NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	513425	2l8k	16977	cing	1-original	1	XPLOR/CNS	distance	NOE	ambi

!levels from 15N-NOESY-HSQC on doubly labelled sample 
!NHSQC from 020408
!lowest 1e+06, factor 1.4, levels 5
!
!
!
!
!.0A = 1-5 levels 
!.5A = 6-9 levels
!.8A = >9 levels
!
!
!
!GLY 1
!LEU 2
!THR 3
!ALA 4
!THR 5
!LEU 6
assign (resid 6 and name HN )(resid 3 and name HA ) 0.0 1.8 5.0 !
!ALA 7
!ALA 8
!LEU 9
!THR 10
assign (resid 10 and name HN )(resid 13 and name HN ) 0.0 1.8 5.0 !
assign (resid 10 and name HN )(resid 13 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 10 and name HN )(resid 13 and name HB2 ) 0.0 1.8 5.0 !
!ASP 11
!ASP 12
!ASP 13
assign (resid 13 and name HN )(resid 15 and name HN ) 0.0 1.8 5.0 !
assign (resid 13 and name HN )(resid 10 and name HB ) 0.0 1.8 5.0 !
assign (resid 13 and name HN )(resid 10 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 13 and name HN )((resid 9 and name HD1* ) or (resid 9 and name HD2*)) 0.0 1.8 5.0 ! 
!PHE 14
assign (resid 14 and name HN )(resid 17 and name HN ) 0.0 1.8 5.0 !    
!GLN 15
assign (resid 15 and name HN )(resid 17 and name HN ) 0.0 1.8 5.0 !
assign (resid 15 and name HN )(resid 12 and name HA ) 0.0 1.8 5.0 !    
!PHE 16
!LEU 17
assign (resid 17 and name HN )(resid 19 and name HN ) 0.0 1.8 5.0 !
assign (resid 17 and name HN )(resid 14 and name HA ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 17 and name HN ) 0.0 1.8 5.0 !
!SER 18
assign (resid 18 and name HN )(resid 20 and name HN ) 0.0 1.8 5.0 !
assign (resid 18 and name HN )((resid 16 and name HN ) or (resid 21 and name HN )) 0.0 1.8 5.0 !
assign (resid 18 and name HN )(resid 14 and name HA ) 0.0 1.8 5.0 !.5
assign (resid 18 and name HN )(resid 15 and name HA ) 0.0 1.8 5.0 !
assign (resid 18 and name HN )((resid 15 and name HB* ) or (resid 20 and name HB )) 0.0 1.8 5.0 !
assign (resid 18 and name HN )((resid 20 and name HG1* ) or (resid 20 and name HG2* )) 0.0 1.8 5.0 !
!ASP 19
assign (resid 19 and name HN )(resid 16 and name HA ) 0.0 1.8 5.0 !  
!VAL 20
assign (resid 20 and name HN )(resid 17 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )(resid 16 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )(resid 17 and name HG ) 0.0 1.8 5.0 !
!LEU 21
assign (resid 21 and name HN )(resid 19 and name HN ) 0.0 1.8 5.0 !
assign (resid 21 and name HN )(resid 18 and name HA ) 0.0 1.8 5.0 !
assign (resid 21 and name HN )(resid 17 and name HA ) 0.0 1.8 5.0 !
!ASP 22
assign (resid 22 and name HN )(resid 19 and name HA ) 0.0 1.8 5.0 !
assign (resid 22 and name HN )((resid 20 and name HG1* ) or (resid 20 and name HG2*)) 0.0 1.8 5.0 !
!CYS 23
assign (resid 23 and name HN )(resid 21 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HA )(resid 23 and name HN ) 0.0 1.8 5.0 !
assign (resid 23 and name HN )(resid 20 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 23 and name HN )(resid 20 and name HG2* ) 0.0 1.8 5.0 !
!ARG 24
!ALA 25
assign (resid 25 and name HN )(resid 23 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 25 and name HN )(resid 23 and name HB2 ) 0.0 1.8 5.0 !
!VAL 26
!ARG 27
assign ((resid 27 and name HB1 ) or (resid 27 and name HB2))(resid 32 and name HA ) 0.0 1.8 5.0 !
assign (resid 32 and name HA )(resid 27 and name HD1 ) 0.0 1.8 5.0 !
assign (resid 32 and name HA )(resid 27 and name HD2 ) 0.0 1.8 5.0 !
assign ((resid 32 and name HD1* ) or (resid 32 and name HD2*))(resid 27 and name HD1 ) 0.0 1.8 5.0 !
assign ((resid 32 and name HD1* ) or (resid 32 and name HD2*))(resid 27 and name HD2 ) 0.0 1.8 5.0 !
!SER 28
assign (resid 28 and name HN )((resid 32 and name HD1* ) or (resid 32 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 32 and name HD1* ) or (resid 32 and name HD2*))(resid 28 and name HA ) 0.0 1.8 5.0 !
!ALA 29
assign (resid 32 and name HD1*)(resid 29 and name HA ) 0.0 1.8 5.0 !
assign (resid 32 and name HD2*)(resid 29 and name HA ) 0.0 1.8 5.0 !
!MET 30
!ASN 31
assign (resid 31 and name HN )(resid 28 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 31 and name HN )(resid 28 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 31 and name HD21 )(resid 34 and name HB* ) 0.0 1.8 5.0 !
assign (resid 31 and name HD22 )(resid 34 and name HB* ) 0.0 1.8 5.0 !
!LEU 32
!ARG 33
assign (resid 33 and name HN )(resid 31 and name HA ) 0.0 1.8 5.0 !
assign (resid 33 and name HN )(resid 31 and name HB* ) 0.0 1.8 5.0 !
!ALA 34
assign (resid 34 and name HN )(resid 32 and name HA ) 0.0 1.8 5.0 !      
assign (resid 34 and name HN )(resid 31 and name HB* ) 0.0 1.8 5.0 !
!ALA 35
!LEU 36
assign (resid 36 and name HN )((resid 41 and name HG1* ) or (resi 41 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 41 and name HG1* )((resid 45 and name HN) or (resid 36 and name HN)) 0.0 1.8 5.0 !
assign (resid 41 and name HG2* )((resid 45 and name HN) or (resid 36 and name HN)) 0.0 1.8 5.0 !
assign (resid 42 and name HB* )((resid 45 and name HN ) or (resid 36 and name HN)) 0.0 1.8 5.0 !
!THR 37
assign (resid 37 and name HN )(resid 40 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 40 and name HB1 )(resid 37 and name HN ) 0.0 1.8 5.0 !      
assign (resid 40 and name HB2 )(resid 37 and name HN ) 0.0 1.8 5.0 !
assign (resid 37 and name HN )((resid 40 and name HG1 ) or (resid 40 and name HG2 )) 0.0 1.8 5.0 ! 
assign (resid 37 and name HN )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!SER 38
!PHE 39
assign (resid 39 and name HA )((resid 42 and name HN) or (resid 43 and name HN)) 0.0 1.8 5.0 !
!GLN 40
assign (resid 40 and name HN )(resid 37 and name HN ) 0.0 1.8 5.0 !
assign (resid 40 and name HN )((resid 42 and name HN ) or (resid 43 and name HN)) 0.0 1.8 5.0 !  
assign (resid 40 and name HN )(resid 37 and name HG2* ) 0.0 1.8 5.0 !
!VAL 41
assign (resid 41 and name HN )(resid 36 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 41 and name HN )(resid 36 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 41 and name HN )((resid 36 and name HD1* ) or (resid 36 and name HD2*)) 0.0 1.8 5.0 !
!ALA 42
!GLN 43
assign (resid 43 and name HN )(resid 41 and name HN ) 0.0 1.8 5.0 !
assign (resid 43 and name HN )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 43 and name HE21 )(resid 39 and name HD* ) 0.0 1.8 5.0 !
assign (resid 43 and name HE22 )(resid 39 and name HD* ) 0.0 1.8 5.0 !
assign (resid 43 and name HE21 )(resid 39 and name HE* ) 0.0 1.8 5.0 !
assign (resid 43 and name HE21 )(resid 39 and name HE* ) 0.0 1.8 5.0 !
!TYR 44
assign (resid 44 and name HN )(resid 46 and name HN ) 0.0 1.8 5.0 !     
assign (resid 44 and name HN )(resid 41 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 44 and name HN )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!ARG 45
assign (resid 45 and name HN )((resid 43 and name HN ) or (resid 42 and name HN)) 0.0 1.8 5.0 ! 
assign (resid 45 and name HN )(resid 42 and name HA ) 0.0 1.8 5.0 !
assign (resid 45 and name HN )(resid 41 and name HA ) 0.0 1.8 5.0 !
assign (resid 45 and name HN )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!ASN 46
assign (resid 46 and name HN )(resid 48 and name HN ) 0.0 1.8 5.0 !
assign (resid 46 and name HN )(resid 44 and name HA ) 0.0 1.8 5.0 !      
assign (resid 46 and name HN )(resid 43 and name HA ) 0.0 1.8 5.0 !      
!ILE 47
assign (resid 47 and name HN )(resid 45 and name HN ) 0.0 1.8 5.0 !
assign (resid 47 and name HN )(resid 49 and name HN ) 0.0 1.8 5.0 !
assign (resid 47 and name HN )(resid 44 and name HA ) 0.0 1.8 5.0 !
!LEU 48
assign (resid 48 and name HN )(resid 44 and name HA ) 0.0 1.8 5.0 !
assign (resid 48 and name HN )(resid 45 and name HA ) 0.0 1.8 5.0 !
!ASN 49
assign (resid 49 and name HN )(resid 51 and name HN ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 46 and name HA ) 0.0 1.8 5.0 !      
assign (resid 49 and name HN )(resid 45 and name HA ) 0.0 1.8 5.0 !
!ASN 49
assign ((resid 49 and name HD11 ) or (resid 49 and name HD21))(resid 46 and name HA ) 0.0 1.8 5.0 !  
assign (resid 49 and name HD21 )(resid 53 and name HG* ) 0.0 1.8 5.0 !
assign (resid 49 and name HD22 )(resid 53 and name HG* ) 0.0 1.8 5.0 !
assign (resid 49 and name HD21 )(resid 52 and name HG* ) 0.0 1.8 5.0 !
assign (resid 49 and name HD22 )(resid 52 and name HG* ) 0.0 1.8 5.0 ! 
!ALA 50
assign (resid 50 and name HN )(resid 48 and name HN ) 0.0 1.8 5.0 !
assign (resid 50 and name HN )(resid 47 and name HA ) 0.0 1.8 5.0 !
assign (resid 50 and name HN )(resid 46 and name HA ) 0.0 1.8 5.0 !      
!SER 51
assign (resid 51 and name HN )(resid 53 and name HN ) 0.0 1.8 5.0 !
assign (resid 51 and name HN )(resid 48 and name HA ) 0.0 1.8 5.0 !
assign (resid 51 and name HN )(resid 49 and name HA ) 0.0 1.8 5.0 !
!LEU 52
assign (resid 52 and name HN )(resid 54 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HN )(resid 50 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HN )(resid 49 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 52 and name HN )(resid 48 and name HA ) 0.0 1.8 5.0 !
!GLN 53
assign (resid 53 and name HN )(resid 55 and name HN ) 0.0 1.8 5.0 !
assign (resid 53 and name HN )(resid 51 and name HA ) 0.0 1.8 5.0 !
assign (resid 50 and name HA )(resid 53 and name HN ) 0.0 1.8 5.0 ! 
assign ((resid 53 and name HE21) or (resid 53 and name HE22 ))(resid 50 and name HA ) 0.0 1.8 5.0 !
!VAL 54
assign (resid 54 and name HN )(resid 52 and name HA ) 0.0 1.8 5.0 !
!ASP 55
assign (resid 55 and name HN )(resid 52 and name HA ) 0.0 1.8 5.0 !      
assign (resid 55 and name HN )(resid 53 and name HA ) 0.0 1.8 5.0 !
!ARG 56
!ASP 57
assign (resid 57 and name HN )(resid 55 and name HA ) 0.0 1.8 5.0 !
assign (resid 57 and name HN )((resid 55 and name HB1 ) or (resid 55 and name HB2)) 0.0 1.8 5.0 !
!ALA 58
!ALA 59
!ARG 60
assign (resid 60 and name HN )((resid 58 and name HA ) or (resid 59 and name HA)) 0.0 1.8 5.0 !
!SER 61
assign (resid 61 and name HN )((resid 58 and name HA ) or (resid 59 and name HA)) 0.0 1.8 5.0 !
!ARG 62
assign (resid 62 and name HN )(resid 60 and name HA ) 0.0 1.8 5.0 ! 
!ARG 63
assign (resid 63 and name HN )((resid 61 and name HB* ) or (resid 60 and name HA )) 0.0 1.8 5.0 !
assign (resid 63 and name HN )((resid 60 and name HB2 ) or (resid 60 and name HB1)) 0.0 1.8 5.0 ! 
assign (resid 60 and name HA )(resid 63 and name HN ) 0.0 1.8 5.0 !
!LEU 64
assign (resid 64 and name HN )(resid 61 and name HA ) 0.0 1.8 5.0 !
!MET 65
assign (resid 62 and name HA )(resid 65 and name HN ) 0.0 1.8 5.0 !
!ALA 66
assign (resid 66 and name HN )(resid 64 and name HN ) 0.0 1.8 5.0 !
assign (resid 66 and name HN )(resid 68 and name HN ) 0.0 1.8 5.0 !
assign (resid 66 and name HN )(resid 63 and name HN ) 0.0 1.8 5.0 !
assign (resid 66 and name HN )(resid 63 and name HA ) 0.0 1.8 5.0 !
!LYS 67
!LEU 68
!ALA 69
assign (resid 69 and name HN )(resid 67 and name HA ) 0.0 1.8 5.0 !
assign (resid 69 and name HN )(resid 66 and name HA ) 0.0 1.8 5.0 !
assign (resid 65 and name HA )(resid 69 and name HN ) 0.0 1.8 5.0 !
!ASP 70
assign (resid 70 and name HN )(resid 68 and name HN ) 0.0 1.8 5.0 !
assign (resid 70 and name HN )(resid 67 and name HA ) 0.0 1.8 5.0 !
assign (resid 70 and name HN )(resid 68 and name HA ) 0.0 1.8 5.0 !
assign (resid 70 and name HN )(resid 73 and name HG* ) 0.0 1.8 5.0 !
!PHE 71
assign (resid 71 and name HN )(resid 68 and name HA ) 0.0 1.8 5.0 !
assign (resid 71 and name HN )(resid 69 and name HA ) 0.0 1.8 5.0 !
assign (resid 71 and name HN )(resid 69 and name HB* ) 0.0 1.8 5.0 ! 
!ALA 72
!VAL 73
assign (resid 73 and name HN )((resid 71 and name HN ) or (resid 75 and name HN )) 0.0 1.8 5.0 !
assign (resid 73 and name HN )(resid 71 and name HA ) 0.0 1.8 5.0 !
!GLU 74 
!GLN 75
assign (resid 75 and name HE21 )(resid 73 and name HG* ) 0.0 1.8 5.0 !
assign (resid 75 and name HE22 )(resid 73 and name HG* ) 0.0 1.8 5.0 !      
!GLN 76
!VAL 77
!THR 78
assign (resid 78 and name HN )(resid 81 and name HN ) 0.0 1.8 5.0 !
assign (resid 78 and name HN )(resid 81 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 78 and name HN )(resid 81 and name HB2 ) 0.0 1.8 5.0 !
!ALA 79
!GLY 80
!ASP 81
assign (resid 81 and name HN )(resid 79 and name HB* ) 0.0 1.8 5.0 !
assign (resid 81 and name HN )(resid 78 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 79 and name HA )(resid 81 and name HN ) 0.0 1.8 5.0 ! 
!ARG 82
!VAL 83
!VAL 84
!VAL 85
assign (resid 85 and name HN )((resid 83 and name HG1* ) or (resid 83 and name HG2*)) 0.0 1.8 5.0 !
!ILE 86
assign (resid 85 and name HA )(resid 86 and name HN) 0.0 1.8 5.0 !
!ASP 87
assign (resid 87 and name HN )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
!GLY 88
assign (resid 88 and name HN )(resid 86 and name HA ) 0.0 1.8 5.0 !      
assign (resid 88 and name HN )(resid 85 and name HB ) 0.0 1.8 5.0 !
assign (resid 88 and name HN )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
!LEU 89
assign (resid 89 and name HN )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
!ASP 90
!ARG 91
assign (resid 91 and name HN )(resid 89 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 91 and name HN )(resid 89 and name HD2* ) 0.0 1.8 5.0 !
!MET 92
!ALA 93
!assign (resid 93 and name HN )(resid 91 and name HA ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )((resid 89 and name HD1* ) or (resid 89 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 93 and name HN )((resid 89 and name HD1* ) or (resid 89 and name HD2*)) 0.0 1.8 5.0 !
!HIS 94
!PHE 95 
assign (resid 95 and name HN )(resid 99 and name HN ) 0.0 1.8 5.0 !
assign (resid 95 and name HN )(resid 100 and name HA ) 0.0 1.8 3.5 ! 
assign (resid 95 and name HN )((resid 100 and name HG1* ) or (resid 100 and name HG2*)) 0.0 1.8 5.0 ! 
!LYS 96
assign (resid 96 and name HN )(resid 99 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 96 and name HN )(resid 94 and name HA ) 0.0 1.8 5.0 !
assign (resid 96 and name HN )(resid 98 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 96 and name HN )(resid 94 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 96 and name HN )(resid 94 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 96 and name HN )((resid 99 and name HB2 ) or (resid 99 and name HB1)) 0.0 1.8 5.0 !
!ASP 97
!ASP 98
!LEU 99
assign (resid 99 and name HN )(resid 97 and name HA ) 0.0 1.8 5.0 !
assign (resid 99 and name HN )(resid 97 and name HB* ) 0.0 1.8 5.0 !
!VAL 100
!LEU 101
!VAL 102
!PRO 103
!LEU 104
!THR 105
assign (resid 105 and name HN )(resid 103 and name HA ) 0.0 1.8 5.0 !
!THR 106
!LYS 107
assign (resid 105 and name HG2* )(resid 107 and name HN) 0.0 1.8 5.0 !
!VAL 108
!VAL 109
assign (resid 109 and name HN )(resid 112 and name HN ) 0.0 1.8 5.0 !
assign (resid 109 and name HN )(resid 114 and name HN ) 0.0 1.8 5.0 !
assign (resid 109 and name HN )(resid 113 and name HA ) 0.0 1.8 5.0 !
assign ((resid 112 and name HB2 ) or (resid 112 and name HB2))(resid 109 and name HN) 0.0 1.8 5.0 !
!GLY 110
!GLY 111
assign ((resid 108 and name HG1* ) or (resid 108 and name HG2*))(resid 111 and name HN) 0.0 1.8 5.0 !
!SER 112
assign (resid 112 and name HN )(resid 108 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 112 and name HN )(resid 110 and name HA* ) 0.0 1.8 5.0 ! 
assign (resid 112 and name HN )(resid 108 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 112 and name HN )(resid 108 and name HG1* ) 0.0 1.8 5.0 !
!ARG 113
!CYS 114
assign (resid 114 and name HN )(resid 108 and name HA ) 0.0 1.8 5.0 !
assign (resid 114 and name HN )((resid 109 and name HG1* ) or (resid 109 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 114 and name HN )((resid 108 and name HG1* ) or (resid 108 and name HG2*)) 0.0 1.8 5.0 !
!THR 115
!ILE 116
!CYS 117
assign (resid 117 and name HN )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
!ASP 118
!VAL 119
!VAL 120
!LYS 121
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 121 and name HN) 0.0 1.8 5.0 !
!GLU 122
!GLU 123
!
!levels from 13C-NOESY on doubly labelled sample 
!c13hsqc1 from 100408
!lowest .7e+06, factor 1.4, levels 10
!
!.0A = 1-6 levels 
!.5A = 7-9 levels
!.8A = >10 levels
!
!
!
!GLY 1
assign (resid 1 and name HA*)(resid 5 and name HA ) 0.0 1.8 5.0 !
!LEU 2
assign (resid 2 and name HA)(resid 5 and name HB ) 0.0 1.8 5.0 !
assign (resid 2 and name HA)(resid 5 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 5 and name HB)(resid 2 and name HA ) 0.0 1.8 5.0 !
assign (resid 4 and name HA)((resid 2 and name HD1* ) or (resid 2 and name HD2*)) 0.0 1.8 5.0 !
!THR 3
assign (resid 3 and name HG2*)(resid 6 and name HA ) 0.0 1.8 5.0 !
assign (resid 3 and name HG2*)(resid 6 and name HG ) 0.0 1.8 5.0 !
!ALA 4
assign (resid 4 and name HA)((resid 6 and name HG ) or (resid 9 and name HG)) 0.0 1.8 5.0 !
!THR 5
!LEU 6
!ALA 7 
!ALA 8
assign (resid 8 and name HA)(resid 5 and name HG2* ) 0.0 1.8 5.0 !
