NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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2380 |
1buq   |
4230 | cing | 1-original | 1 | XPLOR/CNS | distance | general distance | simple |
!These restraints are catagorized by secondary structures, starting with B-strand 1 ! 2.1A added for aromatic. 1A for CH3 !......................................................................! ! KSI MONOMER 1 ! !......................................................................! ! Strand 1 thru Strand 2 (A34-G47) !Ala34 assign (segid A and resid 34 and name ha ) (segid A and resid 34 and name hn ) 1.8 0 2.5 assign (segid A and resid 34 and name hb* ) (segid A and resid 34 and name hn ) 1.8 0 2.0 assign (segid A and resid 34 and name hb* ) (segid A and resid 34 and name ha ) 1.8 0 2.0 assign (segid A and resid 33 and name hn ) (segid A and resid 34 and name hn ) 1.8 0 1.0 assign (segid A and resid 33 and name ha ) (segid A and resid 34 and name hn ) 1.8 0 1.5 assign (segid A and resid 33 and name hb2 ) (segid A and resid 34 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name ha ) (segid A and resid 34 and name hn ) 1.8 0 3.2 assign (segid A and resid 31 and name ha ) (segid A and resid 34 and name hn ) 1.8 0 3.2 assign (segid A and resid 31 and name hb* ) (segid A and resid 34 and name hn ) 1.8 0 2.5 !Thr35 assign (segid A and resid 35 and name ha ) (segid A and resid 35 and name hn ) 1.8 0 3.2 assign (segid A and resid 35 and name hb ) (segid A and resid 35 and name hn ) 1.8 0 3.2 assign (segid A and resid 35 and name hg2*) (segid A and resid 35 and name hn ) 1.8 0 2.5 assign (segid A and resid 35 and name ha ) (segid A and resid 35 and name hb ) 1.8 0 1.0 assign (segid A and resid 35 and name ha ) (segid A and resid 35 and name hg2*) 1.8 0 2.0 assign (segid A and resid 34 and name ha ) (segid A and resid 35 and name hn ) 1.8 0 1.0 assign (segid A and resid 34 and name hb* ) (segid A and resid 35 and name hn ) 1.8 0 2.0 assign (segid A and resid 34 and name hb* ) (segid A and resid 35 and name ha ) 1.8 0 4.2 assign (segid A and resid 34 and name hn ) (segid A and resid 35 and name hn ) 1.8 0 3.2 !Val36 assign (segid A and resid 36 and name ha ) (segid A and resid 36 and name hn ) 1.8 0 3.2 assign (segid A and resid 36 and name hb ) (segid A and resid 36 and name hn ) 1.8 0 1.5 assign (segid A and resid 36 and name hg2*) (segid A and resid 36 and name hn ) 1.8 0 2.5 assign (segid A and resid 36 and name hg1*) (segid A and resid 36 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name hg2*) (segid A and resid 36 and name ha ) 1.8 0 4.2 assign (segid A and resid 36 and name hg1*) (segid A and resid 36 and name ha ) 1.8 0 2.5 assign (segid A and resid 36 and name hb ) (segid A and resid 36 and name ha ) 1.8 0 3.2 assign (segid A and resid 35 and name ha ) (segid A and resid 36 and name hn ) 1.8 0 1.0 assign (segid A and resid 35 and name hg2*) (segid A and resid 36 and name hn ) 1.8 0 2.5 assign (segid A and resid 35 and name hb ) (segid A and resid 36 and name hn ) 1.8 0 1.5 !Glu37 assign (segid A and resid 37 and name ha ) (segid A and resid 37 and name hn ) 1.8 0 3.2 assign (segid A and resid 37 and name hb* ) (segid A and resid 37 and name hn ) 1.8 0 2.5 assign (segid A and resid 37 and name hg* ) (segid A and resid 37 and name hn ) 1.8 0 2.5 assign (segid A and resid 37 and name hb* ) (segid A and resid 37 and name ha ) 1.8 0 3.0 assign (segid A and resid 37 and name hg* ) (segid A and resid 37 and name ha ) 1.8 0 3.7 assign (segid A and resid 36 and name ha ) (segid A and resid 37 and name hn ) 1.8 0 1.0 assign (segid A and resid 36 and name hg1*) (segid A and resid 37 and name hn ) 1.8 0 2.5 assign (segid A and resid 36 and name hg2*) (segid A and resid 37 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name hb ) (segid A and resid 37 and name hn ) 1.8 0 3.2 assign (segid A and resid 35 and name hg2*) (segid A and resid 37 and name hg* ) 1.8 0 4.7 !Asp38 assign (segid A and resid 38 and name ha ) (segid A and resid 38 and name hn ) 1.8 0 3.2 assign (segid A and resid 38 and name hb2 ) (segid A and resid 38 and name hn ) 1.8 0 1.5 assign (segid A and resid 38 and name hb1 ) (segid A and resid 38 and name hn ) 1.8 0 3.2 assign (segid A and resid 38 and name hb1 ) (segid A and resid 38 and name ha ) 1.8 0 1.5 assign (segid A and resid 38 and name hb2 ) (segid A and resid 38 and name ha ) 1.8 0 3.2 assign (segid A and resid 37 and name ha ) (segid A and resid 38 and name hn ) 1.8 0 1.0 assign (segid A and resid 37 and name hb* ) (segid A and resid 38 and name hn ) 1.8 0 3.0 assign (segid A and resid 37 and name hg* ) (segid A and resid 38 and name hn ) 1.8 0 4.7 assign (segid A and resid 37 and name hn ) (segid A and resid 38 and name hn ) 1.8 0 3.2 assign (segid A and resid 37 and name hn ) (segid A and resid 38 and name hb1 ) 1.8 0 3.2 assign (segid A and resid 36 and name hg1*) (segid A and resid 38 and name hn ) 1.8 0 4.2 !Pro39 (CIS-Conformation) assign (segid A and resid 39 and name hb* ) (segid A and resid 39 and name ha ) 1.8 0 1.5 assign (segid A and resid 39 and name hd* ) (segid A and resid 39 and name ha ) 1.8 0 3.7 assign (segid A and resid 38 and name ha ) (segid A and resid 39 and name ha ) 2.2 0 0.6 !Val40 assign (segid A and resid 40 and name ha ) (segid A and resid 40 and name hn ) 1.8 0 3.2 assign (segid A and resid 40 and name hb ) (segid A and resid 40 and name hn ) 1.8 0 3.2 assign (segid A and resid 40 and name hg1*) (segid A and resid 40 and name hn ) 1.8 0 2.5 assign (segid A and resid 40 and name hg2*) (segid A and resid 40 and name hn ) 1.8 0 2.5 assign (segid A and resid 40 and name hb ) (segid A and resid 40 and name ha ) 1.8 0 3.2 assign (segid A and resid 40 and name hg2*) (segid A and resid 40 and name ha ) 1.8 0 2.0 assign (segid A and resid 40 and name hg1*) (segid A and resid 40 and name ha ) 1.8 0 2.5 assign (segid A and resid 39 and name ha ) (segid A and resid 40 and name hn ) 1.8 0 3.2 assign (segid A and resid 39 and name hb* ) (segid A and resid 40 and name hn ) 1.8 0 3.7 assign (segid A and resid 39 and name ha ) (segid A and resid 40 and name hg2*) 1.8 0 4.2 !Gly41 assign (segid A and resid 41 and name ha1 ) (segid A and resid 41 and name hn ) 1.8 0 1.5 assign (segid A and resid 41 and name ha2 ) (segid A and resid 41 and name hn ) 1.8 0 1.0 assign (segid A and resid 40 and name hn ) (segid A and resid 41 and name hn ) 1.8 0 3.2 assign (segid A and resid 40 and name ha ) (segid A and resid 41 and name hn ) 1.8 0 1.0 assign (segid A and resid 40 and name hb ) (segid A and resid 41 and name hn ) 1.8 0 3.2 !Ser42 assign (segid A and resid 42 and name ha ) (segid A and resid 42 and name hn ) 1.8 0 3.2 assign (segid A and resid 42 and name