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
583016 2mop 19947 cing 1-original 1 XPLOR/CNS distance NOE simple


!################################################################# 

! BITISTATIN isoform "A"

! UNAMBIGUOUS NOE CONSTRAINTS

!#################################################################




! SER 1:

assign (residue 1 and name ha) (residue 2 and name hd#) 4.0 4.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hb#) 6.0 6.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hg#) 6.0 6.0 0.0 

assign (residue 1 and name hb#) (residue 2 and name hd#) 5.0 5.0 0.0 



! PRO 2:

assign (residue 2 and name ha) (residue 3 and name hb#) 6.0 6.0 0.0 

assign (residue 2 and name ha) (residue 3 and name hd#) 4.0 4.0 0.0 

assign (residue 2 and name hb#) (residue 3 and name hd#) 5.0 5.0 0.0 

assign (residue 2 and name hb#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 2 and name hd#) (residue 4 and name hg#) 6.0 6.0 0.0 



! PRO 3:

assign (residue 3 and name ha) (residue 4 and name hn) 4.0 4.0 0.0 

assign (residue 3 and name ha) (residue 4 and name hb) 5.0 5.0 0.0 

assign (residue 3 and name ha) (residue 4 and name hg#) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 4 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 3 and name hg#) (residue 4 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hd#) (residue 4 and name hg#) 6.0 6.0 0.0 

assign (residue 3 and name ha) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 3 and name hb#) (residue 5 and name hn) 5.0 5.0 0.0 



! VAL 4:

assign (residue 4 and name hn) (residue 4 and name ha) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 4 and name hb) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 4 and name hg#) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name ha) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name ha) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hb) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 5 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 7 and name ha) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hn) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 7 and name hd2#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 8 and name hn) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 8 and name ha) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 18 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hn) (residue 19 and name ha#) 5.0 5.0 0.0 

assign (residue 4 and name hn) (residue 20 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 20 and name ha) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 20 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hb#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hg#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 21 and name hd#) 5.0 5.0 0.0 

assign (residue 4 and name hg#) (residue 24 and name hn) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 4 and name hg#) (residue 32 and name hb#) 6.0 6.0 0.0 



! CYS 5:

assign (residue 5 and name hn) (residue 5 and name ha) 5.0 5.0 0.0 

assign (residue 5 and name hn) (residue 5 and name hb#) 5.0 5.0 0.0 

assign (residue 5 and name hn) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name ha) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name hb#) (residue 6 and name hn) 5.0 5.0 0.0 

assign (residue 5 and name hb#) (residue 7 and name hn) 6.0 6.0 0.0 

assign (residue 5 and name hn) (residue 19 and name hn) 6.0 6.0 0.0 

assign (residue 5 and name ha) (residue 19 and name hn) 6.0 6.0 0.0 



! GLY 6:

assign (residue 6 and name hn) (residue 6 and name ha#) 5.0 5.0 0.0 

assign (residue 6 and name hn) (residue 7 and name hn) 4.0 4.0 0.0 

assign (residue 6 and name ha#) (residue 7 and name hn) 5.0 5.0 0.0 



! ASN 7:

assign (residue 7 and name hn) (residue 7 and name ha) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 7 and name hb#) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 7 and name hd2#) 5.0 5.0 0.0 

assign (residue 7 and name hn) (residue 8 and name hn) 5.0 5.0 0.0 

assign (residue 7 and name ha) (residue 8 and name hn) 4.0 4.0 0.0 

assign (residue 7 and name hb#) (residue 8 and name hn) 4.0 4.0 0.0 

assign (residue 7 and name hb#) (residue 8 and name ha) 5.0 5.0 0.0 

assign (residue 7 and name hb#) (residue 9 and name hg2#) 5.0 5.0 0.0 

assign (residue 7 and name ha) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name hb#) (residue 10 and name hb#) 5.5 5.5 0.0 

assign (residue 7 and name hb#) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name hd2#) (residue 10 and name hd#) 6.0 6.0 0.0 

assign (residue 7 and name ha) (residue 21 and name hg#) 6.0 6.0 0.0 

assign (residue 7 and name ha) (residue 21 and name hd#) 6.0 6.0 0.0 



! LYS 8:

assign (residue 8 and name hn) (residue 8 and name ha) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 8 and name hb#) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 8 and name hg#) 5.0 5.0 0.0 

assign (residue 8 and name hn) (residue 9 and name hn) 5.0 5.0 0.0 

assign (residue 8 and name ha) (residue 9 and name hn) 4.0 4.0 0.0 

assign (residue 8 and name hb#) (residue 9 and name hn) 5.0 5.0 0.0 

assign (residue 8 and name hg#) (residue 9 and name hn) 5.0 5.0 0.0 



! ILE 9:

assign (residue 9 and name hn) (residue 9 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hb) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hg1#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hg2#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 9 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hn) 3.0 3.0 0.0 

assign (residue 9 and name ha) (residue 10 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name ha) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 10 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 10 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 10 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name ha) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hb#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hd#) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hn) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 12 and name hb#) 6.0 6.0 0.0 

assign (residue 9 and name ha) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hb) (residue 12 and name ha) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 12 and name hg#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 12 and name he2#) 6.0 6.0 0.0 

assign (residue 9 and name hd#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hb) (residue 13 and name ha#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 13 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hg1#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 9 and name hg1#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hg2#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hd#) (residue 15 and name hn) 6.0 6.0 0.0 

assign (residue 9 and name hd#) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 9 and name hn) (residue 21 and name hd#) 6.0 6.0 0.0 

assign (residue 9 and name hg2#) (residue 44 and name he#) 6.0 6.0 0.0 



! LEU 10:

assign (residue 10 and name hn) (residue 10 and name ha) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 10 and name hb#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 10 and name hd#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name ha) (residue 11 and name hn) 3.0 3.0 0.0 

assign (residue 10 and name ha) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 10 and name hb#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hb#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 10 and name hg) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hg) (residue 11 and name hg#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hb#) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 10 and name hn) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 10 and name hd#) (residue 12 and name hn) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 15 and name hb#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 10 and name hd#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLU 11:

assign (residue 11 and name hn) (residue 11 and name ha) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 11 and name hb#) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 11 and name hg#) 5.0 5.0 0.0 

assign (residue 11 and name hn) (residue 12 and name hn) 4.0 4.0 0.0 

assign (residue 11 and name ha) (residue 12 and name hn) 3.5 3.5 0.0 

assign (residue 11 and name ha) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 11 and name hb#) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 11 and name hg#) (residue 12 and name hn) 5.0 5.0 0.0 

assign (residue 11 and name ha) (residue 13 and name hn) 6.0 6.0 0.0 

assign (residue 11 and name hg#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 11 and name hg#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLN 12:

assign (residue 12 and name hn) (residue 12 and name ha) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 12 and name hb#) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 12 and name hg#) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 13 and name hn) 4.0 4.0 0.0 

assign (residue 12 and name ha) (residue 13 and name hn) 3.5 3.5 0.0 

assign (residue 12 and name hb#) (residue 13 and name hn) 4.0 4.0 0.0 

assign (residue 12 and name hg#) (residue 13 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 14 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hn) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 12 and name hg#) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 12 and name hg#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 12 and name hg#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLY 13:

assign (residue 13 and name hn) (residue 13 and name ha#) 5.0 5.0 0.0 

assign (residue 13 and name hn) (residue 14 and name hn) 4.0 4.0 0.0 

assign (residue 13 and name hn) (residue 14 and name ha) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 14 and name hn) 4.0 4.0 0.0 

assign (residue 13 and name hn) (residue 14 and name hg#) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 14 and name hg#) 6.0 6.0 0.0 

assign (residue 13 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 13 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 13 and name ha#) (residue 44 and name he#) 6.0 6.0 0.0 