!LEU 9
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 5 and name HB ) 0.0 1.8 5.0 !
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 5 and name HG2* ) 0.0 1.8 5.0 !
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 6 and name HA ) 0.0 1.8 5.0 !
assign (resid 9 and name HA)(resid 13 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 9 and name HA)(resid 13 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 13 and name HA )(resid 9 and name HD1*) 0.0 1.8 5.0 !
assign (resid 13 and name HA )(resid 9 and name HD2*) 0.0 1.8 5.0 !
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 13 and name HB1 ) 0.0 1.8 5.0 ! 
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 13 and name HB2 ) 0.0 1.8 5.0 ! 
!THR 10 
!ASP 11
!ASP 12
assign (resid 12 and name HA)(resid 15 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 12 and name HA)(resid 15 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 12 and name HA)((resid 15 and name HG1 ) or (resid 15 and name HG2)) 0.0 1.8 5.0 !
!ASP 13
assign (resid 13 and name HA )(resid 16 and name HB* ) 0.0 1.8 5.0 ! 
!PHE 14
assign (resid 14 and name HA )(resid 17 and name HB1 ) 0.0 1.8 5.0 ! 
assign (resid 14 and name HA )(resid 17 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 14 and name HA )((resid 17 and name HD1* ) or (resid 17 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 14 and name HA )(resid 17 and name HG ) 0.0 1.8 5.0 !      
assign (resid 14 and name HD* )((resid 17 and name HD1* ) or (resid 17 and name HD2*)) 0.0 1.8 5.0 !
!GLN 15
assign (resid 15 and name HA )(resid 18 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 15 and name HA )(resid 18 and name HB2 ) 0.0 1.8 5.0 !
assign ((resid 18 and name HB2 ) or (resid 18 and name HB1))(resid 15 and name HE* ) 0.0 1.8 5.0 ! 
!PHE 16
assign (resid 16 and name HA )(resid 19 and name HB1) 0.0 1.8 5.0 !
assign (resid 16 and name HA )(resid 19 and name HB2) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 16 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 16 and name HE* ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 16 and name HZ* ) 0.0 1.8 5.0 !
!LEU 17
assign (resid 17 and name HA )(resid 20 and name HA) 0.0 1.8 5.0 !
assign (resid 17 and name HA )(resid 20 and name HB) 0.0 1.8 5.0 !
assign (resid 17 and name HA )(resid 20 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 17 and name HA )(resid 20 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 17 and name HA )((resid 21 and name HD1* ) or (resid 21 and name HD2*)) 0.0 1.8 5.0 !
!SER 18
assign (resid 18 and name HA )(resid 21 and name HG ) 0.0 1.8 5.0 !    
assign (resid 18 and name HA )((resid 21 and name HB1 ) or (resid 21 and name HB2)) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 18 and name HA ) 0.0 1.8 5.0 !
!ASP 19
assign (resid 22 and name HB1 )(resid 19 and name HA ) 0.0 1.8 5.0 !
assign (resid 22 and name HB2 )(resid 19 and name HA ) 0.0 1.8 5.0 !  
assign (resid 22 and name HA )(resid 19 and name HA ) 0.0 1.8 5.0 !
!VAL 20
!LEU 21
!ASP 22
!CYS 23
!ARG 24
!ALA 25
!VAL 26 
!ARG 27 
!SER 28
assign (resid 28 and name HA )((resid 32 and name HD1* ) or (resid 32 and name HD2*)) 0.0 1.8 5.0 !
!ALA 29
assign (resid 29 and name HA )(resid 32 and name HA ) 0.0 1.8 5.0 !
assign (resid 29 and name HA )(resid 32 and name HG ) 0.0 1.8 5.0 !
assign (resid 29 and name HA )(resid 32 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 29 and name HA )(resid 32 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 29 and name HA )(resid 32 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 29 and name HA )(resid 32 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD1* )(resid 29 and name HB* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD2* )(resid 29 and name HB* ) 0.0 1.8 5.0 !
!MET 30
!ASN 31
!LEU 32 
!ARG 33 
!ALA 34
assign (resid 31 and name HA)(resid 34 and name HB* ) 0.0 1.8 5.0 !
assign (resid 31 and name HB*)(resid 34 and name HB* ) 0.0 1.8 5.0 !
assign (resid 34 and name HB* )(resid 31 and name HD22 ) 0.0 1.8 5.0 !
assign (resid 34 and name HB* )(resid 31 and name HD21 ) 0.0 1.8 5.0 !
!ALA 35
!LEU 36
assign (resid 36 and name HA )(resid 40 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 36 and name HA )(resid 40 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 36 and name HA )(resid 37 and name HG2* ) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 36 and name HA) 0.0 1.8 5.0 !
assign (resid 36 and name HB1 )((resid 40 and name HB1 ) or (resid 40 and name HB2)) 0.0 1.8 5.0 !
assign (resid 36 and name HB2 )((resid 40 and name HB1 ) or (resid 40 and name HB2)) 0.0 1.8 5.0 ! 
assign (resid 36 and name HB1 )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !  
assign (resid 36 and name HB2 )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !  
assign (resid 44 and name HD* )((resid 36 and name HD1* ) or (resid 36 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 36 and name HD1*) or (resid 36 and name HD2* ))(resid 40 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 36 and name HD1* )(resid 41 and name HA ) 0.0 1.8 5.0 !
assign (resid 36 and name HD2* )(resid 41 and name HA ) 0.0 1.8 5.0 !
assign ((resid 36 and name HD1*) or (resid 36 and name HD2* ))(resid 40 and name HB1 ) 0.0 1.8 5.0 !
assign ((resid 36 and name HD1*) or (resid 36 and name HD2* ))(resid 40 and name HB2 ) 0.0 1.8 5.0 !
assign ((resid 40 and name HB1 ) or (resid 40 and name HB2))(resid 36 and name HD1* ) 0.0 1.8 5.0 !
assign ((resid 40 and name HB1 ) or (resid 40 and name HB2))(resid 36 and name HD2* ) 0.0 1.8 5.0 !
assign ((resid 40 and name HG1 ) or (resid 40 and name HG2))(resid 36 and name HD*) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 36 and name HG  ) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 36 and name HD1*) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 36 and name HD2*) 0.0 1.8 5.0 !
!THR 37
assign (resid 37 and name HA )((resid 41 and name HG1 ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!SER 38
!PHE 39
assign (resid 39 and name HA )(resid 42 and name HB*) 0.0 1.8 3.5 !
assign (resid 42 and name HB* )(resid 39 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 42 and name HB* )(resid 39 and name HB2 ) 0.0 1.8 5.0 !
!GLN 40
!VAL 41
assign (resid 41 and name HA )(resid 44 and name HB1) 0.0 1.8 5.0 !
assign (resid 41 and name HA )(resid 44 and name HB2) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 45 and name HD* ) 0.0 1.8 5.0 !
assign (resid 45 and name HB1 )((resid 41 and name HG2* ) or (resid 41 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 45 and name HB2 )((resid 41 and name HG2* ) or (resid 41 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 45 and name HG1 )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 45 and name HG2 )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !  
!ALA 42
assign (resid 42 and name HA )(resid 45 and name HD*) 0.0 1.8 5.0 !
assign (resid 42 and name HA )(resid 45 and name HA) 0.0 1.8 5.0 !
assign (resid 42 and name HA )(resid 45 and name HB1) 0.0 1.8 5.0 !
assign (resid 42 and name HA )(resid 45 and name HB2) 0.0 1.8 5.0 !
assign (resid 45 and name HG1 )(resid 42 and name HA ) 0.0 1.8 5.0 !
assign (resid 45 and name HG2 )(resid 42 and name HA ) 0.0 1.8 5.0 !
!GLN 43
assign (resid 43 and name HA)((resid 46 and name HD21 ) or (resid 46 and name HD22)) 0.0 1.8 5.0 !
assign (resid 43 and name HA)(resid 46 and name HB1) 0.0 1.8 5.0 !
assign (resid 43 and name HA)(resid 46 and name HB2 ) 0.0 1.8 5.0 ! 
assign (resid 47 and name HD1* )(resid 43 and name HA ) 0.0 1.8 5.0 !
assign (resid 47 and name HD1* )(resid 43 and name HB* ) 0.0 1.8 5.0 !
!TYR 44
assign (resid 44 and name HD* )(resid 47 and name HB ) 0.0 1.8 5.0 !
assign (resid 44 and name HD* )(resid 48 and name HG ) 0.0 1.8 5.0 !
assign (resid 44 and name HD* )(resid 47 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 47 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 48 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 48 and name HD2* ) 0.0 1.8 5.0 ! 
assign (resid 47 and name HB )(resid 44 and name HA ) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )(resid 44 and name HD* ) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )(resid 44 and name HA ) 0.0 1.8 5.0 !
assign (resid 47 and name HD1* )(resid 44 and name HE* ) 0.0 1.8 5.0 !
assign (resid 47 and name HD1* )(resid 44 and name HA ) 0.0 1.8 3.5 !
assign (resid 47 and name HD1* )(resid 44 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 47 and name HD1* )(resid 44 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 48 and name HD1*)(resid 44 and name HD* ) 0.0 1.8 5.0 !
assign (resid 48 and name HD2*)(resid 44 and name HD* ) 0.0 1.8 5.0 !
assign (resid 86 and name HG2* )(resid 44 and name HD*) 0.0 1.8 5.0 !
assign (resid 86 and name HD1* )(resid 44 and name HE*) 0.0 1.8 5.0 !
!ARG 45
assign (resid 45 and name HA )((resid 48 and name HB1 ) or (resid 48 and name HB2)) 0.0 1.8 5.0 ! 
assign (resid 45 and name HA )(resid 48 and name HG ) 0.0 1.8 5.0 !
assign (resid 48 and name HD1*)(resid 45 and name HA ) 0.0 1.8 5.0 !
assign (resid 48 and name HD2*)(resid 45 and name HA ) 0.0 1.8 5.0 !
!ASN 46
assign (resid 46 and name HA )(resid 49 and name HD21 ) 0.0 1.8 5.0 !
assign (resid 46 and name HA )(resid 49 and name HD22 ) 0.0 1.8 5.0 !      
assign (resid 49 and name HB1 )(resid 46 and name HA ) 0.0 1.8 5.0 !
assign (resid 49 and name HB2 )(resid 46 and name HA ) 0.0 1.8 5.0 !
!ILE 47
assign (resid 47 and name HA )(resid 50 and name HB* ) 0.0 1.8 3.5 !      
assign (resid 47 and name HG11 )((resid 51 and name HA ) or (resid 44 and name HA)) 0.0 1.8 5.0 !
assign (resid 47 and name HG12 )((resid 51 and name HA ) or (resid 44 and name HA)) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )(resid 50 and name HB* ) 0.0 1.8 5.0 !
!LEU 48 
assign (resid 51 and name HB1 )(resid 48 and name HA ) 0.0 1.8 5.0 !
assign (resid 51 and name HB2 )(resid 48 and name HA ) 0.0 1.8 5.0 !
assign (resid 48 and name HB1 )((resid 45 and name HA ) or (resid 51 and name HB*)) 0.0 1.8 5.0 !
assign (resid 48 and name HB2 )((resid 45 and name HA ) or (resid 51 and name HB*)) 0.0 1.8 5.0 !
assign (resid 48 and name HD1*)((resid 51 and name HB1 ) or (resid 51 and name HB2)) 0.0 1.8 5.0 !
assign (resid 48 and name HD2*)((resid 51 and name HB1 ) or (resid 51 and name HB2)) 0.0 1.8 5.0 ! 
!ASN 49
assign (resid 52 and name HG )(resid 49 and name HA ) 0.0 1.8 5.0 !
!ALA 50
assign (resid 50 and name HB* )((resid 53 and name HB1 ) or (resid 53 and name HB2)) 0.0 1.8 5.0 !
assign (resid 50 and name HA )(resid 53 and name HG* ) 0.0 1.8 5.0 !
assign (resid 50 and name HA )((resid 53 and name HB1 ) or (resid 53 and name HB2)) 0.0 1.8 5.0 !
assign (resid 52 and name HG )(resid 50 and name HA ) 0.0 1.8 5.0 !
assign (resid 53 and name HG* )(resid 50 and name HB* ) 0.0 1.8 5.0 !
!SER 51
assign (resid 51 and name HA )((resid 54 and name HG1* ) or (resid 54 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 54 and name HG1* ) or (resid 54 and name HG2*))(resid 51 and name HB*) 0.0 1.8 5.0 !
!LEU 52
assign (resid 55 and name HB1 )(resid 52 and name HA ) 0.0 1.8 5.0 !
assign (resid 55 and name HB2 )(resid 52 and name HA ) 0.0 1.8 5.0 !
!GLN 53
!VAL 54 
!ASP 55
!ARG 56
!ASP 57
assign (resid 57 and name HB1 )(resid 60 and name HB* ) 0.0 1.8 5.0 !
assign (resid 57 and name HB2 )(resid 60 and name HB* ) 0.0 1.8 5.0 !
!ALA 58
assign (resid 61 and name HB* )(resid 58 and name HB* ) 0.0 1.8 5.0 !
!ALA 59  
!ARG 60
assign (resid 63 and name HG1 )(resid 60 and name HA ) 0.0 1.8 5.0 !
assign (resid 63 and name HG2 )(resid 60 and name HA ) 0.0 1.8 5.0 !
assign ((resid 63 and name HD1 ) or (resid 63 and name HD2))(resid 60 and name HA ) 0.0 1.8 5.0 !
!SER 61
assign ((resid 64 and name HB1 ) or (resid 64 and name HB2))(resid 61 and name HA ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 61 and name HA ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 61 and name HB* ) 0.0 1.8 5.0 !
assign (resid 61 and name HB* )((resid 65 and name HG1 ) or (resid 65 and name HG2)) 0.0 1.8 5.0 !
!ARG 62
assign (resid 62 and name HA )(resid 65 and name HG1 ) 0.0 1.8 5.0 !
assign (resid 62 and name HA )(resid 65 and name HG2 ) 0.0 1.8 5.0 !
!ARG 63
assign (resid 66 and name HB* )(resid 63 and name HA ) 0.0 1.8 5.0 !  
!LEU 64
assign (resid 67 and name HB1 )(resid 64 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HB2 )(resid 64 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HD* )(resid 64 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HE* )(resid 64 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HG1 )(resid 64 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HG2 )(resid 64 and name HA ) 0.0 1.8 5.0 !
!MET 65
assign (resid 65 and name HE* )((resid 68 and name HN ) or (resid 53 and name HN)) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 68 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 68 and name HD1* ) 0.0 1.8 5.0 ! 
assign (resid 68 and name HB1 )((resid 65 and name HA ) or (resid 68 and name HA)) 0.0 1.8 5.0 !
assign (resid 68 and name HB2 )((resid 65 and name HA ) or (resid 68 and name HA)) 0.0 1.8 5.0 !
!ALA 66
assign (resid 66 and name HA )(resid 69 and name HA ) 0.0 1.8 5.0 !
assign (resid 69 and name HB* )(resid 66 and name HA ) 0.0 1.8 5.0 !
!LYS 67
assign (resid 70 and name HB1 )(resid 67 and name HA ) 0.0 1.8 5.0 !
assign (resid 70 and name HB2 )(resid 67 and name HA ) 0.0 1.8 5.0 !
!LEU 68
assign (resid 68 and name HA )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 68 and name HA )(resid 71 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 68 and name HA )(resid 71 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 71 and name HA )(resid 68 and name HA ) 0.0 1.8 5.0 !
!ALA 69
!ASP 70
assign (resid 73 and name HG* )(resid 70 and name HA ) 0.0 1.8 3.5 !
assign (resid 73 and name HG* )(resid 70 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 73 and name HG* )(resid 70 and name HB2 ) 0.0 1.8 5.0 !  
!PHE 71
!ALA 72
!VAL 73
assign (resid 73 and name HG* )(resid 75 and name HE21 ) 0.0 1.8 5.0 !
assign (resid 73 and name HG* )(resid 75 and name HE22 ) 0.0 1.8 5.0 !
assign (resid 75 and name HG1 )(resid 73 and name HG* ) 0.0 1.8 5.0 !
assign (resid 75 and name HG2 )(resid 73 and name HG* ) 0.0 1.8 5.0 !
!GLU 74 
!GLN 75 
!GLU 76
assign (resid 78 and name HG2* )(resid 76 and name HG1 ) 0.0 1.8 5.0 !
assign (resid 78 and name HG2* )(resid 76 and name HG2 ) 0.0 1.8 5.0 !
assign (resid 78 and name HG2* )(resid 76 and name HB* ) 0.0 1.8 5.0 !
!VAL 77
assign (resid 77 and name HA )(resid 81 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 77 and name HA )(resid 81 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 81 and name HB1 )((resid 77 and name HG1*) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 81 and name HB2 )((resid 77 and name HG1*) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
!THR 78
!ALA 79
!GLY 80
!ASP 81 
!ARG 82
!VAL 83
!VAL 84
assign (resid 86 and name HG2* )(resid 84 and name HG1*) 0.0 1.8 5.0 !
assign (resid 86 and name HG2* )(resid 84 and name HG2*) 0.0 1.8 5.0 !
assign (resid 86 and name HA)((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
!VAL 85
assign (resid 85 and name HB )(resid 89 and name HD1*) 0.0 1.8 5.0 !
assign (resid 85 and name HB )(resid 89 and name HD2*) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 89 and name HD1*) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 89 and name HD2*) 0.0 1.8 5.0 !
assign (resid 88 and name HA*)((resid 85 and name HG1*) or (resid 85 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 89 and name HA )(resid 85 and name HG1*) 0.0 1.8 5.0 !
assign (resid 89 and name HA )(resid 85 and name HG2*) 0.0 1.8 5.0 !
assign (resid 89 and name HB1 )(resid 85 and name HG1*) 0.0 1.8 5.0 !
assign (resid 89 and name HB2 )(resid 85 and name HG1*) 0.0 1.8 5.0 !
assign (resid 89 and name HB1 )(resid 85 and name HG2*) 0.0 1.8 5.0 !
assign (resid 89 and name HB2 )(resid 85 and name HG2*) 0.0 1.8 5.0 !
!ILE 86
!ASP 87
!GLY 88
!LEU 89 
assign (resid 93 and name HA )(resid 89 and name HD1*) 0.0 1.8 5.0 !
assign (resid 93 and name HA )(resid 89 and name HD2*) 0.0 1.8 5.0 !
assign (resid 93 and name HB* )((resid 89 and name HA) or (resid 100 and name HA)) 0.0 1.8 5.0 !
assign (resid 93 and name HB* )(resid 89 and name HD1*) 0.0 1.8 3.5 !
assign (resid 93 and name HB* )(resid 89 and name HD2*) 0.0 1.8 3.5 !
assign (resid 91 and name HD* )(resid 89 and name HD1*) 0.0 1.8 5.0 !
assign (resid 91 and name HD* )(resid 89 and name HD2*) 0.0 1.8 5.0 !
assign (resid 91 and name HG1 )((resid 89 and name HD1*) or (resid 89 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 91 and name HG2 )((resid 89 and name HD1*) or (resid 89 and name HD2*)) 0.0 1.8 5.0 !
!ASP 90
!ARG 91
!MET 92
!ALA 93 
!HIS 94
!PHE 95
assign (resid 95 and name HD* )((resid 99 and name HD1*) or (resid 99 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 95 and name HE* )((resid 99 and name HD1*) or (resid 99 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 96 and name HE* )(resid 95 and name HE*) 0.0 1.8 5.0 !
assign (resid 99 and name HB1 )(resid 95 and name HD*) 0.0 1.8 5.0 !
assign (resid 99 and name HB2 )(resid 95 and name HD*) 0.0 1.8 5.0 !
assign (resid 100 and name HA )(resid 95 and name HB1) 0.0 1.8 5.0 !
assign (resid 100 and name HA )(resid 95 and name HB2) 0.0 1.8 5.0 !
!LYS 96
!ASP 97
assign (resid 97 and name HB* )(resid 99 and name HG) 0.0 1.8 5.0 !
!ASP 98
!LEU 99
!VAL 100 
!LEU 101
!VAL 102
assign (resid 102 and name HA )((resid 100 and name HB) or (resid 101 and name HB*)) 0.0 1.8 5.0 !
!PRO 103
!LEU 104
!THR 105
assign (resid 105 and name HG2* )((resid 107 and name HB1) or (resid 107 and name HB2)) 0.0 1.8 5.0 !
assign (resid 105 and name HG2* )((resid 107 and name HG1) or (resid 107 and name HG2)) 0.0 1.8 5.0 !
assign (resid 105 and name HG2* )(resid 107 and name HE1) 0.0 1.8 5.0 !
assign (resid 105 and name HG2* )(resid 107 and name HE2) 0.0 1.8 5.0 !