hb1 ) (segid A and resid 42 and name hn ) 1.8 0 3.2 assign (segid A and resid 42 and name hb2 ) (segid A and resid 42 and name hn ) 1.8 0 1.5 assign (segid A and resid 42 and name hb1 ) (segid A and resid 42 and name ha ) 1.8 0 1.0 assign (segid A and resid 42 and name hb2 ) (segid A and resid 42 and name ha ) 1.8 0 3.2 assign (segid A and resid 41 and name hn ) (segid A and resid 42 and name hn ) 1.8 0 1.0 assign (segid A and resid 41 and name ha2 ) (segid A and resid 42 and name hn ) 1.8 0 1.5 assign (segid A and resid 41 and name ha1 ) (segid A and resid 42 and name hn ) 1.8 0 3.2 !Glu43 assign (segid A and resid 43 and name ha ) (segid A and resid 43 and name hn ) 1.8 0 3.2 assign (segid A and resid 43 and name hg* ) (segid A and resid 43 and name hn ) 1.8 0 4.7 assign (segid A and resid 43 and name hb* ) (segid A and resid 43 and name hn ) 1.8 0 2.5 assign (segid A and resid 43 and name hg* ) (segid A and resid 43 and name hn ) 1.8 0 1.5 assign (segid A and resid 43 and name hb* ) (segid A and resid 43 and name hn ) 1.8 0 3.7 assign (segid A and resid 42 and name hn ) (segid A and resid 43 and name hn ) 1.8 0 3.2 assign (segid A and resid 42 and name hb2 ) (segid A and resid 43 and name hn ) 1.8 0 3.2 assign (segid A and resid 42 and name hb1 ) (segid A and resid 43 and name hn ) 1.8 0 3.2 assign (segid A and resid 42 and name ha ) (segid A and resid 43 and name hn ) 1.8 0 1.5 !Pro44 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hd1 ) 1.8 0 3.2 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hd2 ) 1.8 0 3.2 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hb1 ) 1.8 0 1.0 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hb2 ) 1.8 0 1.0 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hg1 ) 1.8 0 2.5 assign (segid A and resid 44 and name ha ) (segid A and resid 44 and name hg2 ) 1.8 0 2.5 assign (segid A and resid 43 and name ha ) (segid A and resid 44 and name hd1 ) 1.8 0 1.0 assign (segid A and resid 43 and name ha ) (segid A and resid 44 and name hd2 ) 1.8 0 1.0 !Arg45 assign (segid A and resid 45 and name ha ) (segid A and resid 45 and name hn ) 1.8 0 3.2 assign (segid A and resid 45 and name hg* ) (segid A and resid 45 and name ha ) 1.8 0 1.5 assign (segid A and resid 45 and name hb* ) (segid A and resid 45 and name ha ) 1.8 0 2.0 assign (segid A and resid 45 and name hb* ) (segid A and resid 45 and name hn ) 1.8 0 1.5 assign (segid A and resid 44 and name ha ) (segid A and resid 45 and name hn ) 1.8 0 1.0 assign (segid A and resid 44 and name hb* ) (segid A and resid 45 and name hn ) 1.8 0 2.5 assign (segid A and resid 44 and name hg2 ) (segid A and resid 45 and name hn ) 1.8 0 3.2 !Ser46 assign (segid A and resid 46 and name ha ) (segid A and resid 46 and name hn ) 1.8 0 3.2 assign (segid A and resid 46 and name hb1 ) (segid A and resid 46 and name hn ) 1.8 0 1.5 assign (segid A and resid 46 and name hb2 ) (segid A and resid 46 and name hn ) 1.8 0 1.5 assign (segid A and resid 46 and name hb1 ) (segid A and resid 46 and name ha ) 1.8 0 1.0 assign (segid A and resid 46 and name hb2 ) (segid A and resid 46 and name ha ) 1.8 0 1.0 assign (segid A and resid 35 and name hg2*) (segid A and resid 46 and name hb1 ) 1.8 0 2.0 assign (segid A and resid 35 and name hg2*) (segid A and resid 46 and name hb2 ) 1.8 0 2.5 assign (segid A and resid 45 and name hn ) (segid A and resid 46 and name hb1 ) 1.8 0 3.2 assign (segid A and resid 45 and name ha ) (segid A and resid 46 and name hn ) 1.8 0 1.0 assign (segid A and resid 45 and name hd* ) (segid A and resid 46 and name hn ) 1.8 0 3.7 !Gly47 assign (segid A and resid 47 and name ha1 ) (segid A and resid 47 and name hn ) 1.8 0 1.5 assign (segid A and resid 47 and name ha2 ) (segid A and resid 47 and name hn ) 1.8 0 1.5 assign (segid A and resid 46 and name hn ) (segid A and resid 47 and name hn ) 1.8 0 3.2 assign (segid A and resid 46 and name ha ) (segid A and resid 47 and name hn ) 1.8 0 1.0 assign (segid A and resid 46 and name hb1 ) (segid A and resid 47 and name hn ) 1.8 0 3.2 assign (segid A and resid 46 and name hb2 ) (segid A and resid 47 and name hn ) 1.8 0 3.2 !H-bonds between Strand-1--Strand-2 assign (segid A and resid 47 and name n ) (segid A and resid 34 and name o ) 2.5 0 3.5 assign (segid A and resid 47 and name hn ) (segid A and resid 34 and name o ) 1.5 0 2.5 assign (segid A and resid 36 and name n ) (segid A and resid 45 and name o ) 2.5 0 3.5 assign (segid A and resid 36 and name hn ) (segid A and resid 45 and name o ) 1.5 0 2.5 assign (segid A and resid 45 and name n ) (segid A and resid 36 and name o ) 2.5 0 3.5 assign (segid A and resid 45 and name hn ) (segid A and resid 36 and name o ) 1.5 0 2.5 !Strands 1 and 2 long range noes CHECK NOES WITH 2.5 INNER LIMIT assign (segid A and resid 47 and name hn ) (segid A and resid 34 and name hn ) 1.8 0 3.2 assign (segid A and resid 46 and name ha ) (segid A and resid 35 and name ha ) 1.8 0 1.0 assign (segid A and resid 46 and name hb1 ) (segid A and resid 35 and name ha ) 1.8 0 3.2 assign (segid A and resid 46 and name hb2 ) (segid A and resid 35 and name ha ) 1.8 0 3.2 assign (segid A and resid 45 and name hn ) (segid A and resid 36 and name hn ) 1.8 0 1.5 assign (segid A and resid 46 and name ha ) (segid A and resid 36 and name hn ) 1.8 0 3.2 assign (segid A and resid 45 and name hb* ) (segid A and resid 36 and name hn ) 1.8 0 4.2 assign (segid A and resid 44 and name ha ) (segid A and resid 37 and name ha ) 1.8 0 1.0 assign (segid A and resid 44 and name hb* ) (segid A and resid 37 and name ha ) 1.8 0 2.0 assign (segid A and resid 44 and name ha ) (segid A and resid 38 and name hn ) 1.8 0 1.0 assign (segid A and resid 44 and name hd1 ) (segid A and resid 38 and name hn ) 1.8 0 3.2 assign (segid A and resid 44 and name hd2 ) (segid A and resid 38 and name hn ) 1.8 0 3.2 assign (segid A and resid 38 and name hn ) (segid A and resid 45 and name hn ) 1.8 0 3.2 assign (segid A and resid 36 and name hg1*) (segid A and resid 45 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name hg2*) (segid A and resid 45 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name hb ) (segid A and resid 45 and name hn ) 1.8 0 3.2 assign (segid A and resid 35 and name hb ) (segid A and resid 46 and name ha ) 1.8 0 3.2 assign (segid A and resid 35 and name hg2*) (segid A and resid 46 and name ha ) 1.8 0 2.5 assign (segid A and resid 35 and name hg2*) (segid A and resid 47 and name hn ) 1.8 0 4.2 !..................Strand 7 (S111-L115)......................... !Ser111 assign (segid A and resid 111 and name ha ) (segid A and resid 111 and name hn ) 1.8 0 1.5 assign (segid A and resid 111 and name hb1) (segid A and resid 111 and name hn ) 1.8 0 3.2 assign (segid A and resid 111 and