! GLU 14:

assign (residue 14 and name hn) (residue 14 and name ha) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 14 and name hb#) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 14 and name hg#) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 15 and name hn) 4.0 4.0 0.0 

assign (residue 14 and name ha) (residue 15 and name hn) 4.0 4.0 0.0 

assign (residue 14 and name hb#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 14 and name hg#) (residue 15 and name hn) 5.0 5.0 0.0 

assign (residue 14 and name hn) (residue 16 and name hb#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 35 and name hb#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 35 and name hg#) 6.0 6.0 0.0 

assign (residue 14 and name hg#) (residue 35 and name hg#) 6.0 6.0 0.0 

assign (residue 14 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hg#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 14 and name ha) (residue 44 and name he#) 6.0 6.0 0.0 



! ASP 15:

assign (residue 15 and name hn) (residue 15 and name ha) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 15 and name hb#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 16 and name hn) 5.0 5.0 0.0 

assign (residue 15 and name hb#) (residue 16 and name hn) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name ha) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name hg#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 35 and name hd#) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 36 and name hb#) 5.0 5.0 0.0 

assign (residue 15 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 15 and name ha) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 15 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name hn) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 15 and name hb#) (residue 44 and name he#) 6.0 6.0 0.0 



! CYS 16:

assign (residue 16 and name hn) (residue 16 and name ha) 5.0 5.0 0.0 

assign (residue 16 and name hn) (residue 16 and name hb#) 5.0 5.0 0.0 

assign (residue 16 and name hn) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name ha) (residue 17 and name hn) 3.5 3.5 0.0 

assign (residue 16 and name hb#) (residue 17 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 34 and name hb#) 6.0 6.0 0.0 

assign (residue 16 and name hb#) (residue 35 and name hn) 6.0 6.0 0.0 

assign (residue 16 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 16 and name hb#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 16 and name hb#) (residue 36 and name hd#) 5.0 5.0 0.0 



! ASP 17:

assign (residue 17 and name hn) (residue 17 and name ha) 5.0 5.0 0.0 

assign (residue 17 and name hn) (residue 17 and name hb#) 5.0 5.0 0.0 

assign (residue 17 and name hn) (residue 18 and name hn) 5.0 5.0 0.0 

assign (residue 17 and name ha) (residue 18 and name hn) 5.0 5.0 0.0 

assign (residue 17 and name hb#) (residue 18 and name hn) 5.0 5.0 0.0 



! CYS 18:

assign (residue 18 and name hn) (residue 18 and name ha) 5.0 5.0 0.0 

assign (residue 18 and name hn) (residue 18 and name hb#) 5.0 5.0 0.0 

assign (residue 18 and name hn) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name ha) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 19 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 21 and name ha) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 21 and name hb#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 25 and name hn) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 25 and name hg#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 29 and name hb#) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name ha) 6.0 6.0 0.0 

assign (residue 18 and name hb#) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 18 and name hb#) (residue 32 and name hn) 5.0 5.0 0.0 



! GLY 19:

assign (residue 19 and name hn) (residue 19 and name ha#) 5.0 5.0 0.0 

assign (residue 19 and name hn) (residue 20 and name hn) 5.0 5.0 0.0 

assign (residue 19 and name ha#) (residue 20 and name hn) 5.0 5.0 0.0 

assign (residue 19 and name ha#) (residue 20 and name ha) 5.0 5.0 0.0 



! SER 20:

assign (residue 20 and name hn) (residue 20 and name ha) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 20 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name hb#) (residue 21 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hg#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 21 and name hd#) 4.0 4.0 0.0 

assign (residue 20 and name hb#) (residue 21 and name hd#) 5.0 5.0 0.0 

assign (residue 20 and name hn) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name hb#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 20 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 



! PRO 21:

assign (residue 21 and name ha) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hg#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 22 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name ha) 4.0 4.0 0.0 

assign (residue 21 and name hb#) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 23 and name hn) 6.0 6.0 0.0 

assign (residue 21 and name hd#) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 23 and name hb#) 6.0 6.0 0.0 

assign (residue 21 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hb#) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 21 and name hd#) (residue 31 and name hb#) 5.0 5.0 0.0 



! ALA 22:

assign (residue 22 and name hn) (residue 22 and name ha) 5.0 5.0 0.0 

assign (residue 22 and name hn) (residue 22 and name hb#) 5.0 5.0 0.0 

assign (residue 22 and name hn) (residue 23 and name hn) 5.0 5.0 0.0 

assign (residue 22 and name ha) (residue 23 and name hn) 4.0 4.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hn) 4.0 4.0 0.0 

assign (residue 22 and name ha) (residue 23 and name ha) 6.0 6.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 22 and name hb#) (residue 23 and name hd2#) 5.0 5.0 0.0 



! ASN 23:

assign (residue 23 and name hn) (residue 23 and name ha) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 23 and name hb#) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 23 and name hd2#) 5.0 5.0 0.0 

assign (residue 23 and name hn) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name ha) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name hb#) (residue 24 and name hn) 5.0 5.0 0.0 

assign (residue 23 and name hd2#) (residue 27 and name hg#) 6.0 6.0 0.0 

assign (residue 23 and name hd2) (residue 27 and name hd#) 5.0 5.0 0.0 



! CYS 24:

assign (residue 24 and name hn) (residue 24 and name ha) 5.0 5.0 0.0 

assign (residue 24 and name hn) (residue 24 and name hb#) 5.0 5.0 0.0 

assign (residue 24 and name hn) (residue 25 and name hn) 5.0 5.0 0.0 

assign (residue 24 and name ha) (residue 25 and name hn) 4.0 4.0 0.0 

assign (residue 24 and name hb#) (residue 25 and name hn) 5.0 5.0 0.0 



! GLN 25:

assign (residue 25 and name hn) (residue 25 and name ha) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 25 and name hb#) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 25 and name hg#) 5.0 5.0 0.0 

assign (residue 25 and name hn) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name ha) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name hb#) (residue 26 and name hn) 5.0 5.0 0.0 

assign (residue 25 and name hg#) (residue 26 and name hn) 5.0 5.0 0.0 



! ASP 26:

assign (residue 26 and name hn) (residue 26 and name ha) 5.0 5.0 0.0 

assign (residue 26 and name hn) (residue 26 and name hb#) 5.0 5.0 0.0 

assign (residue 26 and name hn) (residue 27 and name hn) 5.0 5.0 0.0 

assign (residue 26 and name ha) (residue 27 and name hn) 5.0 5.0 0.0 

assign (residue 26 and name hb#) (residue 27 and name hn) 5.0 5.0 0.0 



! ARG 27:

assign (residue 27 and name hn) (residue 27 and name ha) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hb#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hg#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 27 and name hd#) 5.0 5.0 0.0 

assign (residue 27 and name hn) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name ha) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hb#) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hg#) (residue 28 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name ha) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 27 and name hg#) (residue 50 and name ha) 6.0 6.0 0.0 