!THR 106 
!LYS 107
!VAL 108
assign (resid 108 and name HA )(resid 113 and name HA) 0.0 1.8 3.5 !
assign (resid 108 and name HA )((resid 113 and name HB1) or (resid 113 and name HB2)) 0.0 1.8 5.0 !
assign (resid 108 and name HG1* )(resid 113 and name HA) 0.0 1.8 5.0 !
assign (resid 108 and name HG2* )(resid 113 and name HA) 0.0 1.8 5.0 !
assign (resid 111 and name HA1 )((resid 108 and name HG2*) or (resid 108 and name HG1* )) 0.0 1.8 5.0 !
assign (resid 111 and name HA2 )((resid 108 and name HG2*) or (resid 108 and name HG1* )) 0.0 1.8 5.0 !
assign (resid 113 and name HD* )(resid 108 and name HG1*) 0.0 1.8 5.0 !
assign (resid 113 and name HD* )(resid 108 and name HG2*) 0.0 1.8 5.0 !
assign (resid 108 and name HG1* )((resid 113 and name HB1) or (resid 113 and name HB2)) 0.0 1.8 5.0 !
assign (resid 108 and name HG2* )((resid 113 and name HB1) or (resid 113 and name HB2)) 0.0 1.8 5.0 !
assign ((resid 108 and name HG1* ) or (resid 108 and name HG2*))(resid 113 and name HG1) 0.0 1.8 5.0 !  
assign ((resid 108 and name HG1* ) or (resid 108 and name HG2*))(resid 113 and name HG2) 0.0 1.8 5.0 !
assign (resid 112 and name HA )(resid 108 and name HG1*) 0.0 1.8 5.0 !
assign (resid 112 and name HA )(resid 108 and name HG2*) 0.0 1.8 5.0 !
!VAL 109
assign (resid 109 and name HB )((resid 114 and name HB1) or (resid 114 and name HB2)) 0.0 1.8 5.0 ! 
assign ((resid 109 and name HG1*) or (resid 109 and name HG2*))(resid 112 and name HB*) 0.0 1.8 5.0 !
assign ((resid 109 and name HG1*) or (resid 109 and name HG2*))(resid 114 and name HB*) 0.0 1.8 5.0 ! 
!GLY 110
!GLY 111
!SER 112
!ARG 113 
!CYS 114
!THR 115
assign (resid 115 and name HG2* )(resid 117 and name HA) 0.0 1.8 5.0 !
!ILE 116 
!CYS 117
!ASP 118
assign (resid 118 and name HB1 )((resid 120 and name HG1*) or (resid 120 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 118 and name HB2 )((resid 120 and name HG1*) or (resid 120 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 120 and name HG1* )(resid 118 and name HA) 0.0 1.8 5.0 !
assign (resid 120 and name HG2* )(resid 118 and name HA) 0.0 1.8 5.0 !
!
!levels from 15N-NOESY-HSQC on doubly labelled sample 
!NHSQC from 020408
!lowest 1e+06, factor 1.4, levels 5
!
!
!
!
!.0A = 1-5 levels 
!.5A = 6-9 levels
!.8A = >9 levels
!
!
!
!GLY 1
!LEU 2
!THR 3
!ALA 4
!THR 5
!LEU 6
!ALA 7
!ALA 8
!LEU 9
!THR 10
!ASP 11
!ASP 12
!ASP 13
!PHE 14
!GLN 15
!PHE 16
!LEU 17
!SER 18
assign (resid 64 and name HD1* )(resid 18 and name HN ) 0.0 1.8 5.0 !
assign (resid 64 and name HD2* )(resid 18 and name HN ) 0.0 1.8 5.0 !
!ASP 19
assign (resid 116 and name HD1* )(resid 19 and name HN) 0.0 1.8 5.0 !
!VAL 20
assign (resid 116 and name HD1* )(resid 20 and name HN) 0.0 1.8 5.0 !
!LEU 21
!ASP 22
!CYS 23
assign (resid 23 and name HN )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !  
assign (resid 116 and name HD1* )(resid 23 and name HN) 0.0 1.8 5.0 !
!ARG 24
assign (resid 24 and name HN )(resid 82 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HN )(resid 83 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HN )(resid 82 and name HB* ) 0.0 1.8 5.0 !
assign (resid 24 and name HN )((resid 83 and name HG1* ) or (resid 83 and name HG2*)) 0.0 1.8 5.0 !0
assign (resid 24 and name HN )((resid 77 and name HG1* ) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 84 and name HG1* ) or (resid 84 and name HG2*))(resid 24 and name HN) 0.0 1.8 5.0 !
!ALA 25
assign (resid 25 and name HN )(resid 83 and name HA ) 0.0 1.8 3.5 !      
assign ((resid 84 and name HG1* ) or (resid 84 and name HG2*))(resid 25 and name HN) 0.0 1.8 5.0 !
assign (resid 25 and name HN )(resid 83 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 25 and name HN )(resid 83 and name HG2* ) 0.0 1.8 5.0 !      
assign (resid 77 and name HG1* )(resid 25 and name HN ) 0.0 1.8 5.0 !
assign (resid 77 and name HG2* )(resid 25 and name HN ) 0.0 1.8 5.0 !
!VAL 26
assign (resid 26 and name HN )(resid 72 and name HB* ) 0.0 1.8 5.0 ! 
!ARG 27
assign (resid 27 and name HN )(resid 85 and name HA) 0.0 1.8 3.5 !
assign (resid 27 and name HN )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 27 and name HN )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 83 and name HG1* ) or (resid 83 and name HG2*))(resid 27 and name HN) 0.0 1.8 5.0 !
!SER 28
assign ((resid 36 and name HD1* ) or (resid 36 and name HD2*))(resid 28 and name HN ) 0.0 1.8 5.0 !  
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 28 and name HN) 0.0 1.8 5.0 !
!ALA 29
!MET 30
assign (resid 30 and name HN )((resid 85 and name HA ) or (resid 87 and name HA)) 0.0 1.8 5.0 ! 
!ASN 31
!LEU 32
!ARG 33
!ALA 34
!ALA 35
!LEU 36
!THR 37
!SER 38
!PHE 39
!GLN 40 
!VAL 41
!ALA 42
!GLN 43
assign (resid 43 and name HN )((resid 36 and name HN ) or (resid 45 and name HN)) 0.0 1.8 5.0 !
assign (resid 43 and name HN )((resid 46 and name HB1 ) or (resid 46 and name HB2)) 0.0 1.8 5.0 !
!TYR 44
!ARG 45
assign (resid 45 and name HN )(resid 71 and name HD* ) 0.0 1.8 5.0 !
!ASN 46
!ILE 47
!LEU 48
!ASN 49
!ALA 50
assign (resid 65 and name HE* )(resid 50 and name HN ) 0.0 1.8 5.0 !
!SER 51
!LEU 52
assign (resid 65 and name HE* )(resid 52 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HD1* )(resid 65 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HD2* )(resid 65 and name HN ) 0.0 1.8 5.0 !
!GLN 53
!VAL 54
assign (resid 65 and name HE* )(resid 54 and name HN ) 0.0 1.8 5.0 !
!ASP 55
!ARG 56
!ASP 57
!ALA 58
!ALA 59
!ARG 60
!SER 61
!ARG 62
!ARG 63
!LEU 64
!MET 65
!ALA 66
!LYS 67
assign (resid 21 and name HD1* )(resid 67 and name HN) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )(resid 67 and name HN ) 0.0 1.8 5.0 !
!LEU 68
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 68 and name HN ) 0.0 1.8 5.0 !
!ALA 69
!ASP 70
!PHE 71
!ALA 72
assign (resid 72 and name HN )((resid 26 and name HG1* ) or (resid 26 and name HG2*)) 0.0 1.8 5.0 ! 
!VAL 73
assign (resid 73 and name HN )((resid 26 and name HG1* ) or (resid 26 and name HG2*)) 0.0 1.8 5.0 !
!GLU 74 
!GLN 75
assign (resid 75 and name HE21 )(resid 24 and name HA ) 0.0 1.8 5.0 !
assign (resid 75 and name HE22 )(resid 24 and name HA ) 0.0 1.8 5.0 !
assign (resid 75 and name HE21 )((resid 24 and name HD1 ) or (resid 24 and name HD2)) 0.0 1.8 5.0 !
assign (resid 75 and name HE22 )((resid 24 and name HD1 ) or (resid 24 and name HD2)) 0.0 1.8 5.0 !
!GLN 76
!VAL 77
!THR 78
assign (resid 78 and name HN )(resid 24 and name HG* ) 0.0 1.8 5.0 !
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 78 and name HN) 0.0 1.8 5.0 !
!ALA 79
assign (resid 79 and name HN )(resid 99 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 79 and name HN )(resid 99 and name HD2* ) 0.0 1.8 5.0 ! + 0.61 V108?
assign (resid 79 and name HN )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 119 and name HB )((resid 79 and name HN) or (resid 82 and name HN)) 0.0 1.8 5.0 !
!GLY 80
assign (resid 80 and name HN )(resid 119 and name HN ) 0.0 1.8 5.0 !
assign (resid 80 and name HN )((resid 119 and name HA ) or (resid 120 and name HA)) 0.0 1.8 5.0 !
assign (resid 80 and name HN )(resid 119 and name HB ) 0.0 1.8 5.0 ! 
assign (resid 80 and name HN )(resid 119 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 80 and name HN )(resid 119 and name HG2* ) 0.0 1.8 5.0 ! 
!ASP 81
assign (resid 81 and name HN )(resid 119 and name HN ) 0.0 1.8 5.0 !
assign (resid 81 and name HN )(resid 119 and name HB ) 0.0 1.8 5.0 ! 
assign (resid 81 and name HN )(resid 119 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 81 and name HN )(resid 119 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 81 and name HN )((resid 77 and name HG2* ) or (resid 77 and name HG1*)) 0.0 1.8 5.0 !
!ARG 82
assign (resid 82 and name HN )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 82 and name HE )((resid 116 and name HG2* ) or (resid 104 and name HD*)) 0.0 1.8 5.0 !
!VAL 83
assign (resid 83 and name HN )(resid 117 and name HN ) 0.0 1.8 3.5 !
assign (resid 83 and name HN )(resid 119 and name HN ) 0.0 1.8 5.0 !
assign (resid 83 and name HN )(resid 118 and name HA ) 0.0 1.8 5.0 !
assign (resid 83 and name HN )(resid 117 and name HA ) 0.0 1.8 5.0 !      
assign (resid 83 and name HN )(resid 117 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 83 and name HN )(resid 117 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 83 and name HN )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 83 and name HN )((resid 101 and name HD1* ) or (resid 101 and name HD2*)) 0.0 1.8 5.0 ! 
assign (resid 83 and name HN )(resid 116 and name HG2* ) 0.0 1.8 5.0 !
!VAL 84
assign (resid 84 and name HN )(resid 27 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 84 and name HN )(resid 25 and name HN ) 0.0 1.8 5.0 !
assign (resid 84 and name HN )(resid 26 and name HA ) 0.0 1.8 5.0 !      
assign (resid 84 and name HN )(resid 23 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 84 and name HN )(resid 23 and name HB2 ) 0.0 1.8 5.0 !
!VAL 85
assign (resid 85 and name HN )(resid 115 and name HN ) 0.0 1.8 3.5 !
assign (resid 85 and name HN )(resid 116 and name HA ) 0.0 1.8 3.5 !
assign (resid 85 and name HN )(resid 114 and name HA ) 0.0 1.8 5.0 !      
assign (resid 85 and name HN )(resid 115 and name HB ) 0.0 1.8 5.0 !
!ILE 86
!ASP 87
assign (resid 87 and name HN )((resid 113 and name HB1 ) or (resid 113 and name HB2)) 0.0 1.8 5.0 ! 
!GLY 88
assign (resid 88 and name HN )(resid 115 and name HN ) 0.0 1.8 5.0 !
assign (resid 88 and name HN )(resid 114 and name HA ) 0.0 1.8 5.0 !
assign (resid 88 and name HN )(resid 115 and name HB ) 0.0 1.8 5.0 !
!LEU 89
assign (resid 89 and name HN )(resid 115 and name HN ) 0.0 1.8 5.0 !
assign (resid 89 and name HN )(resid 115 and name HA ) 0.0 1.8 5.0 !
assign (resid 89 and name HN )(resid 115 and name HB ) 0.0 1.8 5.0 !      
assign (resid 115 and name HG2* )(resid 89 and name HN) 0.0 1.8 5.0 !
!ASP 90
!ARG 91
!MET 92
assign (resid 92 and name HN )(resid 103 and name HD1 ) 0.0 1.8 5.0 !
assign (resid 92 and name HN )(resid 103 and name HD2 ) 0.0 1.8 5.0 !
assign (resid 92 and name HN )((resid 102 and name HG2* ) or (resid 102 and name HG1*)) 0.0 1.8 5.0 !
!ALA 93
assign (resid 93 and name HN )(resid 102 and name HA ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 103 and name HD1 ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 103 and name HD2 ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 101 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 101 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )(resid 93 and name HN) 0.0 1.8 5.0 ! 
assign (resid 100 and name HG2* )(resid 93 and name HN) 0.0 1.8 5.0 !
!HIS 94
!PHE 95
assign (resid 95 and name HN )(resid 101 and name HG ) 0.0 1.8 5.0 !
!LYS 96
!ASP 97
!ASP 98
!LEU 99
assign (resid 99 and name HN )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
!VAL 100
assign (resid 100 and name HN )(resid 120 and name HN ) 0.0 1.8 3.5 !
assign (resid 100 and name HN )(resid 122 and name HN ) 0.0 1.8 5.0 !
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 100 and name HN) 0.0 1.8 5.0 !
assign ((resid 120 and name HG1* ) or (resid 120 and name HG2*))(resid 100 and name HN) 0.0 1.8 5.0 !
assign (resid 121 and name HA )(resid 100 and name HN) 0.0 1.8 5.0 !
!LEU 101
assign (resid 101 and name HN )(resid 95 and name HN ) 0.0 1.8 5.0 !
assign (resid 101 and name HN )(resid 93 and name HN ) 0.0 1.8 5.0 !      
assign (resid 101 and name HN )(resid 94 and name HA ) 0.0 1.8 5.0 !
assign (resid 101 and name HN )(resid 95 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 101 and name HN )(resid 95 and name HB2 ) 0.0 1.8 5.0 ! 
!VAL 102
assign (resid 102 and name HN )(resid 118 and name HN ) 0.0 1.8 5.0 !
assign (resid 102 and name HN )(resid 120 and name HN ) 0.0 1.8 5.0 !
assign (resid 102 and name HN )(resid 117 and name HA ) 0.0 1.8 5.0 !      
assign (resid 102 and name HN )(resid 119 and name HA ) 0.0 1.8 5.0 !
assign (resid 102 and name HN )(resid 117 and name HB2 ) 0.0 1.8 5.0 ! 
assign (resid 102 and name HN )(resid 117 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 102 and name HN )((resid 118 and name HB1 ) or (resid 118 and name HB2)) 0.0 1.8 5.0 !
assign (resid 102 and name HN )((resid 120 and name HG1*) or (resid 120 and name HG1*)) 0.0 1.8 5.0 !
!PRO 103
!LEU 104
assign (resid 104 and name HN )(resid 118 and name HN ) 0.0 1.8 5.0 !      
assign (resid 104 and name HN )(resid 117 and name HA ) 0.0 1.8 5.0 !
assign (resid 104 and name HN )(resid 115 and name HG2* ) 0.0 1.8 5.0 !
!THR 105
assign (resid 105 and name HN )(resid 116 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 105 and name HN )(resid 115 and name HA ) 0.0 1.8 5.0 !
assign (resid 105 and name HN )(resid 117 and name HA ) 0.0 1.8 5.0 !      
assign (resid 105 and name HN )(resid 116 and name HB ) 0.0 1.8 5.0 !
assign (resid 105 and name HN )(resid 115 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 105 and name HN )(resid 116 and name HD1* ) 0.0 1.8 5.0 !
!THR 106
!LYS 107
assign (resid 107 and name HN )(resid 114 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 107 and name HN )(resid 116 and name HN ) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 115 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 107 and name HN )(resid 16 and name HZ ) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 16 and name HE* ) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 115 and name HA ) 0.0 1.8 3.5 !
assign (resid 107 and name HN )((resid 114 and name HB1 ) or (resid 114 and name HB2)) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 115 and name HG2* ) 0.0 1.8 5.0 !
!VAL 108
!VAL 109
!GLY 110
!GLY 111
!SER 112
!ARG 113
!CYS 114
!THR 115
assign (resid 115 and name HN )(resid 85 and name HB ) 0.0 1.8 5.0 !      
assign (resid 115 and name HN )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 115 and name HN )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
!ILE 116
assign (resid 116 and name HN )(resid 106 and name HA ) 0.0 1.8 3.5 ! 
assign (resid 116 and name HN )(resid 105 and name HB ) 0.0 1.8 5.0 !
assign (resid 116 and name HN )(resid 105 and name HG2* ) 0.0 1.8 5.0 !     
assign (resid 116 and name HN )(resid 106 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 103 and name HA )(resid 116 and name HN) 0.0 1.8 5.0 !
!CYS 117
assign (resid 117 and name HN )(resid 85 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 117 and name HN )(resid 84 and name HA ) 0.0 1.8 5.0 !
assign (resid 117 and name HN )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 117 and name HN) 0.0 1.8 5.0 !
assign ((resid 101 and name HD1* ) or (resid 101 and name HD2*))(resid 117 and name HN) 0.0 1.8 5.0 !
!ASP 118
assign (resid 118 and name HN )(resid 103 and name HA ) 0.0 1.8 5.0 !
assign (resid 118 and name HN )(resid 102 and name HB ) 0.0 1.8 5.0 !
assign (resid 118 and name HN )(resid 104 and name HB* ) 0.0 1.8 5.0 ! 
assign (resid 118 and name HN )(resid 104 and name HG ) 0.0 1.8 5.0 !
assign (resid 118 and name HN )((resid 102 and name HG1*) or (resid 102 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 118 and name HN )((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 ! 
!VAL 119
assign (resid 119 and name HN )(resid 82 and name HA ) 0.0 1.8 3.5 !
assign (resid 119 and name HN )((resid 80 and name HA* ) or (resid 79 and name HA)) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )(resid 119 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 101 and name HA )(resid 119 and name HN) 0.0 1.8 5.0 !
assign (resid 101 and name HD* )((resid 119 and name HN) or (resid 93 and name HN)) 0.0 1.8 5.0 !
!VAL 120
assign (resid 120 and name HN )(resid 99 and name HA ) 0.0 1.8 5.0 !
assign (resid 101 and name HA )(resid 120 and name HN) 0.0 1.8 3.5 !
assign (resid 120 and name HN )(resid 100 and name HB) 0.0 1.8 5.0 !
assign (resid 120 and name HN )((resid 101 and name HD1* ) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 120 and name HN) 0.0 1.8 5.0 !
!LYS 121
assign (resid 121 and name HN )(resid 79 and name HB* ) 0.0 1.8 5.0 !      
assign (resid 121 and name HN )((resid 100 and name HG1* ) or (resid 100 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 99 and name HD1* ) or (resid 99 and name HD2*))(resid 121 and name HN) 0.0 1.8 5.0 ! 
!GLU 122
assign (resid 122 and name HN )(resid 99 and name HA ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 98 and name HA ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 98 and name HB1 ) 0.0 1.8 5.0 !      
assign (resid 122 and name HN )(resid 98 and name HB2 ) 0.0 1.8 5.0 !
assign ((resid 99 and name HD1* ) or (resid 99 and name HD2*))(resid 122 and name HN) 0.0 1.8 5.0 ! 
assign (resid 100 and name HG1* )(resid 122 and name HN) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 122 and name HN) 0.0 1.8 5.0 !
!GLU 123
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 123 and name HN) 0.0 1.8 5.0 !
!
!
!
!
!levels from 15N-NOESY-HSQC on doubly labelled sample 
!NHSQC from 020408
!
!.0A = 1-5 levels 
!.5A = 6-9 levels
!.8A = >9 levels
!
!levels from 13C-NOESY on doubly labelled sample 
!lowest .7e+06, factor 1.4, levels 10
!
!
!
!GLY 1
!LEU 2
!THR 3
!ALA 4
!THR 5
!LEU 6
!ALA 7
!ALA 8
!LEU 9
!THR 10 
!ASP 11
!ASP 12
!ASP 13
assign (resid 13 and name HA )((resid 107 and name HE2* ) or (resid 107 and name HE1*)) 0.0 1.8 5.0 !
assign (resid 13 and name HA )(resid 107 and name HD1*) 0.0 1.8 5.0 !
assign (resid 13 and name HA )(resid 107 and name HD2*) 0.0 1.8 5.0 !
!PHE 14
assign (resid 14 and name HA )((resid 52 and name HD1* ) or (resid 52 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 52 and name HD1* )(resid 14 and name HD* ) 0.0 1.8 5.0 !
assign (resid 52 and name HD1* )(resid 14 and name HE* ) 0.0 1.8 5.0 !
assign (resid 52 and name HD2* )(resid 14 and name HD* ) 0.0 1.8 5.0 !
assign (resid 52 and name HD2* )(resid 14 and name HE* ) 0.0 1.8 5.0 !
assign (resid 55 and name HA )(resid 14 and name HE*) 0.0 1.8 5.0 !