name hb2) (segid A and resid 111 and name hn ) 1.8 0 3.2 assign (segid A and resid 111 and name hb1) (segid A and resid 111 and name ha ) 1.8 0 1.0 assign (segid A and resid 109 and name ha ) (segid A and resid 111 and name hn ) 1.8 0 3.2 assign (segid A and resid 110 and name hn ) (segid A and resid 111 and name hn ) 1.8 0 1.0 assign (segid A and resid 110 and name ha ) (segid A and resid 111 and name hn ) 1.8 0 3.2 assign (segid A and resid 110 and name hg1*) (segid A and resid 111 and name hn) 1.8 0 3.2 !Met112 assign (segid A and resid 112 and name ha ) (segid A and resid 112 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name hb1) (segid A and resid 112 and name hn ) 1.8 0 2.5 assign (segid A and resid 112 and name hb2) (segid A and resid 112 and name hn ) 1.8 0 2.5 assign (segid A and resid 112 and name hg1) (segid A and resid 112 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name hg2) (segid A and resid 112 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name hb1) (segid A and resid 112 and name ha ) 1.8 0 3.2 assign (segid A and resid 112 and name hb2) (segid A and resid 112 and name ha ) 1.8 0 3.2 assign (segid A and resid 112 and name hg1) (segid A and resid 112 and name ha ) 1.8 0 1.5 assign (segid A and resid 112 and name hg2) (segid A and resid 112 and name ha ) 1.8 0 1.5 assign (segid A and resid 111 and name hn ) (segid A and resid 112 and name hn ) 1.8 0 4.7 assign (segid A and resid 111 and name ha ) (segid A and resid 112 and name hn ) 1.8 0 1.0 assign (segid A and resid 111 and name hb2) (segid A and resid 112 and name hn ) 1.8 0 3.2 !Arg113 assign (segid A and resid 113 and name ha ) (segid A and resid 113 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name ha ) (segid A and resid 113 and name hn ) 1.8 0 1.0 assign (segid A and resid 112 and name hb2) (segid A and resid 113 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name hg1) (segid A and resid 113 and name hn ) 1.8 0 1.5 assign (segid A and resid 112 and name hg2) (segid A and resid 113 and name hn ) 1.8 0 1.0 !Ala114 assign (segid A and resid 114 and name ha ) (segid A and resid 114 and name hn ) 1.8 0 3.2 assign (segid A and resid 114 and name hb*) (segid A and resid 114 and name hn ) 1.8 0 2.0 assign (segid A and resid 114 and name hb*) (segid A and resid 114 and name ha ) 1.8 0 2.0 assign (segid A and resid 113 and name ha ) (segid A and resid 114 and name hn ) 1.8 0 1.0 !Leu115 assign (segid A and resid 115 and name ha ) (segid A and resid 115 and name hn ) 1.8 0 1.5 assign (segid A and resid 115 and name hb*) (segid A and resid 115 and name hn ) 1.8 0 1.5 assign (segid A and resid 115 and name hg ) (segid A and resid 115 and name hn ) 1.8 0 3.2 assign (segid A and resid 115 and name hd1*) (segid A and resid 115 and name hn) 1.8 0 4.2 assign (segid A and resid 115 and name hd2*) (segid A and resid 115 and name hn) 1.8 0 4.2 assign (segid A and resid 115 and name hb*) (segid A and resid 115 and name ha ) 1.8 0 3.2 assign (segid A and resid 115 and name hg ) (segid A and resid 115 and name ha ) 1.8 0 1.0 assign (segid A and resid 115 and name hd1*) (segid A and resid 115 and name ha) 1.8 0 2.0 assign (segid A and resid 115 and name hd2*) (segid A and resid 115 and name ha) 1.8 0 2.5 assign (segid A and resid 114 and name ha ) (segid A and resid 115 and name hn ) 1.8 0 1.0 assign (segid A and resid 114 and name hb*) (segid A and resid 115 and name hn ) 1.8 0 2.0 !Phe116 assign (segid A and resid 116 and name ha ) (segid A and resid 116 and name hn ) 1.8 0 3.2 assign (segid A and resid 116 and name hd*) (segid A and resid 116 and name hn ) 1.8 0 3.6 assign (segid A and resid 116 and name hb2) (segid A and resid 116 and name hn ) 1.8 0 3.2 assign (segid A and resid 116 and name hb1) (segid A and resid 116 and name ha ) 1.8 0 3.2 assign (segid A and resid 116 and name hb2) (segid A and resid 116 and name ha ) 1.8 0 3.2 assign (segid A and resid 116 and name hd*) (segid A and resid 116 and name ha ) 1.8 0 5.3 assign (segid A and resid 115 and name ha ) (segid A and resid 116 and name hn ) 1.8 0 1.0 assign (segid A and resid 115 and name hb*) (segid A and resid 116 and name hn ) 1.8 0 2.0 assign (segid A and resid 115 and name hg ) (segid A and resid 116 and name hn ) 1.8 0 1.0 assign (segid A and resid 115 and name hd2*) (segid A and resid 116 and name hn) 1.8 0 2.5 assign (segid A and resid 117 and name hn ) (segid A and resid 116 and name hn ) 1.8 0 3.2 !STRANDS 1 to 7 (H-BOND) assign (segid A and resid 114 and name n ) (segid A and resid 37 and name o ) 2.5 0 3.5 assign (segid A and resid 114 and name hn ) (segid A and resid 37 and name o ) 1.5 0 2.5 assign (segid A and resid 37 and name n ) (segid A and resid 112 and name o ) 2.5 0 3.5 assign (segid A and resid 37 and name hn ) (segid A and resid 112 and name o ) 1.5 0 2.5 assign (segid A and resid 112 and name n ) (segid A and resid 35 and name o ) 2.5 0 3.5 assign (segid A and resid 112 and name hn ) (segid A and resid 35 and name o ) 1.5 0 2.5 !STRANDS 1 and 7 LONG RANGE NOES assign (segid A and resid 34 and name ha ) (segid A and resid 110 and name ha ) 1.8 0 1.5 assign (segid A and resid 34 and name hb* ) (segid A and resid 110 and name ha ) 1.8 0 2.5 assign (segid A and resid 34 and name hb*) (segid A and resid 110 and name hg1*) 1.8 0 4.2 assign (segid A and resid 34 and name hb* ) (segid A and resid 110 and name hb ) 1.8 0 4.2 assign (segid A and resid 34 and name hb* ) (segid A and resid 111 and name ha ) 1.8 0 2.5 assign (segid A and resid 35 and name hn ) (segid A and resid 111 and name hb2) 1.8 0 3.2 assign (segid A and resid 35 and name hn ) (segid A and resid 111 and name ha ) 1.8 0 1.5 assign (segid A and resid 35 and name hn ) (segid A and resid 111 and name hb2) 1.8 0 3.2 assign (segid A and resid 35 and name hn ) (segid A and resid 112 and name hn ) 1.8 0 3.2 assign (segid A and resid 34 and name hb* ) (segid A and resid 112 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name hg2*) (segid A and resid 112 and name hn ) 1.8 0 4.2 assign (segid A and resid 36 and name ha ) (segid A and resid 113 and name ha ) 2.5 0 3.2 assign (segid A and resid 37 and name hn ) (segid A and resid 113 and name ha ) 1.8 0 3.2 assign (segid A and resid 37 and name hn ) (segid A and resid 114 and name hn ) 1.8 0 3.2 assign (segid A and resid 37 and name hb* ) (segid A and resid 114 and name hn ) 1.8 0 4.2 assign (segid A and resid 38 and name ha ) (segid A and resid 114 and name hb*) 1.8 0 2.5 assign (segid A and resid 38 and name ha ) (segid A and resid 114 and name hn ) 1.8 0 3.2 assign (segid A and resid 38 and name hb1 ) (segid A and resid 114 and name hb*) 1.8 0 4.2 assign (segid A and resid 39 and name hb* ) (segid A and resid 116 and name he*) 1.8 0 5.8 assign (segid A and resid 39 and name ha ) (segid A and resid 116 and name he*) 1.8 0 5.3 !........................STRAND 3 (L63-L67)................................ !Leu63 assign (segid A and resid 63 and name ha ) (segid A and resid 63 and name hn ) 1.8 0 3.2 assign (segid A and resid 63 and name hg ) (segid A and resid 63 and name hn ) 1.8 0 1.0 assign (segid A and resid 63 and name hb2 ) (segid A and resid 63 and name hn ) 1.8 0 3.2 assign (segid A and resid 63 and name hb1 ) (segid A and resid 63 and name ha ) 1.8 0 1.0 assign (segid A and resid 63 and name hb2 ) (segid A and resid 63 and name ha ) 1.8 0 1.0 assign (segid A and resid 63 and name hd1*) (segid A and resid 63 and name hn ) 1.8 0 2.5 assign (segid A and resid 63 and name hd2*) (segid A and resid 63 and name hn ) 1.8 0 4.2 assign (segid A and resid 63 and name hd1*) (segid A and resid 63 and name ha ) 1.8 0 4.2 assign (segid A and resid 63 and name hd2*) (segid A and resid 63 and name ha ) 1.8 0 2.5 assign (segid A and resid 62 and name ha ) (segid A and resid 63 and name hn ) 1.8 0 1.0 assign (segid A and resid 62 and name hd2 ) (segid A and resid 63 and name hn ) 1.8 0 4.7 assign (segid A and resid 62 and name hg* ) (segid A and resid 63 and name hn ) 1.8 0 4.2 assign (segid A and resid 62 and name hb* ) (segid A and resid 63 and name hn ) 1.8 0 2.5 !Ala64 assign (segid A and resid 64 and name ha ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 64 and name hb* ) (segid A and resid 64 and name hn ) 1.8 0 4.2 assign (segid A and resid 64 and name hb* ) (segid A and resid 64 and name ha ) 1.8 0 2.0 assign (segid A and resid 63 and name ha ) (segid A and resid 64 and name hn ) 1.8 0 1.0 assign (segid A and resid 63 and name hg ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 63 and name hb1 ) (segid A and resid 64 and name hn ) 1.8 0 1.5 assign (segid A and resid 63 and name hb2 ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 63 and name hd1*) (segid A and resid 64 and name hn ) 1.8 0 4.2 assign (segid A and resid 63 and name hn ) (segid A and resid 64 and name hn ) 1.8 0 3.2 !Val65 assign (segid A and resid 65 and name ha ) (segid A and resid 65 and name hn ) 1.8 0 3.2 assign (segid A and resid 65 and name hb ) (segid A and resid 65 and name hn ) 1.8 0 1.5 assign (segid A and resid 65 and name hg1*) (segid A and resid 65 and name hn ) 1.8 0 4.2 assign (segid A and resid 65 and name hg2*) (segid A and resid 65 and name hn ) 1.8 0 2.5 assign (segid A and resid 65 and name hg1*) (segid A and resid 65 and name ha ) 1.8 0 2.5 assign (segid A and resid 65 and name hg2*) (segid A and resid 65 and name ha ) 1.8 0 2.5 assign (segid A and resid 64 and name ha ) (segid A and resid 65 and name hn ) 1.8 0 1.0 assign (segid A and resid 64 and name hb* ) (segid A and resid 65 and name hn ) 1.8 0 2.0 assign (segid A and resid 64 and name ha ) (segid A and resid 65 and name hg2*) 1.8 0 4.2 !Glu66 assign (segid A and resid 66 and name ha ) (segid A and resid 66 and name hn ) 1.8 0 3.2 assign (segid A and resid 66 and name hb1 ) (segid A and resid 66 and name hn ) 1.8 0 1.5 assign (segid A and resid 66 and name hb2 ) (segid A and resid 66 and name hn ) 1.8 0 3.2 assign (segid A and resid 66 and name hg* ) (segid A and resid 66 and name hn ) 1.8 0 3.2 assign (segid A and resid 66 and name hb1 ) (segid A and resid 66 and name ha ) 1.8 0 1.5 assign (segid A and resid 66 and name hb2 ) (segid A and resid 66 and name ha ) 1.8 0 1.5 assign (segid A and resid 66 and name hg* ) (segid A and resid 66 and name ha ) 1.8 0 1.0 assign (segid A and resid 65 and name ha ) (segid A and resid 66 and name hn ) 1.8 0 1.0 assign (segid A and resid 65 and name hg1*) (segid A and resid 66 and name hn ) 1.8 0 2.0 assign (segid A and resid 65 and name hg2*) (segid A and resid 66 and name hn ) 1.8 0 4.2 assign (segid A and resid 65 and name hg1*) (segid A and resid 66 and name ha ) 1.8 0 4.2 !Leu67 assign (segid A and resid 67 and name ha ) (segid A and resid 67 and name hn ) 1.8 0 3.2 assign (segid A and resid 67 and name hb2 ) (segid A and resid 67 and name hn ) 1.8 0 1.5 assign (segid A and resid 67 and name hg ) (segid A and resid 67 and name hn ) 1.8 0 1.0 assign (segid A and resid 67 and name hd1*) (segid A and resid 67 and name hn ) 1.8 0 2.0 assign (segid A and resid 67 and name hd1*) (segid A and resid 67 and name ha ) 1.8 0 2.5 assign (segid A and resid 67 and name hb1 ) (segid A and resid 67 and name ha ) 1.8 0 1.0 assign (segid A and resid 67 and name hb2 ) (segid A and resid 67 and name ha ) 1.8 0 1.0 assign (segid A and resid 67 and name hg ) (segid A and resid 67 and name ha ) 1.8 0 4.2 assign (segid A and resid 66 and name ha ) (segid A and resid 67 and name hn ) 1.8 0 1.0 assign (segid A and resid 66 and name hg* ) (segid A and resid 67 and name hn ) 1.8 0 4.2 assign (segid A and resid 66 and name hb2 ) (segid A and resid 67 and name hn ) 1.8 0 3.2 !........................STRAND 4 (V71-A75)................................ !kink between Strands 3 & 4 (Thr68-Glu70) !Thr68 assign (segid A and resid 68 and name ha ) (segid A and resid 68 and name hn ) 1.8 0 1.5 assign (segid A and resid 68 and name hb ) (segid A and resid 68 and name hn ) 1.8 0 3.2 assign (segid A and resid 68 and name hg2*) (segid A and resid 68 and name hn ) 1.8 0 2.5 assign (segid A and resid 68 and name hb ) (segid A and resid 68 and name ha ) 1.8 0 3.2 assign (segid A and resid 68 and name hg2*) (segid A and resid 68 and name ha ) 1.8 0 2.0 assign (segid A and resid 67 and name hn ) (segid A and resid 68 and name hn ) 1.8 0 3.2 assign (segid A and resid 67 and name ha ) (segid A and resid 68 and name hn ) 1.8 0 1.5 assign (segid A and resid 67 and name hb* ) (segid A and resid 68 and name hn ) 1.8 0 1.0 assign (segid A and resid 67 and name hd* ) (segid A and resid 68 and name hn ) 1.8 0 3.2 assign (segid A and resid 67 and name ha ) (segid A and resid 68 and name hg2*) 1.8 0 4.2 !Gln69 assign (segid A and resid 69 and name ha ) (segid A and resid 69 and name hn ) 1.8 0 3.2 assign (segid A and resid 69 and name hg2 ) (segid A and resid 69 and name hn ) 1.8 0 1.5 assign (segid A and resid 69 and name hb1 ) (segid A and resid 69 and name hn ) 1.8 0 1.0 assign (segid A and resid 69 and name hb1 ) (segid A and resid 69 and name ha ) 1.8 0 1.5 assign (segid A and resid 69 and name hb2 ) (segid A and resid 69 and name ha ) 1.8 0 1.5 assign (segid A and resid 69 and name hg* ) (segid A and resid 69 and name ha ) 1.8 0 3.7 assign (segid A and resid 68 and name hn ) (segid A and resid 69 and name hn ) 1.8 0 1.0 assign (segid A and resid 68 and name ha ) (segid A and resid 69 and name hn ) 1.8 0 1.5 assign (segid A and resid 68 and name hb ) (segid A and resid 69 