! CYS 28:

assign (residue 28 and name hn) (residue 28 and name ha) 5.0 5.0 0.0 

assign (residue 28 and name hn) (residue 28 and name hb#) 5.0 5.0 0.0 

assign (residue 28 and name hn) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 28 and name ha) (residue 29 and name hn) 4.0 4.0 0.0 

assign (residue 28 and name hb#) (residue 29 and name hn) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 28 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 

assign (residue 28 and name ha) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 51 and name ha) 5.0 5.0 0.0 

assign (residue 28 and name hb#) (residue 51 and name hb#) 5.0 5.0 0.0 



! CYS 29:

assign (residue 29 and name hn) (residue 29 and name ha) 5.0 5.0 0.0 

assign (residue 29 and name hn) (residue 29 and name hb#) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hn) 4.0 4.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hb#) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 30 and name hd2#) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 30 and name hn) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 29 and name hb#) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 29 and name ha) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 29 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 29 and name ha) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 29 and name ha) (residue 37 and name hg2#) 4.0 4.0 0.0 

assign (residue 29 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 

assign (residue 29 and name hb#) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ASN 30:

assign (residue 30 and name hn) (residue 30 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 30 and name hb#) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 30 and name hd2#) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 31 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 31 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name ha) (residue 31 and name hn) 4.0 4.0 0.0 

assign (residue 30 and name ha) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 31 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 31 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name ha) (residue 32 and name hn) 3.0 3.0 0.0 

assign (residue 30 and name ha) (residue 32 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 32 and name hb#) 6.0 6.0 0.0 

assign (residue 30 and name hd2#) (residue 32 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hd2#) (residue 32 and name hb#) 4.0 4.0 0.0 

assign (residue 30 and name hn) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 33 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 33 and name hg2#) 4.0 4.0 0.0 

assign (residue 30 and name hn) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 30 and name hd2#) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 36 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 30 and name hn) (residue 37 and name hn) 6.0 6.0 0.0 

assign (residue 30 and name hb#) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name ha) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 30 and name hb#) (residue 37 and name hg2#) 4.0 4.0 0.0 

assign (residue 30 and name hd2#) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 30 and name hd2#) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ALA 31:

assign (residue 31 and name hn) (residue 31 and name ha) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 31 and name hb#) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hn) (residue 32 and name hb#) 5.0 5.0 0.0 

assign (residue 31 and name ha) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hb#) (residue 32 and name hn) 4.0 4.0 0.0 

assign (residue 31 and name hb#) (residue 32 and name ha) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 31 and name ha) (residue 33 and name hn) 5.0 5.0 0.0 

assign (residue 31 and name hn) (residue 33 and name hg2#) 6.0 6.0 0.0 

assign (residue 31 and name hb#) (residue 33 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hn) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name ha) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hb#) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 31 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 



! ALA 32:

assign (residue 32 and name hn) (residue 32 and name ha) 5.0 5.0 0.0 

assign (residue 32 and name hn) (residue 32 and name hb#) 5.0 5.0 0.0 

assign (residue 32 and name hn) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hn) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 32 and name ha) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name hn) 4.0 4.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name ha) 5.0 5.0 0.0 

assign (residue 32 and name hb#) (residue 33 and name hg2#) 4.0 4.0 0.0 

assign (residue 32 and name hn) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 32 and name hb#) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 32 and name hn) (residue 35 and name hn) 6.0 6.0 0.0 



! THR 33:

assign (residue 33 and name hn) (residue 33 and name ha) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 33 and name hb) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 33 and name hg2#) 5.0 5.0 0.0 

assign (residue 33 and name hn) (residue 34 and name hn) 4.0 4.0 0.0 

assign (residue 33 and name hn) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 33 and name ha) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hb) (residue 34 and name hn) 6.0 6.0 0.0 

assign (residue 33 and name hg2#) (residue 34 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hg2#) (residue 34 and name hb#) 6.0 6.0 0.0 

assign (residue 33 and name ha) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hb) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 33 and name hb) (residue 35 and name hb#) 5.0 5.0 0.0  

assign (residue 33 and name hg2#) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 33 and name hg2#) (residue 35 and name hz#) 6.0 6.0 0.0 



! CYS 34:

assign (residue 34 and name hn) (residue 34 and name ha) 5.0 5.0 0.0 

assign (residue 34 and name hn) (residue 34 and name hb#) 5.0 5.0 0.0 

assign (residue 34 and name hn) (residue 35 and name hn) 5.0 5.0 0.0 

assign (residue 34 and name ha) (residue 35 and name hn) 4.0 4.0 0.0 

assign (residue 34 and name hb#) (residue 35 and name hn) 5.0 5.0 0.0 



! LYS 35:

assign (residue 35 and name hn) (residue 35 and name ha) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hb#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hg#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name hd#) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 35 and name he#) 6.0 6.0 0.0 

assign (residue 35 and name hn) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name ha) (residue 36 and name hn) 4.0 4.0 0.0 

assign (residue 35 and name ha) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name hb#) (residue 36 and name hn) 4.0 4.0 0.0 

assign (residue 35 and name hb#) (residue 36 and name hd#) 6.0 6.0 0.0 

assign (residue 35 and name hg#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hd#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name he#) (residue 36 and name hn) 5.0 5.0 0.0 

assign (residue 35 and name hn) (residue 37 and name hg2#) 6.0 6.0 0.0 



! LEU 36:

assign (residue 36 and name hn) (residue 36 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hg) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 36 and name hd#) 5.0 5.0 0.0 

assign (residue 36 and name hn) (residue 37 and name hn) 5.0 5.0 0.0  

assign (residue 36 and name ha) (residue 37 and name hn) 4.0 4.0 0.0 

assign (residue 36 and name hb#) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hg) (residue 37 and name hn) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 37 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 36 and name hb#) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hg) (residue 40 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 40 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 41 and name hn) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 41 and name ha) 4.0 4.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 42 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name ha) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 43 and name hb#) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 44 and name hn) 5.0 5.0 0.0 

assign (residue 36 and name hd#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 36 and name hd#) (residue 53 and name he#) 6.0 6.0 0.0 