!GLN 15
!PHE 16 
assign (resid 16 and name HB* )(resid 107 and name HD1 ) 0.0 1.8 5.0 ! 
assign (resid 16 and name HB* )(resid 107 and name HD2 ) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )(resid 16 and name HD*) 0.0 1.8 5.0 ! 
assign (resid 116 and name HD1* )(resid 16 and name HE*) 0.0 1.8 5.0 ! 
assign (resid 107 and name HE1* )(resid 16 and name HB*) 0.0 1.8 5.0 !
assign (resid 107 and name HE2* )(resid 16 and name HB*) 0.0 1.8 5.0 !
assign (resid 107 and name HG1* )(resid 16 and name HB*) 0.0 1.8 5.0 !
assign (resid 107 and name HG2* )(resid 16 and name HB*) 0.0 1.8 5.0 !
assign (resid 105 and name HG2* )(resid 16 and name HB*) 0.0 1.8 5.0 !
!LEU 17
assign (resid 17 and name HB1 )((resid 52 and name HD1* ) or (resid 52 and name HD2*)) 0.0 1.8 5.0 ! !
assign (resid 17 and name HB2 )((resid 52 and name HD1* ) or (resid 52 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 48 and name HA )((resid 109 and name HG* ) or (resid 17 and name HD*)) 0.0 1.8 5.0 ! 
!SER 18
assign ((resid 18 and name HB2 ) or (resid 18 and name HB1))(resid 64 and name HD2* ) 0.0 1.8 5.0 ! 
assign ((resid 18 and name HB2 ) or (resid 18 and name HB1))(resid 64 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 64 and name HD1* )(resid 18 and name HA ) 0.0 1.8 5.0 !
assign (resid 64 and name HD2* )(resid 18 and name HA ) 0.0 1.8 5.0 !
!ASP 19
assign (resid 116 and name HD1* )(resid 19 and name HA) 0.0 1.8 5.0 ! 
assign (resid 116 and name HD1* )(resid 19 and name HB1) 0.0 1.8 5.0 ! 
assign (resid 116 and name HD1* )(resid 19 and name HB2) 0.0 1.8 5.0 ! 
!VAL 20 
assign (resid 20 and name HA )(resid 84 and name HB ) 0.0 1.8 5.0 ! 
assign (resid 20 and name HA )(resid 84 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 20 and name HA )(resid 84 and name HG2* ) 0.0 1.8 5.0 !      
assign (resid 20 and name HA )((resid 116 and name HG12 ) or (resid 116 and name HG11)) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )(resid 20 and name HA) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 44 and name HE* ) 0.0 1.8 5.0 ! 
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 71 and name HE* ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 114 and name HB* ) 0.0 1.8 5.0 ! 
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 84 and name HB ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 48 and name HG ) 0.0 1.8 5.0 !
assign (resid 20 and name HG1* )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 20 and name HG2* )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 20 and name HG1* )(resid 48 and name HD1* ) 0.0 1.8 5.0 ! 
assign (resid 20 and name HG1* )(resid 48 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 20 and name HG2* )(resid 48 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 20 and name HG2* )(resid 48 and name HD2* ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 116 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 20 and name HA) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )(resid 20 and name HB) 0.0 1.8 5.0 ! 
!LEU 21
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 71 and name HA ) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 71 and name HB1 ) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 71 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )(resid 67 and name HB1 ) 0.0 1.8 5.0 !  
assign (resid 21 and name HD2* )(resid 67 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )(resid 67 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )(resid 67 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )(resid 68 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )(resid 68 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )(resid 68 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )(resid 68 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )((resid 67 and name HG1 ) or (resid 67 and name HG2)) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )((resid 67 and name HG1 ) or (resid 67 and name HG2)) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )((resid 64 and name HB1 ) or (resid 64 and name HB2)) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )((resid 64 and name HB1 ) or (resid 64 and name HB2)) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 68 and name HD1* ) 0.0 1.8 5.0 !
assign ((resid 21 and name HD1* ) or (resid 21 and name HD2*))(resid 68 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 21 and name HD1* )((resid 48 and name HD1* ) or (resid 48 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 21 and name HD2* )((resid 48 and name HD1* ) or (resid 48 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 67 and name HB1 ) or (resid 67 and name HB2))(resid 21 and name HB*) 0.0 1.8 5.0 !
assign (resid 67 and name HE* )((resid 21 and name HB1 ) or (resid 21 and name HB2)) 0.0 1.8 5.0 !
assign (resid 67 and name HE* )(resid 21 and name HD1*) 0.0 1.8 5.0 ! 
assign (resid 67 and name HE* )(resid 21 and name HD2*) 0.0 1.8 5.0 !
assign (resid 67 and name HD* )(resid 21 and name HD1*) 0.0 1.8 5.0 !
assign (resid 67 and name HD* )(resid 21 and name HD2*) 0.0 1.8 5.0 !
!ASP 22
!CYS 23
assign (resid 23 and name HA )(resid 82 and name HB* ) 0.0 1.8 5.0 !
assign (resid 23 and name HB1 )(resid 83 and name HA ) 0.0 1.8 5.0 !
assign (resid 23 and name HB2 )(resid 83 and name HA ) 0.0 1.8 5.0 !
assign (resid 23 and name HB1 )(resid 84 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 23 and name HB2 )(resid 84 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 23 and name HB1 )(resid 84 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 23 and name HB2 )(resid 84 and name HG2* ) 0.0 1.8 5.0 ! 
!ARG 24
assign (resid 24 and name HA )(resid 75 and name HE21 ) 0.0 1.8 5.0 !
assign (resid 24 and name HA )(resid 75 and name HE22 ) 0.0 1.8 5.0 !
assign (resid 24 and name HA )(resid 77 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 24 and name HA )(resid 77 and name HG2* ) 0.0 1.8 5.0 !
assign ((resid 24 and name HB1 ) or (resid 24 and name HB2))(resid 81 and name HB1 ) 0.0 1.8 5.0 !
assign ((resid 24 and name HB1 ) or (resid 24 and name HB2))(resid 81 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 24 and name HB1 )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HB2 )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HB1 )(resid 77 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 24 and name HB2 )(resid 77 and name HG1* ) 0.0 1.8 5.0 !      
assign (resid 24 and name HB1 )(resid 77 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HB2 )(resid 77 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HG* )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HG* )((resid 81 and name HB1 ) or (resid 81 and name HB2)) 0.0 1.8 5.0 !
assign (resid 24 and name HG* )((resid 77 and name HG1* ) or (resid 77 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 24 and name HD1 )(resid 77 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HD2 )(resid 77 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HD1 )(resid 77 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HD2 )(resid 77 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HD1 )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HD2 )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 24 and name HD1 )((resid 81 and name HB1 ) or (resid 81 and name HB2)) 0.0 1.8 5.0 !
assign (resid 24 and name HD2 )((resid 81 and name HB1 ) or (resid 81 and name HB2)) 0.0 1.8 5.0 !
!ALA 25
assign (resid 25 and name HB* )(resid 83 and name HA ) 0.0 1.8 5.0 !
assign (resid 25 and name HB* )((resid 77 and name HA ) or (resid 78 and name HA)) 0.0 1.8 5.0 !
assign (resid 25 and name HB* )(resid 83 and name HG1* ) 0.0 1.8 3.5 !
assign (resid 25 and name HB* )(resid 83 and name HG2* ) 0.0 1.8 3.5 !
assign (resid 25 and name HB* )(resid 77 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 25 and name HB* )(resid 77 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 25 and name HB* )((resid 101 and name HD1* ) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
!VAL 26
assign (resid 26 and name HA )(resid 84 and name HB ) 0.0 1.8 5.0 !
assign (resid 26 and name HA )(resid 84 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 26 and name HA )(resid 84 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 26 and name HB )(resid 72 and name HA ) 0.0 1.8 5.0 !      
assign (resid 26 and name HB )(resid 72 and name HB* ) 0.0 1.8 5.0 !
assign (resid 26 and name HB )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 26 and name HG1* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 26 and name HG2* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 26 and name HG1* )(resid 71 and name HE* ) 0.0 1.8 5.0 !      
assign (resid 26 and name HG2* )(resid 71 and name HE* ) 0.0 1.8 5.0 !
assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 44 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 44 and name HE* ) 0.0 1.8 5.0 !
assign (resid 26 and name HG1* )(resid 72 and name HA ) 0.0 1.8 5.0 !
assign (resid 26 and name HG2* )(resid 72 and name HA ) 0.0 1.8 5.0 !
assign (resid 26 and name HG1* )((resid 84 and name HG1* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 26 and name HG2* )((resid 84 and name HG2* ) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 72 and name HA )(resid 26 and name HA ) 0.0 1.8 5.0 !
assign (resid 72 and name HB* )(resid 26 and name HG1* ) 0.0 1.8 3.5 !
assign (resid 72 and name HB* )(resid 26 and name HG2* ) 0.0 1.8 3.5 !
assign (resid 84 and name HB )(resid 26 and name HG1*) 0.0 1.8 5.0 !
assign (resid 84 and name HB )(resid 26 and name HG2*) 0.0 1.8 5.0 !
assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 85 and name HA ) 0.0 1.8 5.0 !
!ARG 27
assign (resid 27 and name HB1 )(resid 85 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 27 and name HB2 )(resid 85 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 27 and name HB1 )(resid 85 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 27 and name HB2 )(resid 85 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 27 and name HB* )((resid 83 and name HG1* ) or (resid 86 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 27 and name HG1 )((resid 83 and name HG1* ) or (resid 86 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 27 and name HG2 )((resid 83 and name HG1* ) or (resid 86 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 35 and name HA )(resid 27 and name HD1 ) 0.0 1.8 5.0 !
assign (resid 35 and name HA )(resid 27 and name HD2 ) 0.0 1.8 5.0 !
assign (resid 35 and name HA )((resid 27 and name HG1 ) or (resid 27 and name HG2)) 0.0 1.8 5.0 !
!SER 28
assign (resid 28 and name HA )(resid 86 and name HB ) 0.0 1.8 5.0 !
assign (resid 28 and name HA )((resid 86 and name HG11 ) or (resid 86 and name HG12)) 0.0 1.8 5.0 !
assign (resid 28 and name HA )(resid 86 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 28 and name HA )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 28 and name HA )((resid 85 and name HG1* ) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 28 and name HB1) or (resid 28 and name HB2))(resid 36 and name HD1*) 0.0 1.8 5.0 !
assign ((resid 28 and name HB1) or (resid 28 and name HB2))(resid 36 and name HD2*) 0.0 1.8 5.0 !
assign (resid 28 and name HB1 )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 28 and name HB2 )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
!ALA 29
assign (resid 29 and name HA )((resid 89 and name HD1* ) or (resid 89 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 29 and name HA) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 29 and name HB*) 0.0 1.8 5.0 !
assign (resid 29 and name HB* )(resid 89 and name HA ) 0.0 1.8 5.0 !
assign (resid 29 and name HB* )(resid 89 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 29 and name HB* )(resid 89 and name HD2* ) 0.0 1.8 5.0 !
!MET 30
!ASN 31
!LEU 32 
assign (resid 32 and name HD1* )((resid 85 and name HA ) or (resid 87 and name HA)) 0.0 1.8 5.0 !
assign (resid 32 and name HD2* )((resid 85 and name HA ) or (resid 87 and name HA)) 0.0 1.8 5.0 !
assign ((resid 32 and name HD1* ) or (resid 32 and name HD2*))(resid 95 and name HA ) 0.0 1.8 5.0 !
assign (resid 32 and name HD1* )(resid 83 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD1* )(resid 83 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD2* )(resid 83 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD2* )(resid 83 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 32 and name HD1* )((resid 101 and name HD1* ) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 32 and name HD2* )((resid 101 and name HD1* ) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
!ARG 33 
!ALA 34
!ALA 35
!LEU 36
assign (resid 36 and name HD1* )(resid 86 and name HD1* ) 0.0 1.8 5.0 ! 
assign (resid 36 and name HD2* )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 86 and name HG2* )((resid 36 and name HD1*) or (resid 36 and name HD2*)) 0.0 1.8 5.0 !
!THR 37
!SER 38
!PHE 39 
!GLN 40
!VAL 41
assign (resid 41 and name HG1* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 41 and name HG2* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 86 and name HD1*) 0.0 1.8 5.0 !
!ALA 42
!GLN 43
!TYR 44 
assign ((resid 44 and name HB1 ) or (resid 44 and name HB2))(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 86 and name HD1* )(resid 44 and name HB1) 0.0 1.8 5.0 !
assign (resid 86 and name HD1* )(resid 44 and name HB2) 0.0 1.8 5.0 !
assign (resid 44 and name HD* )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 86 and name HB ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 84 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 84 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 44 and name HE* )(resid 86 and name HG2* ) 0.0 1.8 5.0 ! 
!ARG 45
assign (resid 45 and name HA )(resid 71 and name HD* ) 0.0 1.8 5.0 ! 
assign (resid 45 and name HA )((resid 68 and name HD1* ) or (resid 68 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 45 and name HG1 ) or (resid 45 and name HG2))(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign ((resid 45 and name HG1 ) or (resid 45 and name HG2))(resid 68 and name HD1* ) 0.0 1.8 5.0 !
assign ((resid 45 and name HG1 ) or (resid 45 and name HG2))(resid 68 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 45 and name HD* )(resid 71 and name HD*) 0.0 1.8 5.0 !
assign (resid 45 and name HD* )(resid 68 and name HD1*) 0.0 1.8 5.0 ! 
assign (resid 45 and name HD* )(resid 68 and name HD2*) 0.0 1.8 5.0 !
!ASN 46
!ILE 47
assign (resid 47 and name HD1* )((resid 112 and name HB1 ) or (resid 112 and name HB2)) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )((resid 112 and name HB1 ) or (resid 112 and name HB2)) 0.0 1.8 5.0 !
assign (resid 110 and name HA* )((resid 47 and name HG11) or (resid 47 and name HG12)) 0.0 1.8 5.0 !
assign (resid 110 and name HA* )(resid 47 and name HG2*) 0.0 1.8 5.0 !
assign (resid 110 and name HA*)(resid 47 and name HD1*) 0.0 1.8 5.0 !
assign ((resid 110 and name HA1) or (resid 110 and name HA2))(resid 47 and name HD1*) 0.0 1.8 5.0 !
!LEU 48
assign ((resid 48 and name HB1 ) or (resid 48 and name HB2))(resid 68 and name HD1* ) 0.0 1.8 5.0 !
assign ((resid 48 and name HB1 ) or (resid 48 and name HB2))(resid 68 and name HD2* ) 0.0 1.8 5.0 !
!ASN 49
assign (resid 49 and name HB1 )(resid 68 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 49 and name HB2 )(resid 68 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 49 and name HB1 )(resid 68 and name HD2* ) 0.0 1.8 5.0 !      
assign (resid 49 and name HB2 )(resid 68 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 49 and name HD21 ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 49 and name HD22 ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 49 and name HA ) 0.0 1.8 5.0 !
!ALA 50
!SER 51
!LEU 52
assign (resid 64 and name HB1 )((resid 52 and name HD1* ) or (resid 52 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 64 and name HB2 )((resid 52 and name HD1* ) or (resid 52 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 65 and name HG1 )(resid 52 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 65 and name HG1 )(resid 52 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 65 and name HG2 )(resid 52 and name HD2* ) 0.0 1.8 5.0 ! 
assign (resid 65 and name HG2 )(resid 52 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 65 and name HG1 )((resid 52 and name HB2* ) or (resid 52 and name HB1*)) 0.0 1.8 5.0 !
assign (resid 65 and name HG2 )((resid 52 and name HB1* ) or (resid 52 and name HB2*)) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )((resid 52 and name HB1* ) or (resid 52 and name HB2*)) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 52 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 52 and name HD1* ) 0.0 1.8 5.0 !
!GLN 53
assign (resid 53 and name HA )(resid 65 and name HE* ) 0.0 1.8 5.0 ! 
assign (resid 65 and name HE* )(resid 53 and name HE21 ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 53 and name HE22 ) 0.0 1.8 5.0 !
assign (resid 65 and name HE* )(resid 53 and name HG* ) 0.0 1.8 5.0 ! 
!VAL 54 
!ASP 55
assign (resid 61 and name HB* )(resid 55 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 61 and name HB* )(resid 55 and name HB2 ) 0.0 1.8 5.0 !
!ARG 56
!ASP 57
!ALA 58
!ALA 59  
!ARG 60 
!SER 61
!ARG 62
!ARG 63
!LEU 64
!MET 65
!ALA 66
!LYS 67 
!LEU 68
!ALA 69
!ASP 70 
!PHE 71
!ALA 72
!VAL 73
!GLU 74 
!GLN 75
!GLU 76
!VAL 77 
assign (resid 77 and name HB )(resid 95 and name HE* ) 0.0 1.8 5.0 !
assign (resid 95 and name HZ )(resid 77 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 95 and name HZ )(resid 77 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 77 and name HG1* )(resid 95 and name HE* ) 0.0 1.8 5.0 !
assign (resid 77 and name HG2* )(resid 95 and name HE* ) 0.0 1.8 5.0 !
assign ((resid 83 and name HG1* ) or (resid 83 and name HG2*))(resid 77 and name HG1*) 0.0 1.8 5.0 !
assign ((resid 83 and name HG1* ) or (resid 83 and name HG2*))(resid 77 and name HG2*) 0.0 1.8 5.0 !
assign (resid 96 and name HE* )(resid 77 and name HB ) 0.0 1.8 5.0 !
assign (resid 96 and name HE* )((resid 77 and name HA ) or (resid 78 and name HA)) 0.0 1.8 5.0 !
!THR 78
assign (resid 78 and name HA )(resid 99 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 78 and name HA )(resid 99 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 78 and name HA )((resid 119 and name HG1* ) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
!ALA 79
assign (resid 79 and name HA )(resid 119 and name HB) 0.0 1.8 3.5 !
assign (resid 79 and name HA )(resid 119 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 79 and name HA )(resid 119 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 79 and name HA )(resid 99 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 79 and name HA )(resid 99 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )(resid 121 and name HE*) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )(resid 119 and name HB ) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )(resid 121 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )(resid 121 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 79 and name HB* )((resid 99 and name HD1* ) or (resid 99 and name HD2* )) 0.0 1.8 5.0 !
assign (resid 119 and name HG1* )(resid 79 and name HB*) 0.0 1.8 5.0 !
assign (resid 119 and name HG2* )(resid 79 and name HB*) 0.0 1.8 5.0 !
assign (resid 120 and name HA )(resid 79 and name HA) 0.0 1.8 5.0 !
assign (resid 120 and name HA )(resid 79 and name HB*) 0.0 1.8 5.0 !
!GLY 80
!ASP 81
assign (resid 81 and name HA )((resid 119 and name HG1*) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 81 and name HB1 )((resid 119 and name HG1*) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 81 and name HB2 )((resid 119 and name HG1*) or (resid 119 and name HG2*))0.0 1.8 5.0 !
!ARG 82
assign (resid 82 and name HA)(resid 118 and name HA) 0.0 1.8 3.5 ! 
assign (resid 82 and name HA)(resid 119 and name HB) 0.0 1.8 5.0 !
assign (resid 82 and name HA)((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 119 and name HG1* )(resid 82 and name HA) 0.0 1.8 5.0 !
assign (resid 119 and name HG2* )(resid 82 and name HA) 0.0 1.8 5.0 !
assign (resid 118 and name HA )(resid 82 and name HB*) 0.0 1.8 5.0 !
assign (resid 116 and name HA )(resid 82 and name HG*) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 82 and name HA) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 82 and name HD1) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 82 and name HD2) 0.0 1.8 5.0 !
assign (resid 118 and name HA )((resid 82 and name HD1) or (resid 82 and name HD2)) 0.0 1.8 5.0 !
!VAL 83
assign (resid 101 and name HD1* )(resid 83 and name HB) 0.0 1.8 5.0 !
assign (resid 101 and name HD2* )(resid 83 and name HB) 0.0 1.8 5.0 !
assign (resid 83 and name HG1* )(resid 95 and name HE*) 0.0 1.8 5.0 !
assign (resid 83 and name HG2* )(resid 95 and name HE*) 0.0 1.8 5.0 !
assign (resid 95 and name HZ)((resid 83 and name HG1*) or (resid 83 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 83 and name HG1* )((resid 101 and name HD1*) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 83 and name HG2* )((resid 101 and name HD1*) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 101 and name HD1* )((resid 83 and name HG1*) or (resid 83 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 101 and name HD2* )((resid 83 and name HG1*) or (resid 83 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 117 and name HB1 )(resid 83 and name HB) 0.0 1.8 5.0 !
assign (resid 117 and name HB2 )(resid 83 and name HB) 0.0 1.8 5.0 !
assign ((resid 117 and name HB2 ) or (resid 117 and name HB1))(resid 83 and name HG1*) 0.0 1.8 5.0 !
assign ((resid 117 and name HB2 ) or (resid 117 and name HB1))(resid 83 and name HG2*) 0.0 1.8 5.0 !