and name hn ) 1.8 0 3.2 assign (segid A and resid 68 and name hg2*) (segid A and resid 69 and name hn ) 1.8 0 4.2 !Glu70(E70 HN is exchanged away, no diagonal, so peaks are weaker than should be) assign (segid A and resid 70 and name ha ) (segid A and resid 70 and name hn ) 1.8 0 3.2 assign (segid A and resid 70 and name hb1 ) (segid A and resid 70 and name hn ) 1.8 0 1.0 assign (segid A and resid 70 and name hb2 ) (segid A and resid 70 and name hn ) 1.8 0 1.0 assign (segid A and resid 70 and name hg1 ) (segid A and resid 70 and name hn ) 1.8 0 3.2 assign (segid A and resid 70 and name hg2 ) (segid A and resid 70 and name hn ) 1.8 0 3.2 assign (segid A and resid 70 and name hg1 ) (segid A and resid 70 and name ha ) 1.8 0 1.0 assign (segid A and resid 70 and name hg2 ) (segid A and resid 70 and name ha ) 1.8 0 1.0 assign (segid A and resid 70 and name hb1 ) (segid A and resid 70 and name ha ) 1.8 0 3.2 assign (segid A and resid 70 and name hb2 ) (segid A and resid 70 and name ha ) 1.8 0 3.2 assign (segid A and resid 69 and name hn ) (segid A and resid 70 and name hn ) 1.8 0 3.2 assign (segid A and resid 69 and name ha ) (segid A and resid 70 and name hn ) 1.8 0 3.2 assign (segid A and resid 69 and name hg1 ) (segid A and resid 70 and name hn ) 1.8 0 1.5 assign (segid A and resid 69 and name hb2 ) (segid A and resid 70 and name hn ) 1.8 0 1.5 !Val71 assign (segid A and resid 71 and name ha ) (segid A and resid 71 and name hn ) 1.8 0 3.2 assign (segid A and resid 71 and name hb ) (segid A and resid 71 and name hn ) 1.8 0 1.5 assign (segid A and resid 71 and name hg2*) (segid A and resid 71 and name hn ) 1.8 0 2.0 assign (segid A and resid 71 and name hg1*) (segid A and resid 71 and name hn ) 1.8 0 2.5 assign (segid A and resid 71 and name hb ) (segid A and resid 71 and name ha ) 1.8 0 3.2 assign (segid A and resid 71 and name hg1*) (segid A and resid 71 and name ha ) 1.8 0 2.0 assign (segid A and resid 71 and name hg2*) (segid A and resid 71 and name ha ) 1.8 0 2.0 assign (segid A and resid 70 and name ha ) (segid A and resid 71 and name hn ) 1.8 0 1.0 assign (segid A and resid 70 and name hb1 ) (segid A and resid 71 and name hn ) 1.8 0 3.2 assign (segid A and resid 70 and name hb2 ) (segid A and resid 71 and name hn ) 1.8 0 3.2 assign (segid A and resid 70 and name hg1 ) (segid A and resid 71 and name hn ) 1.8 0 1.5 assign (segid A and resid 70 and name hg2 ) (segid A and resid 71 and name hn ) 1.8 0 1.5 !Arg72 (incomplete system) assign (segid A and resid 72 and name ha ) (segid A and resid 72 and name hn ) 1.8 0 3.2 assign (segid A and resid 71 and name ha ) (segid A and resid 72 and name hn ) 1.8 0 1.0 assign (segid A and resid 71 and name hb ) (segid A and resid 72 and name hn ) 1.8 0 3.2 assign (segid A and resid 71 and name hg1*) (segid A and resid 72 and name hn ) 1.8 0 2.0 assign (segid A and resid 71 and name hg2*) (segid A and resid 72 and name hn ) 1.8 0 3.2 !Ala73 assign (segid A and resid 73 and name ha ) (segid A and resid 73 and name hn ) 1.8 0 3.2 assign (segid A and resid 73 and name hb* ) (segid A and resid 73 and name hn ) 1.8 0 2.5 assign (segid A and resid 73 and name hb* ) (segid A and resid 73 and name ha ) 1.8 0 2.0 assign (segid A and resid 72 and name ha ) (segid A and resid 73 and name hn ) 1.8 0 1.0 assign (segid A and resid 71 and name hg1*) (segid A and resid 73 and name hb* ) 1.8 0 3.5 !Val74 assign (segid A and resid 74 and name ha ) (segid A and resid 74 and name hn ) 1.8 0 1.5 assign (segid A and resid 74 and name hb ) (segid A and resid 74 and name hn ) 1.8 0 3.2 assign (segid A and resid 74 and name hg1*) (segid A and resid 74 and name hn ) 1.8 0 4.2 assign (segid A and resid 74 and name hg2*) (segid A and resid 74 and name hn ) 1.8 0 2.0 assign (segid A and resid 74 and name hb ) (segid A and resid 74 and name ha ) 1.8 0 1.5 assign (segid A and resid 74 and name hg1*) (segid A and resid 74 and name ha ) 1.8 0 2.5 assign (segid A and resid 74 and name hg2*) (segid A and resid 74 and name ha ) 1.8 0 4.2 assign (segid A and resid 73 and name ha ) (segid A and resid 74 and name hn ) 1.8 0 1.0 assign (segid A and resid 73 and name hb* ) (segid A and resid 74 and name hn ) 1.8 0 2.5 !Ala75 assign (segid A and resid 75 and name ha ) (segid A and resid 75 and name hn ) 1.8 0 1.5 assign (segid A and resid 75 and name hb* ) (segid A and resid 75 and name hn ) 1.8 0 2.0 assign (segid A and resid 75 and name hb* ) (segid A and resid 75 and name ha ) 1.8 0 2.0 assign (segid A and resid 74 and name hb ) (segid A and resid 75 and name hn ) 1.8 0 1.5 assign (segid A and resid 74 and name hg1*) (segid A and resid 75 and name hn ) 1.8 0 2.5 assign (segid A and resid 74 and name hg2*) (segid A and resid 75 and name hn ) 1.8 0 4.2 assign (segid A and resid 74 and name ha ) (segid A and resid 75 and name hn ) 1.8 0 1.0 assign (segid A and resid 74 and name hn ) (segid A and resid 75 and name hn ) 1.8 0 3.2 assign (segid A and resid 74 and name hg1*) (segid A and resid 75 and name hb* ) 1.8 0 4.0 !.......................TURN (N76-E77)....................................... !Asn76 (system is crowded in data) assign (segid A and resid 75 and name ha ) (segid A and resid 76 and name hn ) 1.8 0 3.2 assign (segid A and resid 75 and name hb* ) (segid A and resid 76 and name hn ) 1.8 0 3.2 assign (segid A and resid 75 and name hn ) (segid A and resid 76 and name hn ) 1.8 0 3.2 !Glu77 assign (segid A and resid 77 and name ha ) (segid A and resid 77 and name hn ) 1.8 0 3.2 assign (segid A and resid 77 and name hb2 ) (segid A and resid 77 and name hn ) 1.8 0 3.2 assign (segid A and resid 77 and name hb1 ) (segid A and resid 77 and name hn ) 1.8 0 1.5 assign (segid A and resid 77 and name hg1 ) (segid A and resid 77 and name ha ) 1.8 0 1.5 assign (segid A and resid 77 and name hg2 ) (segid A and resid 77 and name ha ) 1.8 0 1.5 assign (segid A and resid 77 and name hb2 ) (segid A and resid 77 and name ha ) 1.8 0 3.2 assign (segid A and resid 77 and name hb1 ) (segid A and resid 77 and name ha ) 1.8 0 3.2 assign (segid A and resid 76 and name hn ) (segid A and resid 77 and name hn ) 1.8 0 1.5 !........................STRAND 5 (E77-Q89)................................... !Ala78 assign (segid A and resid 78 and name ha ) (segid A and resid 78 and name hn ) 1.8 0 3.2 assign (segid A and resid 78 and name hb* ) (segid A and resid 78 and name hn ) 1.8 0 2.5 assign (segid A and resid 78 and name hb* ) (segid A and resid 78 and name ha ) 1.8 0 2.0 assign (segid A and resid 77 and name ha ) (segid A and resid 78 and name hn ) 1.8 0 1.0 assign (segid A and resid 77 and name hg2 ) (segid A and resid 78 and name hn ) 1.8 0 1.5 assign (segid A and resid 77 and name hg1 ) (segid A and resid 78 and name hn ) 