid b) (resid 59  and name HD# and segid b)  4.5 2.7 0.5
assign (resid 56  and name HA and segid b) (resid 3  and name HG1 and segid b)  2.8 1.0 0.5
assign (resid 61  and name HA and segid b) (resid 63  and name HD2# and segid b)  5.5 3.7 0.5
assign (resid 61  and name HA and segid b) (resid 62  and name HA and segid b)  4.5 2.7 0.5
assign (resid 61  and name HA and segid b) (resid 64  and name HN and segid b)  4.5 2.7 0.5
assign (resid 70  and name HA and segid b) (resid 72  and name HN and segid b)  4.5 2.7 0.5
assign (resid 70  and name HA and segid b) (resid 72  and name HD1# and segid b)  5.5 3.7 0.5
assign (resid 52  and name HA and segid b) (resid 2  and name HB and segid b)  4.5 2.7 0.5
assign (resid 80  and name HA and segid b) (resid 1  and name HG# and segid b)  5.5 3.7 0.5
assign (resid 76  and name HA and segid b) (resid 5  and name HG2# and segid b)  2.8 1.0 0.5
assign (resid 76  and name HA and segid b) (resid 5  and name HA and segid b)  2.8 1.0 0.5
assign (resid 76  and name HA and segid b) (resid 77  and name HN and segid b)  2.8 1.0 0.5
assign (resid 57  and name HA and segid b) (resid 60  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 57  and name HA and segid b) (resid 60  and name HN and segid b)  4.5 2.7 0.5
assign (resid 57  and name HA and segid b) (resid 58  and name HN and segid b)  4.5 2.7 0.5
assign (resid 71  and name HA and segid b) (resid 70  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 71  and name HA and segid b) (resid 70  and name HG# and segid b)  4.5 2.7 0.5
assign (resid 74  and name HA and segid b) (resid 7  and name HA and segid b)  2.8 1.0 0.5
assign (resid 74  and name HA and segid b) (resid 75  and name HN and segid b)  2.8 1.0 0.5
assign (resid 29  and name HA and segid b) (resid 30  and name HN and segid b)  4.5 2.7 0.5
assign (resid 69  and name HA and segid b) (resid 68  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 69  and name HA and segid b) (resid 68  and name HG1# and segid b)  5.5 3.7 0.5
assign (resid 75  and name HB2 and segid b) (resid 5  and name HG1# and segid b)  5.5 3.7 0.5
assign (resid 55  and name HB# and segid b) (resid 3  and name HG# and segid b)  5.5 3.7 0.5
assign (resid 30  and name HA and segid b) (resid 28  and name HD2 and segid b)  4.5 2.7 0.5
assign (resid 11  and name HA and segid b) (resid 14  and name HB2 and segid b)  2.8 1.0 0.5
assign (resid 11  and name HA and segid b) (resid 14  and name HD1# and segid b)  2.8 1.0 0.5
assign (resid 47  and name HA and segid b) (resid 14  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 29  and name HB and segid b) (resid 53  and name HN and segid b)  4.5 2.7 0.5
assign (resid 52  and name HB and segid b) (resid 2  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 73  and name HB and segid b) (resid 8  and name HN and segid b)  4.5 2.7 0.5
assign (resid 73  and name HB and segid b) (resid 8  and name HB# and segid b)  4.5 2.7 0.5
assign (resid 76  and name HB and segid b) (resid 5  and name HG2# and segid b)  5.5 3.7 0.5


!INTERMONOMER NOEs (13C-edited)
assign (resid 79  and name HE# and segid a) (resid 6  and name HE1 and segid b)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid a) (resid 6  and name HD2 and segid b)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid a) (resid 77  and name HN and segid b)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid a) (resid 4  and name HD1# and segid b)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid a) (resid 4  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 81  and name HA and segid a) (resid 76  and name HG2# and segid b)  4.5 2.7 0.5
assign (resid 37  and name HA and segid a) (resid 30  and name HB# and segid b)  5.5 3.7 0.5
assign (resid 75  and name HA and segid a) (resid 81  and name HG2# and segid b)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid b) (resid 6  and name HE1 and segid a)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid b) (resid 6  and name HD2 and segid a)  5.5 3.7 0.5
assign (resid 79  and name HE# and segid b) (resid 77  and name HN and segid a)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid b) (resid 4  and name HD1# and segid a)  4.5 2.7 0.5
assign (resid 79  and name HE# and segid b) (resid 4  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 81  and name HA and segid b) (resid 76  and name HG2# and segid a)  4.5 2.7 0.5
assign (resid 37  and name HA and segid b) (resid 30  and name HB# and segid a)  5.5 3.7 0.5
assign (resid 75  and name HA and segid b) (resid 81  and name HG2# and segid a)  5.5 3.7 0.5









!INTRAMONOMER H-BONDS
! MONOMER B
assign (resid 2  and name HN and segid b) (resid 79  and name O and segid b)  2.00 0.50 0.50
assign (resid 2  and name N and segid b) (resid 79  and name O and segid b)  3.00 0.50 0.60
assign (resid 4  and name HN and segid b) (resid 77  and name O and segid b)  2.00 0.50 0.50
assign (resid 4  and name N and segid b) (resid 77  and name O and segid b)  3.00 0.50 0.60
assign (resid 5  and name HN and segid b) (resid 51  and name O and segid b)  2.00 0.50 0.50
assign (resid 5  and name N and segid b) (resid 51  and name O and segid b)  3.00 0.50 0.60
assign (resid 6  and name HN and segid b) (resid 75  and name O and segid b)  2.00 0.50 0.50
assign (resid 6  and name N and segid b) (resid 75  and name O and segid b)  3.00 0.50 0.60
assign (resid 8  and name HN and segid b) (resid 73  and name O and segid b)  2.00 0.50 0.50
assign (resid 8  and name N and segid b) (resid 73  and name O and segid b)  3.00 0.50 0.60
assign (resid 7  and name HN and segid b) (resid 49  and name O and segid b)  2.00 0.50 0.50
assign (resid 7  and name N and segid b) (resid 49  and name O and segid b)  3.00 0.50 0.60
assign (resid 9  and name HN and segid b) (resid 47  and name O and segid b)  2.00 0.50 0.50
assign (resid 9  and name N and segid b) (resid 47  and name O and segid b)  3.00 0.50 0.60
assign (resid 14  and name HN and segid b) (resid 10  and name O and segid b)  2.00 0.50 0.50
assign (resid 14  and name N and segid b) (resid 10  and name O and segid b)  3.00 0.50 0.60
assign (resid 15  and name HN and segid b) (resid 11  and name O and segid b)  2.00 0.50 0.50
assign (resid 15  and name N and segid b) (resid 11  and name O and segid b)  3.00 0.50 0.60
assign (resid 16  and name HN and segid b) (resid 12  and name O and segid b)  2.00 0.50 0.50
assign (resid 16  and name N and segid b) (resid 12  and name O and segid b)  3.00 0.50 0.60
assign (resid 17  and name HN and segid b) (resid 13  and name O and segid b)  2.00 0.50 0.50
assign (resid 17  and name N and segid b) (resid 13  and name O and segid b)  3.00 0.50 0.60
assign (resid 18  and name HN and segid b) (resid 14  and name O and segid b)  2.00 0.50 0.50
assign (resid 18  and name N and segid b) (resid 14  and name O and segid b)  3.00 0.50 0.60
assign (resid 19  and name HN and segid b) (resid 15  and name O and segid b)  2.00 0.50 0.50
assign (resid 19  and name N and segid b) (resid 15  and name O and segid b)  3.00 0.50 0.60
assign (resid 20  and name HN and segid b) (resid 16  and name O and segid b)  2.00 0.50 0.50
assign (resid 20  and name N and segid b) (resid 16  and name O and segid b)  3.00 0.50 0.60
assign (resid 21  and name HN and segid b) (resid 17  and name O and segid b)  2.00 0.50 0.50
assign (resid 21  and name N and segid b) (resid 17  and name O and segid b)  3.00 0.50 0.60
assign (resid 32  and name HN and segid b) (resid 50  and name O and segid b)  2.00 0.50 0.50
assign (resid 32  and name N and segid b) (resid 50  and name O and segid b)  3.00 0.50 0.60
assign (resid 35  and name HN and segid b) (resid 48  and name O and segid b)  2.00 0.50 0.50
assign (resid 35  and name N and segid b) (resid 48  and name O and segid b)  3.00 0.50 0.60
assign (resid 48  and name HN and segid b) (resid 35  and name O and segid b)  2.00 0.50 0.50
assign (resid 48  and name N and segid b) (resid 35  and name O and segid b)  3.00 0.50 0.60
assign (resid 49  and name HN and segid b) (resid 7  and name O and segid b)  2.00 0.50 0.50
assign (resid 49  and name N and segid b) (resid 7  and name O and segid b)  3.00 0.50 0.60
assign (resid 51  and name HN and segid b) (resid 5  and name O and segid b)  2.00 0.50 0.50
assign (resid 51  and name N and segid b) (resid 5  and name O and segid b)  3.00 0.50 0.60
assign (resid 52  and name HN and segid b) (resid 30  and name O and segid b)  2.00 0.50 0.50
assign (resid 52  and name N and segid b) (resid 30  and name O and segid b)  3.00 0.50 0.60
assign (resid 53  and name HN and segid b) (resid 3  and name O and segid b)  2.00 0.50 0.50
assign (resid 53  and name N and segid b) (resid 3  and name O and segid b)  3.00 0.50 0.60
assign (resid 60  and name HN and segid b) (resid 56  and name O and segid b)  2.00 0.50 0.50
assign (resid 60  and name N and segid b) (resid 56  and name O and segid b)  3.00 0.50 0.60
assign (resid 61  and name HN and segid b) (resid 57  and name O and segid b)  2.00 0.50 0.50
assign (resid 61  and name N and segid b) (resid 57  and name O and segid b)  3.00 0.50 0.60
assign (resid 62  and name HN and segid b) (resid 58  and name O and segid b)  2.00 0.50 0.50
assign (resid 62  and name N and segid b) (resid 58  and name O and segid b)  3.00 0.50 0.60
assign (resid 63  and name HN and segid b) (resid 59  and name O and segid b)  2.00 0.50 0.50
assign (resid 63  and name N and segid b) (resid 59  and name O and segid b)  3.00 0.50 0.60
assign (resid 64  and name HN and segid b) (resid 60  and name O and segid b)  2.00 0.50 0.50
assign (resid 64  and name N and segid b) (resid 60  and name O and segid b)  3.00 0.50 0.60
assign (resid 65  and name HN and segid b) (resid 61  and name O and segid b)  2.00 0.50 0.50
assign (resid 65  and name N and segid b) (resid 61  and name O and segid b)  3.00 0.50 0.60
assign (resid 73  and name HN and segid b) (resid 8  and name O and segid b)  2.00 0.50 0.50
assign (resid 73  and name N and segid b) (resid 8  and name O and segid b)  3.00 0.50 0.60
assign (resid 75  and name HN and segid b) (resid 6  and name O and segid b)  2.00 0.50 0.50
assign (resid 75  and name N and segid b) (resid 6  and name O and segid b)  3.00 0.50 0.60
assign (resid 77  and name HN and segid b) (resid 4  and name O and segid b)  2.00 0.50 0.50
assign (resid 77  and name N and segid b) (resid 4  and name O and segid b)  3.00 0.50 0.60
assign (resid 79  and name HN and segid b) (resid 2  and name O and segid b)  2.00 0.50 0.50
assign (resid 79  and name N and segid b) (resid 2  and name O and segid b)  3.00 0.50 0.60
assign (resid 2  and name HN and segid a) (resid 79  and name O and segid a)  2.00 0.50 0.50



! MONOMER A
assign (resid 2  and name N and segid a) (resid 79  and name O and segid a)  3.00 0.50 0.60
assign (resid 4  and name HN and segid a) (resid 77  and name O and segid a)  2.00 0.50 0.50
assign (resid 4  and name N and segid a) (resid 77  and name O and segid a)  3.00 0.50 0.60
assign (resid 5  and name HN and segid a) (resid 51  and name O and segid a)  2.00 0.50 0.50
assign (resid 5  and name N and segid a) (resid 51  and name O and segid a)  3.00 0.50 0.60
assign (resid 6  and name HN and segid a) (resid 75  and name O and segid a)  2.00 0.50 0.50
assign (resid 6  and name N and segid a) (resid 75  and name O and segid a)  3.00 0.50 0.60
assign (resid 8  and name HN and segid a) (resid 73  and name O and segid a)  2.00 0.50 0.50
assign (resid 8  and name N and segid a) (resid 73  and name O and segid a)  3.00 0.50 0.60
assign (resid 7  and name HN and segid a) (resid 49  and name O and segid a)  2.00 0.50 0.50
assign (resid 7  and name N and segid a) (resid 49  and name O and segid a)  3.00 0.50 0.60
assign (resid 9  and name HN and segid a) (resid 47  and name O and segid a)  2.00 0.50 0.50
assign (resid 9  and name N and segid a) (resid 47  and name O and segid a)  3.00 0.50 0.60
assign (resid 14  and name HN and segid a) (resid 10  and name O and segid a)  2.00 0.50 0.50
assign (resid 14  and name N and segid a) (resid 10  and name O and segid a)  3.00 0.50 0.60
assign (resid 15  and name HN and segid a) (resid 11  and name O and segid a)  2.00 0.50 0.50
assign (resid 15  and name N and segid a) (resid 11  and name O and segid a)  3.00 0.50 0.60
assign (resid 16  and name HN and segid a) (resid 12  and name O and segid a)  2.00 0.50 0.50
assign (resid 16  and name N and segid a) (resid 12  and name O and segid a)  3.00 0.50 0.60
assign (resid 17  and name HN and segid a) (resid 13  and name O and segid a)  2.00 0.50 0.50
assign (resid 17  and name N and segid a) (resid 13  and name O and segid a)  3.00 0.50 0.60
assign (resid 18  and name HN and segid a) (resid 14  and name O and segid a)  2.00 0.50 0.50
assign (resid 18  and name N and segid a) (resid 14  and name O and segid a)  3.00 0.50 0.60
assign (resid 19  and name HN and segid a) (resid 15  and name O and segid a)  2.00 0.50 0.50
assign (resid 19  and name N and segid a) (resid 15  and name O and segid a)  3.00 0.50 0.60
assign (resid 20  and name HN and segid a) (resid 16  and name O and segid a)  2.00 0.50 0.50
assign (resid 20  and name N and segid a) (resid 16  and name O and segid a)  3.00 0.50 0.60
assign (resid 21  and name HN and segid a) (resid 17  and name O and segid a)  2.00 0.50 0.50
assign (resid 21  and name N and segid a) (resid 17  and name O and segid a)  3.00 0.50 0.60
assign (resid 32  and name HN and segid a) (resid 50  and name O and segid a)  2.00 0.50 0.50
assign (resid 32  and name N and segid a) (resid 50  and name O and segid a)  3.00 0.50 0.60
assign (resid 35  and name HN and segid a) (resid 48  and name O and segid a)  2.00 0.50 0.50
assign (resid 35  and name N and segid a) (resid 48  and name O and segid a)  3.00 0.50 0.60
assign (resid 48  and name HN and segid a) (resid 35  and name O and segid a)  2.00 0.50 0.50
assign (resid 48  and name N and segid a) (resid 35  and name O and segid a)  3.00 0.50 0.60
assign (resid 49  and name HN and segid a) (resid 7  and name O and segid a)  2.00 0.50 0.50
assign (resid 49  and name N and segid a) (resid 7  and name O and segid a)  3.00 0.50 0.60
assign (resid 51  and name HN and segid a) (resid 5  and name O and segid a)  2.00 0.50 0.50
assign (resid 51  and name N and segid a) (resid 5  and name O and segid a)  3.00 0.50 0.60
assign (resid 52  and name HN and segid a) (resid 30  and name O and segid a)  2.00 0.50 0.50
assign (resid 52  and name N and segid a) (resid 30  and name O and segid a)  3.00 0.50 0.60
assign (resid 53  and name HN and segid a) (resid 3  and name O and segid a)  2.00 0.50 0.50
assign (resid 53  and name N and segid a) (resid 3  and name O and segid a)  3.00 0.50 0.60
assign (resid 60  and name HN and segid a) (resid 56  and name O and segid a)  2.00 0.50 0.50
assign (resid 60  and name N and segid a) (resid 56  and name O and segid a)  3.00 0.50 0.60
assign (resid 61  and name HN and segid a) (resid 57  and name O and segid a)  2.00 0.50 0.50
assign (resid 61  and name N and segid a) (resid 57  and name O and segid a)  3.00 0.50 0.60
assign (resid 62  and name HN and segid a) (resid 58  and name O and segid a)  2.00 0.50 0.50
assign (resid 62  and name N and segid a) (resid 58  and name O and segid a)  3.00 0.50 0.60
assign (resid 63  and name HN and segid a) (resid 59  and name O and segid a)  2.00 0.50 0.50
assign (resid 63  and name N and segid a) (resid 59  and name O and segid a)  3.00 0.50 0.60
assign (resid 64  and name HN and segid a) (resid 60  and name O and segid a)  2.00 0.50 0.50
assign (resid 64  and name N and segid a) (resid 60  and name O and segid a)  3.00 0.50 0.60
assign (resid 65  and name HN and segid a) (resid 61  and name O and segid a)  2.00 0.50 0.50
assign (resid 65  and name N and segid a) (resid 61  and name O and segid a)  3.00 0.50 0.60