!VAL 84
assign (resid 84 and name HA )(resid 116 and name HA) 0.0 1.8 3.5 !
assign (resid 84 and name HA )(resid 116 and name HG2*) 0.0 1.8 5.0 !
assign (resid 84 and name HA )((resid 116 and name HG11) or (resid 116 and name HG12)) 0.0 1.8 5.0 !  
assign (resid 116 and name HA )(resid 84 and name HB) 0.0 1.8 5.0 !
assign (resid 116 and name HA )((resid 84 and name HG1*) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 84 and name HB) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )(resid 84 and name HA) 0.0 1.8 5.0 ! 
assign (resid 116 and name HD1* )(resid 84 and name HB) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )((resid 84 and name HG2*) or (resid 84 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 119 and name HG* )((resid 99 and name HA) or (resid 84 and name HA)) 0.0 1.8 5.0 !
!VAL 85
assign (resid 85 and name HB )(resid 115 and name HB) 0.0 1.8 5.0 !
assign (resid 85 and name HB )(resid 115 and name HG2*) 0.0 1.8 5.0 !
assign (resid 89 and name HB1 )((resid 108 and name HB) or (resid 85 and name HB)) 0.0 1.8 5.0 !
assign (resid 89 and name HB2 )((resid 108 and name HB) or (resid 85 and name HB)) 0.0 1.8 5.0 !
assign (resid 115 and name HA )((resid 85 and name HB) or (resid 116 and name HB)) 0.0 1.8 5.0 !
assign (resid 115 and name HB )(resid 85 and name HG1*) 0.0 1.8 5.0 !
assign (resid 115 and name HB )(resid 85 and name HG2*) 0.0 1.8 5.0 !
!ILE 86
assign (resid 86 and name HA)(resid 115 and name HN ) 0.0 1.8 5.0 !
assign (resid 114 and name HA )(resid 86 and name HA) 0.0 1.8 3.5 !
!ASP 87
!GLY 88
assign (resid 88 and name HA1 )(resid 115 and name HA) 0.0 1.8 5.0 ! 
assign (resid 88 and name HA2 )(resid 115 and name HA) 0.0 1.8 5.0 !
assign (resid 88 and name HA1 )(resid 113 and name HD*) 0.0 1.8 5.0 !
assign (resid 88 and name HA2 )(resid 113 and name HD*) 0.0 1.8 5.0 !
assign (resid 88 and name HA1 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 88 and name HA2 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 113 and name HB1 )(resid 88 and name HA1) 0.0 1.8 5.0 !
assign (resid 113 and name HB2 )(resid 88 and name HA1) 0.0 1.8 5.0 !
assign (resid 113 and name HB1 )(resid 88 and name HA2) 0.0 1.8 5.0 !
assign (resid 113 and name HB2 )(resid 88 and name HA2) 0.0 1.8 5.0 !
assign (resid 114 and name HA )((resid 88 and name HA1) or (resid 88 and name HA2)) 0.0 1.8 5.0 !
assign (resid 115 and name HB )(resid 88 and name HA1) 0.0 1.8 5.0 !
assign (resid 115 and name HB )(resid 88 and name HA2) 0.0 1.8 5.0 !
!LEU 89
assign ((resid 89 and name HB1 ) or (resid 89 and name HB2))(resid 115 and name HB) 0.0 1.8 5.0 !
assign (resid 89 and name HB1 )(resid 115 and name HG2*) 0.0 1.8 5.0 !
assign (resid 89 and name HB2 )(resid 115 and name HG2*) 0.0 1.8 5.0 !
assign ((resid 89 and name HD1*) or (resid 89 and name HD2*))(resid 103 and name HD1) 0.0 1.8 5.0 ! 
assign ((resid 89 and name HD1*) or (resid 89 and name HD2*))(resid 103 and name HD2) 0.0 1.8 5.0 !
assign ((resid 89 and name HD1*) or (resid 89 and name HD2*))(resid 103 and name HB*) 0.0 1.8 5.0 !
assign (resid 103 and name HA )((resid 89 and name HB1) or (resid 89 and name HB2)) 0.0 1.8 5.0 !
!ASP 90
assign (resid 90 and name HA )((resid 103 and name HG1) or (resid 103 and name HG2)) 0.0 1.8 5.0 !
!ARG 91
assign (resid 91 and name HA )((resid 103 and name HD1) or (resid 103 and name HD2)) 0.0 1.8 5.0 !
assign (resid 103 and name HG1)(resid 91 and name HA) 0.0 1.8 5.0 !
assign (resid 103 and name HG2)(resid 91 and name HA) 0.0 1.8 5.0 !
!MET 92
assign (resid 92 and name HA )(resid 102 and name HA) 0.0 1.8 3.5 !
assign (resid 103 and name HD1 )(resid 92 and name HA) 0.0 1.8 5.0 !
assign (resid 103 and name HD2 )(resid 92 and name HA) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )(resid 92 and name HA) 0.0 1.8 5.0 ! 
assign (resid 100 and name HG2* )(resid 92 and name HA) 0.0 1.8 5.0 ! 
assign (resid 92 and name HA )((resid 102 and name HG1*) or (resid 102 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 92 and name HG1 )((resid 103 and name HD1) or (resid 103 and name HD2)) 0.0 1.8 5.0 !
assign (resid 92 and name HG2 )((resid 103 and name HD1) or (resid 103 and name HD2)) 0.0 1.8 5.0 !
assign (resid 92 and name HG1 )(resid 100 and name HB) 0.0 1.8 5.0 !
assign (resid 92 and name HG2 )(resid 100 and name HB) 0.0 1.8 5.0 !
assign (resid 92 and name HG1 )((resid 102 and name HG1*) or (resid 102 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 92 and name HG2 )((resid 102 and name HG1*) or (resid 102 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 92 and name HE* )(resid 102 and name HA) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )(resid 92 and name HG1) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 92 and name HG1) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )(resid 92 and name HG2) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 92 and name HG2) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )((resid 92 and name HB1) or (resid 92 and name HB2)) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )((resid 92 and name HB1) or (resid 92 and name HB2)) 0.0 1.8 5.0 !
assign (resid 102 and name HA )(resid 92 and name HG1) 0.0 1.8 5.0 !
assign (resid 102 and name HA )(resid 92 and name HG2) 0.0 1.8 5.0 !
assign (resid 92 and name HB1 )(resid 102 and name HA) 0.0 1.8 5.0 !
assign (resid 92 and name HB2 )(resid 102 and name HA) 0.0 1.8 5.0 !
assign (resid 92 and name HB1 )(resid 103 and name HD*) 0.0 1.8 5.0 !
assign (resid 92 and name HB2 )(resid 103 and name HD*) 0.0 1.8 5.0 !
!ALA 93
assign (resid 100 and name HG1* )(resid 93 and name HA) 0.0 1.8 5.0 ! 
assign (resid 100 and name HG2* )(resid 93 and name HA) 0.0 1.8 5.0 ! 
assign (resid 93 and name HB* )((resid 85 and name HG1*) or (resid 85 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 93 and name HB*) 0.0 1.8 5.0 !
assign (resid 101 and name HD1* )(resid 93 and name HB*) 0.0 1.8 5.0 !
assign (resid 101 and name HD2* )(resid 93 and name HB*) 0.0 1.8 5.0 !
!HIS 94
assign (resid 100 and name HA )(resid 94 and name HA) 0.0 1.8 3.5 !8d
assign (resid 94 and name HA )((resid 101 and name HB1) or (resid 101 and name HB2)) 0.0 1.8 5.0 !
assign (resid 100 and name HG1* )(resid 94 and name HA) 0.0 1.8 5.0 ! 
assign (resid 100 and name HG2* )(resid 94 and name HA) 0.0 1.8 5.0 !
assign (resid 94 and name HD2 )((resid 100 and name HG1*) or (resid 100 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 94 and name HE1 )(resid 96 and name HA) 0.0 1.8 5.0 !
assign (resid 94 and name HB1 )(resid 100 and name HA) 0.0 1.8 5.0 !
assign (resid 94 and name HB2 )(resid 100 and name HA) 0.0 1.8 5.0 !
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 94 and name HB1) 0.0 1.8 5.0 !
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 94 and name HB2) 0.0 1.8 5.0 !
!PHE 95
assign (resid 95 and name HB1 )(resid 101 and name HD2*) 0.0 1.8 5.0 !
assign (resid 95 and name HB2 )(resid 101 and name HD2*) 0.0 1.8 5.0 !
assign (resid 95 and name HB1 )(resid 101 and name HD1*) 0.0 1.8 5.0 !
assign (resid 95 and name HB2 )(resid 101 and name HD1*) 0.0 1.8 5.0 ! 
assign (resid 95 and name HD* )(resid 101 and name HD1*) 0.0 1.8 5.0 !
assign (resid 95 and name HD* )(resid 101 and name HD2*) 0.0 1.8 5.0 !
assign (resid 95 and name HE* )((resid 101 and name HD1*) or (resid 101 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 101 and name HG )((resid 95 and name HB1) or (resid 95 and name HB2)) 0.0 1.8 5.0 !
assign (resid 101 and name HD* )((resid 104 and name HA) or (resid 95 and name HA)) 0.0 1.8 5.0 !
!LYS 96
assign (resid 96 and name HE* )((resid 119 and name HG1*) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
!ASP 97
!ASP 98
assign (resid 98 and name HA )((resid 123 and name HG*) or (resid 122 and name HG*)) 0.0 1.8 5.0 !
assign (resid 98 and name HA )(resid 122 and name HB1) 0.0 1.8 5.0 !
assign (resid 98 and name HA )(resid 122 and name HB2) 0.0 1.8 5.0 !
assign (resid 98 and name HB1 )(resid 121 and name HE*) 0.0 1.8 5.0 !
assign (resid 98 and name HB2 )(resid 121 and name HE*) 0.0 1.8 5.0 !
assign (resid 98 and name HB1 )((resid 123 and name HG*) or (resid 122 and name HG*)) 0.0 1.8 5.0 !
assign (resid 98 and name HB2 )((resid 123 and name HG*) or (resid 122 and name HG*)) 0.0 1.8 5.0 !
assign (resid 98 and name HB1 )((resid 123 and name HB*) or (resid 122 and name HB*)) 0.0 1.8 5.0 !
assign (resid 98 and name HB1 )((resid 123 and name HB*) or (resid 122 and name HB*)) 0.0 1.8 5.0 !
!LEU 99 
assign (resid 99 and name HA )(resid 121 and name HA) 0.0 1.8 3.5 !
assign (resid 99 and name HA )(resid 121 and name HB1) 0.0 1.8 5.0 !
assign (resid 99 and name HA )(resid 121 and name HB2) 0.0 1.8 5.0 !
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 99 and name HB1) 0.0 1.8 5.0 !
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 99 and name HB2) 0.0 1.8 5.0 !
assign (resid 121 and name HA )((resid 99 and name HD1*) or (resid 99 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 121 and name HB1 )((resid 99 and name HD2*) or (resid 99 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 121 and name HB2 )((resid 99 and name HD2*) or (resid 99 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 121 and name HG1 )((resid 99 and name HD2*) or (resid 99 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 121 and name HG2 )((resid 99 and name HD2*) or (resid 99 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 121 and name HE* )((resid 99 and name HD1*) or (resid 99 and name HD2*)) 0.0 1.8 5.0 !
!VAL 100
assign (resid 100 and name HG1* )(resid 122 and name HA) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 122 and name HA) 0.0 1.8 5.0 !
assign (resid 122 and name HG*)(resid 100 and name HG1*) 0.0 1.8 5.0 ! 
assign (resid 122 and name HG*)(resid 100 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 120 and name HB )((resid 100 and name HG2*) or (resid 100 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 122 and name HB1 )(resid 100 and name HG1*) 0.0 1.8 5.0 ! 
assign (resid 122 and name HB1 )(resid 100 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 122 and name HB2 )(resid 100 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 122 and name HB2 )(resid 100 and name HG1*) 0.0 1.8 5.0 ! 
!LEU 101
assign (resid 101 and name HA )(resid 117 and name HB1) 0.0 1.8 5.0 !
assign (resid 101 and name HA )(resid 117 and name HB2) 0.0 1.8 5.0 !
assign ((resid 101 and name HA ) or (resid 118 and name HA))(resid 120 and name HG1*) 0.0 1.8 5.0 !
assign ((resid 101 and name HA ) or (resid 118 and name HA))(resid 120 and name HG2*) 0.0 1.8 5.0 !
assign (resid 101 and name HA )(resid 119 and name HG1*) 0.0 1.8 5.0 !
assign (resid 101 and name HA )(resid 119 and name HG2*) 0.0 1.8 5.0 !
assign (resid 101 and name HB* )((resid 118 and name HB*) or (resid 117 and name HB*)) 0.0 1.8 5.0 !
assign ((resid 101 and name HD1* ) or (resid 101 and name HD2*))(resid 119 and name HA) 0.0 1.8 5.0 ! 
assign (resid 101 and name HD1* )(resid 117 and name HB1) 0.0 1.8 5.0 !
assign (resid 101 and name HD2* )(resid 117 and name HB1) 0.0 1.8 5.0 !
assign (resid 101 and name HD1* )(resid 117 and name HB2) 0.0 1.8 5.0 !
assign (resid 101 and name HD2* )(resid 117 and name HB2) 0.0 1.8 5.0 !
assign ((resid 101 and name HD1* ) or (resid 101 and name HD2*))(resid 119 and name HB) 0.0 1.8 5.0 ! 
assign (resid 119 and name HA )(resid 101 and name HA) 0.0 1.8 3.5 ! 
assign (resid 119 and name HG1* )((resid 101 and name HD2*) or (resid 101 and name HD1*)) 0.0 1.8 5.0 !
assign (resid 119 and name HG2* )((resid 101 and name HD2*) or (resid 101 and name HD1*)) 0.0 1.8 5.0 !
!VAL 102
assign (resid 102 and name HB )(resid 118 and name HB1) 0.0 1.8 5.0 ! 
assign (resid 102 and name HB )(resid 118 and name HB2) 0.0 1.8 5.0 ! 
assign (resid 117 and name HA )(resid 102 and name HB) 0.0 1.8 5.0 !
!PRO 103
assign (resid 103 and name HA )(resid 117 and name HA) 0.0 1.8 5.0 !
assign (resid 103 and name HA )(resid 117 and name HB1) 0.0 1.8 5.0 !
assign (resid 103 and name HA )(resid 117 and name HB2) 0.0 1.8 5.0 !
assign (resid 103 and name HA )(resid 115 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 115 and name HG2* )((resid 103 and name HB1) or (resid 103 and name HB2)) 0.0 1.8 5.0 ! 
!LEU 104
assign (resid 104 and name HB* )(resid 117 and name HA) 0.0 1.8 5.0 !
assign (resid 104 and name HB* )(resid 116 and name HA) 0.0 1.8 5.0 ! 
assign (resid 104 and name HB* )(resid 116 and name HB) 0.0 1.8 5.0 ! 
assign (resid 104 and name HB* )((resid 116 and name HG1*) or (resid 104 and name HG*)) 0.0 1.8 5.0 !
assign (resid 104 and name HB* )(resid 116 and name HG2*) 0.0 1.8 5.0 !
assign (resid 104 and name HG )(resid 117 and name HA) 0.0 1.8 5.0 !
assign (resid 117 and name HA )((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 118 and name HA )((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 ! 
assign (resid 118 and name HB1 )((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 118 and name HB2 )((resid 104 and name HD1*) or (resid 104 and name HD2*)) 0.0 1.8 5.0 !
!THR 105
assign (resid 105 and name HB )(resid 116 and name HB) 0.0 1.8 5.0 !
assign (resid 105 and name HB )(resid 116 and name HD1*) 0.0 1.8 5.0 !
assign (resid 105 and name HB )(resid 116 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 105 and name HG2* )(resid 115 and name HA) 0.0 1.8 5.0 !
assign (resid 115 and name HA )(resid 105 and name HA) 0.0 1.8 5.0 !
assign (resid 116 and name HB )(resid 105 and name HG2*) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )(resid 105 and name HG2*) 0.0 1.8 5.0 !
assign (resid 116 and name HD1* )(resid 105 and name HG2*) 0.0 1.8 5.0 !
!THR 106 
assign (resid 106 and name HA )(resid 115 and name HA) 0.0 1.8 3.5 ! 
assign (resid 106 and name HA )(resid 115 and name HB) 0.0 1.8 5.0 !
assign (resid 106 and name HA )(resid 115 and name HG2*) 0.0 1.8 5.0 !
assign (resid 106 and name HB )(resid 115 and name HA) 0.0 1.8 5.0 ! 
assign (resid 106 and name HG2* )(resid 115 and name HA) 0.0 1.8 5.0 !
assign (resid 106 and name HG2* )(resid 113 and name HD*) 0.0 1.8 5.0 !
assign (resid 114 and name HA )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 115 and name HG2* )(resid 106 and name HB) 0.0 1.8 5.0 !
assign (resid 113 and name HB1 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 113 and name HB2 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 113 and name HG1 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
assign (resid 113 and name HG2 )(resid 106 and name HG2*) 0.0 1.8 5.0 !
!LYS 107
!VAL 108
!VAL 109
!GLY 110
!GLY 111
!SER 112 
!ARG 113 
!CYS 114
!THR 115
!ILE 116 
!CYS 117 
!ASP 118
!VAL 119 
!VAL 120
!LYS 121 
!GLU 122
!GLU 123
!!levels from 15N-NOESY-HSQC on doubly labelled sample 
!NHSQC from 020408
!lowest 1e+06, factor 1.4, levels 5
!
!
!
!
!.0A = 1-5 levels 
!.5A = 6-9 levels
!.8A = >9 levels
!
!
!
!GLY 1
!LEU 2
!THR 3
!ALA 4
!THR 5
!LEU 6
!ALA 7
assign (resid 7 and name HN )(resid 6 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 8 and name HB*)(resid 7 and name HN ) 0.0 1.8 5.0 ! 
!ALA 8
assign (resid 8 and name HN )(resid 7 and name HN ) 0.0 1.8 5.0 !
assign (resid 8 and name HN )(resid 7 and name HA ) 0.0 1.8 3.5 !
assign (resid 8 and name HN )((resid 7 and name HB* ) or (resid 8 and name HB*)) 0.0 1.8 5.0 ! 
assign (resid 9 and name HA)(resid 8 and name HN ) 0.0 1.8 5.0 !
assign (resid 8 and name HB*)(resid 9 and name HN ) 0.0 1.8 5.0 ! 
!LEU 9
assign (resid 9 and name HN )(resid 10 and name HN ) 0.0 1.8 5.0 !
assign (resid 9 and name HN )(resid 8 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 9 and name HN )((resid 8 and name HB* ) or (resid 7 and name HB*)) 0.0 1.8 5.0 ! 
!THR 10
assign (resid 10 and name HN )(resid 9 and name HA ) 0.0 1.8 3.5 !
assign (resid 10 and name HN )(resid 9 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 10 and name HN )(resid 9 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 10 and name HN )(resid 9 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 10 and name HN )(resid 9 and name HD1* ) 0.0 1.8 5.0 !
!ASP 11
!ASP 12
!ASP 13
assign (resid 13 and name HN )(resid 14 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 13 and name HN )(resid 12 and name HN ) 0.0 1.8 5.0 !
assign (resid 13 and name HN )(resid 12 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 13 and name HN )(resid 12 and name HB* ) 0.0 1.8 5.0 !
!PHE 14
assign (resid 15 and name HN )(resid 14 and name HN ) 0.0 1.8 3.5 !
assign (resid 14 and name HN )(resid 13 and name HA ) 0.0 1.8 5.0 !
assign (resid 14 and name HN )(resid 13 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 14 and name HN )(resid 13 and name HB2 ) 0.0 1.8 5.0 !
!GLN 15
assign (resid 15 and name HN )(resid 16 and name HN ) 0.0 1.8 3.5 ! 
assign (resid 15 and name HN )(resid 14 and name HN ) 0.0 1.8 3.5 !
assign (resid 15 and name HN )(resid 14 and name HD* ) 0.0 1.8 5.0 !
assign (resid 15 and name HN )(resid 14 and name HA ) 0.0 1.8 5.0 !
assign (resid 15 and name HN )(resid 16 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 15 and name HN )(resid 16 and name HB* ) 0.0 1.8 5.0 !
assign (resid 15 and name HN )(resid 14 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 15 and name HN )(resid 14 and name HB2 ) 0.0 1.8 5.0 !
!PHE 16
assign (resid 16 and name HN )(resid 17 and name HN ) 0.0 1.8 5.0 !
assign (resid 16 and name HN )(resid 15 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 16 and name HN )(resid 15 and name HB1 ) 0.0 1.8 5.0 !    
assign (resid 15 and name HA )(resid 16 and name HN ) 0.0 1.8 5.0 !
!LEU 17
assign (resid 17 and name HN )(resid 18 and name HN ) 0.0 1.8 3.5 !
assign (resid 17 and name HN )(resid 16 and name HD* ) 0.0 1.8 5.0 ! 
assign (resid 17 and name HN )(resid 16 and name HA ) 0.0 1.8 5.0 !
assign (resid 17 and name HN )(resid 16 and name HB*) 0.0 1.8 5.0 !