! THR 37:

assign (residue 37 and name hn) (residue 37 and name ha) 5.0 5.0 0.0 

assign (residue 37 and name hn) (residue 37 and name hb) 5.0 5.0 0.0 

assign (residue 37 and name hn) (residue 37 and name hg2#) 5.0 5.0 0.0 

assign (residue 37 and name ha) (residue 38 and name hg#) 6.0 6.0 0.0 

assign (residue 37 and name ha) (residue 38 and name hd#) 4.0 4.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hb#) 6.0 6.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hg#) 6.0 6.0 0.0 

assign (residue 37 and name hb) (residue 38 and name hd#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hb#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hg#) 5.0 5.0 0.0 

assign (residue 37 and name hg2#) (residue 38 and name hd#) 4.0 4.0 0.0 

assign (residue 37 and name hg2#) (residue 40 and name hb#) 5.0 5.0 0.0 



! PRO 38:

assign (residue 38 and name ha) (residue 39 and name hn) 2.2 2.2 0.0 

assign (residue 38 and name ha) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 38 and name hb#) (residue 39 and name hn) 4.0 4.0 0.0 

assign (residue 38 and name hb#) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 38 and name hg#) (residue 39 and name hn) 5.0 5.0 0.0 

assign (residue 38 and name hd#) (residue 39 and name hn) 6.0 6.0 0.0 



! GLY 39:

assign (residue 39 and name hn) (residue 39 and name ha#) 5.0 5.0 0.0 

assign (residue 39 and name hn) (residue 40 and name hn) 4.0 4.0 0.0 

assign (residue 39 and name hn) (residue 40 and name ha) 6.0 6.0 0.0 

assign (residue 39 and name ha#) (residue 40 and name hn) 5.0 5.0 0.0 

assign (residue 39 and name ha#) (residue 52 and name he) 6.0 6.0 0.0 



! SER 40:

assign (residue 40 and name hn) (residue 40 and name ha) 5.0 5.0 0.0 

assign (residue 40 and name hn) (residue 40 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name hn) (residue 41 and name hn) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hn) 4.0 4.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hb#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 41 and name hg#) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 41 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name hb#) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 40 and name ha) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 40 and name ha) (residue 52 and name he) 6.0 6.0 0.0 



! GLN 41:

assign (residue 41 and name hn) (residue 41 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name hb#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name hg#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 41 and name he2#) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 42 and name hn) 4.0 4.0 0.0 

assign (residue 41 and name ha) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 42 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 47 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hn) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name ha) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name ha) 4.5 4.5 0.0 

assign (residue 41 and name hb#) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hb#) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 52 and name he) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name ha) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 52 and name hd#) 6.0 6.0 0.0 

assign (residue 41 and name hn) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name ha) (residue 53 and name hd#) 6.0 6.0 0.0  

assign (residue 41 and name ha) (residue 53 and name he#) 6.0 6.0 0.0  

assign (residue 41 and name hb#) (residue 53 and name hn) 4.0 4.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name hb#) (residue 53 and name he#) 4.5 4.5 0.0 

assign (residue 41 and name hg#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 41 and name hg#) (residue 53 and name hd#) 5.5 5.5 0.0 

assign (residue 41 and name hg#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name ha) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 41 and name he2#) (residue 53 and name he#) 6.0 6.0 0.0 



! CYS 42:

assign (residue 42 and name hn) (residue 42 and name ha) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 42 and name hb#) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name ha) (residue 43 and name hn) 4.0 4.0 0.0 

assign (residue 42 and name hb#) (residue 43 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name ha) (residue 44 and name hn) 4.0 4.0 0.0 

assign (residue 42 and name ha) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 51 and name hb#) 6.0 6.0 0.0 

assign (residue 42 and name hn) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 42 and name hn) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name ha) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 42 and name ha) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 42 and name hb#) (residue 77 and name hn) 6.0 6.0 0.0 

assign (residue 42 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 



! ASN 43:

assign (residue 43 and name hn) (residue 43 and name ha) 5.0 5.0 0.0 

assign (residue 43 and name hn) (residue 43 and name hb#) 5.0 5.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hn) 3.0 3.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hb#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name ha) (residue 44 and name hn) 4.0 4.0 0.0 

assign (residue 43 and name ha) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hb#) (residue 44 and name hn) 5.0 5.0 0.0 

assign (residue 43 and name hb#) (residue 44 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 43 and name hn) (residue 53 and name he#) 6.0 6.0 0.0 



! TYR 44:

assign (residue 44 and name hn) (residue 44 and name ha) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name hb#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name hd#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 44 and name he#) 6.0 6.0 0.0 

assign (residue 44 and name hn) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name ha) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name hb#) (residue 45 and name hn) 4.0 4.0 0.0 

assign (residue 44 and name hd#) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name hd#) (residue 45 and name ha#) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 45 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 45 and name ha#) 6.0 6.0 0.0 

assign (residue 44 and name hd#) (residue 46 and name hn) 5.0 5.0 0.0 

assign (residue 44 and name he#) (residue 46 and name hn) 6.0 6.0 0.0 

assign (residue 44 and name hn) (residue 48 and name hb#) 5.0 5.0 0.0 

assign (residue 44 and name hn) (residue 77 and name hb#) 5.0 5.0 0.0 



! GLY 45:

assign (residue 45 and name hn) (residue 45 and name ha#) 5.0 5.0 0.0 

assign (residue 45 and name hn) (residue 46 and name hn) 5.0 5.0 0.0 

assign (residue 45 and name ha#) (residue 46 and name hn) 4.0 4.0 0.0 

assign (residue 45 and name ha#) (residue 46 and name hg#) 5.0 5.0 0.0 

assign (residue 45 and name hn) (residue 47 and name ha) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 47 and name hn) 5.0 5.0 0.0 

assign (residue 45 and name ha#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 45 and name ha#) (residue 77 and name hb#) 6.0 6.0 0.0 



! GLU 46:

assign (residue 46 and name hn) (residue 46 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 46 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 46 and name hg#) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name ha) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name hb#) (residue 47 and name hn) 4.0 4.0 0.0 

assign (residue 46 and name hg#) (residue 47 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name ha) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 48 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hn) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 46 and name ha) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 60 and name hb#) 4.0 4.0 0.0 

assign (residue 46 and name hg#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hg#) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 78 and name ha) 4.0 4.0 0.0 

assign (residue 46 and name hb#) (residue 78 and name ha) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hn) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name ha) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 46 and name hb#) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 46 and name hg#) (residue 79 and name hb#) 6.0 6.0 0.0 



! CYS 47:

assign (residue 47 and name hn) (residue 47 and name ha) 5.0 5.0 0.0 

assign (residue 47 and name hn) (residue 47 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name hn) (residue 48 and name hn) 4.0 4.0 0.0 

assign (residue 47 and name hn) (residue 48 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 48 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 48 and name hn) 4.0 4.0 0.0 

assign (residue 47 and name hb#) (residue 48 and name hn) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 48 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 54 and name he#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 47 and name ha) (residue 72 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 47 and name ha) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 47 and name hb#) (residue 77 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 78 and name ha) 4.0 4.0 0.0 

assign (residue 47 and name hn) (residue 78 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 78 and name ha) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 47 and name hn) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 47 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 



! CYS 48:

assign (residue 48 and name hn) (residue 48 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 48 and name hb#) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 49 and name hn) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 49 and name hn) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 49 and name hb#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 49 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 50 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 53 and name ha) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 53 and name hd#) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 53 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hn) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name hd#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 54 and name he#) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 48 and name ha) (residue 54 and name ha) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 48 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 48 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name ha) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 48 and name hb#) (residue 77 and name ha) 5.0 5.0 0.0 