1.8 0 3.2 assign (segid A and resid 77 and name hb2 ) (segid A and resid 78 and name hn ) 1.8 0 1.5 !Ala79 assign (segid A and resid 79 and name ha ) (segid A and resid 79 and name hn ) 1.8 0 3.2 assign (segid A and resid 79 and name hb* ) (segid A and resid 79 and name hn ) 1.8 0 2.5 assign (segid A and resid 79 and name hb* ) (segid A and resid 79 and name ha ) 1.8 0 2.0 assign (segid A and resid 78 and name ha ) (segid A and resid 79 and name hn ) 1.8 0 1.0 assign (segid A and resid 78 and name hb* ) (segid A and resid 79 and name hn ) 1.8 0 2.0 !Phe80 assign (segid A and resid 80 and name ha ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 80 and name hb1 ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 80 and name hb2 ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 80 and name hd* ) (segid A and resid 80 and name hn ) 1.8 0 3.9 assign (segid A and resid 80 and name he* ) (segid A and resid 80 and name hn ) 1.8 0 5.6 assign (segid A and resid 80 and name hb1 ) (segid A and resid 80 and name ha ) 1.8 0 1.0 assign (segid A and resid 80 and name hb2 ) (segid A and resid 80 and name ha ) 1.8 0 1.0 assign (segid A and resid 80 and name hd* ) (segid A and resid 80 and name hb1 ) 1.8 0 3.9 assign (segid A and resid 80 and name hd* ) (segid A and resid 80 and name hb2 ) 1.8 0 3.9 assign (segid A and resid 79 and name ha ) (segid A and resid 80 and name hn ) 1.8 0 1.0 assign (segid A and resid 79 and name hb* ) (segid A and resid 80 and name hn ) 1.8 0 2.0 !Ala81 assign (segid A and resid 81 and name hb* ) (segid A and resid 81 and name hn ) 1.8 0 2.0 assign (segid A and resid 81 and name hb* ) (segid A and resid 81 and name ha ) 1.8 0 2.0 assign (segid A and resid 80 and name ha ) (segid A and resid 81 and name hn ) 1.8 0 1.0 assign (segid A and resid 80 and name hb1 ) (segid A and resid 81 and name hn ) 1.8 0 2.0 assign (segid A and resid 80 and name hd* ) (segid A and resid 81 and name hn ) 1.8 0 5.6 !Phe82 assign (segid A and resid 82 and name ha ) (segid A and resid 82 and name hn ) 1.8 0 3.2 assign (segid A and resid 82 and name hb1 ) (segid A and resid 82 and name hn ) 1.8 0 3.2 assign (segid A and resid 82 and name hb2 ) (segid A and resid 82 and name hn ) 1.8 0 3.2 assign (segid A and resid 82 and name hd* ) (segid A and resid 82 and name hn ) 1.8 0 3.6 assign (segid A and resid 82 and name he* ) (segid A and resid 82 and name hn ) 1.8 0 5.3 assign (segid A and resid 82 and name hb1 ) (segid A and resid 82 and name ha ) 1.8 0 1.0 assign (segid A and resid 82 and name hb2 ) (segid A and resid 82 and name ha ) 1.8 0 1.0 assign (segid A and resid 82 and name hd* ) (segid A and resid 82 and name hn ) 1.8 0 3.9 assign (segid A and resid 82 and name hd* ) (segid A and resid 82 and name hn ) 1.8 0 3.9 assign (segid A and resid 81 and name ha ) (segid A and resid 82 and name hn ) 1.8 0 1.0 assign (segid A and resid 81 and name hb* ) (segid A and resid 82 and name hn ) 1.8 0 2.0 assign (segid A and resid 81 and name ha ) (segid A and resid 82 and name hd* ) 1.8 0 5.3 assign (segid A and resid 80 and name he* ) (segid A and resid 82 and name he* ) 1.8 0 7.4 assign (segid A and resid 80 and name hz ) (segid A and resid 55 and name he* ) 1.8 0 3.6 !Thr83 assign (segid A and resid 83 and name ha ) (segid A and resid 83 and name hn ) 1.8 0 3.2 assign (segid A and resid 83 and name hb ) (segid A and resid 83 and name hn ) 1.8 0 3.2 assign (segid A and resid 83 and name hg2*) (segid A and resid 83 and name hn ) 1.8 0 2.5 assign (segid A and resid 83 and name hg2*) (segid A and resid 83 and name ha ) 1.8 0 2.0 assign (segid A and resid 83 and name hb ) (segid A and resid 83 and name ha ) 1.8 0 3.2 assign (segid A and resid 82 and name ha ) (segid A and resid 83 and name hn ) 1.8 0 1.0 assign (segid A and resid 82 and name hb1 ) (segid A and resid 83 and name hn ) 1.8 0 1.5 assign (segid A and resid 82 and name hb2 ) (segid A and resid 83 and name hn ) 1.8 0 2.0 !Val84 assign (segid A and resid 84 and name ha ) (segid A and resid 84 and name hn ) 1.8 0 3.2 assign (segid A and resid 84 and name hb ) (segid A and resid 84 and name hn ) 1.8 0 1.5 assign (segid A and resid 84 and name hg2*) (segid A and resid 84 and name hn ) 1.8 0 2.5 assign (segid A and resid 84 and name hg1*) (segid A and resid 84 and name hn ) 1.8 0 4.2 assign (segid A and resid 84 and name hb ) (segid A and resid 84 and name ha ) 1.8 0 3.2 assign (segid A and resid 84 and name hg1*) (segid A and resid 84 and name ha ) 1.8 0 2.0 assign (segid A and resid 84 and name hg2*) (segid A and resid 84 and name ha ) 1.8 0 2.0 assign (segid A and resid 83 and name ha ) (segid A and resid 84 and name hn ) 1.8 0 1.0 assign (segid A and resid 83 and name hb ) (segid A and resid 84 and name hn ) 1.8 0 1.5 assign (segid A and resid 83 and name hg2*) (segid A and resid 84 and name hn ) 1.8 0 2.0 !Ser85 assign (segid A and resid 85 and name ha ) (segid A and resid 85 and name hn ) 1.8 0 3.2 assign (segid A and resid 85 and name hb* ) (segid A and resid 85 and name hn ) 1.8 0 2.5 assign (segid A and resid 85 and name hb1 ) (segid A and resid 85 and name ha ) 1.8 0 1.0 assign (segid A and resid 85 and name hb2 ) (segid A and resid 85 and name ha ) 1.8 0 1.0 assign (segid A and resid 84 and name ha ) (segid A and resid 85 and name hn ) 1.8 0 1.0 assign (segid A and resid 84 and name hb ) (segid A and resid 85 and name hn ) 1.8 0 3.2 assign (segid A and resid 84 and name hg1*) (segid A and resid 85 and name hn ) 1.8 0 2.0 assign (segid A and resid 84 and name hg2*) (segid A and resid 85 and name hn ) 1.8 0 4.2 !Phe86 assign (segid A and resid 86 and name ha ) (segid A and resid 86 and name hn ) 1.8 0 1.5 assign (segid A and resid 86 and name hb1 ) (segid A and resid 86 and name hn ) 1.8 0 3.2 assign (segid A and resid 86 and name hb2 ) (segid A and resid 86 and name hn ) 1.8 0 3.2 assign (segid A and resid 86 and name hd* ) (segid A and resid 86 and name hn ) 1.8 0 5.6 assign (segid A and resid 86 and name hb1 ) (segid A and resid 86 and name ha ) 1.8 0 1.0 assign (segid A and resid 86 and name hb2 ) (segid A and resid 86 and name ha ) 1.8 0 1.0 assign (segid A and resid 85 and name ha ) (segid A and resid 86 and name hn ) 1.8 0 1.0 assign (segid A and resid 85 and name hb* ) (segid A and resid 86 and name hn ) 1.8 0 3.2 assign (segid A and resid 85 and name hn ) (segid A and resid 86 and name hd* ) 1.8 0 5.3 assign (segid A and resid 85 and name ha ) (segid A and resid 86 and name hd* ) 1.8 0 5.3 assign (segid A and resid 85 and name ha ) (segid A and resid 86 and name he* ) 1.8 0 5.3 assign (segid A and resid 84 and name hg1*) (segid A and resid 86 and name hd* ) 1.8 0 4.1 !Glu87 assign (segid A and resid 87 and name hb* ) (segid A and resid 87 