assign (resid 73  and name HN and segid a) (resid 8  and name O and segid a)  2.00 0.50 0.50
assign (resid 73  and name N and segid a) (resid 8  and name O and segid a)  3.00 0.50 0.60
assign (resid 75  and name HN and segid a) (resid 6  and name O and segid a)  2.00 0.50 0.50
assign (resid 75  and name N and segid a) (resid 6  and name O and segid a)  3.00 0.50 0.60
assign (resid 77  and name HN and segid a) (resid 4  and name O and segid a)  2.00 0.50 0.50
assign (resid 77  and name N and segid a) (resid 4  and name O and segid a)  3.00 0.50 0.60
assign (resid 79  and name HN and segid a) (resid 2  and name O and segid a)  2.00 0.50 0.50
assign (resid 79  and name N and segid a) (resid 2  and name O and segid a)  3.00 0.50 0.60


!INTERMONOMER H-BONDS 
assign (resid 33 and name N and segid a) (resid 36  and name O and segid b)  3.00 0.50 0.60
assign (resid 33 and name HN and segid a) (resid 36  and name O and segid b)  2.00 0.50 0.50
assign (resid 78 and name N and segid a) (resid 78  and name O and segid b)  3.00 0.50 0.60
assign (resid 78 and name HN and segid a) (resid 78  and name O and segid b)  2.00 0.50 0.50
assign (resid 80 and name N and segid a) (resid 76  and name O and segid b)  3.00 0.50 0.60
assign (resid 80 and name HN and segid a) (resid 76  and name O and segid b)  2.00 0.50 0.50

assign (resid 33 and name N and segid b) (resid 36  and name O and segid a)  3.00 0.50 0.60
assign (resid 33 and name HN and segid b) (resid 36  and name O and segid a)  2.00 0.50 0.50
assign (resid 78 and name N and segid b) (resid 78  and name O and segid a)  3.00 0.50 0.60
assign (resid 78 and name HN and segid b) (resid 78  and name O and segid a)  2.00 0.50 0.50
assign (resid 80 and name N and segid b) (resid 76  and name O and segid a)  3.00 0.50 0.60
assign (resid 80 and name HN and segid b) (resid 76  and name O and segid a)  2.00 0.50 0.50


!H-N RESIDUAL DIPOLAR COUPLINGS
!MONOMER A
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N and segid A   )
       ( resid 4    and name HN and segid A  )  -27.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N and segid A   )
       ( resid 6    and name HN and segid A  )  4.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X       
       ( resid 500  and name Y   )
       ( resid 7    and name N and segid A   )
       ( resid 7    and name HN and segid A  )  1.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N and segid A   )
      ( resid 8    and name HN and segid A  )  2.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N and segid A   )
       ( resid 9    and name HN and segid A  )  31.500  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N and segid A   )
       ( resid 11   and name HN and segid A  )  -20.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N and segid A   )
       ( resid 12   and name HN and segid A  )  -45.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N and segid A   )
       ( resid 17   and name HN and segid A  )  -25.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N and segid A   )
       ( resid 22   and name HN and segid A  )  -15.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N and segid A   )
       ( resid 26   and name HN and segid A  )  43.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N and segid A   )
       ( resid 28   and name HN and segid A  )  -42.000  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N and segid A   )
       ( resid 29   and name HN and segid A  )  -40.700  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N and segid A   )
       ( resid 30   and name HN and segid A  )  -21.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N and segid A   )
       ( resid 31   and name HN and segid A  )  -22.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N and segid A   )
       ( resid 34   and name HN and segid A  )  -3.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N and segid A   )
       ( resid 35   and name HN and segid A  )  19.900  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N and segid A   )
       ( resid 50   and name HN and segid A  )  11.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N and segid A   )
       ( resid 51   and name HN and segid A  )  -32.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N and segid A   )
       ( resid 52   and name HN and segid A  )  -20.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N and segid A   )
       ( resid 53   and name HN and segid A  )  -0.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N and segid A   )
       ( resid 54   and name HN and segid A  )  36.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N and segid A   )
       ( resid 55   and name HN and segid A  )  9.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N and segid A   )
       ( resid 56   and name HN and segid A  )  15.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N and segid A   )
       ( resid 58   and name HN and segid A  )  36.500  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N and segid A   )
       ( resid 62   and name HN and segid A  )  29.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N and segid A   )
       ( resid 64   and name HN and segid A  )  -8.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N and segid A   )
       ( resid 65   and name HN and segid A  )  34.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N and segid A   )
       ( resid 66   and name HN and segid A  )  19.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N and segid A   )
       ( resid 67   and name HN and segid A  )  -20.900  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name N and segid A   )
       ( resid 68   and name HN and segid A  )  6.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N and segid A   )
       ( resid 70   and name HN and segid A  ) 34.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name N and segid A   )
       ( resid 71   and name HN and segid A  ) -19.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N and segid A   )
       ( resid 72   and name HN and segid A  ) 34.700  3.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N and segid A   )
       ( resid 74   and name HN and segid A  )  11.000  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N and segid A   )
       ( resid 75   and name HN and segid A  ) -15.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name N and segid A   )
       ( resid 76   and name HN and segid A  )  -29.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N and segid A   )
       ( resid 77   and name HN and segid A  )  -37.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N and segid A   )
       ( resid 78   and name HN and segid A  ) -32.200  3.000
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N and segid A   )
       ( resid 79   and name HN and segid A  ) -24.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N and segid A   )
       ( resid 80   and name HN and segid A  ) -40.200  3.000
 


!MOMOMER B
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 4    and name N and segid B   )
       ( resid 4    and name HN and segid B  )  -27.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 6    and name N and segid B   )
       ( resid 6    and name HN and segid B  )  4.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 7    and name N and segid B   )
       ( resid 7    and name HN and segid B  )  1.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 8    and name N and segid B   )
       ( resid 8    and name HN and segid B  )  2.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 9    and name N and segid B   )
       ( resid 9    and name HN and segid B  )  31.500  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 11   and name N and segid B   )
       ( resid 11   and name HN and segid B  )  -20.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 12   and name N and segid B   )
       ( resid 12   and name HN and segid B  )  -45.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 17   and name N and segid B   )
       ( resid 17   and name HN and segid B  )  -25.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 22   and name N and segid B   )
       ( resid 22   and name HN and segid B  )  -15.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 26   and name N and segid B   )
       ( resid 26   and name HN and segid B  )  43.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 28   and name N and segid B   )
       ( resid 28   and name HN and segid B  )  -42.000  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 29   and name N and segid B   )
       ( resid 29   and name HN and segid B  )  -40.700  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 30   and name N and segid B   )
       ( resid 30   and name HN and segid B  )  -21.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 31   and name N and segid B   )
       ( resid 31   and name HN and segid B  )  -22.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 34   and name N and segid B   )
       ( resid 34   and name HN and segid B  )  -3.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 35   and name N and segid B   )
       ( resid 35   and name HN and segid B  )  19.900  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 50   and name N and segid B   )
       ( resid 50   and name HN and segid B  )  11.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 51   and name N and segid B   )
       ( resid 51   and name HN and segid B  )  -32.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 52   and name N and segid B   )
       ( resid 52   and name HN and segid B  )  -20.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 53   and name N and segid B   )
       ( resid 53   and name HN and segid B  )  -0.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 54   and name N and segid B   )
       ( resid 54   and name HN and segid B  )  36.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 55   and name N and segid B   )
       ( resid 55   and name HN and segid B  )  9.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 56   and name N and segid B   )
       ( resid 56   and name HN and segid B  )  15.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 58   and name N and segid B   )
       ( resid 58   and name HN and segid B  )  36.500  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 62   and name N and segid B   )
       ( resid 62   and name HN and segid B  )  29.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 64   and name N and segid B   )
       ( resid 64   and name HN and segid B  )  -8.200  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 65   and name N and segid B   )
       ( resid 65   and name HN and segid B  )  34.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 66   and name N and segid B   )
       ( resid 66   and name HN and segid B  )  19.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 67   and name N and segid B   )
       ( resid 67   and name HN and segid B  )  -20.900  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 68   and name N and segid B   )
       ( resid 68   and name HN and segid B  )  6.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 70   and name N and segid B   )
       ( resid 70   and name HN and segid B  ) 34.300  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 71   and name N and segid B   )
       ( resid 71   and name HN and segid B  ) -19.800  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 72   and name N and segid B   )
       ( resid 72   and name HN and segid B  ) 34.700  3.000


assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 74   and name N and segid B   )
       ( resid 74   and name HN and segid B  )  11.000  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 75   and name N and segid B   )
       ( resid 75   and name HN and segid B  ) -15.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 76   and name N and segid B   )
       ( resid 76   and name HN and segid B  )  -29.100  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 77   and name N and segid B   )
       ( resid 77   and name HN and segid B  )  -37.600  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 78   and name N and segid B   )
       ( resid 78   and name HN and segid B  ) -32.200  3.000
 
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 79   and name N and segid B   )
       ( resid 79   and name HN and segid B  ) -24.400  3.000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name X   )
       ( resid 500  and name Y   )
       ( resid 80   and name N and segid B   )
       ( resid 80   and name HN and segid B  ) -40.200  3.000
 

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1HT       MET   1  33.538  -2.576  -9.964
    2   2H    MET   1          2HT       MET   1  33.744  -0.943 -10.384
    3   3H    MET   1          3HT       MET   1  32.285  -1.737 -10.739
    4    HA   MET   1           HA       MET   1  31.999  -2.071  -8.261
    5   1HB   MET   1          1HB       MET   1  34.343  -0.156  -8.450
    6   2HB   MET   1          2HB       MET   1  33.414  -0.400  -6.971
    7   1HG   MET   1          1HG       MET   1  33.957  -2.807  -7.023
    8   2HG   MET   1          2HG       MET   1  34.890  -2.565  -8.499
    9   1HE   MET   1          1HE       MET   1  34.209  -1.809  -5.013
   10   2HE   MET   1          2HE       MET   1  35.740  -1.457  -4.216
   11   3HE   MET   1          3HE       MET   1  34.870  -0.177  -5.073
   12    H    THR   2           H        THR   2  30.862  -0.262  -7.048
   13    HA   THR   2           HA       THR   2  30.252   2.161  -8.648
   14    HB   THR   2           HB       THR   2  27.787   1.561  -8.456
   15    HG1  THR   2           HG1      THR   2  27.316  -0.188  -7.427
   16   1HG2  THR   2          1HG2      THR   2  27.813   0.332 -10.458
   17   2HG2  THR   2          2HG2      THR   2  29.277  -0.542 -10.010
   18   3HG2  THR   2          3HG2      THR   2  29.372   1.156 -10.477
   19    HA   PRO   3           HA       PRO   3  30.070   3.285  -4.314
   20   1HB   PRO   3          1HB       PRO   3  30.152   5.998  -4.623
   21   2HB   PRO   3          2HB       PRO   3  31.599   4.974  -4.713
   22   1HG   PRO   3          1HG       PRO   3  29.981   6.160  -6.907
   23   2HG   PRO   3          2HG       PRO   3  31.736   5.968  -6.773
   24   1HD   PRO   3          1HD       PRO   3  30.166   4.328  -8.268
   25   2HD   PRO   3          2HD       PRO   3  31.692   3.809  -7.522
   26    H    ILE   4           H        ILE   4  28.341   3.945  -2.980
   27    HA   ILE   4           HA       ILE   4  25.939   5.112  -4.335
   28    HB   ILE   4           HB       ILE   4  24.577   3.420  -3.122
   29   1HG1  ILE   4          1HG1      ILE   4  27.232   2.138  -2.411
   30   2HG1  ILE   4          2HG1      ILE   4  26.290   3.104  -1.276
   31   1HG2  ILE   4          1HG2      ILE   4  25.679   3.075  -5.455
   32   2HG2  ILE   4          2HG2      ILE   4  24.998   1.670  -4.635
   33   3HG2  ILE   4          3HG2      ILE   4  26.740   1.946  -4.613
   34   1HD1  ILE   4          1HD1      ILE   4  24.329   1.547  -1.799
   35   2HD1  ILE   4          2HD1      ILE   4  25.651   0.842  -0.869
   36   3HD1  ILE   4          3HD1      ILE   4  25.504   0.499  -2.593
   37    H    VAL   5           H        VAL   5  24.386   6.048  -2.776
   38    HA   VAL   5           HA       VAL   5  25.655   6.872  -0.186
   39    HB   VAL   5           HB       VAL   5  24.059   8.449  -2.235
   40   1HG1  VAL   5          1HG1      VAL   5  23.481   9.032   0.163
   41   2HG1  VAL   5          2HG1      VAL   5  24.181  10.357  -0.764
   42   3HG1  VAL   5          3HG1      VAL   5  25.173   9.471   0.392
   43   1HG2  VAL   5          1HG2      VAL   5  26.815   9.017  -1.134