! ASP 49:

assign (residue 49 and name hn) (residue 49 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 49 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 50 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 50 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 50 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 50 and name hn) 3.0 3.0 0.0 

assign (residue 49 and name ha) (residue 50 and name ha) 4.5 4.5 0.0 

assign (residue 49 and name ha) (residue 50 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name ha) (residue 50 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name hb#) (residue 50 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 50 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name ha) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hn) 4.0 4.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 52 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 53 and name hn) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 53 and name hd#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 54 and name ha) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 49 and name hn) (residue 54 and name hd#) 6.0 6.0 0.0 

assign (residue 49 and name hn) (residue 54 and name he#) 6.0 6.0 0.0 

assign (residue 49 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hg#) 4.0 4.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 49 and name hb#) (residue 54 and name he#) 4.0 4.0 0.0 

assign (residue 49 and name hb#) (residue 55 and name hn) 6.0 6.0 0.0 



! GLN 50:

assign (residue 50 and name hn) (residue 50 and name ha) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 50 and name hb#) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 50 and name hg#) 5.0 5.0 0.0 

assign (residue 50 and name hn) (residue 51 and name hn) 4.0 4.0 0.0 

assign (residue 50 and name hn) (residue 51 and name ha) 6.0 6.0 0.0 

assign (residue 50 and name ha) (residue 51 and name hn) 4.0 4.0 0.0 

assign (residue 50 and name hb#) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 50 and name hg#) (residue 51 and name hn) 6.0 6.0 0.0 

assign (residue 50 and name hn) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 50 and name ha) (residue 52 and name hn) 5.5 5.5 0.0 

assign (residue 50 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 50 and name hn) (residue 54 and name he#) 6.0 6.0 0.0 



! CYS 51:

assign (residue 51 and name ha) (residue 51 and name hn) 5.0 5.0 0.0 

assign (residue 51 and name hn) (residue 51 and name hb#) 5.0 5.0 0.0 

assign (residue 51 and name hn) (residue 52 and name hn) 4.0 4.0 0.0 

assign (residue 51 and name hn) (residue 52 and name hb#) 6.0 6.0 0.0 

assign (residue 51 and name ha) (residue 52 and name hn) 5.0 5.0 0.0 

assign (residue 51 and name hb#) (residue 52 and name hn) 6.0 6.0 0.0 

assign (residue 51 and name hb#) (residue 52 and name hg#) 6.0 6.0 0.0 



! ARG 52:

assign (residue 52 and name hn) (residue 52 and name ha) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hb#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hg#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 52 and name hd#) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hn) 3.0 3.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 52 and name ha) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 52 and name ha) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 52 and name hb#) (residue 53 and name hn) 4.0 4.0 0.0 

assign (residue 52 and name hb#) (residue 53 and name hb#) 6.0 6.0 0.0 

assign (residue 52 and name hg#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name hd#) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name he) (residue 53 and name hn) 5.0 5.0 0.0 

assign (residue 52 and name hn) (residue 54 and name hg#) 6.0 6.0 0.0 



! PHE 53:

assign (residue 53 and name hn) (residue 53 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name hd#) 5.0 5.0 0.0 

assign (residue 53 and name hn) (residue 53 and name he#) 6.0 6.0 0.0 

assign (residue 53 and name hn) (residue 54 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hn) 3.0 3.0 0.0 

assign (residue 53 and name ha) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hb#) 6.0 6.0 0.0 

assign (residue 53 and name ha) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 54 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 54 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 54 and name hn) 5.5 5.5 0.0 

assign (residue 53 and name ha) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 56 and name ha) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 56 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 56 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 75 and name hd#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 75 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 53 and name hn) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name ha) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 76 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name ha) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name hn) 5.0 5.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name hd#) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name he#) (residue 77 and name hn) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 77 and name ha) 4.0 4.0 0.0 

assign (residue 53 and name he#) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 53 and name hb#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name hd#) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 53 and name he#) (residue 78 and name hn) 5.0 5.0 0.0 



! LYS 54:

assign (residue 54 and name hn) (residue 54 and name ha) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hg#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 54 and name hd#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 55 and name hn) 5.0 5.0 0.0 

assign (residue 54 and name ha) (residue 55 and name hn) 2.2 2.2 0.0 

assign (residue 54 and name ha) (residue 55 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 55 and name hn) 4.0 4.0 0.0 

assign (residue 54 and name hg#) (residue 55 and name hn) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name he#) (residue 55 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hn) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 54 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hb#) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 54 and name hg#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 54 and name hd#) (residue 58 and name hg2#) 4.0 4.0 0.0 

assign (residue 54 and name he#) (residue 58 and name hg2#) 4.0 4.0 0.0 

assign (residue 54 and name hz#) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 54 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 54 and name hb#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 54 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 



! LYS 55:

assign (residue 55 and name hn) (residue 55 and name ha) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hb#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hg#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name hd#) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 55 and name he#) 6.0 6.0 0.0 

assign (residue 55 and name hn) (residue 56 and name hn) 4.5 4.5 0.0 

assign (residue 55 and name hn) (residue 56 and name hb#) 6.0 6.0 0.0 

assign (residue 55 and name ha) (residue 56 and name hn) 2.2 2.2 0.0 

assign (residue 55 and name ha) (residue 56 and name hb#) 4.0 4.0 0.0 

assign (residue 55 and name hb#) (residue 56 and name hn) 4.0 4.0 0.0 

assign (residue 55 and name hg#) (residue 56 and name hn) 4.0 4.0 0.0 

assign (residue 55 and name he#) (residue 56 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name he#) (residue 56 and name hb#) 6.0 6.0 0.0 

assign (residue 55 and name hn) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 55 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 58 and name hn) 6.0 6.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hb) 6.0 6.0 0.0 

assign (residue 55 and name hb#) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 55 and name hg#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 55 and name ha) (residue 74 and name ha#) 4.0 4.0 0.0 



! ALA 56:

assign (residue 56 and name hn) (residue 56 and name ha) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 56 and name hb#) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 57 and name hn) 4.5 4.5 0.0 

assign (residue 56 and name hn) (residue 57 and name ha#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 57 and name hn) 2.5 2.5 0.0 

assign (residue 56 and name ha) (residue 57 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 57 and name hn) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 57 and name ha#) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 56 and name hb#) (residue 58 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 72 and name hb#) 6.0 6.0 0.0 

assign (residue 56 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 56 and name ha) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 73 and name ha) 4.0 4.0 0.0 

assign (residue 56 and name ha) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hn) (residue 74 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name ha) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 56 and name hb#) (residue 74 and name ha#) 4.0 4.0 0.0 

assign (residue 56 and name hn) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 75 and name he#) 6.0 6.0 0.0 

assign (residue 56 and name hn) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 56 and name hb#) (residue 76 and name hn) 6.0 6.0 0.0 