and name hn ) 1.8 0 4.2 assign (segid A and resid 87 and name hg* ) (segid A and resid 87 and name hn ) 1.8 0 4.2 assign (segid A and resid 87 and name hb* ) (segid A and resid 87 and name ha ) 1.8 0 2.0 assign (segid A and resid 87 and name hg* ) (segid A and resid 87 and name ha ) 1.8 0 2.0 assign (segid A and resid 86 and name ha ) (segid A and resid 87 and name hn ) 1.8 0 1.0 assign (segid A and resid 86 and name hb1 ) (segid A and resid 87 and name hn ) 1.8 0 2.0 assign (segid A and resid 86 and name hd* ) (segid A and resid 87 and name hn ) 1.8 0 5.5 assign (segid A and resid 86 and name hd* ) (segid A and resid 87 and name ha ) 1.8 0 5.6 !Phe88 assign (segid A and resid 88 and name ha ) (segid A and resid 88 and name hn ) 1.8 0 3.2 assign (segid A and resid 88 and name hb2 ) (segid A and resid 88 and name hn ) 1.8 0 3.2 assign (segid A and resid 88 and name hb1 ) (segid A and resid 88 and name ha ) 1.8 0 1.0 assign (segid A and resid 88 and name hb2 ) (segid A and resid 88 and name ha ) 1.8 0 1.0 assign (segid A and resid 88 and name hd* ) (segid A and resid 88 and name hn ) 1.8 0 5.6 assign (segid A and resid 87 and name ha ) (segid A and resid 88 and name hn ) 1.8 0 1.0 assign (segid A and resid 87 and name hg* ) (segid A and resid 88 and name hn ) 1.8 0 2.0 assign (segid A and resid 87 and name hb* ) (segid A and resid 88 and name hn ) 1.8 0 2.0 assign (segid A and resid 88 and name hd* ) (segid A and resid 88 and name hb1 ) 1.8 0 3.1 assign (segid A and resid 88 and name hd* ) (segid A and resid 88 and name hb2 ) 1.8 0 3.1 assign (segid A and resid 88 and name hd* ) (segid A and resid 88 and name ha ) 1.8 0 3.6 !Gln89 assign (segid A and resid 89 and name ha ) (segid A and resid 89 and name hn ) 1.8 0 1.5 assign (segid A and resid 89 and name hb1 ) (segid A and resid 89 and name hn ) 1.8 0 1.5 assign (segid A and resid 89 and name hg2 ) (segid A and resid 89 and name hn ) 1.8 0 3.2 assign (segid A and resid 89 and name hb2 ) (segid A and resid 89 and name ha ) 1.8 0 1.0 assign (segid A and resid 89 and name hb1 ) (segid A and resid 89 and name ha ) 1.8 0 3.2 assign (segid A and resid 89 and name hg2 ) (segid A and resid 89 and name ha ) 1.8 0 1.5 assign (segid A and resid 89 and name hg1 ) (segid A and resid 89 and name ha ) 1.8 0 3.2 assign (segid A and resid 88 and name ha ) (segid A and resid 89 and name hn ) 1.8 0 1.5 assign (segid A and resid 88 and name hd* ) (segid A and resid 89 and name hg1 ) 1.8 0 5.3 assign (segid A and resid 88 and name hd* ) (segid A and resid 89 and name hg2 ) 1.8 0 5.3 !Gly90 assign (segid A and resid 90 and name ha1 ) (segid A and resid 90 and name hn ) 1.8 0 1.5 assign (segid A and resid 90 and name ha2 ) (segid A and resid 90 and name hn ) 1.8 0 1.5 assign (segid A and resid 89 and name hn ) (segid A and resid 90 and name hn ) 1.8 0 3.2 assign (segid A and resid 89 and name hb1 ) (segid A and resid 90 and name hn ) 1.8 0 3.2 assign (segid A and resid 89 and name ha ) (segid A and resid 90 and name hn ) 1.8 0 3.2 assign (segid A and resid 87 and name hg* ) (segid A and resid 90 and name hn ) 1.8 0 4.2 !Arg91 assign (segid A and resid 91 and name ha ) (segid A and resid 91 and name hn ) 1.8 0 3.2 assign (segid A and resid 91 and name hd* ) (segid A and resid 91 and name hn ) 1.8 0 3.2 assign (segid A and resid 91 and name hg* ) (segid A and resid 91 and name hn ) 1.8 0 3.2 assign (segid A and resid 91 and name hb* ) (segid A and resid 91 and name hn ) 1.8 0 2.5 assign (segid A and resid 91 and name hb* ) (segid A and resid 91 and name ha ) 1.8 0 2.5 assign (segid A and resid 91 and name hg1 ) (segid A and resid 91 and name ha ) 1.8 0 1.0 assign (segid A and resid 91 and name hg2 ) (segid A and resid 91 and name ha ) 1.8 0 1.0 assign (segid A and resid 90 and name hn ) (segid A and resid 91 and name hn ) 1.8 0 1.0 assign (segid A and resid 90 and name ha1 ) (segid A and resid 91 and name hn ) 1.8 0 1.5 assign (segid A and resid 90 and name ha2 ) (segid A and resid 91 and name hn ) 1.8 0 3.2 assign (segid A and resid 89 and name hg1 ) (segid A and resid 91 and name hn ) 1.8 0 3.2 !Lys92 assign (segid A and resid 92 and name ha ) (segid A and resid 92 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hd1 ) (segid A and resid 92 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hd2 ) (segid A and resid 92 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hb* ) (segid A and resid 92 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hb1 ) (segid A and resid 92 and name ha ) 1.8 0 1.5 assign (segid A and resid 92 and name hb2 ) (segid A and resid 92 and name ha ) 1.8 0 1.5 assign (segid A and resid 92 and name hg* ) (segid A and resid 92 and name ha ) 1.8 0 3.2 assign (segid A and resid 91 and name ha ) (segid A and resid 92 and name hn ) 1.8 0 1.0 assign (segid A and resid 91 and name hb* ) (segid A and resid 92 and name hn ) 1.8 0 4.2 assign (segid A and resid 91 and name hg* ) (segid A and resid 92 and name hn ) 1.8 0 2.0 assign (segid A and resid 91 and name hn ) (segid A and resid 92 and name hn ) 1.8 0 3.2 !Thr93 assign (segid A and resid 93 and name ha ) (segid A and resid 93 and name hn ) 1.8 0 3.2 assign (segid A and resid 93 and name hb ) (segid A and resid 93 and name hn ) 1.8 0 1.5 assign (segid A and resid 93 and name hg2*) (segid A and resid 93 and name hn ) 1.8 0 2.5 assign (segid A and resid 93 and name hb ) (segid A and resid 93 and name ha ) 1.8 0 3.2 assign (segid A and resid 93 and name hg2*) (segid A and resid 93 and name ha ) 1.8 0 2.0 assign (segid A and resid 92 and name ha ) (segid A and resid 93 and name hn ) 1.8 0 1.0 assign (segid A and resid 92 and name hb* ) (segid A and resid 93 and name hn ) 1.8 0 2.0 assign (segid A and resid 92 and name hd1 ) (segid A and resid 93 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hd2 ) (segid A and resid 93 and name hn ) 1.8 0 3.2 !Val94 assign (segid A and resid 94 and name ha ) (segid A and resid 94 and name hn ) 1.8 0 3.2 assign (segid A and resid 94 and name hb ) (segid A and resid 94 and name hn ) 1.8 0 1.5 assign (segid A and resid 94 and name hg1*) (segid A and resid 94 and name hn ) 1.8 0 2.0 assign (segid A and resid 94 and name hb ) (segid A and resid 94 and name ha ) 1.8 0 3.2 assign (segid A and resid 94 and name hg2*) (segid A and resid 94 and name ha ) 1.8 0 2.0 assign (segid A and resid 85 and name hb* ) (segid A and resid 94 and name hg2*) 1.8 0 2.5 assign (segid A and resid 85 and name ha ) (segid A and resid 94 and name hg2*) 1.8 0 4.2 assign (segid A and resid 93 and name ha ) (segid A and resid 94 and name hn ) 1.8 0 1.0 assign (segid A and resid 93 and name hb ) (segid A and resid 94 and name hn ) 1.8 0 1.5 assign (segid A and resid 93 and name hg2*) (segid A