   44   2HG2  VAL   5          2HG2      VAL   5  26.069   9.664  -2.596
   45   3HG2  VAL   5          3HG2      VAL   5  26.570   7.974  -2.535
   46    H    HIS   6           H        HIS   6  24.059   7.346   1.523
   47    HA   HIS   6           HA       HIS   6  21.386   6.058   1.059
   48   1HB   HIS   6          1HB       HIS   6  23.429   5.792   3.262
   49   2HB   HIS   6          2HB       HIS   6  21.734   5.405   3.557
   50    HD1  HIS   6           HD1      HIS   6  20.937   4.035   0.972
   51    HD2  HIS   6           HD2      HIS   6  24.578   3.301   2.864
   52    HE1  HIS   6           HE1      HIS   6  21.721   1.767   0.162
   53    H    LEU   7           H        LEU   7  19.767   7.512   1.408
   54    HA   LEU   7           HA       LEU   7  20.286   9.841   3.225
   55   1HB   LEU   7          1HB       LEU   7  18.904   9.382   0.646
   56   2HB   LEU   7          2HB       LEU   7  18.057  10.454   1.762
   57    HG   LEU   7           HG       LEU   7  20.445  11.544   2.043
   58   1HD1  LEU   7          1HD1      LEU   7  21.559   9.804   0.645
   59   2HD1  LEU   7          2HD1      LEU   7  21.778  11.430  -0.003
   60   3HD1  LEU   7          3HD1      LEU   7  20.602  10.340  -0.737
   61   1HD2  LEU   7          1HD2      LEU   7  18.276  12.467   0.981
   62   2HD2  LEU   7          2HD2      LEU   7  19.001  12.030  -0.566
   63   3HD2  LEU   7          3HD2      LEU   7  19.796  13.206   0.480
   64    H    LYS   8           H        LYS   8  19.480   9.257   5.231
   65    HA   LYS   8           HA       LYS   8  16.811   7.902   5.348
   66   1HB   LYS   8          1HB       LYS   8  18.758   6.759   6.371
   67   2HB   LYS   8          2HB       LYS   8  19.048   8.173   7.385
   68   1HG   LYS   8          1HG       LYS   8  16.929   7.884   8.513
   69   2HG   LYS   8          2HG       LYS   8  16.454   6.606   7.394
   70   1HD   LYS   8          1HD       LYS   8  17.218   5.513   9.388
   71   2HD   LYS   8          2HD       LYS   8  18.493   5.311   8.187
   72   1HE   LYS   8          1HE       LYS   8  19.792   7.116   9.166
   73   2HE   LYS   8          2HE       LYS   8  18.468   7.515  10.280
   74   1HZ   LYS   8          1HZ       LYS   8  19.963   6.094  11.443
   75   2HZ   LYS   8          2HZ       LYS   8  20.016   4.983  10.159
   76   3HZ   LYS   8          3HZ       LYS   8  18.592   5.169  11.067
   77    H    GLY   9           H        GLY   9  15.133   8.905   6.460
   78   1HA   GLY   9          1HA       GLY   9  15.240  10.850   8.452
   79   2HA   GLY   9          2HA       GLY   9  15.311  11.757   6.941
   80    H    ASP  10           H        ASP  10  13.218  12.674   7.289
   81    HA   ASP  10           HA       ASP  10  10.868  10.969   7.675
   82   1HB   ASP  10          1HB       ASP  10  11.341  13.898   7.056
   83   2HB   ASP  10          2HB       ASP  10   9.732  13.219   7.299
   84    H    ALA  11           H        ALA  11   9.652  10.063   6.056
   85    HA   ALA  11           HA       ALA  11  10.490  10.049   3.319
   86   1HB   ALA  11          1HB       ALA  11   7.645   9.499   3.962
   87   2HB   ALA  11          2HB       ALA  11   8.831   8.474   3.155
   88   3HB   ALA  11          3HB       ALA  11   8.825   8.598   4.914
   89    H    ASN  12           H        ASN  12   8.209  12.087   5.083
   90    HA   ASN  12           HA       ASN  12   6.794  13.238   2.887
   91   1HB   ASN  12          1HB       ASN  12   6.214  13.441   5.293
   92   2HB   ASN  12          2HB       ASN  12   7.638  14.452   5.542
   93   1HD2  ASN  12          1HD2      ASN  12   4.644  14.334   3.531
   94   2HD2  ASN  12          2HD2      ASN  12   4.448  16.019   3.465
   95    H    THR  13           H        THR  13   9.809  14.272   4.502
   96    HA   THR  13           HA       THR  13  10.231  16.559   2.752
   97    HB   THR  13           HB       THR  13  12.392  16.653   3.923
   98    HG1  THR  13           HG1      THR  13  11.681  14.186   5.110
   99   1HG2  THR  13          1HG2      THR  13  10.280  15.738   5.887
  100   2HG2  THR  13          2HG2      THR  13  10.241  17.314   5.095
  101   3HG2  THR  13          3HG2      THR  13  11.579  16.898   6.166
  102    H    LEU  14           H        LEU  14  11.429  13.215   2.878
  103    HA   LEU  14           HA       LEU  14  13.405  13.383   0.826
  104   1HB   LEU  14          1HB       LEU  14  11.589  11.162   1.809
  105   2HB   LEU  14          2HB       LEU  14  12.916  10.889   0.679
  106    HG   LEU  14           HG       LEU  14  13.280  12.223   3.372
  107   1HD1  LEU  14          1HD1      LEU  14  13.642   9.325   2.557
  108   2HD1  LEU  14          2HD1      LEU  14  12.522   9.949   3.768
  109   3HD1  LEU  14          3HD1      LEU  14  14.260  10.017   4.057
  110   1HD2  LEU  14          1HD2      LEU  14  15.104  11.197   1.197
  111   2HD2  LEU  14          2HD2      LEU  14  15.678  11.380   2.854
  112   3HD2  LEU  14          3HD2      LEU  14  15.095  12.786   1.964
  113    H    LYS  15           H        LYS  15   9.918  12.630   0.650
  114    HA   LYS  15           HA       LYS  15   9.769  12.065  -2.145
  115   1HB   LYS  15          1HB       LYS  15   8.040  11.678  -0.342
  116   2HB   LYS  15          2HB       LYS  15   7.695  13.408  -0.382
  117   1HG   LYS  15          1HG       LYS  15   7.696  12.046  -3.017
  118   2HG   LYS  15          2HG       LYS  15   6.391  11.587  -1.924
  119   1HD   LYS  15          1HD       LYS  15   6.974  14.496  -2.141
  120   2HD   LYS  15          2HD       LYS  15   6.229  13.733  -3.547
  121   1HE   LYS  15          1HE       LYS  15   4.401  12.870  -2.142
  122   2HE   LYS  15          2HE       LYS  15   5.157  13.587  -0.704
  123   1HZ   LYS  15          1HZ       LYS  15   3.509  15.092  -1.636
  124   2HZ   LYS  15          2HZ       LYS  15   4.299  15.064  -3.139
  125   3HZ   LYS  15          3HZ       LYS  15   5.063  15.753  -1.787
  126    H    CYS  16           H        CYS  16   9.498  15.137  -0.360
  127    HA   CYS  16           HA       CYS  16   8.874  16.772  -2.665
  128   1HB   CYS  16          1HB       CYS  16   8.474  17.279  -0.219
  129   2HB   CYS  16          2HB       CYS  16  10.210  17.545  -0.052
  130    HG   CYS  16           HG       CYS  16   9.698  19.854  -0.798
  131    H    LEU  17           H        LEU  17  11.889  15.782  -1.083
  132    HA   LEU  17           HA       LEU  17  13.640  17.570  -2.530
  133   1HB   LEU  17          1HB       LEU  17  14.004  14.931  -1.082
  134   2HB   LEU  17          2HB       LEU  17  15.356  15.867  -1.722
  135    HG   LEU  17           HG       LEU  17  13.305  17.015   0.186
  136   1HD1  LEU  17          1HD1      LEU  17  15.841  15.489   0.664
  137   2HD1  LEU  17          2HD1      LEU  17  14.332  15.460   1.576
  138   3HD1  LEU  17          3HD1      LEU  17  15.438  16.824   1.744
  139   1HD2  LEU  17          1HD2      LEU  17  15.358  18.587   0.532
  140   2HD2  LEU  17          2HD2      LEU  17  14.384  18.789  -0.925
  141   3HD2  LEU  17          3HD2      LEU  17  15.921  17.926  -1.003
  142    H    ARG  18           H        ARG  18  12.501  14.245  -3.102
  143    HA   ARG  18           HA       ARG  18  14.165  13.593  -5.326
  144   1HB   ARG  18          1HB       ARG  18  11.349  12.808  -4.522
  145   2HB   ARG  18          2HB       ARG  18  12.221  12.028  -5.840
  146   1HG   ARG  18          1HG       ARG  18  13.312  12.234  -3.022
  147   2HG   ARG  18          2HG       ARG  18  12.399  10.844  -3.606
  148   1HD   ARG  18          1HD       ARG  18  14.995  11.878  -4.811
  149   2HD   ARG  18          2HD       ARG  18  14.814  10.410  -3.835
  150    HE   ARG  18           HE       ARG  18  13.206   9.609  -5.632
  151   1HH1  ARG  18          1HH1      ARG  18  16.256  10.482  -6.334
  152   2HH1  ARG  18          2HH1      ARG  18  15.998  10.904  -7.994
  153   1HH2  ARG  18          1HH2      ARG  18  12.540  10.843  -7.747
  154   2HH2  ARG  18          2HH2      ARG  18  13.894  11.109  -8.794
  155    H    TYR  19           H        TYR  19  11.036  15.282  -5.162
  156    HA   TYR  19           HA       TYR  19  10.528  15.498  -7.965
  157   1HB   TYR  19          1HB       TYR  19   8.927  15.975  -6.125
  158   2HB   TYR  19          2HB       TYR  19   9.870  17.398  -5.685
  159    HD1  TYR  19           HD1      TYR  19   9.895  19.390  -7.105
  160    HD2  TYR  19           HD2      TYR  19   7.596  15.924  -8.178
  161    HE1  TYR  19           HE1      TYR  19   8.672  20.726  -8.799
  162    HE2  TYR  19           HE2      TYR  19   6.372  17.260  -9.871
  163    HH   TYR  19           HH       TYR  19   6.192  20.440  -9.922
  164    H    ARG  20           H        ARG  20  12.389  17.573  -5.747
  165    HA   ARG  20           HA       ARG  20  12.975  19.647  -7.671
  166   1HB   ARG  20          1HB       ARG  20  13.076  19.870  -5.198
  167   2HB   ARG  20          2HB       ARG  20  14.448  18.761  -5.167
  168   1HG   ARG  20          1HG       ARG  20  15.740  20.314  -6.585
  169   2HG   ARG  20          2HG       ARG  20  14.371  21.425  -6.616
  170   1HD   ARG  20          1HD       ARG  20  15.487  20.519  -3.967
  171   2HD   ARG  20          2HD       ARG  20  16.266  21.843  -4.856
  172    HE   ARG  20           HE       ARG  20  14.229  23.128  -4.669
  173   1HH1  ARG  20          1HH1      ARG  20  14.542  21.795  -1.894
  174   2HH1  ARG  20          2HH1      ARG  20  12.903  21.320  -1.593
  175   1HH2  ARG  20          1HH2      ARG  20  11.898  21.740  -4.885
  176   2HH2  ARG  20          2HH2      ARG  20  11.407  21.288  -3.286
  177    H    PHE  21           H        PHE  21  14.505  16.563  -6.877
  178    HA   PHE  21           HA       PHE  21  16.973  17.123  -8.338
  179   1HB   PHE  21          1HB       PHE  21  15.691  14.621  -7.205
  180   2HB   PHE  21          2HB       PHE  21  17.304  14.652  -7.912
  181    HD1  PHE  21           HD1      PHE  21  18.397  17.220  -6.965
  182    HD2  PHE  21           HD2      PHE  21  15.983  14.326  -4.899
  183    HE1  PHE  21           HE1      PHE  21  19.317  17.997  -4.802
  184    HE2  PHE  21           HE2      PHE  21  16.906  15.106  -2.734
  185    HZ   PHE  21           HZ       PHE  21  18.573  16.941  -2.685
  186    H    LYS  22           H        LYS  22  13.802  16.229  -9.317
  187    HA   LYS  22           HA       LYS  22  14.205  14.424 -11.449
  188   1HB   LYS  22          1HB       LYS  22  12.311  16.738 -10.993
  189   2HB   LYS  22          2HB       LYS  22  12.160  15.675 -12.392
  190   1HG   LYS  22          1HG       LYS  22  11.984  13.722 -10.894
  191   2HG   LYS  22          2HG       LYS  22  12.131  14.783  -9.493
  192   1HD   LYS  22          1HD       LYS  22  10.065  15.911 -10.046
  193   2HD   LYS  22          2HD       LYS  22   9.953  15.051 -11.582
  194   1HE   LYS  22          1HE       LYS  22   9.919  12.884 -10.197
  195   2HE   LYS  22          2HE       LYS  22   9.618  13.926  -8.792
  196   1HZ   LYS  22          1HZ       LYS  22   8.055  14.035 -11.315
  197   2HZ   LYS  22          2HZ       LYS  22   7.733  14.883  -9.879
  198   3HZ   LYS  22          3HZ       LYS  22   7.555  13.194  -9.930
  199    H    LYS  23           H        LYS  23  14.506  17.985 -11.457
  200    HA   LYS  23           HA       LYS  23  15.059  18.266 -14.262
  201   1HB   LYS  23          1HB       LYS  23  15.819  20.507 -13.579
  202   2HB   LYS  23          2HB       LYS  23  14.348  20.075 -12.711
  203   1HG   LYS  23          1HG       LYS  23  15.831  19.285 -10.806
  204   2HG   LYS  23          2HG       LYS  23  17.190  20.010 -11.661
  205   1HD   LYS  23          1HD       LYS  23  15.893  22.182 -11.690
  206   2HD   LYS  23          2HD       LYS  23  14.724  21.419 -10.611
  207   1HE   LYS  23          1HE       LYS  23  16.674  20.900  -9.049
  208   2HE   LYS  23          2HE       LYS  23  17.653  21.980 -10.061
  209   1HZ   LYS  23          1HZ       LYS  23  15.059  22.693  -8.795
  210   2HZ   LYS  23          2HZ       LYS  23  16.014  23.719  -9.755
  211   3HZ   LYS  23          3HZ       LYS  23  16.583  23.193  -8.243
  212    H    HIS  24           H        HIS  24  17.071  17.387 -11.520
  213    HA   HIS  24           HA       HIS  24  19.580  17.681 -13.071
  214   1HB   HIS  24          1HB       HIS  24  18.839  16.897 -10.240
  215   2HB   HIS  24          2HB       HIS  24  20.501  16.846 -10.829
  216    HD1  HIS  24           HD1      HIS  24  19.394  18.862  -8.609
  217    HD2  HIS  24           HD2      HIS  24  20.037  19.765 -12.627
  218    HE1  HIS  24           HE1      HIS  24  19.694  21.373  -8.739
  219    H    CYS  25           H        CYS  25  17.965  15.836 -14.323
  220    HA   CYS  25           HA       CYS  25  18.142  13.123 -13.452
  221   1HB   CYS  25          1HB       CYS  25  16.700  14.099 -15.267
  222   2HB   CYS  25          2HB       CYS  25  18.138  14.220 -16.282
  223    HG   CYS  25           HG       CYS  25  18.315  11.631 -16.308
  224    H    THR  26           H        THR  26  20.536  15.225 -14.903
  225    HA   THR  26           HA       THR  26  22.305  12.973 -15.659
  226    HB   THR  26           HB       THR  26  23.724  14.932 -16.436
  227    HG1  THR  26           HG1      THR  26  23.096  16.882 -15.961
  228   1HG2  THR  26          1HG2      THR  26  22.093  13.768 -17.906
  229   2HG2  THR  26          2HG2      THR  26  22.238  15.481 -18.299
  230   3HG2  THR  26          3HG2      THR  26  20.846  14.901 -17.386
  231    H    LEU  27           H        LEU  27  21.629  13.743 -12.735
  232    HA   LEU  27           HA       LEU  27  24.428  14.287 -11.806
  233   1HB   LEU  27          1HB       LEU  27  21.683  15.006 -10.876
  234   2HB   LEU  27          2HB       LEU  27  22.924  14.778  -9.644
  235    HG   LEU  27           HG       LEU  27  24.390  16.324 -11.105
  236   1HD1  LEU  27          1HD1      LEU  27  23.343  16.635 -13.131
  237   2HD1  LEU  27          2HD1      LEU  27  22.628  17.990 -12.257
  238   3HD1  LEU  27          3HD1      LEU  27  21.728  16.484 -12.438
  239   1HD2  LEU  27          1HD2      LEU  27  23.670  17.208  -9.043
  240   2HD2  LEU  27          2HD2      LEU  27  21.971  17.167  -9.514
  241   3HD2  LEU  27          3HD2      LEU  27  23.050  18.374 -10.212
  242    H    TYR  28           H        TYR  28  22.685  11.638 -12.407
  243    HA   TYR  28           HA       TYR  28  23.985  10.056 -10.325
  244   1HB   TYR  28          1HB       TYR  28  21.846   9.275  -9.319
  245   2HB   TYR  28          2HB       TYR  28  22.078  11.008  -9.099
  246    HD1  TYR  28           HD1      TYR  28  20.700  12.630 -10.285
  247    HD2  TYR  28           HD2      TYR  28  20.193   8.413 -10.924
  248    HE1  TYR  28           HE1      TYR  28  18.549  13.064 -11.442
  249    HE2  TYR  28           HE2      TYR  28  18.043   8.847 -12.081
  250    HH   TYR  28           HH       TYR  28  17.035  10.893 -13.378
  251    H    THR  29           H        THR  29  23.680   7.735 -10.701
  252    HA   THR  29           HA       THR  29  23.267   7.089 -13.538
  253    HB   THR  29           HB       THR  29  23.889   5.375 -11.109
  254    HG1  THR  29           HG1      THR  29  25.459   6.931 -11.427
  255   1HG2  THR  29          1HG2      THR  29  24.959   3.944 -12.973
  256   2HG2  THR  29          2HG2      THR  29  23.965   4.886 -14.085
  257   3HG2  THR  29          3HG2      THR  29  23.201   3.908 -12.832
  258    H    ALA  30           H        ALA  30  21.673   6.337 -10.435
  259    HA   ALA  30           HA       ALA  30  19.086   5.966 -11.731
  260   1HB   ALA  30          1HB       ALA  30  18.935   3.546 -11.227