!SER 18
assign (resid 18 and name HN )(resid 19 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 18 and name HN )(resid 17 and name HB1 ) 0.0 1.8 5.0 ! 
assign (resid 18 and name HN )(resid 17 and name HB2 ) 0.0 1.8 5.0 !     
assign (resid 18 and name HN )((resid 17 and name HD1* ) or (resid 17 and name HD2* )) 0.0 1.8 5.0 ! 
!ASP 19
assign (resid 19 and name HN )(resid 20 and name HN ) 0.0 1.8 3.5 !
assign (resid 18 and name HB1 )(resid 19 and name HN ) 0.0 1.8 5.0 !
assign (resid 18 and name HB2 )(resid 19 and name HN ) 0.0 1.8 5.0 !
assign (resid 19 and name HN )((resid 20 and name HG1* ) or (resid 20 and name HG2*)) 0.0 1.8 5.0 !
!VAL 20
assign (resid 20 and name HN )(resid 21 and name HN ) 0.0 1.8 3.5 !     
assign (resid 20 and name HN )(resid 19 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )(resid 19 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )(resid 19 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )(resid 21 and name HG ) 0.0 1.8 5.0 !
assign (resid 20 and name HN )((resid 21 and name HD1* ) or (resid 21 and name HD2*)) 0.0 1.8 5.0 !  
!LEU 21
assign (resid 21 and name HN )(resid 22 and name HN ) 0.0 1.8 5.0 !     
assign (resid 21 and name HN )(resid 20 and name HA ) 0.0 1.8 5.0 !
assign (resid 21 and name HN )(resid 20 and name HB ) 0.0 1.8 5.0 !
assign (resid 21 and name HN )(resid 20 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 21 and name HN )(resid 20 and name HG2* ) 0.0 1.8 5.0 !     
!ASP 22
assign (resid 22 and name HN )(resid 21 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 22 and name HN )(resid 21 and name HB1) 0.0 1.8 5.0 !
assign (resid 22 and name HN )(resid 21 and name HB2) 0.0 1.8 5.0 !
assign (resid 22 and name HN )(resid 21 and name HG ) 0.0 1.8 5.0 !
assign (resid 22 and name HN )((resid 21 and name HD1* ) or (resid 21 and name HD2*)) 0.0 1.8 5.0 !  
!assign (resid 23 and name HA )((resid 22 and name HN ) or (resid 25 and name HN)) 0.0 1.8 5.0 !
!CYS 23
assign (resid 23 and name HN )(resid 24 and name HN ) 0.0 1.8 5.0 !
assign (resid 23 and name HN )(resid 22 and name HN ) 0.0 1.8 3.5 !
assign (resid 23 and name HN )(resid 22 and name HA ) 0.0 1.8 5.0 !
assign (resid 23 and name HN )((resid 24 and name HD1 ) or (resid 24 and name HD2)) 0.0 1.8 5.0 !
assign (resid 23 and name HN )((resid 22 and name HB1 ) or (resid 22 and name HB2)) 0.0 1.8 5.0 !
!ARG 24
!assign (resid 24 and name HN )(resid 25 and name HN ) 0.0 1.8 3.5 !
!assign (resid 23 and name HA )(resid 24 and name HN ) 0.0 1.8 3.5 !
assign (resid 24 and name HN )(resid 23 and name HB1 ) 0.0 1.8 5.0 !      
assign (resid 24 and name HN )(resid 23 and name HB2 ) 0.0 1.8 5.0 !
!ALA 25
!assign (resid 25 and name HN )(resid 24 and name HA ) 0.0 1.8 3.5 !  
assign (resid 25 and name HN )((resid 24 and name HD1 ) or (resid 24 and name HD2)) 0.0 1.8 5.0 !
assign (resid 25 and name HN )(resid 24 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 25 and name HN )(resid 24 and name HB2 ) 0.0 1.8 5.0 !
!assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 25 and name HN ) 0.0 1.8 5.0 ! 2
!VAL 26
assign (resid 26 and name HN )(resid 25 and name HA ) 0.0 1.8 3.5 !
assign (resid 26 and name HN )(resid 25 and name HB* ) 0.0 1.8 3.5 !
!ARG 27
assign (resid 27 and name HN )(resid 26 and name HA ) 0.0 1.8 3.5 !
assign (resid 27 and name HN )(resid 26 and name HG1* ) 0.0 1.8 5.0 ! 
assign (resid 27 and name HN )(resid 26 and name HG2* ) 0.0 1.8 5.0 !
!SER 28
assign (resid 28 and name HN )(resid 27 and name HA ) 0.0 1.8 5.0 !
assign (resid 28 and name HN )(resid 27 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 28 and name HN )(resid 27 and name HB2 ) 0.0 1.8 5.0 !      
!ALA 29
!MET 30
assign (resid 30 and name HN )(resid 29 and name HA ) 0.0 1.8 5.0 !
assign (resid 30 and name HN )(resid 29 and name HB* ) 0.0 1.8 5.0 ! 
!ASN 31
assign (resid 31 and name HN )(resid 30 and name HN ) 0.0 1.8 3.5 !
assign (resid 31 and name HN )(resid 32 and name HN ) 0.0 1.8 5.0 !      
assign (resid 31 and name HN )(resid 30 and name HA ) 0.0 1.8 5.0 !
assign (resid 31 and name HN )(resid 32 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 31 and name HN )(resid 30 and name HB1* ) 0.0 1.8 5.0 !
assign (resid 31 and name HN )(resid 30 and name HB2* ) 0.0 1.8 5.0 !      
assign (resid 31 and name HN )((resid 32 and name HD1* ) or (resid 32 and name HD2*)) 0.0 1.8 5.0 !
!ASN 31 ND2
!LEU 32
assign (resid 32 and name HN )(resid 33 and name HN ) 0.0 1.8 5.0 !
assign (resid 32 and name HN )(resid 31 and name HA ) 0.0 1.8 5.0 !
!ARG 33
assign (resid 33 and name HN )(resid 34 and name HN ) 0.0 1.8 3.5 !      
assign (resid 33 and name HN )(resid 32 and name HA ) 0.0 1.8 5.0 !
assign (resid 33 and name HN )(resid 34 and name HB* ) 0.0 1.8 5.0 !
assign (resid 33 and name HN )((resid 32 and name HD1*) or (resid 32 and name HD2*)) 0.0 1.8 5.0 !
assign ((resid 32 and name HB1 ) or (resid 32 and name HB2))(resid 33 and name HN ) 0.0 1.8 5.0 !
!ALA 34
assign (resid 34 and name HN )(resid 35 and name HN ) 0.0 1.8 5.0 !
assign (resid 34 and name HN )(resid 33 and name HA ) 0.0 1.8 5.0 !
assign (resid 34 and name HN )((resid 33 and name HD1 ) or (resid 33 and name HD2)) 0.0 1.8 5.0 !
assign (resid 33 and name HB1 )(resid 34 and name HN ) 0.0 1.8 5.0 !
assign (resid 33 and name HB2 )(resid 34 and name HN ) 0.0 1.8 5.0 !
assign ((resid 33 and name HG1 ) or (resid 33 and name HG2))(resid 34 and name HN ) 0.0 1.8 5.0 !
!ALA 35
assign (resid 35 and name HN )(resid 36 and name HN ) 0.0 1.8 5.0 !
assign (resid 35 and name HN )(resid 34 and name HA ) 0.0 1.8 3.5 !
assign (resid 34 and name HB* )(resid 35 and name HN ) 0.0 1.8 3.5 !
!LEU 36
assign (resid 35 and name HA )(resid 36 and name HN ) 0.0 1.8 3.5 !
assign (resid 36 and name HN )(resid 35 and name HB* ) 0.0 1.8 3.5 !
!THR 37
assign (resid 37 and name HN )(resid 36 and name HN ) 0.0 1.8 5.0 !
assign (resid 37 and name HN )(resid 38 and name HN ) 0.0 1.8 5.0 !
assign (resid 37 and name HN )(resid 36 and name HA ) 0.0 1.8 3.5 !
assign (resid 36 and name HB1 )(resid 37 and name HN ) 0.0 1.8 5.0 !
assign (resid 36 and name HB2 )(resid 37 and name HN ) 0.0 1.8 5.0 !
assign (resid 37 and name HN )(resid 36 and name HG ) 0.0 1.8 5.0 !      
assign (resid 36 and name HD1* )(resid 37 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 36 and name HD2* )(resid 37 and name HN ) 0.0 1.8 5.0 !
!SER 38
assign (resid 37 and name HG2* )(resid 38 and name HN ) 0.0 1.8 5.0 !
!PHE 39
!GLN 40
assign (resid 40 and name HN )(resid 41 and name HN ) 0.0 1.8 5.0 !
assign (resid 40 and name HN )(resid 39 and name HA ) 0.0 1.8 5.0 !
assign (resid 40 and name HN )(resid 39 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 40 and name HN )(resid 39 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 40 and name HN )((resid 41 and name HG2* ) or (resid 41 and name HG1*)) 0.0 1.8 5.0 !
!GLN 40 HE2 maybe L36HDs?
!VAL 41
assign (resid 41 and name HN )(resid 42 and name HN ) 0.0 1.8 3.5 !      
assign (resid 41 and name HN )(resid 40 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 40 and name HB1 )(resid 41 and name HN ) 0.0 1.8 5.0 !
assign (resid 40 and name HB2 )(resid 41 and name HN ) 0.0 1.8 5.0 !
assign (resid 41 and name HN )((resid 40 and name HG1 ) or (resid 40 and name HG1)) 0.0 1.8 5.0 ! 
assign (resid 41 and name HN )(resid 42 and name HB* ) 0.0 1.8 5.0 !
!ALA 42
assign (resid 42 and name HN )(resid 41 and name HA ) 0.0 1.8 5.0 !
assign (resid 42 and name HN )(resid 41 and name HB ) 0.0 1.8 5.0 !
assign (resid 42 and name HN )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!GLN 43
assign (resid 43 and name HN )(resid 44 and name HN ) 0.0 1.8 3.5 !
assign (resid 43 and name HN )(resid 42 and name HB* ) 0.0 1.8 3.5 !
!TYR 44
assign (resid 44 and name HN )(resid 45 and name HN ) 0.0 1.8 3.5 !
assign (resid 44 and name HN )(resid 43 and name HA ) 0.0 1.8 5.0 !
assign (resid 44 and name HN )(resid 43 and name HB* ) 0.0 1.8 5.0 !
assign ((resid 43 and name HG1) or (resid 43 and name HG2))(resid 44 and name HN ) 0.0 1.8 5.0 !
!ARG 45
assign (resid 45 and name HN )(resid 46 and name HN ) 0.0 1.8 3.5 !
assign (resid 45 and name HN )(resid 44 and name HD* ) 0.0 1.8 5.0 !   
assign (resid 45 and name HN )(resid 44 and name HA ) 0.0 1.8 5.0 !
assign (resid 45 and name HN )(resid 44 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 45 and name HN )(resid 44 and name HB2 ) 0.0 1.8 5.0 !
!ASN 46
assign (resid 46 and name HN )(resid 47 and name HN ) 0.0 1.8 3.5 ! 
assign (resid 46 and name HN )(resid 45 and name HA ) 0.0 1.8 5.0 !
assign (resid 46 and name HN )(resid 45 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 46 and name HN )(resid 45 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 46 and name HN )(resid 47 and name HD1* ) 0.0 1.8 5.0 !
!ILE 47
assign (resid 47 and name HN )(resid 48 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 47 and name HN )(resid 46 and name HA ) 0.0 1.8 5.0 !
assign (resid 47 and name HN )(resid 46 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 47 and name HN )(resid 46 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 47 and name HN )(resid 48 and name HG ) 0.0 1.8 5.0 !
!LEU 48
assign (resid 48 and name HN )(resid 49 and name HN ) 0.0 1.8 5.0 !
assign (resid 47 and name HA )(resid 48 and name HN ) 0.0 1.8 5.0 !
assign (resid 48 and name HN )((resid 49 and name HB1 ) or (resid 49 and name HB2)) 0.0 1.8 5.0 !
assign (resid 48 and name HN )(resid 47 and name HB ) 0.0 1.8 5.0 ! 
assign (resid 48 and name HN )((resid 47 and name HG11 ) or (resid 47 and name HG12)) 0.0 1.8 5.0 !
assign (resid 48 and name HN )(resid 47 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 48 and name HN )(resid 47 and name HD1* ) 0.0 1.8 5.0 !
!ASN 49
assign (resid 49 and name HN )(resid 48 and name HN ) 0.0 1.8 3.5 !
assign (resid 49 and name HN )(resid 50 and name HN ) 0.0 1.8 3.5 !
assign (resid 49 and name HN )(resid 48 and name HA ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 48 and name HG ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 48 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 48 and name HB2 ) 0.0 1.8 5.0 ! 
assign (resid 49 and name HN )(resid 50 and name HB* ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 48 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 49 and name HN )(resid 48 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 49 and name HD* )((resid 50 and name HN ) or (resid 46 and name HN)) 0.0 1.8 5.0 !
assign ((resid 49 and name HD11 ) or (resid 49 and name HD21))(resid 50 and name HB* ) 0.0 1.8 5.0 !
!ALA 50
assign (resid 50 and name HN )(resid 51 and name HN ) 0.0 1.8 3.5 !
assign (resid 50 and name HN )(resid 49 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 50 and name HN )(resid 49 and name HB2 ) 0.0 1.8 5.0 ! 
!SER 51
assign (resid 51 and name HN )(resid 52 and name HN ) 0.0 1.8 3.5 !
assign (resid 51 and name HN )(resid 53 and name HN ) 0.0 1.8 5.0 !
assign (resid 51 and name HN )(resid 50 and name HB* ) 0.0 1.8 3.5 !
assign (resid 51 and name HN )((resid 52 and name HB1 ) or (resid 52 and name HB2)) 0.0 1.8 5.0 !
assign (resid 51 and name HN )(resid 52 and name HD1* ) 0.0 1.8 5.0 !      
assign (resid 51 and name HN )(resid 52 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 50 and name HA )(resid 51 and name HN ) 0.0 1.8 5.0 ! 
!LEU 52
assign (resid 52 and name HN )(resid 53 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HN )(resid 51 and name HA ) 0.0 1.8 5.0 !
assign (resid 51 and name HB1 )(resid 52 and name HN ) 0.0 1.8 5.0 !      
assign (resid 51 and name HB2 )(resid 52 and name HN ) 0.0 1.8 5.0 !
assign (resid 52 and name HN )((resid 53 and name HG* ) or (resid 53 and name HB)) 0.0 1.8 5.0 !
!GLN 53
assign (resid 53 and name HN )(resid 54 and name HN ) 0.0 1.8 3.5 !
assign (resid 53 and name HN )(resid 52 and name HA ) 0.0 1.8 5.0 !
assign (resid 53 and name HN )(resid 52 and name HG ) 0.0 1.8 5.0 ! 
assign (resid 53 and name HN )(resid 52 and name HB1 ) 0.0 1.8 5.0 ! 
assign (resid 53 and name HN )(resid 52 and name HB2 ) 0.0 1.8 5.0 !      
assign (resid 53 and name HN )(resid 54 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 53 and name HN )(resid 54 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 53 and name HN )(resid 52 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 53 and name HN )(resid 52 and name HD2* ) 0.0 1.8 5.0 ! 
assign (resid 53 and name HE21 )(resid 52 and name HG ) 0.0 1.8 5.0 !
assign (resid 53 and name HE22 )(resid 52 and name HG ) 0.0 1.8 5.0 ! 
!VAL 54
assign (resid 54 and name HN )(resid 55 and name HN ) 0.0 1.8 3.5 !
assign (resid 54 and name HN )(resid 53 and name HA ) 0.0 1.8 5.0 !
assign (resid 54 and name HN )((resid 53 and name HB1 ) or (resid 53 and name HB2)) 0.0 1.8 5.0 !
assign (resid 53 and name HG* )(resid 54 and name HN ) 0.0 1.8 5.0 !
!ASP 55
assign (resid 55 and name HN )(resid 56 and name HN ) 0.0 1.8 5.0 !
assign (resid 55 and name HN )(resid 54 and name HA ) 0.0 1.8 5.0 !
assign (resid 55 and name HN )(resid 54 and name HB ) 0.0 1.8 5.0 !
assign (resid 54 and name HG1* )(resid 55 and name HN ) 0.0 1.8 5.0 !
assign (resid 54 and name HG2* )(resid 55 and name HN ) 0.0 1.8 5.0 !
!ARG 56 
assign (resid 56 and name HN )(resid 57 and name HN ) 0.0 1.8 5.0 !
assign (resid 56 and name HN )(resid 55 and name HA ) 0.0 1.8 3.5 ! 
!ASP 57
assign (resid 57 and name HN )(resid 58 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 57 and name HN )(resid 56 and name HA ) 0.0 1.8 5.0 !
assign (resid 57 and name HN )(resid 56 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 57 and name HN )(resid 56 and name HB2 ) 0.0 1.8 5.0 ! 
!ALA 58
assign (resid 58 and name HN )(resid 57 and name HA ) 0.0 1.8 3.5 !
!ALA 59 
!ARG 60
assign (resid 60 and name HN )(resid 61 and name HN ) 0.0 1.8 5.0 !
assign (resid 60 and name HN )((resid 58 and name HA ) or (resid 59 and name HA)) 0.0 1.8 5.0 !
assign (resid 60 and name HN )(resid 59 and name HB*) 0.0 1.8 5.0 !
assign (resid 61 and name HB* )(resid 60 and name HN ) 0.0 1.8 5.0 !
!SER 61
assign (resid 61 and name HN )(resid 62 and name HN ) 0.0 1.8 5.0 !
assign (resid 61 and name HN )(resid 60 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 61 and name HN )(resid 60 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 60 and name HA )(resid 61 and name HN ) 0.0 1.8 5.0 !
!ARG 62
assign (resid 62 and name HN )(resid 63 and name HN ) 0.0 1.8 3.5 !
assign (resid 62 and name HN )(resid 61 and name HA ) 0.0 1.8 5.0 !
assign (resid 61 and name HB* )(resid 62 and name HN ) 0.0 1.8 5.0 !
!ARG 63
assign (resid 63 and name HN )(resid 64 and name HN ) 0.0 1.8 5.0 !
assign (resid 62 and name HA )(resid 63 and name HN ) 0.0 1.8 5.0 !
assign (resid 63 and name HN )((resid 62 and name HB2 ) or (resid 62 and name HB1)) 0.0 1.8 5.0 !
!LEU 64
assign (resid 64 and name HN )(resid 65 and name HN ) 0.0 1.8 5.0 !
assign (resid 64 and name HN )(resid 63 and name HA ) 0.0 1.8 5.0 !
!MET 65
assign (resid 65 and name HN )(resid 64 and name HG ) 0.0 1.8 5.0 !
assign (resid 65 and name HN )(resid 66 and name HB* ) 0.0 1.8 5.0 !
assign (resid 64 and name HB1 )(resid 65 and name HN ) 0.0 1.8 5.0 !
assign (resid 64 and name HB2 )(resid 65 and name HN ) 0.0 1.8 5.0 !
assign (resid 65 and name HN )((resid 64 and name HD2* ) or (resid 64 and name HD1*)) 0.0 1.8 5.0 !
!ALA 66
assign (resid 66 and name HN )(resid 65 and name HN ) 0.0 1.8 3.5 !
assign (resid 66 and name HN )(resid 67 and name HN ) 0.0 1.8 3.5 !
assign (resid 66 and name HN )(resid 65 and name HA ) 0.0 1.8 5.0 !
assign (resid 66 and name HN )((resid 65 and name HG1 ) or (resid 65 and name HG2 )) 0.0 1.8 5.0 !
assign (resid 66 and name HN )(resid 65 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 66 and name HN )(resid 65 and name HB2 ) 0.0 1.8 5.0 !    
assign (resid 67 and name HA )(resid 66 and name HN ) 0.0 1.8 5.0 !
!LYS 67
assign (resid 67 and name HN )(resid 68 and name HN ) 0.0 1.8 3.5 !
assign (resid 67 and name HN )(resid 66 and name HA ) 0.0 1.8 5.0 !
assign (resid 67 and name HN )(resid 66 and name HB* ) 0.0 1.8 5.0 ! 
!LEU 68
assign (resid 68 and name HN )(resid 67 and name HA ) 0.0 1.8 5.0 !
assign (resid 68 and name HN )(resid 69 and name HA ) 0.0 1.8 5.0 !
assign (resid 68 and name HN )(resid 67 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 68 and name HN )(resid 67 and name HB2 ) 0.0 1.8 5.0 !      
assign (resid 68 and name HN )((resid 67 and name HG1 ) or (resid 67 and name HG2)) 0.0 1.8 5.0 !
assign (resid 68 and name HN )(resid 69 and name HB* ) 0.0 1.8 5.0 ! 