! GLY 57:

assign (residue 57 and name hn) (residue 57 and name ha#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 58 and name hn) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 58 and name hg2#) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 59 and name hn) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name hb#) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 57 and name ha#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 72 and name ha) 6.0 6.0 0.0  ! 800 

assign (residue 57 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 57 and name ha#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 57 and name hn) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 57 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 



! THR 58:

assign (residue 58 and name hn) (residue 58 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 58 and name hb) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 58 and name hg2#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 59 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 58 and name ha) (residue 59 and name hn) 2.2 2.2 0.0 

assign (residue 58 and name ha) (residue 59 and name hb) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 59 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 59 and name hg#) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name hn) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 60 and name hb#) 6.0 6.0 0.0 

assign (residue 58 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 58 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hn) (residue 72 and name ha) 6.0 6.0 0.0 

assign (residue 58 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name ha) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 58 and name hb) (residue 72 and name ha) 5.0 5.0 0.0 

assign (residue 58 and name hb) (residue 72 and name hb#) 4.0 4.0 0.0 

assign (residue 58 and name hg2#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 58 and name hg2#) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 58 and name hn) (residue 73 and name hn) 6.0 6.0 0.0 

assign (residue 58 and name hb) (residue 73 and name hn) 6.0 6.0 0.0 



! VAL 59:

assign (residue 59 and name hn) (residue 59 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 59 and name hb) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 59 and name hg#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 60 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 60 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 60 and name hn) 3.0 3.0 0.0 

assign (residue 59 and name ha) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name ha) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 60 and name hn) 4.5 4.5 0.0 

assign (residue 59 and name hg#) (residue 60 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 61 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 61 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 61 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 61 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hb) (residue 62 and name hg2#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hg1#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 62 and name hd#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 63 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 69 and name hb#) 4.0 4.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name hn) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 71 and name hb#) 6.0 6.0 0.0 

assign (residue 59 and name hn) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name hn) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 59 and name ha) (residue 71 and name ha) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name hb#) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 71 and name he#) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 71 and name hd#) 4.0 4.0 0.0 

assign (residue 59 and name hb) (residue 71 and name he#) 4.0 4.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 59 and name hg#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 59 and name hn) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name ha) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 59 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 59 and name hb) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 59 and name hg#) (residue 72 and name hn) 5.0 5.0 0.0 



! CYS 60:

assign (residue 60 and name hn) (residue 60 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 60 and name hb#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name hn) (residue 61 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 61 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name ha) (residue 61 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name ha) (residue 61 and name ha) 6.0 6.0 0.0 

assign (residue 60 and name ha) (residue 61 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 61 and name hn) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 70 and name hn) 5.5 5.5 0.0 

assign (residue 60 and name hn) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 71 and name ha) 4.0 4.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 60 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 71 and name ha) 6.0 6.0 0.0 

assign (residue 60 and name hn) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 60 and name ha) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 60 and name ha) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 60 and name hb#) (residue 79 and name hb#) 5.0 5.0 0.0 



! ARG 61:

assign (residue 61 and name hn) (residue 61 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 61 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 61 and name hg#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 62 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hn) 3.5 3.5 0.0 

assign (residue 61 and name ha) (residue 62 and name hg1#) 6.0 6.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hg2#) 6.0 6.0 0.0 

assign (residue 61 and name ha) (residue 62 and name hd#) 6.0 6.0 0.0 

assign (residue 61 and name hb#)(residue 62 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hg#) (residue 62 and name hn) 4.0 4.0 0.0 

assign (residue 61 and name he) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 62 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hn) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hn) (residue 70 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 70 and name hb#) 4.5 4.5 0.0 

assign (residue 61 and name hg#) (residue 70 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 70 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name hn) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 79 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 80 and name ha) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 80 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hb#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hg#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name he3) 5.0 5.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hz2) 6.0 6.0 0.0 

assign (residue 61 and name hd#) (residue 81 and name hz3) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 81 and name hz2) 5.0 5.0 0.0 

assign (residue 61 and name he) (residue 81 and name hz3) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hn) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name ha) 4.0 4.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hd1) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name he1) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name he3) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hh2) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hz2) 5.0 5.0 0.0 

assign (residue 61 and name hh#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 61 and name he) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 61 and name hh#) (residue 82 and name hn) 6.0 6.0 0.0 



! ILE 62:

assign (residue 62 and name hn) (residue 62 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hb) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hg1#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hg2#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 62 and name hd#) 5.0 5.0 0.0 

assign (residue 62 and name hn) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hn) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 63 and name hn) 3.5 3.5 0.0 

assign (residue 62 and name ha) (residue 63 and name hb#) 4.0 4.0 0.0 

assign (residue 62 and name hb) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hg1#) (residue 63 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name hn) 4.0 4.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 63 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 63 and name hb#) 6.0 6.0 0.0  191212

assign (residue 62 and name hg1#) (residue 64 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hn) 5.0 5.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 64 and name hd#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 64 and name hd#) 6.0 6.0 0.0 

assign (residue 62 and name hg1#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 65 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 67 and name hn) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 62 and name ha) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 62 and name ha) (residue 69 and name hb#) 5.0 5.0 0.0 

assign (residue 62 and name hd#) (residue 69 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hg2#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name ha) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 62 and name hd#) (residue 81 and name he3) 6.0 6.0 0.0 



! ALA 63:

assign (residue 63 and name hn) (residue 63 and name ha) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 63 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 64 and name hn) 4.0 4.0 0.0 

assign (residue 63 and name ha) (residue 64 and name hn) 3.5 3.5 0.0 

assign (residue 63 and name hb#) (residue 64 and name hn) 4.0 4.0 0.0 

assign (residue 63 and name hb#) (residue 64 and name hd#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 65 and name ha#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name ha) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 63 and name ha) (residue 67 and name he1) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hd1) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name he1) 5.5 5.5 0.0 

assign (residue 63 and name hb#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hn) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hn) (residue 68 and name hd2#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hb#) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 68 and name hd2#) 5.0 5.0 0.0 

assign (residue 63 and name hn) (residue 69 and name ha) 4.0 4.0 0.0 

assign (residue 63 and name hn) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name hn) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 63 and name hb#) (residue 69 and name hb#) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 81 and name he3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 81 and name hz3) 6.0 6.0 0.0 

assign (residue 63 and name hb#) (residue 83 and name hd2) 6.0 6.0 0.0 



! ARG 64:

assign (residue 64 and name hn) (residue 64 and name ha) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hb#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hg#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 64 and name hd#) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 65 and name hn) 4.0 4.0 0.0 

assign (residue 64 and name hn) (residue 65 and name ha#) 6.0 6.0 0.0 

assign (residue 64 and name ha) (residue 65 and name hn) 3.5 3.5 0.0 

assign (residue 64 and name ha) (residue 65 and name ha#) 5.0 5.0 0.0 

assign (residue 64 and name hb#) (residue 65 and name hn) 4.0 4.0 0.0 

assign (residue 64 and name hg#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 64 and name hd#) (residue 65 and name hn) 5.0 5.0 0.0 

assign (residue 64 and name ha) (residue 66 and name hn) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hb#) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 67 and name he1) 5.0 5.0 0.0 

assign (residue 64 and name hn) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name ha) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 64 and name hb#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hg#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 64 and name hg#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hd#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 64 and name hn) (residue 68 and name hd2#) 6.0 6.0 0.0 