  261   2HB   ALA  30          2HB       ALA  30  20.268   3.880 -12.332
  262   3HB   ALA  30          3HB       ALA  30  20.592   3.573 -10.626
  263    H    VAL  31           H        VAL  31  17.394   5.441 -10.109
  264    HA   VAL  31           HA       VAL  31  18.262   5.947  -7.280
  265    HB   VAL  31           HB       VAL  31  15.870   7.057  -8.792
  266   1HG1  VAL  31          1HG1      VAL  31  16.859   7.684  -5.993
  267   2HG1  VAL  31          2HG1      VAL  31  15.487   6.635  -6.350
  268   3HG1  VAL  31          3HG1      VAL  31  15.424   8.346  -6.776
  269   1HG2  VAL  31          1HG2      VAL  31  17.296   9.215  -7.995
  270   2HG2  VAL  31          2HG2      VAL  31  17.537   8.438  -9.560
  271   3HG2  VAL  31          3HG2      VAL  31  18.611   8.060  -8.214
  272    H    SER  32           H        SER  32  17.428   4.469  -5.845
  273    HA   SER  32           HA       SER  32  15.626   2.352  -6.833
  274   1HB   SER  32          1HB       SER  32  16.736   2.753  -4.049
  275   2HB   SER  32          2HB       SER  32  16.294   1.238  -4.830
  276    HG   SER  32           HG       SER  32  18.521   2.906  -5.250
  277    H    SER  33           H        SER  33  13.889   1.664  -5.071
  278    HA   SER  33           HA       SER  33  11.995   3.866  -4.829
  279   1HB   SER  33          1HB       SER  33  10.505   2.141  -4.159
  280   2HB   SER  33          2HB       SER  33  11.614   1.343  -5.269
  281    HG   SER  33           HG       SER  33  11.396   1.166  -2.483
  282    H    THR  34           H        THR  34  10.813   3.323  -2.322
  283    HA   THR  34           HA       THR  34  12.883   4.456  -0.484
  284    HB   THR  34           HB       THR  34   9.851   4.512  -0.387
  285    HG1  THR  34           HG1      THR  34   9.987   6.225  -1.592
  286   1HG2  THR  34          1HG2      THR  34  10.837   4.821   1.814
  287   2HG2  THR  34          2HG2      THR  34  10.260   6.380   1.224
  288   3HG2  THR  34          3HG2      THR  34  11.981   6.000   1.172
  289    H    TRP  35           H        TRP  35  13.482   3.302   1.296
  290    HA   TRP  35           HA       TRP  35  11.710   1.106   2.282
  291   1HB   TRP  35          1HB       TRP  35  13.871  -0.235   2.585
  292   2HB   TRP  35          2HB       TRP  35  13.323  -0.030   0.929
  293    HD1  TRP  35           HD1      TRP  35  14.724   1.583  -0.650
  294    HE1  TRP  35           HE1      TRP  35  17.131   2.497  -0.477
  295    HE3  TRP  35           HE3      TRP  35  15.704   0.573   4.260
  296    HZ2  TRP  35           HZ2      TRP  35  19.198   2.760   1.484
  297    HZ3  TRP  35           HZ3      TRP  35  17.896   1.163   5.253
  298    HH2  TRP  35           HH2      TRP  35  19.643   2.254   3.873
  299    H    HIS  36           H        HIS  36  12.283   0.467   4.536
  300    HA   HIS  36           HA       HIS  36  13.854   2.508   6.043
  301   1HB   HIS  36          1HB       HIS  36  11.919   2.774   7.591
  302   2HB   HIS  36          2HB       HIS  36  11.528   3.281   5.949
  303    HD1  HIS  36           HD1      HIS  36  11.189   0.170   8.138
  304    HD2  HIS  36           HD2      HIS  36   9.283   2.026   4.928
  305    HE1  HIS  36           HE1      HIS  36   9.104  -1.186   7.662
  306    H    TRP  37           H        TRP  37  14.277   1.806   8.294
  307    HA   TRP  37           HA       TRP  37  15.117  -0.944   8.473
  308   1HB   TRP  37          1HB       TRP  37  14.798   1.343  10.432
  309   2HB   TRP  37          2HB       TRP  37  15.477  -0.213  10.909
  310    HD1  TRP  37           HD1      TRP  37  16.620   3.012   9.894
  311    HE1  TRP  37           HE1      TRP  37  18.947   2.928   8.788
  312    HE3  TRP  37           HE3      TRP  37  16.956  -1.990   8.926
  313    HZ2  TRP  37           HZ2      TRP  37  20.718   0.993   7.647
  314    HZ3  TRP  37           HZ3      TRP  37  18.972  -2.927   7.833
  315    HH2  TRP  37           HH2      TRP  37  20.852  -1.443   7.193
  316    H    THR  38           H        THR  38  14.243  -2.632   9.788
  317    HA   THR  38           HA       THR  38  11.458  -2.205  10.811
  318    HB   THR  38           HB       THR  38  11.403  -3.265   8.595
  319    HG1  THR  38           HG1      THR  38  10.982  -5.139  10.679
  320   1HG2  THR  38          1HG2      THR  38  13.636  -4.810   9.750
  321   2HG2  THR  38          2HG2      THR  38  13.288  -4.418   8.067
  322   3HG2  THR  38          3HG2      THR  38  12.471  -5.774   8.843
  323    H    GLY  39           H        GLY  39  10.909  -3.547  12.621
  324   1HA   GLY  39          1HA       GLY  39  12.829  -5.486  13.673
  325   2HA   GLY  39          2HA       GLY  39  12.740  -3.999  14.618
  326    H    HIS  40           H        HIS  40  10.594  -3.394  15.479
  327    HA   HIS  40           HA       HIS  40   8.578  -5.577  15.585
  328   1HB   HIS  40          1HB       HIS  40   8.657  -5.521  18.076
  329   2HB   HIS  40          2HB       HIS  40  10.189  -6.044  17.380
  330    HD1  HIS  40           HD1      HIS  40   8.799  -3.636  19.710
  331    HD2  HIS  40           HD2      HIS  40  12.123  -3.741  17.196
  332    HE1  HIS  40           HE1      HIS  40  10.373  -1.830  20.529
  333    H    ASN  41           H        ASN  41   6.717  -4.723  17.159
  334    HA   ASN  41           HA       ASN  41   4.980  -3.146  17.419
  335   1HB   ASN  41          1HB       ASN  41   7.029  -2.238  18.720
  336   2HB   ASN  41          2HB       ASN  41   7.200  -1.098  17.385
  337   1HD2  ASN  41          1HD2      ASN  41   6.295   0.862  18.035
  338   2HD2  ASN  41          2HD2      ASN  41   4.818   1.027  18.854
  339    H    VAL  42           H        VAL  42   6.091  -3.722  14.624
  340    HA   VAL  42           HA       VAL  42   5.778  -2.929  12.418
  341    HB   VAL  42           HB       VAL  42   3.604  -1.409  13.902
  342   1HG1  VAL  42          1HG1      VAL  42   4.116  -2.006  10.994
  343   2HG1  VAL  42          2HG1      VAL  42   3.640  -0.482  11.742
  344   3HG1  VAL  42          3HG1      VAL  42   2.468  -1.790  11.583
  345   1HG2  VAL  42          1HG2      VAL  42   2.270  -3.452  12.941
  346   2HG2  VAL  42          2HG2      VAL  42   3.219  -3.668  14.412
  347   3HG2  VAL  42          3HG2      VAL  42   3.854  -4.226  12.864
  348    H    LYS  43           H        LYS  43   7.760  -1.717  12.216
  349    HA   LYS  43           HA       LYS  43   7.541   1.224  12.759
  350   1HB   LYS  43          1HB       LYS  43   9.309  -0.085  13.932
  351   2HB   LYS  43          2HB       LYS  43   9.962  -0.565  12.365
  352   1HG   LYS  43          1HG       LYS  43  10.314   1.828  11.800
  353   2HG   LYS  43          2HG       LYS  43   9.725   2.275  13.401
  354   1HD   LYS  43          1HD       LYS  43  12.039   0.369  13.012
  355   2HD   LYS  43          2HD       LYS  43  12.268   2.113  13.142
  356   1HE   LYS  43          1HE       LYS  43  10.642   0.656  15.224
  357   2HE   LYS  43          2HE       LYS  43  12.414   0.694  15.332
  358   1HZ   LYS  43          1HZ       LYS  43  12.387   3.071  15.190
  359   2HZ   LYS  43          2HZ       LYS  43  11.331   2.611  16.439
  360   3HZ   LYS  43          3HZ       LYS  43  10.710   3.096  14.933
  361    H    HIS  44           H        HIS  44   6.760   2.082  10.829
  362    HA   HIS  44           HA       HIS  44   8.434   1.634   8.397
  363   1HB   HIS  44          1HB       HIS  44   6.336   1.394   7.080
  364   2HB   HIS  44          2HB       HIS  44   6.497   0.126   8.293
  365    HD1  HIS  44           HD1      HIS  44   4.121   2.530   7.068
  366    HD2  HIS  44           HD2      HIS  44   4.996   0.940  10.821
  367    HE1  HIS  44           HE1      HIS  44   2.099   2.979   8.525
  368    H    LYS  45           H        LYS  45   7.595   3.886  10.512
  369    HA   LYS  45           HA       LYS  45   6.379   5.968   8.889
  370   1HB   LYS  45          1HB       LYS  45   7.884   5.892  11.520
  371   2HB   LYS  45          2HB       LYS  45   7.146   7.361  10.879
  372   1HG   LYS  45          1HG       LYS  45   4.950   6.236  10.819
  373   2HG   LYS  45          2HG       LYS  45   5.685   4.767  11.463
  374   1HD   LYS  45          1HD       LYS  45   6.355   5.991  13.499
  375   2HD   LYS  45          2HD       LYS  45   5.617   7.460  12.858
  376   1HE   LYS  45          1HE       LYS  45   3.409   6.378  12.838
  377   2HE   LYS  45          2HE       LYS  45   4.132   4.867  13.424
  378   1HZ   LYS  45          1HZ       LYS  45   4.204   7.498  14.806
  379   2HZ   LYS  45          2HZ       LYS  45   4.998   6.094  15.342
  380   3HZ   LYS  45          3HZ       LYS  45   3.300   6.144  15.284
  381    H    SER  46           H        SER  46   9.699   5.052   9.730
  382    HA   SER  46           HA       SER  46  10.965   7.410   8.605
  383   1HB   SER  46          1HB       SER  46  11.909   4.615   9.305
  384   2HB   SER  46          2HB       SER  46  12.998   5.904   8.802
  385    HG   SER  46           HG       SER  46  12.411   5.501  11.186
  386    H    ALA  47           H        ALA  47  12.375   7.333   6.651
  387    HA   ALA  47           HA       ALA  47  11.706   5.260   4.628
  388   1HB   ALA  47          1HB       ALA  47  11.260   7.344   3.077
  389   2HB   ALA  47          2HB       ALA  47   9.980   6.767   4.144
  390   3HB   ALA  47          3HB       ALA  47  10.946   8.169   4.604
  391    H    ILE  48           H        ILE  48  13.451   4.892   3.278
  392    HA   ILE  48           HA       ILE  48  15.683   6.900   3.280
  393    HB   ILE  48           HB       ILE  48  15.840   3.868   3.448
  394   1HG1  ILE  48          1HG1      ILE  48  16.617   5.933   5.526
  395   2HG1  ILE  48          2HG1      ILE  48  15.065   5.095   5.532
  396   1HG2  ILE  48          1HG2      ILE  48  18.284   4.412   3.925
  397   2HG2  ILE  48          2HG2      ILE  48  17.940   6.047   3.361
  398   3HG2  ILE  48          3HG2      ILE  48  17.760   4.680   2.262
  399   1HD1  ILE  48          1HD1      ILE  48  17.692   3.603   5.453
  400   2HD1  ILE  48          2HD1      ILE  48  16.095   2.975   5.861
  401   3HD1  ILE  48          3HD1      ILE  48  16.923   4.065   6.972
  402    H    VAL  49           H        VAL  49  17.044   6.760   1.320
  403    HA   VAL  49           HA       VAL  49  15.759   5.329  -0.976
  404    HB   VAL  49           HB       VAL  49  15.035   7.685  -0.906
  405   1HG1  VAL  49          1HG1      VAL  49  16.619   9.510  -1.023
  406   2HG1  VAL  49          2HG1      VAL  49  17.973   8.388  -1.149
  407   3HG1  VAL  49          3HG1      VAL  49  17.058   8.500   0.354
  408   1HG2  VAL  49          1HG2      VAL  49  15.659   6.464  -3.091
  409   2HG2  VAL  49          2HG2      VAL  49  17.120   7.453  -3.080
  410   3HG2  VAL  49          3HG2      VAL  49  15.535   8.222  -3.162
  411    H    THR  50           H        THR  50  17.249   4.156  -2.100
  412    HA   THR  50           HA       THR  50  20.123   4.451  -1.482
  413    HB   THR  50           HB       THR  50  18.622   2.529  -3.290
  414    HG1  THR  50           HG1      THR  50  18.450   1.251  -1.519
  415   1HG2  THR  50          1HG2      THR  50  21.337   2.346  -1.954
  416   2HG2  THR  50          2HG2      THR  50  21.058   2.625  -3.673
  417   3HG2  THR  50          3HG2      THR  50  20.589   1.091  -2.942
  418    H    LEU  51           H        LEU  51  21.496   5.583  -2.787
  419    HA   LEU  51           HA       LEU  51  20.617   6.203  -5.593
  420   1HB   LEU  51          1HB       LEU  51  20.933   7.942  -3.535
  421   2HB   LEU  51          2HB       LEU  51  22.580   7.926  -4.160
  422    HG   LEU  51           HG       LEU  51  21.272   9.712  -5.229
  423   1HD1  LEU  51          1HD1      LEU  51  22.128   9.344  -7.325
  424   2HD1  LEU  51          2HD1      LEU  51  21.453   7.718  -7.431
  425   3HD1  LEU  51          3HD1      LEU  51  22.921   8.003  -6.496
  426   1HD2  LEU  51          1HD2      LEU  51  19.086   8.322  -4.959
  427   2HD2  LEU  51          2HD2      LEU  51  19.535   7.605  -6.506
  428   3HD2  LEU  51          3HD2      LEU  51  19.257   9.342  -6.387
  429    H    THR  52           H        THR  52  22.099   5.727  -7.214
  430    HA   THR  52           HA       THR  52  24.778   4.681  -6.352
  431    HB   THR  52           HB       THR  52  24.551   3.247  -8.389
  432    HG1  THR  52           HG1      THR  52  23.140   3.924  -9.768
  433   1HG2  THR  52          1HG2      THR  52  23.700   2.597  -6.068
  434   2HG2  THR  52          2HG2      THR  52  23.006   1.711  -7.426
  435   3HG2  THR  52          3HG2      THR  52  22.088   3.006  -6.656
  436    H    TYR  53           H        TYR  53  26.583   5.281  -7.658
  437    HA   TYR  53           HA       TYR  53  26.078   7.553  -9.555
  438   1HB   TYR  53          1HB       TYR  53  28.292   6.991  -7.562
  439   2HB   TYR  53          2HB       TYR  53  28.360   8.301  -8.743
  440    HD1  TYR  53           HD1      TYR  53  26.665   7.028  -5.725
  441    HD2  TYR  53           HD2      TYR  53  26.885  10.233  -8.579
  442    HE1  TYR  53           HE1      TYR  53  25.266   8.443  -4.249
  443    HE2  TYR  53           HE2      TYR  53  25.491  11.649  -7.096
  444    HH   TYR  53           HH       TYR  53  24.904  10.913  -3.874
  445    H    ASP  54           H        ASP  54  27.437   7.640 -11.426
  446    HA   ASP  54           HA       ASP  54  28.287   5.033 -12.452
  447   1HB   ASP  54          1HB       ASP  54  27.132   7.017 -13.647
  448   2HB   ASP  54          2HB       ASP  54  28.736   7.749 -13.696
  449    H    SER  55           H        SER  55  29.815   7.674 -10.808
  450    HA   SER  55           HA       SER  55  32.397   6.309 -10.824
  451   1HB   SER  55          1HB       SER  55  31.817   8.737 -12.512
  452   2HB   SER  55          2HB       SER  55  33.443   8.451 -11.899
  453    HG   SER  55           HG       SER  55  32.332   7.391 -14.016
  454    H    GLU  56           H        GLU  56  33.950   7.452  -9.414
  455    HA   GLU  56           HA       GLU  56  32.811   8.570  -7.054
  456   1HB   GLU  56          1HB       GLU  56  35.028   7.474  -7.247
  457   2HB   GLU  56          2HB       GLU  56  35.610   8.833  -8.210
  458   1HG   GLU  56          1HG       GLU  56  35.186  10.360  -6.315
  459   2HG   GLU  56          2HG       GLU  56  34.607   9.003  -5.351
  460    H    TRP  57           H        TRP  57  33.839  10.065 -10.061
  461    HA   TRP  57           HA       TRP  57  34.090  12.778  -9.149
  462   1HB   TRP  57          1HB       TRP  57  34.879  11.740 -11.321
  463   2HB   TRP  57          2HB       TRP  57  33.202  11.761 -11.865
  464    HD1  TRP  57           HD1      TRP  57  32.634  13.807 -13.242
  465    HE1  TRP  57           HE1      TRP  57  33.433  16.256 -13.343
  466    HE3  TRP  57           HE3      TRP  57  36.090  13.762  -9.483
  467    HZ2  TRP  57           HZ2      TRP  57  35.292  17.970 -12.004
  468    HZ3  TRP  57           HZ3      TRP  57  37.359  15.814  -8.917
  469    HH2  TRP  57           HH2      TRP  57  36.965  17.916 -10.171
  470    H    GLN  58           H        GLN  58  31.316  10.975 -10.546
  471    HA   GLN  58           HA       GLN  58  29.473  13.178 -10.544
  472   1HB   GLN  58          1HB       GLN  58  29.310  10.953 -11.747
  473   2HB   GLN  58          2HB       GLN  58  28.886  10.222 -10.199
  474   1HG   GLN  58          1HG       GLN  58  26.918  11.627 -10.007
  475   2HG   GLN  58          2HG       GLN  58  27.377  12.534 -11.448
  476   1HE2  GLN  58          1HE2      GLN  58  26.080   9.438 -10.313