!ALA 69
assign (resid 69 and name HN )(resid 68 and name HN ) 0.0 1.8 3.5 !
assign (resid 69 and name HN )(resid 70 and name HN ) 0.0 1.8 3.5 !
assign (resid 68 and name HA )(resid 69 and name HN ) 0.0 1.8 5.0 !
assign (resid 69 and name HN )((resid 70 and name HB1 ) or (resid 70 and name HB2)) 0.0 1.8 5.0 !
assign (resid 69 and name HN )(resid 68 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 69 and name HN )(resid 68 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 69 and name HN )((resid 68 and name HD1* ) or (resid 68 and name HD2*)) 0.0 1.8 5.0 !  
!ASP 70
assign (resid 70 and name HN )(resid 69 and name HA ) 0.0 1.8 5.0 !
assign (resid 70 and name HN )((resid 71 and name HB1 ) or (resid 71 and name HB2)) 0.0 1.8 5.0 !
!PHE 71
assign (resid 71 and name HN )(resid 72 and name HN ) 0.0 1.8 5.0 !     
assign (resid 71 and name HN )(resid 70 and name HN ) 0.0 1.8 3.5 ! 
assign (resid 71 and name HN )(resid 70 and name HA ) 0.0 1.8 5.0 !
assign (resid 71 and name HN )((resid 70 and name HB2 ) or (resid 70 and name HB1)) 0.0 1.8 5.0 !
!ALA 72
assign (resid 72 and name HN )(resid 73 and name HN ) 0.0 1.8 5.0 !
assign (resid 72 and name HN )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 72 and name HN )(resid 71 and name HA ) 0.0 1.8 3.5 !      
assign (resid 72 and name HN )((resid 71 and name HB1 ) or (resid 71 and name HB2)) 0.0 1.8 5.0 !
!VAL 73
assign (resid 73 and name HN )(resid 72 and name HA ) 0.0 1.8 5.0 !
assign (resid 73 and name HN )(resid 72 and name HB* ) 0.0 1.8 5.0 !
!GLU 74 
assign (resid 74 and name HN )(resid 73 and name HN ) 0.0 1.8 5.0 !
assign (resid 74 and name HN )(resid 73 and name HA ) 0.0 1.8 3.5 !      
assign (resid 74 and name HN )((resid 73 and name HG2* ) or (resid 73 and name HG1*)) 0.0 1.8 5.0 !
assign (resid 73 and name HB )(resid 74 and name HN ) 0.0 1.8 5.0 !
assign (resid 73 and name HG* )(resid 74 and name HN ) 0.0 1.8 5.0 !
!GLN 75
assign (resid 75 and name HN )(resid 74 and name HN ) 0.0 1.8 5.0 !
assign (resid 75 and name HN )(resid 76 and name HN ) 0.0 1.8 5.0 !
assign (resid 75 and name HN )(resid 74 and name HA ) 0.0 1.8 3.5 ! 
assign ((resid 74 and name HB1 ) or (resid 74 and name HB2))(resid 75 and name HN ) 0.0 1.8 5.0 !
!GLN 76
assign (resid 76 and name HN )(resid 77 and name HN ) 0.0 1.8 5.0 !
assign (resid 76 and name HN )(resid 75 and name HA ) 0.0 1.8 3.5 !
assign (resid 76 and name HN )(resid 75 and name HB1 ) 0.0 1.8 5.0 ! 
assign (resid 76 and name HN )(resid 75 and name HB2 ) 0.0 1.8 5.0 ! 
assign (resid 76 and name HN )((resid 75 and name HG1 ) or (resid 76 and name HG2)) 0.0 1.8 5.0 ! 
!VAL 77
assign (resid 77 and name HN )(resid 78 and name HN ) 0.0 1.8 5.0 !
assign (resid 77 and name HN )(resid 76 and name HA ) 0.0 1.8 3.5 !
assign (resid 77 and name HN )((resid 76 and name HG1 ) or (resid 76 and name HG2)) 0.0 1.8 5.0 !
assign (resid 76 and name HB*)(resid 77 and name HN ) 0.0 1.8 5.0 !
!THR 78
assign (resid 77 and name HA )(resid 78 and name HN ) 0.0 1.8 3.5 !
assign (resid 78 and name HN )(resid 77 and name HB ) 0.0 1.8 5.0 !
assign (resid 78 and name HN )(resid 77 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 78 and name HN )(resid 77 and name HG2* ) 0.0 1.8 5.0 !
!ALA 79
assign (resid 79 and name HN )(resid 78 and name HN ) 0.0 1.8 5.0 !      
assign (resid 79 and name HN )(resid 80 and name HN ) 0.0 1.8 5.0 !
assign (resid 79 and name HN )(resid 78 and name HA) 0.0 1.8 3.5 ! 
assign (resid 79 and name HN )(resid 78 and name HB ) 0.0 1.8 3.5 !
assign (resid 79 and name HN )(resid 78 and name HG2* ) 0.0 1.8 3.5 !
!GLY 80
assign (resid 80 and name HN )(resid 81 and name HN ) 0.0 1.8 3.5 !
assign (resid 80 and name HN )(resid 79 and name HB* ) 0.0 1.8 3.5 !
assign (resid 79 and name HA )(resid 80 and name HN ) 0.0 1.8 3.5 !
!ASP 81
assign (resid 81 and name HN )(resid 82 and name HN ) 0.0 1.8 5.0 !
assign (resid 80 and name HA1 )(resid 81 and name HN ) 0.0 1.8 5.0 !
assign (resid 80 and name HA2 )(resid 81 and name HN ) 0.0 1.8 5.0 !
!ARG 82
assign (resid 82 and name HN )(resid 83 and name HN ) 0.0 1.8 5.0 !      
assign (resid 82 and name HN )(resid 81 and name HA ) 0.0 1.8 3.5 ! 
assign (resid 81 and name HB1 )(resid 82 and name HN ) 0.0 1.8 5.0 !
assign (resid 81 and name HB2 )(resid 82 and name HN ) 0.0 1.8 5.0 !
!VAL 83
assign (resid 83 and name HN )(resid 82 and name HA ) 0.0 1.8 3.5 !
assign (resid 83 and name HN )(resid 82 and name HB* ) 0.0 1.8 5.0 ! 
!VAL 84
assign (resid 84 and name HN )(resid 85 and name HN ) 0.0 1.8 5.0 !
assign (resid 84 and name HN )(resid 83 and name HA ) 0.0 1.8 3.5 !
assign (resid 84 and name HN )(resid 83 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 84 and name HN )(resid 83 and name HG2* ) 0.0 1.8 5.0 !
!VAL 85
assign (resid 85 and name HN )(resid 84 and name HA ) 0.0 1.8 3.5 !
assign (resid 85 and name HN )(resid 84 and name HB ) 0.0 1.8 5.0 !
assign (resid 85 and name HN )(resid 84 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 85 and name HN )(resid 84 and name HG2* ) 0.0 1.8 5.0 !
!ILE 86
assign (resid 85 and name HA )(resid 86 and name HN) 0.0 1.8 5.0 !
!ASP 87
assign (resid 87 and name HN )(resid 88 and name HN ) 0.0 1.8 3.5 !
assign (resid 87 and name HN )(resid 86 and name HN ) 0.0 1.8 5.0 !0
assign (resid 87 and name HN )(resid 86 and name HA ) 0.0 1.8 5.0 !
assign (resid 87 and name HN )((resid 88 and name HA1 ) or (resid 88 and name HA2)) 0.0 1.8 5.0 !
assign (resid 87 and name HN )(resid 86 and name HB ) 0.0 1.8 5.0 !0      
assign (resid 87 and name HN )(resid 86 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 87 and name HN )(resid 86 and name HD1* ) 0.0 1.8 5.0 !
!GLY 88
assign (resid 88 and name HN )(resid 89 and name HN ) 0.0 1.8 5.0 !
assign (resid 88 and name HN )(resid 87 and name HA ) 0.0 1.8 5.0 !
assign (resid 88 and name HN )(resid 86 and name HA ) 0.0 1.8 5.0 !      
!LEU 89
assign (resid 89 and name HN )(resid 88 and name HA1 ) 0.0 1.8 3.5 !
assign (resid 89 and name HN )(resid 88 and name HA2 ) 0.0 1.8 3.5 !
!ASP 90
assign (resid 90 and name HN )(resid 91 and name HN ) 0.0 1.8 5.0 !
assign (resid 90 and name HN )((resid 89 and name HA ) or (resid 91 and name HA)) 0.0 1.8 5.0 ! 
assign (resid 90 and name HN )(resid 89 and name HG ) 0.0 1.8 5.0 !
assign (resid 90 and name HN )(resid 89 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 90 and name HN )(resid 89 and name HD2* ) 0.0 1.8 5.0 ! 
!ARG 91
assign (resid 91 and name HN )(resid 92 and name HN ) 0.0 1.8 5.0 !
!MET 92
assign (resid 92 and name HN )(resid 91 and name HA ) 0.0 1.8 3.5 ! 
assign (resid 91 and name HB1 )(resid 92 and name HN) 0.0 1.8 5.0 !
assign (resid 91 and name HB2 )(resid 92 and name HN) 0.0 1.8 5.0 !
assign (resid 92 and name HN )(resid 91 and name HG1 ) 0.0 1.8 5.0 !
assign (resid 92 and name HN )(resid 91 and name HG2 ) 0.0 1.8 5.0 !
assign (resid 91 and name HD* )(resid 92 and name HN) 0.0 1.8 5.0 !
!ALA 93
assign (resid 93 and name HN )(resid 92 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 93 and name HN )(resid 92 and name HG1 ) 0.0 1.8 5.0 !      
assign (resid 93 and name HN )(resid 92 and name HG2 ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 92 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 93 and name HN )(resid 92 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 92 and name HE* )(resid 93 and name HN) 0.0 1.8 5.0 !
!HIS 94
assign (resid 94 and name HN )(resid 93 and name HA ) 0.0 1.8 5.0 !
assign (resid 94 and name HN )(resid 93 and name HB* ) 0.0 1.8 5.0 !      
!PHE 95 
assign (resid 95 and name HN )(resid 96 and name HN ) 0.0 1.8 3.5 !
assign (resid 95 and name HN )(resid 94 and name HD2 ) 0.0 1.8 5.0 !
assign (resid 95 and name HN )(resid 94 and name HA ) 0.0 1.8 3.5 !
assign (resid 95 and name HN )(resid 94 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 95 and name HN )(resid 94 and name HB2 ) 0.0 1.8 5.0 !
!LYS 96
assign (resid 96 and name HN )(resid 95 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 96 and name HN )(resid 95 and name HB2 ) 0.0 1.8 5.0 !
!ASP 97
!ASP 98
assign (resid 98 and name HN )(resid 99 and name HN ) 0.0 1.8 3.5 !      
assign (resid 98 and name HN )(resid 97 and name HA ) 0.0 1.8 5.0 !
assign (resid 98 and name HN )(resid 97 and name HB* ) 0.0 1.8 3.5 !
assign (resid 98 and name HN )(resid 99 and name HG ) 0.0 1.8 5.0 !
assign (resid 98 and name HN )(resid 99 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 98 and name HN )(resid 99 and name HD2* ) 0.0 1.8 5.0 !
!LEU 99
assign (resid 99 and name HN )(resid 100 and name HN ) 0.0 1.8 5.0 !
assign (resid 99 and name HN )(resid 98 and name HA ) 0.0 1.8 5.0 !
assign (resid 99 and name HN )(resid 98 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 99 and name HN )(resid 98 and name HB2 ) 0.0 1.8 5.0 ! 
!VAL 100
assign (resid 100 and name HN )(resid 101 and name HN ) 0.0 1.8 5.0 !
assign (resid 100 and name HN )(resid 99 and name HA ) 0.0 1.8 3.5 ! 
assign (resid 100 and name HN )(resid 99 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 100 and name HN )(resid 99 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 100 and name HN )(resid 99 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 100 and name HN )(resid 99 and name HD2* ) 0.0 1.8 5.0 !
!LEU 101
assign (resid 101 and name HN )(resid 100 and name HA ) 0.0 1.8 3.5 !
assign (resid 100 and name HG1* )(resid 101 and name HN) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 101 and name HN) 0.0 1.8 5.0 !
assign (resid 100 and name HB )(resid 101 and name HN) 0.0 1.8 5.0 !
!VAL 102
assign (resid 102 and name HN )(resid 101 and name HA) 0.0 1.8 3.5 ! 
assign (resid 102 and name HN )(resid 101 and name HB1) 0.0 1.8 5.0 !
assign (resid 102 and name HN )(resid 101 and name HB2 ) 0.0 1.8 5.0 ! 
assign (resid 102 and name HN )((resid 101 and name HD2* ) or (resid 101 and name HD1*)) 0.0 1.8 5.0 !
!PRO 103
!LEU 104
assign (resid 104 and name HN )(resid 105 and name HN ) 0.0 1.8 3.5 !
assign (resid 104 and name HN )(resid 103 and name HA ) 0.0 1.8 3.5 !
assign (resid 104 and name HN )(resid 103 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 104 and name HN )(resid 103 and name HB2 ) 0.0 1.8 5.0 ! 
!THR 105
assign (resid 105 and name HN )(resid 106 and name HN ) 0.0 1.8 5.0 !
assign (resid 105 and name HN )(resid 104 and name HB* ) 0.0 1.8 5.0 ! 
assign (resid 105 and name HN )(resid 104 and name HG ) 0.0 1.8 5.0 !
assign (resid 105 and name HN )((resid 104 and name HD1* ) or (resid 104 and name HD2*)) 0.0 1.8 5.0 !
!THR 106
assign (resid 106 and name HN )(resid 105 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 106 and name HN )(resid 105 and name HB ) 0.0 1.8 5.0 !      
assign (resid 106 and name HN )(resid 105 and name HG2* ) 0.0 1.8 5.0 !
!LYS 107
assign (resid 107 and name HN )(resid 108 and name HN ) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 106 and name HN ) 0.0 1.8 5.0 ! 
assign (resid 107 and name HN )(resid 106 and name HA ) 0.0 1.8 3.5 !
assign (resid 107 and name HN )(resid 106 and name HB ) 0.0 1.8 5.0 !
assign (resid 107 and name HN )(resid 106 and name HG2* ) 0.0 1.8 5.0 !      
!VAL 108
assign (resid 108 and name HN )(resid 109 and name HN ) 0.0 1.8 5.0 !
assign (resid 108 and name HN )(resid 107 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 108 and name HN )(resid 107 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 107 and name HA )(resid 108 and name HN) 0.0 1.8 3.5 !
assign ((resid 107 and name HG1 ) or (resid 107 and name HG2))(resid 108 and name HN) 0.0 1.8 5.0 !
assign ((resid 109 and name HG1*) or (resid 109 and name HG2*))(resid 108 and name HN) 0.0 1.8 5.0 !
!VAL 109
assign (resid 109 and name HN )(resid 108 and name HA ) 0.0 1.8 3.5 !      
assign (resid 109 and name HN )(resid 108 and name HB ) 0.0 1.8 5.0 !
assign (resid 109 and name HN )(resid 108 and name HG1*) 0.0 1.8 5.0 !
assign (resid 109 and name HN )(resid 108 and name HG2*) 0.0 1.8 5.0 !
!GLY 110
assign (resid 110 and name HN )(resid 109 and name HA ) 0.0 1.8 5.0 !
assign (resid 110 and name HN )(resid 109 and name HB ) 0.0 1.8 5.0 !
assign (resid 110 and name HN )(resid 109 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 110 and name HN )(resid 109 and name HG2* ) 0.0 1.8 5.0 !
!GLY 111
assign (resid 111 and name HN )(resid 112 and name HN ) 0.0 1.8 5.0 !
assign (resid 111 and name HN )(resid 110 and name HA*) 0.0 1.8 5.0 !    
!SER 112
assign (resid 112 and name HN )(resid 111 and name HA1 ) 0.0 1.8 5.0 !
assign (resid 112 and name HN )(resid 111 and name HA2 ) 0.0 1.8 5.0 !
!ARG 113
assign (resid 113 and name HN )(resid 112 and name HA ) 0.0 1.8 5.0 !
!CYS 114
assign (resid 114 and name HN )(resid 113 and name HA ) 0.0 1.8 3.5 !
assign ((resid 113 and name HB1 ) or (resid 113 and name HB2))(resid 114 and name HN) 0.0 1.8 5.0 !
!THR 115
assign (resid 115 and name HN )(resid 114 and name HA ) 0.0 1.8 3.5 !
assign ((resid 114 and name HB1 ) or (resid 114 and name HB2))(resid 115 and name HN) 0.0 1.8 5.0 !
!ILE 116
assign (resid 116 and name HN )(resid 115 and name HN ) 0.0 1.8 5.0 !
assign (resid 116 and name HN )(resid 115 and name HA ) 0.0 1.8 3.5 !
assign (resid 116 and name HN )(resid 115 and name HG2* ) 0.0 1.8 5.0 !
!CYS 117
assign (resid 117 and name HN )(resid 118 and name HN ) 0.0 1.8 5.0 !
assign (resid 117 and name HN )(resid 116 and name HA ) 0.0 1.8 3.5 !
assign (resid 117 and name HN )(resid 116 and name HB ) 0.0 1.8 5.0 !
assign (resid 117 and name HN )(resid 116 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 117 and name HN )(resid 116 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 116 and name HG11 )(resid 117 and name HN) 0.0 1.8 5.0 !
assign (resid 116 and name HG12 )(resid 117 and name HN) 0.0 1.8 5.0 !
!ASP 118
assign (resid 118 and name HN )(resid 119 and name HN ) 0.0 1.8 5.0 !
assign (resid 118 and name HN )(resid 117 and name HA ) 0.0 1.8 3.5 !      
assign (resid 117 and name HB1 )(resid 118 and name HN) 0.0 1.8 5.0 !
assign (resid 117 and name HB2 )(resid 118 and name HN) 0.0 1.8 5.0 !
!VAL 119
assign (resid 119 and name HN )(resid 120 and name HN ) 0.0 1.8 5.0 !
assign (resid 119 and name HN )(resid 118 and name HA ) 0.0 1.8 3.5 !      
assign (resid 119 and name HN )(resid 118 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 119 and name HN )(resid 118 and name HB2 ) 0.0 1.8 5.0 !
!VAL 120
assign (resid 120 and name HN )(resid 121 and name HN ) 0.0 1.8 5.0 !
assign (resid 119 and name HA )(resid 120 and name HN) 0.0 1.8 3.5 ! 
assign (resid 119 and name HG2* )(resid 120 and name HN) 0.0 1.8 5.0 !
assign (resid 119 and name HG1* )(resid 120 and name HN) 0.0 1.8 5.0 !
assign (resid 119 and name HB )(resid 120 and name HN) 0.0 1.8 5.0 !
!LYS 121
assign (resid 121 and name HN )(resid 122 and name HN ) 0.0 1.8 5.0 !
assign (resid 121 and name HN )(resid 120 and name HA ) 0.0 1.8 3.5 !
assign (resid 121 and name HN )(resid 120 and name HB ) 0.0 1.8 5.0 !
assign (resid 121 and name HN )(resid 120 and name HG1* ) 0.0 1.8 5.0 !
assign (resid 121 and name HN )(resid 120 and name HG2* ) 0.0 1.8 5.0 ! 
!GLU 122
assign (resid 122 and name HN )(resid 123 and name HN ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 121 and name HA ) 0.0 1.8 3.5 !
assign (resid 122 and name HN )((resid 123 and name HB* ) or (resid 122 and name HB*)) 0.0 1.8 5.0 ! 
assign (resid 122 and name HN )(resid 121 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 121 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 121 and name HG1 ) 0.0 1.8 5.0 !
assign (resid 122 and name HN )(resid 121 and name HG2 ) 0.0 1.8 5.0 ! 
assign (resid 121 and name HE* )(resid 122 and name HN) 0.0 1.8 5.0 !
!GLU 123
assign (resid 123 and name HN )(resid 122 and name HA ) 0.0 1.8 5.0 !
assign (resid 122 and name HB1 )(resid 123 and name HN) 0.0 1.8 5.0 !
assign (resid 122 and name HB2 )(resid 123 and name HN) 0.0 1.8 5.0 !
assign (resid 123 and name HN )((resid 122 and name HB* ) or (resid 123 and name HB*)) 0.0 1.8 5.0 !  
assign (resid 123 and name HN )((resid 122 and name HG* ) or (resid 123 and name HB*)) 0.0 1.8 5.0 ! 
!
!
!
!
!levels from 13C-NOESY on doubly labelled sample 
!c13hsqc1 from 100408
!lowest .7e+06, factor 1.4, levels 10
!e+05 for C13_noesy d2o
!
!
!
!.0A = 1-6 levels 
!.5A = 7-9 levels
!.8A = >10 levels
!
!
!
!GLY 1
assign (resid 1 and name HA*)(resid 2 and name HA ) 0.0 1.8 5.0 !