! GLY 65:

assign (residue 65 and name hn) (residue 65 and name ha#) 5.0 5.0 0.0 

assign (residue 65 and name hn) (residue 66 and name hn) 4.0 4.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name ha) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name hb#) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 66 and name hn) 3.0 3.0 0.0 

assign (residue 65 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hz2) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hz3) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 67 and name hh2) 6.0 6.0 0.0 

assign (residue 65 and name ha#) (residue 68 and name hd2#) 6.0 6.0 0.0 



! ASP 66:

assign (residue 66 and name hn) (residue 66 and name ha) 5.0 5.0 0.0 

assign (residue 66 and name hn) (residue 66 and name hb#) 5.0 5.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hn) 4.0 4.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hb#) 6.0 6.0 0.0 

assign (residue 66 and name hn) (residue 67 and name hd1) 5.5 5.5 0.0 

assign (residue 66 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 66 and name hn) (residue 67 and name he3) 5.0 5.0 0.0 

assign (residue 66 and name ha) (residue 67 and name hn) 3.5 3.5 0.0 

assign (residue 66 and name ha) (residue 67 and name hd1) 5.5 5.5 0.0 

assign (residue 66 and name hb#) (residue 67 and name hn) 5.0 5.0 0.0 

assign (residue 66 and name hb#) (residue 67 and name hd1) 6.0 6.0 0.0 

assign (residue 66 and name hb#) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 66 and name ha) (residue 68 and name hn) 6.0 6.0 0.0 

assign (residue 66 and name hb#) (residue 68 and name hn) 6.0 6.0 0.0 



! TRP 67:

assign (residue 67 and name hn) (residue 67 and name ha) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name hb#) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name hd1) 5.0 5.0 0.0 

assign (residue 67 and name hn) (residue 67 and name he3) 6.0 6.0 0.0 

assign (residue 67 and name hn) (residue 67 and name he1) 6.0 6.0 0.0 

assign (residue 67 and name hn) (residue 68 and name hn) 4.0 4.0 0.0 

assign (residue 67 and name hn) (residue 68 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name ha) (residue 68 and name hn) 3.5 3.5 0.0 

assign (residue 67 and name hb#) (residue 68 and name hn) 4.0 4.0 0.0 

assign (residue 67 and name hd1) (residue 68 and name hn) 5.0 5.0 0.0 

assign (residue 67 and name hd1) (residue 68 and name hb#) 5.5 5.5 0.0 

assign (residue 67 and name he1) (residue 68 and name hd2#) 5.5 5.5 0.0 

assign (residue 67 and name he3) (residue 68 and name hn) 5.5 5.5 0.0 

assign (residue 67 and name hd1) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name he1) (residue 70 and name hb#) 6.0 6.0 0.0 

assign (residue 67 and name hb#) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 67 and name hd1) (residue 83 and name ha) 6.0 6.0 0.0 

assign (residue 67 and name hd1) (residue 83 and name hb#) 6.0 6.0 0.0 



! ASN 68:

assign (residue 68 and name hn) (residue 68 and name ha) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 68 and name hb#) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 68 and name hd2#) 5.0 5.0 0.0 

assign (residue 68 and name hn) (residue 69 and name hn) 4.0 4.0 0.0 

assign (residue 68 and name ha) (residue 69 and name hn) 4.0 4.0 0.0 

assign (residue 68 and name hb#) (residue 69 and name hn) 5.0 5.0 0.0 

assign (residue 68 and name ha) (residue 70 and name hn) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 68 and name hn) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 68 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 68 and name hb#) (residue 83 and name he1) 6.0 6.0 0.0 

assign (residue 68 and name hd2#) (residue 83 and name hn) 6.0 6.0 0.0 



! ASP 69:

assign (residue 69 and name hn) (residue 69 and name ha) 5.0 5.0 0.0 

assign (residue 69 and name hn) (residue 69 and name hb#) 5.0 5.0 0.0 

assign (residue 69 and name ha) (residue 70 and name hn) 4.0 4.0 0.0 

assign (residue 69 and name ha) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 69 and name hb#) (residue 70 and name hn) 4.0 4.0 0.0 

assign (residue 69 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 69 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 69 and name ha) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 69 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 69 and name hb#) (residue 71 and name he#) 5.0 5.0 0.0 

assign (residue 69 and name hn) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 69 and name hb#) (residue 82 and name hn) 6.0 6.0 0.0 



! ASP 70:

assign (residue 70 and name hn) (residue 70 and name ha) 5.0 5.0 0.0 

assign (residue 70 and name hn) (residue 70 and name hb#) 5.0 5.0 0.0 

assign (residue 70 and name hn) (residue 71 and name hn) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hn) 3.0 3.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 71 and name he#) 5.5 5.5 0.0 

assign (residue 70 and name hb#) (residue 71 and name hn) 5.0 5.0 0.0 

assign (residue 70 and name hb#) (residue 71 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name ha) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 70 and name ha) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name hb#) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 70 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 



! TYR 71:

assign (residue 71 and name hn) (residue 71 and name ha) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name hd#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 71 and name he#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 72 and name hn) 4.5 4.5 0.0 

assign (residue 71 and name ha) (residue 72 and name hn) 3.0 3.0 0.0 

assign (residue 71 and name ha) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hb#) (residue 72 and name hn) 4.0 4.0 0.0 

assign (residue 71 and name hd#) (residue 72 and name hn) 5.0 5.0 0.0 

assign (residue 71 and name he#) (residue 72 and name hn) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hb#) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 71 and name hb#) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hd#) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hb#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hg#) 5.0 5.0 0.0 

assign (residue 71 and name hn) (residue 80 and name hd#) 5.0 5.0 0.0 

assign (residue 71 and name hd#) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 71 and name hn) (residue 82 and name hd2#) 6.0 6.0 0.0 



! CYS 72:

assign (residue 72 and name hn) (residue 72 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 72 and name hb#) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 73 and name ha) 6.0 6.0 0.0 

assign (residue 72 and name hn) (residue 73 and name hg2#) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 73 and name hn) 4.0 4.0 0.0 

assign (residue 72 and name ha) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name ha) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 72 and name hb#) (residue 73 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 74 and name hn) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name hb#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 72 and name ha) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 72 and name hn) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 72 and name hn) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 72 and name ha) (residue 80 and name hd#) 5.0 5.0 0.0 