  477   2HE2  GLN  58          2HE2      GLN  58  25.594   8.882 -11.841
  478    H    ARG  59           H        ARG  59  30.227  10.686  -8.114
  479    HA   ARG  59           HA       ARG  59  28.177  11.357  -6.226
  480   1HB   ARG  59          1HB       ARG  59  29.556   9.284  -6.257
  481   2HB   ARG  59          2HB       ARG  59  30.967  10.236  -5.794
  482   1HG   ARG  59          1HG       ARG  59  29.829  10.920  -3.713
  483   2HG   ARG  59          2HG       ARG  59  28.417   9.966  -4.172
  484   1HD   ARG  59          1HD       ARG  59  29.676   8.563  -2.688
  485   2HD   ARG  59          2HD       ARG  59  30.041   7.958  -4.314
  486    HE   ARG  59           HE       ARG  59  31.909  10.020  -3.734
  487   1HH1  ARG  59          1HH2      ARG  59  32.494   7.130  -4.556
  488   2HH1  ARG  59          2HH2      ARG  59  33.426   6.587  -3.202
  489   1HH2  ARG  59          1HH1      ARG  59  32.472   9.217  -1.153
  490   2HH2  ARG  59          2HH1      ARG  59  33.414   7.768  -1.274
  491    H    ASP  60           H        ASP  60  31.562  12.472  -6.529
  492    HA   ASP  60           HA       ASP  60  31.651  14.127  -4.211
  493   1HB   ASP  60          1HB       ASP  60  33.014  14.245  -6.917
  494   2HB   ASP  60          2HB       ASP  60  33.476  15.279  -5.565
  495    H    GLN  61           H        GLN  61  30.713  14.916  -7.571
  496    HA   GLN  61           HA       GLN  61  30.188  17.705  -7.105
  497   1HB   GLN  61          1HB       GLN  61  29.153  15.695  -9.133
  498   2HB   GLN  61          2HB       GLN  61  28.904  17.437  -9.263
  499   1HG   GLN  61          1HG       GLN  61  31.345  17.791  -9.264
  500   2HG   GLN  61          2HG       GLN  61  31.598  16.050  -9.133
  501   1HE2  GLN  61          1HE2      GLN  61  32.546  17.635 -11.376
  502   2HE2  GLN  61          2HE2      GLN  61  31.720  17.106 -12.762
  503    H    PHE  62           H        PHE  62  28.086  14.824  -7.075
  504    HA   PHE  62           HA       PHE  62  25.587  16.105  -6.606
  505   1HB   PHE  62          1HB       PHE  62  26.015  13.698  -7.174
  506   2HB   PHE  62          2HB       PHE  62  26.599  13.452  -5.528
  507    HD1  PHE  62           HD1      PHE  62  23.653  14.042  -7.637
  508    HD2  PHE  62           HD2      PHE  62  25.067  13.590  -3.606
  509    HE1  PHE  62           HE1      PHE  62  21.321  13.727  -6.855
  510    HE2  PHE  62           HE2      PHE  62  22.735  13.274  -2.824
  511    HZ   PHE  62           HZ       PHE  62  20.862  13.343  -4.448
  512    H    LEU  63           H        LEU  63  28.243  15.340  -4.433
  513    HA   LEU  63           HA       LEU  63  26.882  15.718  -1.925
  514   1HB   LEU  63          1HB       LEU  63  29.576  15.336  -2.981
  515   2HB   LEU  63          2HB       LEU  63  29.581  16.487  -1.648
  516    HG   LEU  63           HG       LEU  63  28.359  14.862  -0.241
  517   1HD1  LEU  63          1HD1      LEU  63  27.112  13.393  -1.476
  518   2HD1  LEU  63          2HD1      LEU  63  28.582  12.420  -1.421
  519   3HD1  LEU  63          3HD1      LEU  63  28.239  13.421  -2.831
  520   1HD2  LEU  63          1HD2      LEU  63  30.607  14.599   0.193
  521   2HD2  LEU  63          2HD2      LEU  63  31.000  14.267  -1.494
  522   3HD2  LEU  63          3HD2      LEU  63  30.287  13.004  -0.490
  523    H    SER  64           H        SER  64  28.641  17.939  -4.088
  524    HA   SER  64           HA       SER  64  27.861  20.238  -2.339
  525   1HB   SER  64          1HB       SER  64  29.924  19.781  -4.502
  526   2HB   SER  64          2HB       SER  64  29.581  21.385  -3.859
  527    HG   SER  64           HG       SER  64  31.246  19.732  -2.862
  528    H    GLN  65           H        GLN  65  26.236  18.696  -4.586
  529    HA   GLN  65           HA       GLN  65  25.553  21.116  -6.221
  530   1HB   GLN  65          1HB       GLN  65  25.634  18.156  -6.702
  531   2HB   GLN  65          2HB       GLN  65  24.498  19.132  -7.634
  532   1HG   GLN  65          1HG       GLN  65  26.336  20.584  -8.383
  533   2HG   GLN  65          2HG       GLN  65  27.482  19.637  -7.435
  534   1HE2  GLN  65          1HE2      GLN  65  27.219  20.012 -10.466
  535   2HE2  GLN  65          2HE2      GLN  65  27.150  18.431 -11.079
  536    H    VAL  66           H        VAL  66  24.204  18.378  -4.386
  537    HA   VAL  66           HA       VAL  66  21.478  19.568  -4.583
  538    HB   VAL  66           HB       VAL  66  20.803  17.369  -3.653
  539   1HG1  VAL  66          1HG1      VAL  66  21.185  16.163  -5.630
  540   2HG1  VAL  66          2HG1      VAL  66  22.805  16.828  -5.835
  541   3HG1  VAL  66          3HG1      VAL  66  21.392  17.836  -6.149
  542   1HG2  VAL  66          1HG2      VAL  66  23.564  17.299  -2.848
  543   2HG2  VAL  66          2HG2      VAL  66  23.254  15.921  -3.903
  544   3HG2  VAL  66          3HG2      VAL  66  22.279  16.159  -2.454
  545    H    LYS  67           H        LYS  67  20.403  20.360  -2.774
  546    HA   LYS  67           HA       LYS  67  22.045  20.784  -0.334
  547   1HB   LYS  67          1HB       LYS  67  20.355  22.506   0.151
  548   2HB   LYS  67          2HB       LYS  67  20.951  22.691  -1.495
  549   1HG   LYS  67          1HG       LYS  67  18.967  21.613  -2.395
  550   2HG   LYS  67          2HG       LYS  67  18.400  21.217  -0.774
  551   1HD   LYS  67          1HD       LYS  67  18.358  23.688  -0.274
  552   2HD   LYS  67          2HD       LYS  67  18.703  23.978  -1.979
  553   1HE   LYS  67          1HE       LYS  67  16.636  22.429  -2.414
  554   2HE   LYS  67          2HE       LYS  67  16.218  22.816  -0.732
  555   1HZ   LYS  67          1HZ       LYS  67  16.743  24.734  -2.938
  556   2HZ   LYS  67          2HZ       LYS  67  16.612  25.189  -1.306
  557   3HZ   LYS  67          3HZ       LYS  67  15.281  24.504  -2.109
  558    H    ILE  68           H        ILE  68  21.498  19.877   1.636
  559    HA   ILE  68           HA       ILE  68  19.032  18.167   1.723
  560    HB   ILE  68           HB       ILE  68  21.799  17.689   2.884
  561   1HG1  ILE  68          1HG1      ILE  68  20.386  16.065   0.764
  562   2HG1  ILE  68          2HG1      ILE  68  21.392  17.450   0.339
  563   1HG2  ILE  68          1HG2      ILE  68  19.807  16.784   4.196
  564   2HG2  ILE  68          2HG2      ILE  68  20.977  15.578   3.661
  565   3HG2  ILE  68          3HG2      ILE  68  19.455  15.776   2.792
  566   1HD1  ILE  68          1HD1      ILE  68  22.190  14.830   1.554
  567   2HD1  ILE  68          2HD1      ILE  68  23.138  16.266   1.937
  568   3HD1  ILE  68          3HD1      ILE  68  22.967  15.745   0.261
  569    HA   PRO  69           HA       PRO  69  18.272  20.715   5.280
  570   1HB   PRO  69          1HB       PRO  69  16.139  19.367   6.336
  571   2HB   PRO  69          2HB       PRO  69  16.002  20.446   4.934
  572   1HG   PRO  69          1HG       PRO  69  16.135  17.483   5.033
  573   2HG   PRO  69          2HG       PRO  69  15.183  18.537   3.979
  574   1HD   PRO  69          1HD       PRO  69  17.478  17.290   3.194
  575   2HD   PRO  69          2HD       PRO  69  16.891  18.810   2.491
  576    H    LYS  70           H        LYS  70  17.924  20.215   7.764
  577    HA   LYS  70           HA       LYS  70  20.093  18.441   8.580
  578   1HB   LYS  70          1HB       LYS  70  19.594  19.387  10.803
  579   2HB   LYS  70          2HB       LYS  70  19.657  20.658   9.584
  580   1HG   LYS  70          1HG       LYS  70  17.267  20.825   9.501
  581   2HG   LYS  70          2HG       LYS  70  17.066  19.339  10.429
  582   1HD   LYS  70          1HD       LYS  70  18.060  20.400  12.398
  583   2HD   LYS  70          2HD       LYS  70  18.357  21.875  11.476
  584   1HE   LYS  70          1HE       LYS  70  16.327  22.486  12.389
  585   2HE   LYS  70          2HE       LYS  70  15.690  21.555  11.019
  586   1HZ   LYS  70          1HZ       LYS  70  16.409  20.336  13.627
  587   2HZ   LYS  70          2HZ       LYS  70  15.572  19.607  12.341
  588   3HZ   LYS  70          3HZ       LYS  70  14.836  20.842  13.246
  589    H    THR  71           H        THR  71  16.867  17.780   7.889
  590    HA   THR  71           HA       THR  71  16.510  15.800  10.068
  591    HB   THR  71           HB       THR  71  14.282  15.549   8.904
  592    HG1  THR  71           HG1      THR  71  14.284  16.213   6.926
  593   1HG2  THR  71          1HG2      THR  71  14.617  17.174  10.737
  594   2HG2  THR  71          2HG2      THR  71  13.469  17.779   9.543
  595   3HG2  THR  71          3HG2      THR  71  15.125  18.385   9.560
  596    H    ILE  72           H        ILE  72  18.436  15.679   7.518
  597    HA   ILE  72           HA       ILE  72  17.669  12.874   6.785
  598    HB   ILE  72           HB       ILE  72  18.906  14.979   4.984
  599   1HG1  ILE  72          1HG1      ILE  72  16.616  15.649   5.567
  600   2HG1  ILE  72          2HG1      ILE  72  16.669  15.091   3.898
  601   1HG2  ILE  72          1HG2      ILE  72  19.425  12.700   4.312
  602   2HG2  ILE  72          2HG2      ILE  72  18.233  13.369   3.198
  603   3HG2  ILE  72          3HG2      ILE  72  17.729  12.238   4.454
  604   1HD1  ILE  72          1HD1      ILE  72  15.028  13.634   4.402
  605   2HD1  ILE  72          2HD1      ILE  72  15.121  14.062   6.110
  606   3HD1  ILE  72          3HD1      ILE  72  16.160  12.793   5.462
  607    H    THR  73           H        THR  73  19.370  11.409   6.783
  608    HA   THR  73           HA       THR  73  22.027  12.415   7.697
  609    HB   THR  73           HB       THR  73  20.821   9.628   7.573
  610    HG1  THR  73           HG1      THR  73  19.761  10.340   9.226
  611   1HG2  THR  73          1HG2      THR  73  22.650   9.156   9.251
  612   2HG2  THR  73          2HG2      THR  73  23.324  10.739   8.864
  613   3HG2  THR  73          3HG2      THR  73  23.225   9.493   7.619
  614    H    VAL  74           H        VAL  74  23.679  12.485   6.214
  615    HA   VAL  74           HA       VAL  74  23.299  11.103   3.594
  616    HB   VAL  74           HB       VAL  74  25.170  13.315   4.513
  617   1HG1  VAL  74          1HG1      VAL  74  25.989  11.936   2.574
  618   2HG1  VAL  74          2HG1      VAL  74  25.687  13.624   2.163
  619   3HG1  VAL  74          3HG1      VAL  74  24.524  12.382   1.700
  620   1HG2  VAL  74          1HG2      VAL  74  22.613  13.382   2.876
  621   2HG2  VAL  74          2HG2      VAL  74  23.659  14.769   3.180
  622   3HG2  VAL  74          3HG2      VAL  74  22.806  13.998   4.517
  623    H    SER  75           H        SER  75  24.438   9.260   3.250
  624    HA   SER  75           HA       SER  75  27.050   8.875   4.677
  625   1HB   SER  75          1HB       SER  75  24.668   7.066   4.275
  626   2HB   SER  75          2HB       SER  75  26.264   6.395   4.596
  627    HG   SER  75           HG       SER  75  24.572   7.242   6.357
  628    H    THR  76           H        THR  76  28.701   8.015   3.374
  629    HA   THR  76           HA       THR  76  27.976   7.306   0.549
  630    HB   THR  76           HB       THR  76  28.868   9.594   0.708
  631    HG1  THR  76           HG1      THR  76  30.251   9.311  -0.897
  632   1HG2  THR  76          1HG2      THR  76  31.289   9.832   1.467
  633   2HG2  THR  76          2HG2      THR  76  31.135   8.219   2.163
  634   3HG2  THR  76          3HG2      THR  76  30.115   9.533   2.748
  635    H    GLY  77           H        GLY  77  29.445   5.781  -0.465
  636   1HA   GLY  77          1HA       GLY  77  31.730   4.670   0.873
  637   2HA   GLY  77          2HA       GLY  77  30.324   3.645   1.155
  638    H    PHE  78           H        PHE  78  32.067   2.280  -0.141
  639    HA   PHE  78           HA       PHE  78  31.257   2.385  -3.022
  640   1HB   PHE  78          1HB       PHE  78  33.750   1.328  -3.191
  641   2HB   PHE  78          2HB       PHE  78  33.438   3.052  -3.326
  642    HD1  PHE  78           HD1      PHE  78  33.794   4.547  -1.358
  643    HD2  PHE  78           HD2      PHE  78  34.931   0.406  -1.298
  644    HE1  PHE  78           HE1      PHE  78  35.231   4.971   0.617
  645    HE2  PHE  78           HE2      PHE  78  36.369   0.833   0.681
  646    HZ   PHE  78           HZ       PHE  78  36.518   3.114   1.636
  647    H    MET  79           H        MET  79  30.646   0.414  -3.865
  648    HA   MET  79           HA       MET  79  30.861  -1.962  -2.046
  649   1HB   MET  79          1HB       MET  79  28.837  -1.094  -4.131
  650   2HB   MET  79          2HB       MET  79  28.792  -2.664  -3.329
  651   1HG   MET  79          1HG       MET  79  28.996  -0.227  -1.610
  652   2HG   MET  79          2HG       MET  79  27.440  -0.575  -2.364
  653   1HE   MET  79          1HE       MET  79  27.421  -4.244  -1.988
  654   2HE   MET  79          2HE       MET  79  26.028  -3.471  -1.235
  655   3HE   MET  79          3HE       MET  79  26.729  -2.795  -2.712
  656    H    SER  80           H        SER  80  31.607  -3.910  -2.924
  657    HA   SER  80           HA       SER  80  32.983  -3.737  -5.550
  658   1HB   SER  80          1HB       SER  80  32.945  -5.820  -3.340
  659   2HB   SER  80          2HB       SER  80  34.014  -5.851  -4.740
  660    HG   SER  80           HG       SER  80  35.098  -4.881  -3.049
  661    H    ILE  81           HN       ILE  81  31.748  -4.324  -7.297
  662    HA   ILE  81           HA       ILE  81  29.837  -6.620  -6.970
  663    HB   ILE  81           HB       ILE  81  29.675  -4.196  -8.794
  664   1HG1  ILE  81          1HG1      ILE  81  29.368  -3.561  -6.433
  665   2HG1  ILE  81          2HG1      ILE  81  27.835  -3.466  -7.295
  666   1HG2  ILE  81          1HG2      ILE  81  27.489  -6.173  -8.134
  667   2HG2  ILE  81          2HG2      ILE  81  28.574  -6.402  -9.506
  668   3HG2  ILE  81          3HG2      ILE  81  27.529  -4.984  -9.436
  669   1HD1  ILE  81          1HD1      ILE  81  27.795  -6.062  -6.411
  670   2HD1  ILE  81          2HD1      ILE  81  27.038  -4.713  -5.565
  671   3HD1  ILE  81          3HD1      ILE  81  28.648  -5.258  -5.094
  672   1H    MET   1          1HT       MET   1  33.407   2.640  10.119
  673   2H    MET   1          2HT       MET   1  33.618   1.008  10.542
  674   3H    MET   1          3HT       MET   1  32.151   1.794  10.881
  675    HA   MET   1           HA       MET   1  31.890   2.125   8.400
  676   1HB   MET   1          1HB       MET   1  34.244   0.224   8.615
  677   2HB   MET   1          2HB       MET   1  33.329   0.463   7.126
  678   1HG   MET   1          1HG       MET   1  33.857   2.873   7.184
  679   2HG   MET   1          2HG       MET   1  34.775   2.636   8.671
  680   1HE   MET   1          1HE       MET   1  34.138   1.876   5.177
  681   2HE   MET   1          2HE       MET   1  35.680   1.533   4.397
  682   3HE   MET   1          3HE       MET   1  34.808   0.248   5.244
  683    H    THR   2           H        THR   2  30.777   0.310   7.175
  684    HA   THR   2           HA       THR   2  30.164  -2.117   8.768
  685    HB   THR   2           HB       THR   2  27.698  -1.531   8.550
  686    HG1  THR   2           HG1      THR   2  27.228   0.214   7.514
  687   1HG2  THR   2          1HG2      THR   2  27.694  -0.302  10.552
  688   2HG2  THR   2          2HG2      THR   2  29.158   0.581  10.119
  689   3HG2  THR   2          3HG2      THR   2  29.258  -1.116  10.588
  690    HA   PRO   3           HA       PRO   3  30.038  -3.241   4.432
  691   1HB   PRO   3          1HB       PRO   3  30.132  -5.954   4.742
  692   2HB   PRO   3          2HB       PRO   3  31.572  -4.921   4.848
  693   1HG   PRO   3          1HG       PRO   3  29.936  -6.117   7.024