!LEU2
assign (resid 3 and name HG2*)(resid 2 and name HA ) 0.0 1.8 5.0 !
assign (resid 3 and name HA)((resid 2 and name HD1* ) or (resid 2 and name HD2*)) 0.0 1.8 5.0 !
assign (resid 3 and name HG2*)((resid 2 and name HB* ) or (resid 6 and name HB*)) 0.0 1.8 5.0 !
!THR 3
assign (resid 3 and name HB)(resid 4 and name HB* ) 0.0 1.8 5.0 !
assign (resid 3 and name HG2*)(resid 4 and name HB* ) 0.0 1.8 5.0 !
!ALA 4
assign (resid 4 and name HA)((resid 5 and name HG2* ) or (resid 3 and name HG2*)) 0.0 1.8 5.0 !
!THR 5
!LEU 6
!ALA 7 
!ALA 8
assign (resid 8 and name HA)(resid 9 and name HA ) 0.0 1.8 5.0 !
assign (resid 8 and name HA)(resid 9 and name HG ) 0.0 1.8 5.0 ! 
assign (resid 8 and name HA)(resid 9 and name HD1*) 0.0 1.8 5.0 !
assign (resid 8 and name HA)(resid 9 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 8 and name HA)(resid 9 and name HG ) 0.0 1.8 5.0 !
assign (resid 8 and name HB*)(resid 9 and name HA ) 0.0 1.8 5.0 !
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 8 and name HB* ) 0.0 1.8 5.0 !
!LEU 9
assign (resid 9 and name HA)(resid 10 and name HG2* ) 0.0 1.8 5.0 ! 
assign ((resid 9 and name HD1*) or (resid 9 and name HD2*))(resid 10 and name HG2* ) 0.0 1.8 5.0 !
!THR 10 
!ASP 11
!ASP 12
!ASP 13
!PHE 14
!GLN 15
assign (resid 16 and name HA )((resid 15 and name HG1) or (resid 15 and name HG2)) 0.0 1.8 5.0 !
!PHE 16 
assign (resid 17 and name HG )(resid 16 and name HD* ) 0.0 1.8 5.0 !
!LEU 17
!SER 18 
!ASP 19
assign (resid 19 and name HA )((resid 20 and name HG1* ) or (resid 20 and name HG2*)) 0.0 1.8 5.0 ! 
assign (resid 19 and name HB1 )((resid 20 and name HG21 ) or (resid 20 and name HG11)) 0.0 1.8 5.0 !
assign (resid 19 and name HB2 )((resid 20 and name HG21 ) or (resid 20 and name HG11)) 0.0 1.8 5.0 !
!VAL 20 
assign (resid 21 and name HA )(resid 20 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HB )(resid 21 and name HG ) 0.0 1.8 5.0 !
assign ((resid 20 and name HG1* ) or (resid 20 and name HG2*))(resid 21 and name HA ) 0.0 1.8 5.0 !
assign (resid 20 and name HG1* )(resid 21 and name HG ) 0.0 1.8 5.0 !
assign (resid 20 and name HG2* )(resid 21 and name HG ) 0.0 1.8 5.0 !
!LEU 21 to dig again
!ASP 22
!CYS 23
!ARG 24
assign (resid 24 and name HA )(resid 25 and name HB* ) 0.0 1.8 5.0 !
assign (resid 24 and name HB1 )(resid 25 and name HB* ) 0.0 1.8 5.0 ! 
assign (resid 24 and name HB2 )(resid 25 and name HB* ) 0.0 1.8 5.0 ! 
!ALA 25
assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 25 and name HA ) 0.0 1.8 5.0 !
assign (resid 26 and name HA )(resid 25 and name HB* ) 0.0 1.8 5.0 !
!VAL 26 
assign ((resid 26 and name HG1* ) or (resid 26 and name HG2*))(resid 25 and name HB* ) 0.0 1.8 5.0 !
!ARG 27 
assign (resid 28 and name HA )((resid 27 and name HD1 ) or (resid 27 and name HD2)) 0.0 1.8 5.0 !
!SER 28
assign (resid 29 and name HB* )(resid 28 and name HA ) 0.0 1.8 5.0 !
!ALA 29
assign (resid 29 and name HB* )(resid 30 and name HA ) 0.0 1.8 5.0 !
assign (resid 30 and name HG1 )(resid 29 and name HB* ) 0.0 1.8 5.0 !
assign (resid 30 and name HG2 )(resid 29 and name HB* ) 0.0 1.8 5.0 !
!MET 30
assign (resid 31 and name HA)(resid 30 and name HA ) 0.0 1.8 5.0 !
!ASN 31
!LEU 32 
!ARG 33 
!ALA 34
assign (resid 34 and name HA )(resid 35 and name HA ) 0.0 1.8 5.0 !
assign (resid 34 and name HA )(resid 35 and name HB* ) 0.0 1.8 5.0 !
!ALA 35
assign (resid 35 and name HA )((resid 36 and name HD1* ) or (resid 36 and name HD2*)) 0.0 1.8 5.0 !
!LEU 36
!THR 37
!SER 38
!PHE 39
!GLN 40
assign (resid 41 and name HA )(resid 40 and name HA) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 40 and name HA) 0.0 1.8 5.0 !
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 40 and name HB*) 0.0 1.8 5.0 !
!VAL 41
assign (resid 41 and name HA )(resid 42 and name HB*) 0.0 1.8 5.0 !
assign (resid 42 and name HA )(resid 41 and name HA) 0.0 1.8 5.0 !
assign (resid 41 and name HB )(resid 42 and name HB* ) 0.0 1.8 5.0 !      
assign ((resid 41 and name HG1* ) or (resid 41 and name HG2*))(resid 42 and name HA) 0.0 1.8 5.0 !
assign (resid 42 and name HB* )((resid 41 and name HG1* ) or (resid 41 and name HG2*)) 0.0 1.8 5.0 !
!ALA 42
assign (resid 42 and name HB* )(resid 43 and name HB* ) 0.0 1.8 5.0 !
!GLN 43
!TYR 44 
!ARG 45
!ASN 46
!ILE 47
assign (resid 47 and name HG2* )(resid 48 and name HG ) 0.0 1.8 5.0 !      
assign (resid 47 and name HG2* )((resid 48 and name HB1 ) or (resid 48 and name HB2)) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )(resid 48 and name HD1* ) 0.0 1.8 5.0 !
assign (resid 47 and name HG2* )(resid 48 and name HD2* ) 0.0 1.8 5.0 !
assign (resid 47 and name HD1* )((resid 48 and name HD1* ) or (resid 48 and name HD2*)) 0.0 1.8 5.0 ! 
!LEU 48
!ASN 49
assign (resid 50 and name HB* )((resid 49 and name HB1 ) or (resid 49 and name HB2)) 0.0 1.8 5.0 !
assign (resid 50 and name HA )((resid 49 and name HB1 ) or (resid 49 and name HB2)) 0.0 1.8 5.0 !
!ALA 50
assign (resid 50 and name HB* )(resid 51 and name HA ) 0.0 1.8 5.0 !
!SER 51
!LEU 52
assign ((resid 52 and name HB1 ) or (resid 52 and name HB2))(resid 53 and name HA ) 0.0 1.8 5.0 !
!GLN 53
assign (resid 53 and name HG* )(resid 54 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 53 and name HG* )(resid 54 and name HG2* ) 0.0 1.8 5.0 !
assign (resid 53 and name HG* )(resid 54 and name HG1* ) 0.0 1.8 5.0 !
assign ((resid 54 and name HG1* ) or (resid 54 and name HG2*))(resid 53 and name HE* ) 0.0 1.8 5.0 !
assign ((resid 54 and name HG1* ) or (resid 54 and name HG2*))(resid 53 and name HA ) 0.0 1.8 5.0 !
assign (resid 54 and name HG1* )(resid 53 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 54 and name HG2* )(resid 53 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 54 and name HG1* )(resid 53 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 54 and name HG2* )(resid 53 and name HB2 ) 0.0 1.8 5.0 !
!VAL 54 
!ASP 55
!ARG 56
assign (resid 57 and name HA )(resid 56 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 57 and name HA )(resid 56 and name HB2 ) 0.0 1.8 5.0 !
!ASP 57 
assign (resid 57 and name HA )((resid 58 and name HA ) or (resid 59 and name HA)) 0.0 1.8 5.0 !
assign (resid 57 and name HA )((resid 58 and name HB* ) or (resid 59 and name HB*)) 0.0 1.8 5.0 !
!ALA 58
!ALA 59  
!ARG 60 
!SER 61
assign (resid 61 and name HB* )(resid 62 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 61 and name HB* )((resid 62 and name HG1 ) or (resid 62 and name HG2)) 0.0 1.8 5.0 !
!ARG 62
!ARG 63
assign (resid 63 and name HG* )((resid 64 and name HD1* ) or (resid 64 and name HD2*)) 0.0 1.8 5.0 !
!LEU 64
assign (resid 65 and name HG1 )(resid 64 and name HG ) 0.0 1.8 5.0 ! 
assign (resid 65 and name HG2 )(resid 64 and name HG ) 0.0 1.8 5.0 ! 
!MET 65
assign (resid 66 and name HA )(resid 65 and name HB1 ) 0.0 1.8 5.0 !
assign (resid 66 and name HA )(resid 65 and name HB2 ) 0.0 1.8 5.0 !
assign (resid 66 and name HB* )((resid 65 and name HB1 ) or (resid 65 and name HB2)) 0.0 1.8 5.0 !
!ALA 66
assign (resid 66 and name HB* )(resid 67 and name HA ) 0.0 1.8 5.0 ! 
!LYS 67 
!LEU 68
assign ((resid 68 and name HB1 ) or (resid 68 and name HB2))(resid 69 and name H*) 0.0 1.8 5.0 ! 
!ALA 69
assign (resid 69 and name HB* )(resid 70 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 70 and name HA )(resid 69 and name HA ) 0.0 1.8 5.0 !
!ASP 70 
!PHE 71
assign (resid 71 and name HA )(resid 72 and name HA ) 0.0 1.8 5.0 !
assign (resid 72 and name HB* )(resid 71 and name HD* ) 0.0 1.8 5.0 !
assign (resid 72 and name HB* )(resid 71 and name HA ) 0.0 1.8 5.0 !
!ALA 72 
assign (resid 72 and name HB* )((resid 71 and name HE* ) or (resid 75 and name HE2*)) 0.0 1.8 5.0 !
!VAL 73
assign (resid 73 and name HA )(resid 74 and name HA ) 0.0 1.8 5.0 !
assign (resid 74 and name HA )(resid 73 and name HG* ) 0.0 1.8 5.0 !
assign (resid 74 and name HG1 )(resid 73 and name HG* ) 0.0 1.8 5.0 !
assign (resid 74 and name HG2 )(resid 73 and name HG* ) 0.0 1.8 5.0 !
!GLU 74 
assign (resid 74 and name HA )(resid 75 and name HA ) 0.0 1.8 5.0 !
!GLN 75 
assign (resid 75 and name HA )(resid 76 and name HA ) 0.0 1.8 5.0 !
!GLU 76
assign (resid 76 and name HA )(resid 77 and name HA ) 0.0 1.8 5.0 !
assign (resid 76 and name HA )(resid 77 and name HB ) 0.0 1.8 5.0 !
assign (resid 76 and name HA )((resid 77 and name HG1* ) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
!VAL 77
assign (resid 77 and name HA )(resid 78 and name HG2* ) 0.0 1.8 5.0 ! 
assign (resid 78 and name HB )((resid 77 and name HG1* ) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 78 and name HG2* )((resid 77 and name HG1* ) or (resid 77 and name HG2*)) 0.0 1.8 5.0 !
!THR 78
assign (resid 78 and name HA )(resid 79 and name HA ) 0.0 1.8 5.0 ! 
assign (resid 78 and name HA )(resid 79 and name HB* ) 0.0 1.8 5.0 !
assign (resid 78 and name HB )(resid 79 and name HB* ) 0.0 1.8 5.0 ! 
assign (resid 78 and name HG2* )(resid 79 and name HB* ) 0.0 1.8 5.0 ! 
assign (resid 79 and name HA )(resid 78 and name HB ) 0.0 1.8 5.0 !
!ALA 79
assign (resid 80 and name HA1 )(resid 79 and name HB* ) 0.0 1.8 5.0 !
assign (resid 80 and name HA2 )(resid 79 and name HB* ) 0.0 1.8 5.0 !
!GLY 80
!ASP 81 
assign (resid 81 and name HA )(resid 82 and name HB*) 0.0 1.8 5.0 !
!ARG 82
assign (resid 82 and name HB*)(resid 83 and name HB) 0.0 1.8 5.0 !
assign ((resid 83 and name HG1* ) or (resid 83 and name HG2*))(resid 82 and name HA) 0.0 1.8 5.0 !
!VAL 83
assign (resid 83 and name HA )(resid 84 and name HB) 0.0 1.8 5.0 !
assign (resid 83 and name HA )((resid 84 and name HG1*) or (resid 84 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 83 and name HG1* ) or (resid 83 and name HG2*))(resid 84 and name HB ) 0.0 1.8 5.0 !
!VAL 84 
assign (resid 84 and name HA )(resid 85 and name HB) 0.0 1.8 5.0 !
assign ((resid 85 and name HG1* ) or (resid 85 and name HG2*))(resid 84 and name HA) 0.0 1.8 5.0 !
!VAL 85
!ILE 86
assign (resid 86 and name HA )((resid 85 and name HA) or (resid 87 and name HA)) 0.0 1.8 5.0 !
!ASP 87
!GLY 88
assign (resid 89 and name HA )(resid 88 and name HA1) 0.0 1.8 5.0 !
assign (resid 89 and name HA )(resid 88 and name HA2) 0.0 1.8 5.0 !
!LEU 89 
assign ((resid 89 and name HD1*) or (resid 89 and name HD2*))(resid 90 and name HB*) 0.0 1.8 5.0 !
!ASP 90
!ARG 91
!MET 92
assign (resid 92 and name HA )(resid 93 and name HB*) 0.0 1.8 5.0 !
assign (resid 93 and name HA )((resid 92 and name HB1) or (resi 92 and name HB2)) 0.0 1.8 5.0 !
!ALA 93 
assign (resid 93 and name HA )(resid 94 and name HA) 0.0 1.8 5.0 !
assign (resid 93 and name HB* )(resid 94 and name HA) 0.0 1.8 5.0 !
!HIS 94
assign (resid 94 and name HA )((resid 95 and name HB1) or (resid 95 and name HB2)) 0.0 1.8 5.0 !
!PHE 95
!LYS 96 
assign (resid 97 and name HB* )((resid 96 and name HB1) or (resid 96 and name HB2)) 0.0 1.8 5.0 !
assign (resid 97 and name HB* )(resid 96 and name HG1) 0.0 1.8 5.0 !
assign (resid 97 and name HB* )(resid 96 and name HG2) 0.0 1.8 5.0 !
!ASP 97
assign (resid 98 and name HA )(resid 97 and name HB*) 0.0 1.8 5.0 !
!ASP 98
!LEU 99 
assign (resid 100 and name HG1* )(resid 99 and name HA) 0.0 1.8 5.0 !
assign (resid 100 and name HG2* )(resid 99 and name HA) 0.0 1.8 5.0 !
!VAL 100 
assign (resid 100 and name HA )(resid 101 and name HG) 0.0 1.8 5.0 ! 
assign ((resid 100 and name HG1* ) or (resid 100 and name HG2*))(resid 101 and name HA) 0.0 1.8 5.0 !
!LEU 101
assign (resid 101 and name HA )(resid 102 and name HB) 0.0 1.8 5.0 !
assign (resid 101 and name HA )((resid 102 and name HG1*) or (resid 102 and name HG2*)) 0.0 1.8 5.0 !
!VAL 102
assign (resid 103 and name HD1 )(resid 102 and name HA) 0.0 1.8 3.5 !
assign (resid 103 and name HD2 )(resid 102 and name HA) 0.0 1.8 3.5 !
assign (resid 102 and name HA )(resid 103 and name HG1) 0.0 1.8 5.0 !
assign (resid 102 and name HA )(resid 103 and name HG2) 0.0 1.8 5.0 !
assign (resid 102 and name HB )((resid 101 and name HA) or (resid 118 and name HA)) 0.0 1.8 5.0 !
assign (resid 102 and name HB )((resid 103 and name HD1) or (resid 103 and name HD2)) 0.0 1.8 5.0 !
assign (resid 103 and name HA )(resid 102 and name HA) 0.0 1.8 5.0 ! 
!PRO 103
!LEU 104
assign (resid 104 and name HB* )(resid 105 and name HB) 0.0 1.8 5.0 !
assign (resid 104 and name HB* )(resid 105 and name HG2*) 0.0 1.8 5.0 !
assign (resid 104 and name HG )(resid 105 and name HB) 0.0 1.8 5.0 !
assign (resid 104 and name HG )(resid 105 and name HG2*) 0.0 1.8 5.0 ! 
assign (resid 104 and name HD* )((resid 104 and name HA) or (resid 105 and name HA)) 0.0 1.8 5.0 !
assign (resid 104 and name HD* )(resid 105 and name HB) 0.0 1.8 5.0 ! 
assign (resid 105 and name HA )(resid 104 and name HB*) 0.0 1.8 5.0 !
assign (resid 105 and name HA )(resid 104 and name HG) 0.0 1.8 5.0 ! 
!THR 105
assign (resid 105 and name HA )(resid 106 and name HA) 0.0 1.8 5.0 !
assign (resid 105 and name HA )((resid 105 and name HB) or (resid 113 and name HA)) 0.0 1.8 5.0 !
assign (resid 105 and name HA )(resid 106 and name HB) 0.0 1.8 5.0 !
assign (resid 106 and name HA )(resid 105 and name HG2*) 0.0 1.8 5.0 !
!THR 106 
assign (resid 107 and name HA )(resid 106 and name HB) 0.0 1.8 5.0 !
!LYS 107
assign (resid 108 and name HB )(resid 107 and name HA) 0.0 1.8 5.0 !
!VAL 108
assign (resid 108 and name HA )((resid 109 and name HG1*) or (resid 109 and name HG2*)) 0.0 1.8 5.0 !
assign (resid 108 and name HB )((resid 109 and name HG1*) or (resid 109 and name HG2*)) 0.0 1.8 5.0 ! 
assign ((resid 108 and name HG1* ) or (resid 108 and name HG2*))(resid 109 and name HG*) 0.0 1.8 5.0 !
assign (resid 109 and name HA )((resid 108 and name HG1*) or (resid 108 and name HG2*)) 0.0 1.8 5.0 !
!VAL 109 
assign (resid 109 and name HA )(resid 110 and name HA*) 0.0 1.8 5.0 !
!GLY 110
!GLY 111
assign (resid 112 and name HA )((resid 111 and name HA1) or (resid 111 and name HA2)) 0.0 1.8 5.0 !
!SER 112 
assign (resid 112 and name HA )((resid 113 and name HB1) or (resid 113 and name HB2)) 0.0 1.8 5.0 !
!ARG 113 
!CYS 114
assign (resid 115 and name HB )(resid 114 and name HA) 0.0 1.8 5.0 !
!THR 115
assign (resid 115 and name HA )(resid 116 and name HG2*) 0.0 1.8 5.0 !
assign (resid 115 and name HG2* )(resid 116 and name HA) 0.0 1.8 3.5 !
assign (resid 116 and name HB )(resid 115 and name HG2*) 0.0 1.8 5.0 !
!ILE 116 
assign (resid 116 and name HG2* )(resid 117 and name HA) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )((resid 117 and name HB1) or (resid 117 and name HB2)) 0.0 1.8 5.0 !
assign (resid 116 and name HG2* )((resid 117 and name HB*) or (resid 118 and name HB*)) 0.0 1.8 5.0 ! 
assign (resid 117 and name HA )((resid 116 and name HG11) or (resid 116 and name HG12)) 0.0 1.8 5.0 ! 
assign (resid 117 and name HA )(resid 116 and name HG2*) 0.0 1.8 5.0 ! 4d
!CYS 117 
assign (resid 118 and name HA )(resid 117 and name HA) 0.0 1.8 5.0 !
!ASP 118
assign (resid 118 and name HA )((resid 119 and name HG1*) or (resid 119 and name HG2*)) 0.0 1.8 5.0 !
assign ((resid 119 and name HG1* ) or (resid 119 and name HG2*))(resid 118 and name HB*) 0.0 1.8 5.0 !
!VAL 119 
assign (resid 119 and name HA )(resid 120 and name HG1*) 0.0 1.8 5.0 ! 
assign (resid 119 and name HA )(resid 120 and name HG2*) 0.0 1.8 5.0 !  
assign (resid 119 and name HB )((resid 120 and name HG1*) or (resid 120 and name HG2*)) 0.0 1.8 5.0 ! 
!VAL 120
assign (resid 121 and name HB1 )(resid 120 and name HA) 0.0 1.8 5.0 !
assign (resid 121 and name HB2 )(resid 120 and name HA) 0.0 1.8 5.0 !
!LYS 121 
assign ((resid 122 and name HB1 ) or (resid 122 and name HB2))(resid 121 and name HA) 0.0 1.8 5.0 !
!GLU 122
!GLU 123

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