! THR 73:

assign (residue 73 and name hn) (residue 73 and name ha) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 73 and name hb) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 73 and name hg2#) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 74 and name hn) 4.0 4.0 0.0 

assign (residue 73 and name hn) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 73 and name ha) (residue 74 and name hn) 4.0 4.0 0.0 

assign (residue 73 and name hb) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 74 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name ha) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hn) 6.0 6.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name hd#) 5.0 5.0 0.0 

assign (residue 73 and name hb) (residue 75 and name he#) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name he#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 75 and name hz#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 73 and name hg2#) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 79 and name hn) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hb#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hg#) 6.0 6.0 0.0 

assign (residue 73 and name hn) (residue 80 and name hd#) 6.0 6.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hb#) 4.0 4.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hg#) 4.0 4.0 0.0 

assign (residue 73 and name hg2#) (residue 80 and name hd#) 5.0 5.0 0.0 



! GLY 74:

assign (residue 74 and name hn) (residue 74 and name ha#) 5.0 5.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name ha#) (residue 75 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hb#) 6.0 6.0 0.0 

assign (residue 74 and name hn) (residue 75 and name hg#) 6.0 6.0 0.0 

assign (residue 74 and name hn) (residue 76 and name hn) 4.0 4.0 0.0 

assign (residue 74 and name ha#) (residue 76 and name hn) 5.0 5.0 0.0 



! LYS 75:

assign (residue 75 and name hn) (residue 75 and name ha) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hb#) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hg#) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 75 and name hd#) 6.0 6.0 0.0 

assign (residue 75 and name hn) (residue 76 and name hn) 3.0 3.0 0.0 

assign (residue 75 and name hn) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 75 and name hn) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 75 and name ha) (residue 76 and name hn) 4.0 4.0 0.0 

assign (residue 75 and name hb#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 75 and name hb#) (residue 76 and name hb#) 6.0 6.0 0.0 

assign (residue 75 and name hg#) (residue 76 and name hn) 5.0 5.0 0.0 

assign (residue 75 and name hg#) (residue 76 and name hb#) 6.0 6.0 0.0 

!assign (residue 75 and name hd#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 75 and name hz#) (residue 76 and name hn) 6.0 6.0 0.0 

assign (residue 75 and name hn) (residue 77 and name hn) 6.0 6.0 0.0 



! SER 76:

assign (residue 76 and name hn) (residue 76 and name ha) 5.0 5.0 0.0 

assign (residue 76 and name hn) (residue 76 and name hb#) 5.0 5.0 0.0 

assign (residue 76 and name hn) (residue 77 and name hn) 5.0 5.0 0.0 

assign (residue 76 and name ha) (residue 77 and name hn) 3.0 3.0 0.0 

assign (residue 76 and name ha) (residue 77 and name hb#) 6.0 6.0 0.0 

assign (residue 76 and name hb#) (residue 77 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hn) (residue 78 and name hn) 6.0 6.0 0.0 

assign (residue 76 and name ha) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hb#) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 76 and name hb#) (residue 78 and name hb#) 6.0 6.0 0.0 



! SER 77:

assign (residue 77 and name hn) (residue 77 and name ha) 5.0 5.0 0.0 

assign (residue 77 and name hn) (residue 77 and name hb#) 5.0 5.0 0.0 

assign (residue 77 and name hn) (residue 78 and name hn) 3.0 3.0 0.0 

assign (residue 77 and name hn) (residue 78 and name hb#) 5.0 5.0 0.0 

assign (residue 77 and name ha) (residue 78 and name hn) 4.0 4.0 0.0 

assign (residue 77 and name hb#) (residue 78 and name hn) 5.0 5.0 0.0 



! ASP 78:

assign (residue 78 and name hn) (residue 78 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 78 and name hb#) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 79 and name hn) 5.0 5.0 0.0 

assign (residue 78 and name hn) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 78 and name ha) (residue 79 and name hn) 3.0 3.0 0.0 

assign (residue 78 and name ha) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name ha) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 78 and name hb#) (residue 79 and name hn) 4.0 4.0 0.0 

assign (residue 78 and name hb#) (residue 79 and name ha) 6.0 6.0 0.0 

assign (residue 78 and name hb#) (residue 80 and name ha) 5.0 5.0 0.0 

assign (residue 78 and name hb#) (residue 80 and name hd#) 6.0 6.0 0.0 



! CYS 79:

assign (residue 79 and name hn) (residue 79 and name ha) 5.0 5.0 0.0 

assign (residue 79 and name hn) (residue 79 and name hb#) 5.0 5.0 0.0 

assign (residue 79 and name hn) (residue 80 and name hd#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name ha) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hb#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hg#) 5.0 5.0 0.0 

assign (residue 79 and name ha) (residue 80 and name hd#) 4.0 4.0 0.0 

assign (residue 79 and name hb#) (residue 80 and name hd#) 5.0 5.0 0.0 



! PRO 80:

assign (residue 80 and name ha) (residue 81 and name hn) 3.5 3.5 0.0 

assign (residue 80 and name ha) (residue 81 and name hb#) 5.0 5.0 0.0 

assign (residue 80 and name ha) (residue 81 and name hd1) 4.5 4.5 0.0 

assign (residue 80 and name ha) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hn) 4.0 4.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hb#) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 80 and name hb#) (residue 81 and name he1) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hg#) (residue 81 and name hd1) 6.0 6.0 0.0 

assign (residue 80 and name hd#) (residue 81 and name hn) 6.0 6.0 0.0 

assign (residue 80 and name ha) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hb#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hb#) (residue 82 and name hd2#) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 80 and name hd#) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 80 and name hg#) (residue 82 and name hd2#) 5.0 5.0 0.0 



! TRP 81:

assign (residue 81 and name hn) (residue 81 and name ha) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name hb#) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name hd1) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 81 and name he1) 5.0 5.0 0.0 

assign (residue 81 and name hn) (residue 82 and name hn) 4.0 4.0 0.0 

assign (residue 81 and name ha) (residue 82 and name hn) 3.5 3.5 0.0 

assign (residue 81 and name ha) (residue 82 and name hb#) 6.0 6.0 0.0 

assign (residue 81 and name hb#) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 81 and name hd1) (residue 82 and name hn) 5.0 5.0 0.0 

assign (residue 81 and name hd1) (residue 82 and name ha) 6.0 6.0 0.0 

assign (residue 81 and name he1) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name he3) (residue 82 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name hb#) (residue 83 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name hd1) (residue 83 and name hn) 6.0 6.0 0.0 

assign (residue 81 and name he3) (residue 83 and name he1) 6.0 6.0 0.0 

assign (residue 81 and name hz2) (residue 83 and name hb#) 6.0 6.0 0.0 ! 290612



! ASN 82:

assign (residue 82 and name hn) (residue 82 and name ha) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 82 and name hb#) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 82 and name hd2#) 5.0 5.0 0.0 

assign (residue 82 and name hn) (residue 83 and name hn) 4.0 4.0 0.0 

assign (residue 82 and name hn) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 82 and name ha) (residue 83 and name hn) 4.0 4.0 0.0 

assign (residue 82 and name ha) (residue 83 and name hd2) 6.0 6.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name hn) 5.0 5.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name hd2) 5.0 5.0 0.0 

assign (residue 82 and name hb#) (residue 83 and name he1) 6.0 6.0 0.0 



! HIS 83:

assign (residue 83 and name hn) (residue 83 and name ha) 5.0 5.0 0.0 

assign (residue 83 and name hn) (residue 83 and name hb#) 5.0 5.0 0.0 

assign (residue 83 and name hn) (residue 83 and name hd2) 5.0 5.0 0.0 









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