  694   2HG   PRO   3          2HG       PRO   3  31.691  -5.915   6.910
  695   1HD   PRO   3          1HD       PRO   3  30.094  -4.285   8.386
  696   2HD   PRO   3          2HD       PRO   3  31.626  -3.756   7.659
  697    H    ILE   4           H        ILE   4  28.327  -3.911   3.078
  698    HA   ILE   4           HA       ILE   4  25.917  -5.092   4.407
  699    HB   ILE   4           HB       ILE   4  24.559  -3.408   3.179
  700   1HG1  ILE   4          1HG1      ILE   4  27.215  -2.112   2.496
  701   2HG1  ILE   4          2HG1      ILE   4  26.290  -3.083   1.351
  702   1HG2  ILE   4          1HG2      ILE   4  25.633  -3.057   5.524
  703   2HG2  ILE   4          2HG2      ILE   4  24.953  -1.656   4.695
  704   3HG2  ILE   4          3HG2      ILE   4  26.697  -1.921   4.693
  705   1HD1  ILE   4          1HD1      ILE   4  24.315  -1.537   1.852
  706   2HD1  ILE   4          2HD1      ILE   4  25.644  -0.824   0.938
  707   3HD1  ILE   4          3HD1      ILE   4  25.475  -0.482   2.660
  708    H    VAL   5           H        VAL   5  24.388  -6.039   2.832
  709    HA   VAL   5           HA       VAL   5  25.690  -6.855   0.256
  710    HB   VAL   5           HB       VAL   5  24.080  -8.442   2.287
  711   1HG1  VAL   5          1HG1      VAL   5  23.531  -9.028  -0.117
  712   2HG1  VAL   5          2HG1      VAL   5  24.230 -10.348   0.817
  713   3HG1  VAL   5          3HG1      VAL   5  25.228  -9.456  -0.328
  714   1HG2  VAL   5          1HG2      VAL   5  26.851  -8.994   1.217
  715   2HG2  VAL   5          2HG2      VAL   5  26.093  -9.645   2.670
  716   3HG2  VAL   5          3HG2      VAL   5  26.585  -7.953   2.615
  717    H    HIS   6           H        HIS   6  24.116  -7.339  -1.471
  718    HA   HIS   6           HA       HIS   6  21.431  -6.066  -1.038
  719   1HB   HIS   6          1HB       HIS   6  23.498  -5.789  -3.217
  720   2HB   HIS   6          2HB       HIS   6  21.804  -5.410  -3.531
  721    HD1  HIS   6           HD1      HIS   6  20.969  -4.045  -0.957
  722    HD2  HIS   6           HD2      HIS   6  24.629  -3.292  -2.805
  723    HE1  HIS   6           HE1      HIS   6  21.731  -1.773  -0.137
  724    H    LEU   7           H        LEU   7  19.824  -7.529  -1.405
  725    HA   LEU   7           HA       LEU   7  20.378  -9.855  -3.215
  726   1HB   LEU   7          1HB       LEU   7  18.964  -9.404  -0.652
  727   2HB   LEU   7          2HB       LEU   7  18.136 -10.481  -1.777
  728    HG   LEU   7           HG       LEU   7  20.533 -11.558  -2.031
  729   1HD1  LEU   7          1HD1      LEU   7  21.621  -9.811  -0.621
  730   2HD1  LEU   7          2HD1      LEU   7  21.842 -11.435   0.029
  731   3HD1  LEU   7          3HD1      LEU   7  20.652 -10.352   0.750
  732   1HD2  LEU   7          1HD2      LEU   7  18.357 -12.493  -0.993
  733   2HD2  LEU   7          2HD2      LEU   7  19.063 -12.051   0.561
  734   3HD2  LEU   7          3HD2      LEU   7  19.877 -13.223  -0.475
  735    H    LYS   8           H        LYS   8  19.590  -9.278  -5.230
  736    HA   LYS   8           HA       LYS   8  16.915  -7.937  -5.378
  737   1HB   LYS   8          1HB       LYS   8  18.867  -6.784  -6.379
  738   2HB   LYS   8          2HB       LYS   8  19.177  -8.196  -7.389
  739   1HG   LYS   8          1HG       LYS   8  17.069  -7.919  -8.541
  740   2HG   LYS   8          2HG       LYS   8  16.574  -6.644  -7.428
  741   1HD   LYS   8          1HD       LYS   8  17.354  -5.546  -9.413
  742   2HD   LYS   8          2HD       LYS   8  18.615  -5.338  -8.197
  743   1HE   LYS   8          1HE       LYS   8  19.935  -7.135  -9.162
  744   2HE   LYS   8          2HE       LYS   8  18.626  -7.541 -10.290
  745   1HZ   LYS   8          1HZ       LYS   8  20.125  -6.112 -11.437
  746   2HZ   LYS   8          2HZ       LYS   8  20.158  -5.001 -10.152
  747   3HZ   LYS   8          3HZ       LYS   8  18.745  -5.195 -11.076
  748    H    GLY   9           H        GLY   9  15.256  -8.950  -6.507
  749   1HA   GLY   9          1HA       GLY   9  15.396 -10.895  -8.498
  750   2HA   GLY   9          2HA       GLY   9  15.455 -11.802  -6.986
  751    H    ASP  10           H        ASP  10  13.372 -12.731  -7.358
  752    HA   ASP  10           HA       ASP  10  11.016 -11.038  -7.771
  753   1HB   ASP  10          1HB       ASP  10  11.498 -13.965  -7.145
  754   2HB   ASP  10          2HB       ASP  10   9.888 -13.294  -7.409
  755    H    ALA  11           H        ALA  11   9.777 -10.139  -6.166
  756    HA   ALA  11           HA       ALA  11  10.584 -10.120  -3.419
  757   1HB   ALA  11          1HB       ALA  11   7.744  -9.587  -4.095
  758   2HB   ALA  11          2HB       ALA  11   8.914  -8.555  -3.273
  759   3HB   ALA  11          3HB       ALA  11   8.930  -8.679  -5.032
  760    H    ASN  12           H        ASN  12   8.336 -12.172  -5.208
  761    HA   ASN  12           HA       ASN  12   6.903 -13.331  -3.028
  762   1HB   ASN  12          1HB       ASN  12   6.351 -13.538  -5.440
  763   2HB   ASN  12          2HB       ASN  12   7.784 -14.540  -5.673
  764   1HD2  ASN  12          1HD2      ASN  12   4.767 -14.441  -3.696
  765   2HD2  ASN  12          2HD2      ASN  12   4.580 -16.127  -3.633
  766    H    THR  13           H        THR  13   9.942 -14.347  -4.609
  767    HA   THR  13           HA       THR  13  10.357 -16.632  -2.853
  768    HB   THR  13           HB       THR  13  12.531 -16.714  -4.000
  769    HG1  THR  13           HG1      THR  13  11.820 -14.252  -5.196
  770   1HG2  THR  13          1HG2      THR  13  10.436 -15.812  -5.988
  771   2HG2  THR  13          2HG2      THR  13  10.398 -17.387  -5.196
  772   3HG2  THR  13          3HG2      THR  13  11.745 -16.964  -6.252
  773    H    LEU  14           H        LEU  14  11.536 -13.281  -2.967
  774    HA   LEU  14           HA       LEU  14  13.491 -13.438  -0.893
  775   1HB   LEU  14          1HB       LEU  14  11.673 -11.227  -1.897
  776   2HB   LEU  14          2HB       LEU  14  12.986 -10.945  -0.752
  777    HG   LEU  14           HG       LEU  14  13.387 -12.279  -3.441
  778   1HD1  LEU  14          1HD1      LEU  14  13.724  -9.378  -2.623
  779   2HD1  LEU  14          2HD1      LEU  14  12.620 -10.009  -3.846
  780   3HD1  LEU  14          3HD1      LEU  14  14.362 -10.068  -4.115
  781   1HD2  LEU  14          1HD2      LEU  14  15.180 -11.242  -1.245
  782   2HD2  LEU  14          2HD2      LEU  14  15.775 -11.421  -2.896
  783   3HD2  LEU  14          3HD2      LEU  14  15.189 -12.830  -2.012
  784    H    LYS  15           H        LYS  15   9.998 -12.704  -0.756
  785    HA   LYS  15           HA       LYS  15   9.814 -12.140   2.037
  786   1HB   LYS  15          1HB       LYS  15   8.102 -11.764   0.214
  787   2HB   LYS  15          2HB       LYS  15   7.768 -13.495   0.251
  788   1HG   LYS  15          1HG       LYS  15   7.730 -12.133   2.885
  789   2HG   LYS  15          2HG       LYS  15   6.435 -11.681   1.777
  790   1HD   LYS  15          1HD       LYS  15   7.034 -14.587   2.003
  791   2HD   LYS  15          2HD       LYS  15   6.268 -13.829   3.399
  792   1HE   LYS  15          1HE       LYS  15   4.451 -12.976   1.973
  793   2HE   LYS  15          2HE       LYS  15   5.227 -13.690   0.545
  794   1HZ   LYS  15          1HZ       LYS  15   3.577 -15.203   1.457
  795   2HZ   LYS  15          2HZ       LYS  15   4.351 -15.171   2.970
  796   3HZ   LYS  15          3HZ       LYS  15   5.134 -15.856   1.627
  797    H    CYS  16           H        CYS  16   9.581 -15.214   0.250
  798    HA   CYS  16           HA       CYS  16   8.941 -16.852   2.548
  799   1HB   CYS  16          1HB       CYS  16   8.571 -17.361   0.098
  800   2HB   CYS  16          2HB       CYS  16  10.310 -17.617  -0.050
  801    HG   CYS  16           HG       CYS  16   9.803 -19.929   0.691
  802    H    LEU  17           H        LEU  17  11.967 -15.845   1.000
  803    HA   LEU  17           HA       LEU  17  13.713 -17.622   2.466
  804   1HB   LEU  17          1HB       LEU  17  14.078 -14.982   1.022
  805   2HB   LEU  17          2HB       LEU  17  15.427 -15.910   1.678
  806    HG   LEU  17           HG       LEU  17  13.405 -17.070  -0.253
  807   1HD1  LEU  17          1HD1      LEU  17  15.937 -15.529  -0.703
  808   2HD1  LEU  17          2HD1      LEU  17  14.438 -15.509  -1.632
  809   3HD1  LEU  17          3HD1      LEU  17  15.554 -16.866  -1.787
  810   1HD2  LEU  17          1HD2      LEU  17  15.471 -18.630  -0.576
  811   2HD2  LEU  17          2HD2      LEU  17  14.483 -18.837   0.870
  812   3HD2  LEU  17          3HD2      LEU  17  16.013 -17.965   0.965
  813    H    ARG  18           H        ARG  18  12.549 -14.304   3.025
  814    HA   ARG  18           HA       ARG  18  14.183 -13.642   5.267
  815   1HB   ARG  18          1HB       ARG  18  11.371 -12.874   4.431
  816   2HB   ARG  18          2HB       ARG  18  12.224 -12.088   5.759
  817   1HG   ARG  18          1HG       ARG  18  13.348 -12.288   2.953
  818   2HG   ARG  18          2HG       ARG  18  12.420 -10.903   3.526
  819   1HD   ARG  18          1HD       ARG  18  15.009 -11.922   4.761
  820   2HD   ARG  18          2HD       ARG  18  14.830 -10.455   3.782
  821    HE   ARG  18           HE       ARG  18  13.198  -9.664   5.561
  822   1HH1  ARG  18          1HH1      ARG  18  16.244 -10.519   6.297
  823   2HH1  ARG  18          2HH1      ARG  18  15.970 -10.943   7.954
  824   1HH2  ARG  18          1HH2      ARG  18  12.515 -10.902   7.669
  825   2HH2  ARG  18          2HH2      ARG  18  13.859 -11.160   8.731
  826    H    TYR  19           H        TYR  19  11.066 -15.349   5.068
  827    HA   TYR  19           HA       TYR  19  10.527 -15.568   7.865
  828   1HB   TYR  19          1HB       TYR  19   8.950 -16.054   6.008
  829   2HB   TYR  19          2HB       TYR  19   9.906 -17.472   5.579
  830    HD1  TYR  19           HD1      TYR  19   9.927 -19.463   6.999
  831    HD2  TYR  19           HD2      TYR  19   7.596 -16.010   8.046
  832    HE1  TYR  19           HE1      TYR  19   8.692 -20.806   8.679
  833    HE2  TYR  19           HE2      TYR  19   6.361 -17.353   9.726
  834    HH   TYR  19           HH       TYR  19   6.199 -20.534   9.775
  835    H    ARG  20           H        ARG  20  12.425 -17.632   5.669
  836    HA   ARG  20           HA       ARG  20  13.002 -19.703   7.599
  837   1HB   ARG  20          1HB       ARG  20  13.132 -19.925   5.128
  838   2HB   ARG  20          2HB       ARG  20  14.497 -18.809   5.112
  839   1HG   ARG  20          1HG       ARG  20  15.783 -20.353   6.545
  840   2HG   ARG  20          2HG       ARG  20  14.419 -21.473   6.561
  841   1HD   ARG  20          1HD       ARG  20  15.559 -20.561   3.924
  842   2HD   ARG  20          2HD       ARG  20  16.337 -21.879   4.823
  843    HE   ARG  20           HE       ARG  20  14.309 -23.177   4.613
  844   1HH1  ARG  20          1HH1      ARG  20  14.646 -21.841   1.841
  845   2HH1  ARG  20          2HH1      ARG  20  13.008 -21.376   1.521
  846   1HH2  ARG  20          1HH2      ARG  20  11.968 -21.803   4.801
  847   2HH2  ARG  20          2HH2      ARG  20  11.492 -21.355   3.197
  848    H    PHE  21           H        PHE  21  14.522 -16.610   6.823
  849    HA   PHE  21           HA       PHE  21  16.977 -17.154   8.311
  850   1HB   PHE  21          1HB       PHE  21  15.692 -14.660   7.163
  851   2HB   PHE  21          2HB       PHE  21  17.298 -14.682   7.888
  852    HD1  PHE  21           HD1      PHE  21  18.416 -17.244   6.954
  853    HD2  PHE  21           HD2      PHE  21  16.009 -14.364   4.860
  854    HE1  PHE  21           HE1      PHE  21  19.365 -18.016   4.802
  855    HE2  PHE  21           HE2      PHE  21  16.961 -15.139   2.706
  856    HZ   PHE  21           HZ       PHE  21  18.639 -16.964   2.676
  857    H    LYS  22           H        LYS  22  13.790 -16.279   9.255
  858    HA   LYS  22           HA       LYS  22  14.158 -14.472  11.390
  859   1HB   LYS  22          1HB       LYS  22  12.283 -16.797  10.914
  860   2HB   LYS  22          2HB       LYS  22  12.110 -15.734  12.311
  861   1HG   LYS  22          1HG       LYS  22  11.940 -13.783  10.811
  862   2HG   LYS  22          2HG       LYS  22  12.109 -14.844   9.412
  863   1HD   LYS  22          1HD       LYS  22  10.043 -15.983   9.942
  864   2HD   LYS  22          2HD       LYS  22   9.909 -15.124  11.476
  865   1HE   LYS  22          1HE       LYS  22   9.878 -12.957  10.090
  866   2HE   LYS  22          2HE       LYS  22   9.599 -14.001   8.682
  867   1HZ   LYS  22          1HZ       LYS  22   8.008 -14.118  11.188
  868   2HZ   LYS  22          2HZ       LYS  22   7.707 -14.969   9.748
  869   3HZ   LYS  22          3HZ       LYS  22   7.519 -13.281   9.797
  870    H    LYS  23           H        LYS  23  14.478 -18.031  11.404
  871    HA   LYS  23           HA       LYS  23  15.003 -18.308  14.214
  872   1HB   LYS  23          1HB       LYS  23  15.784 -20.545  13.540
  873   2HB   LYS  23          2HB       LYS  23  14.321 -20.122  12.656
  874   1HG   LYS  23          1HG       LYS  23  15.818 -19.323  10.766
  875   2HG   LYS  23          2HG       LYS  23  17.172 -20.039  11.637
  876   1HD   LYS  23          1HD       LYS  23  15.889 -22.219  11.653
  877   2HD   LYS  23          2HD       LYS  23  14.728 -21.465  10.560
  878   1HE   LYS  23          1HE       LYS  23  16.692 -20.933   9.020
  879   2HE   LYS  23          2HE       LYS  23  17.665 -22.008  10.044
  880   1HZ   LYS  23          1HZ       LYS  23  15.090 -22.736   8.748
  881   2HZ   LYS  23          2HZ       LYS  23  16.040 -23.756   9.719
  882   3HZ   LYS  23          3HZ       LYS  23  16.623 -23.227   8.214
  883    H    HIS  24           H        HIS  24  17.040 -17.418  11.494
  884    HA   HIS  24           HA       HIS  24  19.534 -17.697  13.073
  885   1HB   HIS  24          1HB       HIS  24  18.820 -16.918  10.235
  886   2HB   HIS  24          2HB       HIS  24  20.474 -16.856  10.842
  887    HD1  HIS  24           HD1      HIS  24  19.405 -18.880   8.609
  888    HD2  HIS  24           HD2      HIS  24  20.008 -19.778  12.635
  889    HE1  HIS  24           HE1      HIS  24  19.718 -21.389   8.744
  890    H    CYS  25           H        CYS  25  17.894 -15.861  14.307
  891    HA   CYS  25           HA       CYS  25  18.065 -13.147  13.438
  892   1HB   CYS  25          1HB       CYS  25  16.609 -14.131  15.236
  893   2HB   CYS  25          2HB       CYS  25  18.035 -14.243  16.267
  894    HG   CYS  25           HG       CYS  25  18.198 -11.654  16.295
  895    H    THR  26           H        THR  26  20.454 -15.235  14.916
  896    HA   THR  26           HA       THR  26  22.202 -12.972  15.692
  897    HB   THR  26           HB       THR  26  23.623 -14.923  16.485
  898    HG1  THR  26           HG1      THR  26  23.012 -16.877  16.002
  899   1HG2  THR  26          1HG2      THR  26  21.969 -13.769  17.936
  900   2HG2  THR  26          2HG2      THR  26  22.120 -15.481  18.331
  901   3HG2  THR  26          3HG2      THR  26  20.734 -14.909  17.402
  902    H    LEU  27           H        LEU  27  21.563 -13.748  12.760
  903    HA   LEU  27           HA       LEU  27  24.375 -14.276  11.862
  904   1HB   LEU  27          1HB       LEU  27  21.645 -15.010  10.902
  905   2HB   LEU  27          2HB       LEU  27  22.899 -14.775   9.684
  906    HG   LEU  27           HG       LEU  27  24.357 -16.312  11.161
  907   1HD1  LEU  27          1HD1      LEU  27  23.289 -16.630  13.175
  908   2HD1  LEU  27          2HD1      LEU  27  22.592 -17.989  12.293
  909   3HD1  LEU  27          3HD1      LEU  27  21.681 -16.488  12.464
  910   1HD2  LEU  27          1HD2      LEU  27  23.666 -17.201   9.091
  911   2HD2  LEU  27          2HD2      LEU  27  21.961 -17.168   9.543
  912   3HD2  LEU  27          3HD2      LEU  27  23.039 -18.370  10.253
  913    H    TYR  28           H        TYR  28  22.610 -11.636  12.444
  914    HA   TYR  28           HA       TYR  28  23.925 -10.047  10.376
  915   1HB   TYR  28          1HB       TYR  28  21.793  -9.279   9.346
  916   2HB   TYR  28          2HB       TYR  28  22.037 -11.010   9.129
  917    HD1  TYR  28           HD1      TYR  28  20.656 -12.640  10.300
  918    HD2  TYR  28           HD2      TYR  28  20.117  -8.426  10.931
  919    HE1  TYR  28           HE1      TYR  28  18.495 -13.086  11.432
  920    HE2  TYR  28           HE2      TYR  28  17.956  -8.872  12.064
  921    HH   TYR  28           HH       TYR  28  16.946 -10.925  13.350
  922    H    THR  29           H        THR  29  23.603  -7.728  10.748
  923    HA   THR  29           HA       THR  29  23.154  -7.084  13.580
  924    HB   THR  29           HB       THR  29  23.793  -5.366  11.159
  925    HG1  THR  29           HG1      THR  29  25.369  -6.913  11.493
  926   1HG2  THR  29          1HG2      THR  29  24.833  -3.930  13.034
  927   2HG2  THR  29          2HG2      THR  29  23.832  -4.877  14.135
  928   3HG2  THR  29          3HG2      THR  29  23.077  -3.903  12.873
  929    H    ALA  30           H        ALA  30  21.590  -6.342  10.459
  930    HA   ALA  30           HA       ALA  30  18.986  -5.986  11.726
  931   1HB   ALA  30          1HB       ALA  30  18.826  -3.567  11.219
  932   2HB   ALA  30          2HB       ALA  30  20.149  -3.893  12.339
  933   3HB   ALA  30          3HB       ALA  30  20.491  -3.584  10.637
  934    H    VAL  31           H        VAL  31  17.310  -5.471  10.084
  935    HA   VAL  31           HA       VAL  31  18.213  -5.972   7.265
  936    HB   VAL  31           HB       VAL  31  15.810  -7.096   8.750
  937   1HG1  VAL  31          1HG1      VAL  31  16.834  -7.717   5.963
  938   2HG1  VAL  31          2HG1      VAL  31  15.452  -6.676   6.304
  939   3HG1  VAL  31          3HG1      VAL  31  15.394  -8.387   6.729
  940   1HG2  VAL  31          1HG2      VAL  31  17.260  -9.245   7.967
  941   2HG2  VAL  31          2HG2      VAL  31  17.475  -8.469   9.536
  942   3HG2  VAL  31          3HG2      VAL  31  18.564  -8.082   8.205
  943    H    SER  32           H        SER  32  17.386  -4.500   5.820
  944    HA   SER  32           HA       SER  32  15.562  -2.392   6.787
  945   1HB   SER  32          1HB       SER  32  16.706  -2.789   4.016
  946   2HB   SER  32          2HB       SER  32  16.245  -1.276   4.791
  947    HG   SER  32           HG       SER  32  18.477  -2.930   5.238
  948    H    SER  33           H        SER  33  13.840  -1.715   5.006
  949    HA   SER  33           HA       SER  33  11.961  -3.927   4.743
  950   1HB   SER  33          1HB       SER  33  10.469  -2.211   4.055
  951   2HB   SER  33          2HB       SER  33  11.561  -1.407   5.179
  952    HG   SER  33           HG       SER  33  11.375  -1.229   2.391
  953    H    THR  34           H        THR  34  10.805  -3.392   2.223
  954    HA   THR  34           HA       THR  34  12.903  -4.513   0.409
  955    HB   THR  34           HB       THR  34   9.873  -4.587   0.278
  956    HG1  THR  34           HG1      THR  34  10.004  -6.299   1.484
  957   1HG2  THR  34          1HG2      THR  34  10.885  -4.890  -1.911
  958   2HG2  THR  34          2HG2      THR  34  10.310  -6.452  -1.329
  959   3HG2  THR  34          3HG2      THR  34  12.028  -6.062  -1.257
  960    H    TRP  35           H        TRP  35  13.515  -3.356  -1.365
  961    HA   TRP  35           HA       TRP  35  11.742  -1.170  -2.371
  962   1HB   TRP  35          1HB       TRP  35  13.898   0.183  -2.648
  963   2HB   TRP  35          2HB       TRP  35  13.333  -0.025  -0.999
  964    HD1  TRP  35           HD1      TRP  35  14.725  -1.632   0.595
  965    HE1  TRP  35           HE1      TRP  35  17.138  -2.532   0.449
  966    HE3  TRP  35           HE3      TRP  35  15.755  -0.613  -4.303
  967    HZ2  TRP  35           HZ2      TRP  35  19.229  -2.783  -1.489
  968    HZ3  TRP  35           HZ3      TRP  35  17.962  -1.189  -5.271
  969    HH2  TRP  35           HH2      TRP  35  19.699  -2.272  -3.872
  970    H    HIS  36           H        HIS  36  12.333  -0.529  -4.618
  971    HA   HIS  36           HA       HIS  36  13.936  -2.560  -6.106
  972   1HB   HIS  36          1HB       HIS  36  12.021  -2.838  -7.677
  973   2HB   HIS  36          2HB       HIS  36  11.614  -3.347  -6.040
  974    HD1  HIS  36           HD1      HIS  36  11.281  -0.240  -8.233
  975    HD2  HIS  36           HD2      HIS  36   9.350  -2.105  -5.044
  976    HE1  HIS  36           HE1      HIS  36   9.182   1.104  -7.781
  977    H    TRP  37           H        TRP  37  14.380  -1.856  -8.353
  978    HA   TRP  37           HA       TRP  37  15.206   0.899  -8.523
  979   1HB   TRP  37          1HB       TRP  37  14.922  -1.390 -10.485
  980   2HB   TRP  37          2HB       TRP  37  15.597   0.170 -10.954
  981    HD1  TRP  37           HD1      TRP  37  16.747  -3.048  -9.926
  982    HE1  TRP  37           HE1      TRP  37  19.062  -2.950  -8.794
  983    HE3  TRP  37           HE3      TRP  37  17.043   1.956  -8.957
  984    HZ2  TRP  37           HZ2      TRP  37  20.809  -1.004  -7.635
  985    HZ3  TRP  37           HZ3      TRP  37  19.042   2.905  -7.842
  986    HH2  TRP  37           HH2      TRP  37  20.923   1.432  -7.180
  987    H    THR  38           H        THR  38  14.336   2.581  -9.849
  988    HA   THR  38           HA       THR  38  11.566   2.138 -10.902
  989    HB   THR  38           HB       THR  38  11.480   3.197  -8.688
  990    HG1  THR  38           HG1      THR  38  11.070   5.069 -10.777
  991   1HG2  THR  38          1HG2      THR  38  13.716   4.756  -9.818
  992   2HG2  THR  38          2HG2      THR  38  13.352   4.362  -8.139
  993   3HG2  THR  38          3HG2      THR  38  12.535   5.713  -8.924
  994    H    GLY  39           H        GLY  39  11.029   3.475 -12.720
  995   1HA   GLY  39          1HA       GLY  39  12.951   5.424 -13.750
  996   2HA   GLY  39          2HA       GLY  39  12.880   3.937 -14.696
  997    H    HIS  40           H        HIS  40  10.747   3.320 -15.581
  998    HA   HIS  40           HA       HIS  40   8.720   5.491 -15.709
  999   1HB   HIS  40          1HB       HIS  40   8.827   5.435 -18.199
 1000   2HB   HIS  40          2HB       HIS  40  10.348   5.968 -17.486
 1001    HD1  HIS  40           HD1      HIS  40   8.998   3.552 -19.831
 1002    HD2  HIS  40           HD2      HIS  40  12.294   3.677 -17.280
 1003    HE1  HIS  40           HE1      HIS  40  10.593   1.754 -20.632
 1004    H    ASN  41           H        ASN  41   6.883   4.626 -17.304
 1005    HA   ASN  41           HA       ASN  41   5.158   3.040 -17.584
 1006   1HB   ASN  41          1HB       ASN  41   7.227   2.143 -18.861
 1007   2HB   ASN  41          2HB       ASN  41   7.388   1.004 -17.523
 1008   1HD2  ASN  41          1HD2      ASN  41   6.503  -0.960 -18.183
 1009   2HD2  ASN  41          2HD2      ASN  41   5.035  -1.134 -19.019
 1010    H    VAL  42           H        VAL  42   6.233   3.622 -14.776
 1011    HA   VAL  42           HA       VAL  42   5.900   2.829 -12.574
 1012    HB   VAL  42           HB       VAL  42   3.751   1.296 -14.081
 1013   1HG1  VAL  42          1HG1      VAL  42   4.227   1.896 -11.168
 1014   2HG1  VAL  42          2HG1      VAL  42   3.768   0.369 -11.921
 1015   3HG1  VAL  42          3HG1      VAL  42   2.587   1.671 -11.776
 1016   1HG2  VAL  42          1HG2      VAL  42   2.395   3.331 -13.136
 1017   2HG2  VAL  42          2HG2      VAL  42   3.359   3.552 -14.597
 1018   3HG2  VAL  42          3HG2      VAL  42   3.973   4.114 -13.042
 1019    H    LYS  43           H        LYS  43   7.886   1.629 -12.349
 1020    HA   LYS  43           HA       LYS  43   7.691  -1.314 -12.894
 1021   1HB   LYS  43          1HB       LYS  43   9.465   0.007 -14.046
 1022   2HB   LYS  43          2HB       LYS  43  10.097   0.489 -12.472
 1023   1HG   LYS  43          1HG       LYS  43  10.456  -1.903 -11.905
 1024   2HG   LYS  43          2HG       LYS  43   9.887  -2.352 -13.513
 1025   1HD   LYS  43          1HD       LYS  43  12.185  -0.433 -13.097
 1026   2HD   LYS  43          2HD       LYS  43  12.426  -2.175 -13.224
 1027   1HE   LYS  43          1HE       LYS  43  10.816  -0.730 -15.325
 1028   2HE   LYS  43          2HE       LYS  43  12.589  -0.757 -15.412
 1029   1HZ   LYS  43          1HZ       LYS  43  12.575  -3.133 -15.269
 1030   2HZ   LYS  43          2HZ       LYS  43  11.530  -2.680 -16.530
 1031   3HZ   LYS  43          3HZ       LYS  43  10.896  -3.169 -15.032
 1032    H    HIS  44           H        HIS  44   6.893  -2.176 -10.972
 1033    HA   HIS  44           HA       HIS  44   8.537  -1.718  -8.522
 1034   1HB   HIS  44          1HB       HIS  44   6.423  -1.491  -7.229
 1035   2HB   HIS  44          2HB       HIS  44   6.590  -0.222  -8.440
 1036    HD1  HIS  44           HD1      HIS  44   4.215  -2.640  -7.241
 1037    HD2  HIS  44           HD2      HIS  44   5.121  -1.045 -10.985
 1038    HE1  HIS  44           HE1      HIS  44   2.211  -3.100  -8.720
 1039    H    LYS  45           H        LYS  45   7.734  -3.976 -10.647
 1040    HA   LYS  45           HA       LYS  45   6.513  -6.064  -9.036
 1041   1HB   LYS  45          1HB       LYS  45   8.047  -5.981 -11.650
 1042   2HB   LYS  45          2HB       LYS  45   7.309  -7.454 -11.017
 1043   1HG   LYS  45          1HG       LYS  45   5.107  -6.340 -10.982
 1044   2HG   LYS  45          2HG       LYS  45   5.841  -4.868 -11.619
 1045   1HD   LYS  45          1HD       LYS  45   6.541  -6.090 -13.646
 1046   2HD   LYS  45          2HD       LYS  45   5.804  -7.562 -13.012
 1047   1HE   LYS  45          1HE       LYS  45   3.590  -6.492 -13.018
 1048   2HE   LYS  45          2HE       LYS  45   4.312  -4.977 -13.596
 1049   1HZ   LYS  45          1HZ       LYS  45   4.414  -7.608 -14.977
 1050   2HZ   LYS  45          2HZ       LYS  45   5.205  -6.200 -15.505
 1051   3HZ   LYS  45          3HZ       LYS  45   3.508  -6.260 -15.466
 1052    H    SER  46           H        SER  46   9.838  -5.129  -9.840
 1053    HA   SER  46           HA       SER  46  11.104  -7.479  -8.700
 1054   1HB   SER  46          1HB       SER  46  12.040  -4.680  -9.391
 1055   2HB   SER  46          2HB       SER  46  13.130  -5.963  -8.874
 1056    HG   SER  46           HG       SER  46  12.567  -5.563 -11.265
 1057    H    ALA  47           H        ALA  47  12.492  -7.394  -6.731
 1058    HA   ALA  47           HA       ALA  47  11.788  -5.325  -4.716
 1059   1HB   ALA  47          1HB       ALA  47  11.336  -7.411  -3.169
 1060   2HB   ALA  47          2HB       ALA  47  10.065  -6.841  -4.251
 1061   3HB   ALA  47          3HB       ALA  47  11.044  -8.238  -4.699
 1062    H    ILE  48           H        ILE  48  13.515  -4.947  -3.346
 1063    HA   ILE  48           HA       ILE  48  15.759  -6.942  -3.323
 1064    HB   ILE  48           HB       ILE  48  15.900  -3.909  -3.490
 1065   1HG1  ILE  48          1HG1      ILE  48  16.712  -5.970  -5.558
 1066   2HG1  ILE  48          2HG1      ILE  48  15.156  -5.142  -5.583
 1067   1HG2  ILE  48          1HG2      ILE  48  18.353  -4.438  -3.938
 1068   2HG2  ILE  48          2HG2      ILE  48  18.012  -6.075  -3.379
 1069   3HG2  ILE  48          3HG2      ILE  48  17.811  -4.710  -2.282
 1070   1HD1  ILE  48          1HD1      ILE  48  17.772  -3.634  -5.475
 1071   2HD1  ILE  48          2HD1      ILE  48  16.177  -3.015  -5.900
 1072   3HD1  ILE  48          3HD1      ILE  48  17.024  -4.102  -7.002
 1073    H    VAL  49           H        VAL  49  17.097  -6.793  -1.347
 1074    HA   VAL  49           HA       VAL  49  15.778  -5.370   0.933
 1075    HB   VAL  49           HB       VAL  49  15.068  -7.730   0.856
 1076   1HG1  VAL  49          1HG1      VAL  49  16.661  -9.545   0.990
 1077   2HG1  VAL  49          2HG1      VAL  49  18.007  -8.416   1.132
 1078   3HG1  VAL  49          3HG1      VAL  49  17.110  -8.533  -0.381
 1079   1HG2  VAL  49          1HG2      VAL  49  15.661  -6.504   3.048
 1080   2HG2  VAL  49          2HG2      VAL  49  17.127  -7.485   3.053
 1081   3HG2  VAL  49          3HG2      VAL  49  15.545  -8.263   3.117
 1082    H    THR  50           H        THR  50  17.248  -4.187   2.073
 1083    HA   THR  50           HA       THR  50  20.130  -4.467   1.488
 1084    HB   THR  50           HB       THR  50  18.597  -2.553   3.278
 1085    HG1  THR  50           HG1      THR  50  18.438  -1.276   1.505
 1086   1HG2  THR  50          1HG2      THR  50  21.327  -2.354   1.974
 1087   2HG2  THR  50          2HG2      THR  50  21.030  -2.634   3.690
 1088   3HG2  THR  50          3HG2      THR  50  20.560  -1.103   2.952
 1089    H    LEU  51           H        LEU  51  21.494  -5.591   2.809
 1090    HA   LEU  51           HA       LEU  51  20.588  -6.214   5.605
 1091   1HB   LEU  51          1HB       LEU  51  20.936  -7.953   3.552
 1092   2HB   LEU  51          2HB       LEU  51  22.575  -7.927   4.194
 1093    HG   LEU  51           HG       LEU  51  21.266  -9.720   5.250
 1094   1HD1  LEU  51          1HD1      LEU  51  22.098  -9.346   7.355
 1095   2HD1  LEU  51          2HD1      LEU  51  21.411  -7.724   7.453
 1096   3HD1  LEU  51          3HD1      LEU  51  22.891  -8.001   6.535
 1097   1HD2  LEU  51          1HD2      LEU  51  19.076  -8.342   4.955
 1098   2HD2  LEU  51          2HD2      LEU  51  19.504  -7.622   6.507
 1099   3HD2  LEU  51          3HD2      LEU  51  19.236  -9.361   6.386
 1100    H    THR  52           H        THR  52  22.049  -5.731   7.242
 1101    HA   THR  52           HA       THR  52  24.732  -4.669   6.409
 1102    HB   THR  52           HB       THR  52  24.474  -3.236   8.444
 1103    HG1  THR  52           HG1      THR  52  23.048  -3.920   9.805
 1104   1HG2  THR  52          1HG2      THR  52  23.649  -2.591   6.112
 1105   2HG2  THR  52          2HG2      THR  52  22.934  -1.708   7.461
 1106   3HG2  THR  52          3HG2      THR  52  22.032  -3.008   6.680
 1107    H    TYR  53           H        TYR  53  26.525  -5.259   7.737
 1108    HA   TYR  53           HA       TYR  53  26.011  -7.532   9.629
 1109   1HB   TYR  53          1HB       TYR  53  28.245  -6.958   7.662
 1110   2HB   TYR  53          2HB       TYR  53  28.307  -8.267   8.844
 1111    HD1  TYR  53           HD1      TYR  53  26.640  -7.005   5.807
 1112    HD2  TYR  53           HD2      TYR  53  26.845 -10.208   8.662
 1113    HE1  TYR  53           HE1      TYR  53  25.265  -8.427   4.314
 1114    HE2  TYR  53           HE2      TYR  53  25.476 -11.633   7.163
 1115    HH   TYR  53           HH       TYR  53  24.922 -10.899   3.935
 1116    H    ASP  54           H        ASP  54  27.351  -7.612  11.515
 1117    HA   ASP  54           HA       ASP  54  28.174  -4.999  12.551
 1118   1HB   ASP  54          1HB       ASP  54  27.017  -6.991  13.732
 1119   2HB   ASP  54          2HB       ASP  54  28.625  -7.713  13.799
 1120    H    SER  55           H        SER  55  29.735  -7.631  10.923
 1121    HA   SER  55           HA       SER  55  32.309  -6.250  10.968
 1122   1HB   SER  55          1HB       SER  55  31.725  -8.682  12.650
 1123   2HB   SER  55          2HB       SER  55  33.357  -8.386  12.056
 1124    HG   SER  55           HG       SER  55  32.215  -7.332  14.159
 1125    H    GLU  56           H        GLU  56  33.885  -7.386   9.577
 1126    HA   GLU  56           HA       GLU  56  32.779  -8.510   7.204
 1127   1HB   GLU  56          1HB       GLU  56  34.988  -7.402   7.424
 1128   2HB   GLU  56          2HB       GLU  56  35.566  -8.758   8.391
 1129   1HG   GLU  56          1HG       GLU  56  35.172 -10.286   6.491
 1130   2HG   GLU  56          2HG       GLU  56  34.596  -8.931   5.521
 1131    H    TRP  57           H        TRP  57  33.783  -9.999  10.222
 1132    HA   TRP  57           HA       TRP  57  34.058 -12.711   9.315
 1133   1HB   TRP  57          1HB       TRP  57  34.816 -11.668  11.496
 1134   2HB   TRP  57          2HB       TRP  57  33.133 -11.699  12.020
 1135    HD1  TRP  57           HD1      TRP  57  32.563 -13.748  13.392
 1136    HE1  TRP  57           HE1      TRP  57  33.376 -16.192  13.502
 1137    HE3  TRP  57           HE3      TRP  57  36.059 -13.683   9.671
 1138    HZ2  TRP  57           HZ2      TRP  57  35.260 -17.895  12.184
 1139    HZ3  TRP  57           HZ3      TRP  57  37.347 -15.727   9.119
 1140    HH2  TRP  57           HH2      TRP  57  36.952 -17.831  10.370
 1141    H    GLN  58           H        GLN  58  31.259 -10.924  10.680
 1142    HA   GLN  58           HA       GLN  58  29.428 -13.136  10.658
 1143   1HB   GLN  58          1HB       GLN  58  29.238 -10.912  11.859
 1144   2HB   GLN  58          2HB       GLN  58  28.828 -10.184  10.305
 1145   1HG   GLN  58          1HG       GLN  58  26.870 -11.600  10.092
 1146   2HG   GLN  58          2HG       GLN  58  27.319 -12.505  11.538
 1147   1HE2  GLN  58          1HE2      GLN  58  26.016  -9.416  10.388
 1148   2HE2  GLN  58          2HE2      GLN  58  25.510  -8.863  11.910
 1149    H    ARG  59           H        ARG  59  30.195 -10.641   8.235
 1150    HA   ARG  59           HA       ARG  59  28.170 -11.324   6.325
 1151   1HB   ARG  59          1HB       ARG  59  29.536  -9.243   6.370
 1152   2HB   ARG  59          2HB       ARG  59  30.958 -10.187   5.923
 1153   1HG   ARG  59          1HG       ARG  59  29.848 -10.878   3.830
 1154   2HG   ARG  59          2HG       ARG  59  28.425  -9.933   4.272
 1155   1HD   ARG  59          1HD       ARG  59  29.692  -8.524   2.801
 1156   2HD   ARG  59          2HD       ARG  59  30.036  -7.916   4.432
 1157    HE   ARG  59           HE       ARG  59  31.922  -9.966   3.873
 1158   1HH1  ARG  59          1HH2      ARG  59  32.480  -7.074   4.702
 1159   2HH1  ARG  59          2HH2      ARG  59  33.425  -6.525   3.358
 1160   1HH2  ARG  59          1HH1      ARG  59  32.510  -9.161   1.299
 1161   2HH2  ARG  59          2HH1      ARG  59  33.442  -7.706   1.431
 1162    H    ASP  60           H        ASP  60  31.557 -12.420   6.666
 1163    HA   ASP  60           HA       ASP  60  31.682 -14.075   4.349
 1164   1HB   ASP  60          1HB       ASP  60  33.016 -14.183   7.070
 1165   2HB   ASP  60          2HB       ASP  60  33.499 -15.216   5.724
 1166    H    GLN  61           H        GLN  61  30.711 -14.868   7.699
 1167    HA   GLN  61           HA       GLN  61  30.208 -17.661   7.226
 1168   1HB   GLN  61          1HB       GLN  61  29.138 -15.658   9.243
 1169   2HB   GLN  61          2HB       GLN  61  28.899 -17.401   9.370
 1170   1HG   GLN  61          1HG       GLN  61  31.341 -17.741   9.400
 1171   2HG   GLN  61          2HG       GLN  61  31.586 -16.000   9.269
 1172   1HE2  GLN  61          1HE2      GLN  61  32.517 -17.576  11.525
 1173   2HE2  GLN  61          2HE2      GLN  61  31.673 -17.049  12.900
 1174    H    PHE  62           H        PHE  62  28.090 -14.792   7.173
 1175    HA   PHE  62           HA       PHE  62  25.604 -16.087   6.676
 1176   1HB   PHE  62          1HB       PHE  62  26.011 -13.677   7.248
 1177   2HB   PHE  62          2HB       PHE  62  26.613 -13.428   5.608
 1178    HD1  PHE  62           HD1      PHE  62  23.647 -14.035   7.685
 1179    HD2  PHE  62           HD2      PHE  62  25.103 -13.576   3.670
 1180    HE1  PHE  62           HE1      PHE  62  21.322 -13.733   6.876
 1181    HE2  PHE  62           HE2      PHE  62  22.778 -13.273   2.861
 1182    HZ   PHE  62           HZ       PHE  62  20.888 -13.352   4.465
 1183    H    LEU  63           H        LEU  63  28.280 -15.306   4.533
 1184    HA   LEU  63           HA       LEU  63  26.950 -15.693   2.010
 1185   1HB   LEU  63          1HB       LEU  63  29.629 -15.295   3.096
 1186   2HB   LEU  63          2HB       LEU  63  29.656 -16.446   1.764
 1187    HG   LEU  63           HG       LEU  63  28.440 -14.829   0.342
 1188   1HD1  LEU  63          1HD1      LEU  63  27.171 -13.367   1.563
 1189   2HD1  LEU  63          2HD1      LEU  63  28.635 -12.385   1.524
 1190   3HD1  LEU  63          3HD1      LEU  63  28.282 -13.388   2.931
 1191   1HD2  LEU  63          1HD2      LEU  63  30.691 -14.551  -0.067
 1192   2HD2  LEU  63          2HD2      LEU  63  31.063 -14.219   1.625
 1193   3HD2  LEU  63          3HD2      LEU  63  30.354 -12.959   0.613
 1194    H    SER  64           H        SER  64  28.696 -17.904   4.193
 1195    HA   SER  64           HA       SER  64  27.950 -20.207   2.436
 1196   1HB   SER  64          1HB       SER  64  29.986 -19.738   4.622
 1197   2HB   SER  64          2HB       SER  64  29.659 -21.344   3.976
 1198    HG   SER  64           HG       SER  64  31.326 -19.682   2.997
 1199    H    GLN  65           H        GLN  65  26.291 -18.675   4.664
 1200    HA   GLN  65           HA       GLN  65  25.603 -21.098   6.292
 1201   1HB   GLN  65          1HB       GLN  65  25.661 -18.138   6.773
 1202   2HB   GLN  65          2HB       GLN  65  24.521 -19.121   7.692
 1203   1HG   GLN  65          1HG       GLN  65  26.359 -20.562   8.463
 1204   2HG   GLN  65          2HG       GLN  65  27.510 -19.608   7.527
 1205   1HE2  GLN  65          1HE2      GLN  65  27.215 -19.984  10.555
 1206   2HE2  GLN  65          2HE2      GLN  65  27.129 -18.403  11.167
 1207    H    VAL  66           H        VAL  66  24.260 -18.369   4.441
 1208    HA   VAL  66           HA       VAL  66  21.538 -19.575   4.608
 1209    HB   VAL  66           HB       VAL  66  20.861 -17.379   3.670
 1210   1HG1  VAL  66          1HG1      VAL  66  21.214 -16.171   5.651
 1211   2HG1  VAL  66          2HG1      VAL  66  22.835 -16.827   5.875
 1212   3HG1  VAL  66          3HG1      VAL  66  21.425 -17.843   6.172
 1213   1HG2  VAL  66          1HG2      VAL  66  23.630 -17.293   2.896
 1214   2HG2  VAL  66          2HG2      VAL  66  23.301 -15.916   3.947
 1215   3HG2  VAL  66          3HG2      VAL  66  22.343 -16.161   2.488
 1216    H    LYS  67           H        LYS  67  20.488 -20.374   2.787
 1217    HA   LYS  67           HA       LYS  67  22.160 -20.788   0.365
 1218   1HB   LYS  67          1HB       LYS  67  20.485 -22.520  -0.138
 1219   2HB   LYS  67          2HB       LYS  67  21.064 -22.701   1.515
 1220   1HG   LYS  67          1HG       LYS  67  19.064 -21.634   2.392
 1221   2HG   LYS  67          2HG       LYS  67  18.512 -21.242   0.764
 1222   1HD   LYS  67          1HD       LYS  67  18.491 -23.713   0.265
 1223   2HD   LYS  67          2HD       LYS  67  18.818 -24.001   1.975
 1224   1HE   LYS  67          1HE       LYS  67  16.737 -22.464   2.385
 1225   2HE   LYS  67          2HE       LYS  67  16.341 -22.853   0.699
 1226   1HZ   LYS  67          1HZ       LYS  67  16.852 -24.769   2.910
 1227   2HZ   LYS  67          2HZ       LYS  67  16.741 -25.224   1.277
 1228   3HZ   LYS  67          3HZ       LYS  67  15.398 -24.546   2.066
 1229    H    ILE  68           H        ILE  68  21.630 -19.883  -1.610
 1230    HA   ILE  68           HA       ILE  68  19.155 -18.188  -1.725
 1231    HB   ILE  68           HB       ILE  68  21.933 -17.695  -2.856
 1232   1HG1  ILE  68          1HG1      ILE  68  20.486 -16.079  -0.752
 1233   2HG1  ILE  68          2HG1      ILE  68  21.497 -17.457  -0.316
 1234   1HG2  ILE  68          1HG2      ILE  68  19.950 -16.801  -4.191
 1235   2HG2  ILE  68          2HG2      ILE  68  21.108 -15.589  -3.642
 1236   3HG2  ILE  68          3HG2      ILE  68  19.577 -15.795  -2.791
 1237   1HD1  ILE  68          1HD1      ILE  68  22.292 -14.832  -1.522
 1238   2HD1  ILE  68          2HD1      ILE  68  23.253 -16.264  -1.894
 1239   3HD1  ILE  68          3HD1      ILE  68  23.059 -15.742  -0.221
 1240    HA   PRO  69           HA       PRO  69  18.450 -20.741  -5.290
 1241   1HB   PRO  69          1HB       PRO  69  16.322 -19.406  -6.371
 1242   2HB   PRO  69          2HB       PRO  69  16.175 -20.487  -4.970
 1243   1HG   PRO  69          1HG       PRO  69  16.292 -17.523  -5.069
 1244   2HG   PRO  69          2HG       PRO  69  15.334 -18.582  -4.024
 1245   1HD   PRO  69          1HD       PRO  69  17.613 -17.321  -3.215
 1246   2HD   PRO  69          2HD       PRO  69  17.027 -18.844  -2.517
 1247    H    LYS  70           H        LYS  70  18.127 -20.244  -7.778
 1248    HA   LYS  70           HA       LYS  70  20.295 -18.458  -8.570
 1249   1HB   LYS  70          1HB       LYS  70  19.826 -19.407 -10.798
 1250   2HB   LYS  70          2HB       LYS  70  19.883 -20.677  -9.579
 1251   1HG   LYS  70          1HG       LYS  70  17.493 -20.858  -9.523
 1252   2HG   LYS  70          2HG       LYS  70  17.294 -19.373 -10.453
 1253   1HD   LYS  70          1HD       LYS  70  18.316 -20.428 -12.410
 1254   2HD   LYS  70          2HD       LYS  70  18.612 -21.901 -11.486
 1255   1HE   LYS  70          1HE       LYS  70  16.596 -22.524 -12.420
 1256   2HE   LYS  70          2HE       LYS  70  15.937 -21.596 -11.058
 1257   1HZ   LYS  70          1HZ       LYS  70  16.679 -20.374 -13.658
 1258   2HZ   LYS  70          2HZ       LYS  70  15.822 -19.650 -12.382
 1259   3HZ   LYS  70          3HZ       LYS  70  15.105 -20.890 -13.296
 1260    H    THR  71           H        THR  71  17.057 -17.816  -7.916
 1261    HA   THR  71           HA       THR  71  16.714 -15.838 -10.099
 1262    HB   THR  71           HB       THR  71  14.471 -15.599  -8.961
 1263    HG1  THR  71           HG1      THR  71  14.455 -16.263  -6.982
 1264   1HG2  THR  71          1HG2      THR  71  14.837 -17.222 -10.789
 1265   2HG2  THR  71          2HG2      THR  71  13.678 -17.834  -9.608
 1266   3HG2  THR  71          3HG2      THR  71  15.338 -18.431  -9.606
 1267    H    ILE  72           H        ILE  72  18.610 -15.706  -7.527
 1268    HA   ILE  72           HA       ILE  72  17.818 -12.905  -6.804
 1269    HB   ILE  72           HB       ILE  72  19.047 -15.003  -4.988
 1270   1HG1  ILE  72          1HG1      ILE  72  16.768 -15.685  -5.598
 1271   2HG1  ILE  72          2HG1      ILE  72  16.798 -15.126  -3.928
 1272   1HG2  ILE  72          1HG2      ILE  72  19.545 -12.720  -4.311
 1273   2HG2  ILE  72          2HG2      ILE  72  18.344 -13.396  -3.211
 1274   3HG2  ILE  72          3HG2      ILE  72  17.848 -12.268  -4.472
 1275   1HD1  ILE  72          1HD1      ILE  72  15.155 -13.679  -4.451
 1276   2HD1  ILE  72          2HD1      ILE  72  15.270 -14.107  -6.157
 1277   3HD1  ILE  72          3HD1      ILE  72  16.294 -12.833  -5.499
 1278    H    THR  73           H        THR  73  19.510 -11.430  -6.782
 1279    HA   THR  73           HA       THR  73  22.184 -12.420  -7.666
 1280    HB   THR  73           HB       THR  73  20.960  -9.640  -7.557
 1281    HG1  THR  73           HG1      THR  73  19.924 -10.359  -9.222
 1282   1HG2  THR  73          1HG2      THR  73  22.805  -9.158  -9.215
 1283   2HG2  THR  73          2HG2      THR  73  23.484 -10.737  -8.819
 1284   3HG2  THR  73          3HG2      THR  73  23.364  -9.492  -7.575
 1285    H    VAL  74           H        VAL  74  23.819 -12.480  -6.166
 1286    HA   VAL  74           HA       VAL  74  23.402 -11.101  -3.550
 1287    HB   VAL  74           HB       VAL  74  25.296 -13.301  -4.448
 1288   1HG1  VAL  74          1HG1      VAL  74  26.085 -11.917  -2.500
 1289   2HG1  VAL  74          2HG1      VAL  74  25.789 -13.607  -2.092
 1290   3HG1  VAL  74          3HG1      VAL  74  24.613 -12.372  -1.643
 1291   1HG2  VAL  74          1HG2      VAL  74  22.722 -13.384  -2.839
 1292   2HG2  VAL  74          2HG2      VAL  74  23.779 -14.765  -3.133
 1293   3HG2  VAL  74          3HG2      VAL  74  22.936 -13.997  -4.479
 1294    H    SER  75           H        SER  75  24.525  -9.250  -3.193
 1295    HA   SER  75           HA       SER  75  27.151  -8.850  -4.592
 1296   1HB   SER  75          1HB       SER  75  24.753  -7.057  -4.217
 1297   2HB   SER  75          2HB       SER  75  26.348  -6.374  -4.516
 1298    HG   SER  75           HG       SER  75  24.684  -7.232  -6.300
 1299    H    THR  76           H        THR  76  28.783  -7.982  -3.270
 1300    HA   THR  76           HA       THR  76  28.023  -7.276  -0.453
 1301    HB   THR  76           HB       THR  76  28.928  -9.559  -0.602
 1302    HG1  THR  76           HG1      THR  76  30.294  -9.270   1.017
 1303   1HG2  THR  76          1HG2      THR  76  31.359  -9.784  -1.333
 1304   2HG2  THR  76          2HG2      THR  76  31.204  -8.172  -2.031
 1305   3HG2  THR  76          3HG2      THR  76  30.198  -9.492  -2.627
 1306    H    GLY  77           H        GLY  77  29.468  -5.741   0.575
 1307   1HA   GLY  77          1HA       GLY  77  31.763  -4.618  -0.736
 1308   2HA   GLY  77          2HA       GLY  77  30.356  -3.602  -1.036
 1309    H    PHE  78           H        PHE  78  32.079  -2.229   0.280
 1310    HA   PHE  78           HA       PHE  78  31.235  -2.336   3.152
 1311   1HB   PHE  78          1HB       PHE  78  33.719  -1.261   3.348
 1312   2HB   PHE  78          2HB       PHE  78  33.417  -2.987   3.482
 1313    HD1  PHE  78           HD1      PHE  78  33.804  -4.481   1.518
 1314    HD2  PHE  78           HD2      PHE  78  34.917  -0.333   1.469
 1315    HE1  PHE  78           HE1      PHE  78  35.265  -4.898  -0.441
 1316    HE2  PHE  78           HE2      PHE  78  36.380  -0.753  -0.494
 1317    HZ   PHE  78           HZ       PHE  78  36.553  -3.034  -1.446
 1318    H    MET  79           H        MET  79  30.598  -0.368   3.985
 1319    HA   MET  79           HA       MET  79  30.821   2.008   2.168
 1320   1HB   MET  79          1HB       MET  79  28.772   1.120   4.219
 1321   2HB   MET  79          2HB       MET  79  28.729   2.694   3.425
 1322   1HG   MET  79          1HG       MET  79  28.975   0.270   1.695
 1323   2HG   MET  79          2HG       MET  79  27.406   0.601   2.429
 1324   1HE   MET  79          1HE       MET  79  27.368   4.275   2.072
 1325   2HE   MET  79          2HE       MET  79  25.990   3.494   1.300
 1326   3HE   MET  79          3HE       MET  79  26.678   2.818   2.782
 1327    H    SER  80           H        SER  80  31.563   3.953   3.051
 1328    HA   SER  80           HA       SER  80  32.889   3.793   5.700
 1329   1HB   SER  80          1HB       SER  80  32.857   5.885   3.500
 1330   2HB   SER  80          2HB       SER  80  33.907   5.920   4.914
 1331    HG   SER  80           HG       SER  80  35.024   4.971   3.230
 1332    H    ILE  81           HN       ILE  81  31.683   4.418   7.451
 1333    HA   ILE  81           HA       ILE  81  29.725   6.669   7.092
 1334    HB   ILE  81           HB       ILE  81  29.559   4.239   8.907
 1335   1HG1  ILE  81          1HG1      ILE  81  29.293   3.609   6.540
 1336   2HG1  ILE  81          2HG1      ILE  81  27.749   3.495   7.380
 1337   1HG2  ILE  81          1HG2      ILE  81  27.365   6.198   8.221
 1338   2HG2  ILE  81          2HG2      ILE  81  28.428   6.432   9.609
 1339   3HG2  ILE  81          3HG2      ILE  81  27.397   5.005   9.520
 1340   1HD1  ILE  81          1HD1      ILE  81  27.699   6.096   6.502
 1341   2HD1  ILE  81          2HD1      ILE  81  26.961   4.741   5.648
 1342   3HD1  ILE  81          3HD1      ILE  81  28.571   5.297   5.194