and resid 94 and name hn ) 1.8 0 2.0 !Val95 assign (segid A and resid 95 and name ha ) (segid A and resid 95 and name hn ) 1.8 0 3.2 assign (segid A and resid 95 and name hb ) (segid A and resid 95 and name hn ) 1.8 0 1.0 assign (segid A and resid 95 and name hg1*) (segid A and resid 95 and name hn ) 1.8 0 4.2 assign (segid A and resid 95 and name hg2*) (segid A and resid 95 and name ha ) 1.8 0 2.0 assign (segid A and resid 95 and name hg1*) (segid A and resid 95 and name ha ) 1.8 0 2.0 assign (segid A and resid 95 and name hb ) (segid A and resid 95 and name ha ) 1.8 0 3.2 assign (segid A and resid 94 and name ha ) (segid A and resid 95 and name hn ) 1.8 0 1.0 assign (segid A and resid 94 and name hg1*) (segid A and resid 95 and name hn ) 1.8 0 2.5 assign (segid A and resid 94 and name hg2*) (segid A and resid 95 and name hn ) 1.8 0 2.5 !Ala96 assign (segid A and resid 96 and name ha ) (segid A and resid 96 and name hn ) 1.8 0 3.2 assign (segid A and resid 96 and name hb* ) (segid A and resid 96 and name hn ) 1.8 0 2.5 assign (segid A and resid 96 and name hb* ) (segid A and resid 96 and name ha ) 1.8 0 2.0 assign (segid A and resid 95 and name ha ) (segid A and resid 96 and name hn ) 1.8 0 1.0 assign (segid A and resid 95 and name hg1*) (segid A and resid 96 and name hn ) 1.8 0 2.5 assign (segid A and resid 95 and name hg2*) (segid A and resid 96 and name hn ) 1.8 0 2.5 assign (segid A and resid 95 and name hg1*) (segid A and resid 96 and name ha ) 1.8 0 4.2 !Pro97 assign (segid A and resid 97 and name hb1 ) (segid A and resid 97 and name ha ) 1.8 0 1.0 assign (segid A and resid 97 and name hb2 ) (segid A and resid 97 and name ha ) 1.8 0 1.0 assign (segid A and resid 97 and name hd1 ) (segid A and resid 97 and name ha ) 1.8 0 3.2 assign (segid A and resid 96 and name ha ) (segid A and resid 97 and name hd2 ) 1.8 0 1.5 !Ile98 assign (segid A and resid 98 and name ha ) (segid A and resid 98 and name hn ) 1.8 0 3.2 assign (segid A and resid 98 and name hb ) (segid A and resid 98 and name hn ) 1.8 0 1.0 assign (segid A and resid 98 and name hd* ) (segid A and resid 98 and name hn ) 1.8 0 2.0 assign (segid A and resid 98 and name hg11) (segid A and resid 98 and name hn ) 1.8 0 3.2 assign (segid A and resid 98 and name hg12) (segid A and resid 98 and name hn ) 1.8 0 3.2 assign (segid A and resid 98 and name hb ) (segid A and resid 98 and name ha ) 1.8 0 3.2 assign (segid A and resid 98 and name hg11) (segid A and resid 98 and name ha ) 1.8 0 3.2 assign (segid A and resid 98 and name hg12) (segid A and resid 98 and name ha ) 1.8 0 3.2 assign (segid A and resid 98 and name hd* ) (segid A and resid 98 and name ha ) 1.8 0 2.5 assign (segid A and resid 98 and name hg2*) (segid A and resid 98 and name ha ) 1.8 0 2.0 assign (segid A and resid 97 and name ha ) (segid A and resid 98 and name hn ) 1.8 0 1.0 assign (segid A and resid 97 and name hb1 ) (segid A and resid 98 and name hn ) 1.8 0 1.5 assign (segid A and resid 97 and name hb2 ) (segid A and resid 98 and name hn ) 1.8 0 1.0 assign (segid A and resid 97 and name ha ) (segid A and resid 98 and name hd* ) 1.8 0 4.2 !Asp99 assign (segid A and resid 99 and name ha ) (segid A and resid 99 and name hn ) 1.8 0 3.2 assign (segid A and resid 99 and name hb1 ) (segid A and resid 99 and name hn ) 1.8 0 1.0 assign (segid A and resid 99 and name hb2 ) (segid A and resid 99 and name hn ) 1.8 0 1.5 assign (segid A and resid 99 and name hb1 ) (segid A and resid 99 and name ha ) 2.3 0 0.4 assign (segid A and resid 99 and name hb2 ) (segid A and resid 99 and name ha ) 2.3 0 0.4 assign (segid A and resid 98 and name ha ) (segid A and resid 99 and name hn ) 1.8 0 1.0 assign (segid A and resid 98 and name hg2*) (segid A and resid 99 and name hn ) 1.8 0 2.0 assign (segid A and resid 98 and name hg11) (segid A and resid 99 and name hn ) 1.8 0 3.2 assign (segid A and resid 98 and name hg12) (segid A and resid 99 and name hn ) 1.8 0 3.2 assign (segid A and resid 98 and name hg2*) (segid A and resid 99 and name ha ) 1.8 0 4.2 !His100 assign (segid A and resid 100 and name ha ) (segid A and resid 100 and name hn ) 1.8 0 3.2 assign (segid A and resid 100 and name hb1) (segid A and resid 100 and name hn ) 1.8 0 1.5 assign (segid A and resid 100 and name hb2) (segid A and resid 100 and name hn ) 1.8 0 1.5 assign (segid A and resid 100 and name hb1) (segid A and resid 100 and name ha ) 1.8 0 3.2 assign (segid A and resid 100 and name hb2) (segid A and resid 100 and name ha ) 1.8 0 3.2 assign (segid A and resid 99 and name ha ) (segid A and resid 100 and name hn ) 1.8 0 1.0 assign (segid A and resid 99 and name hb2 ) (segid A and resid 100 and name hn ) 2.5 0 1.5 !Phe101 assign (segid A and resid 101 and name ha ) (segid A and resid 101 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hb1) (segid A and resid 101 and name hn ) 1.8 0 1.5 assign (segid A and resid 101 and name hb2) (segid A and resid 101 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hd*) (segid A and resid 101 and name hn ) 1.8 0 3.7 assign (segid A and resid 101 and name hb1) (segid A and resid 101 and name ha ) 1.8 0 3.2 assign (segid A and resid 101 and name hb2) (segid A and resid 101 and name ha ) 1.8 0 1.0 assign (segid A and resid 101 and name hd*) (segid A and resid 101 and name ha ) 1.8 0 3.2 assign (segid A and resid 100 and name ha ) (segid A and resid 101 and name hd* ) 1.8 0 3.5 assign (segid A and resid 100 and name ha ) (segid A and resid 101 and name hn ) 1.8 0 1.0 assign (segid A and resid 100 and name hb1) (segid A and resid 101 and name hn ) 1.8 0 3.2 assign (segid A and resid 100 and name hb2) (segid A and resid 101 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hd*) (segid A and resid 101 and name hn ) 1.8 0 3.1 !Arg102 assign (segid A and resid 102 and name ha ) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 102 and name hb1) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 102 and name hb2) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 102 and name hb1) (segid A and resid 102 and name ha ) 1.8 0 3.2 assign (segid A and resid 102 and name hb2) (segid A and resid 102 and name ha ) 1.8 0 3.2 assign (segid A and resid 102 and name hg1) (segid A and resid 102 and name ha ) 1.8 0 1.5 assign (segid A and resid 102 and name hg2) (segid A and resid 102 and name ha ) 1.8 0 1.5 assign (segid A and resid 101 and name ha ) (segid A and resid 102 and name hn ) 1.8 0 1.0 assign (segid A and resid 101 and name hb1) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hb2) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hd*) (segid A and resid 102 and name hn ) 1.8 0 5.6 !Phe103 assign (segid A and resid 103 and name ha ) (segid A and resid 103 and name hn ) 1.8 0 3.2 assign (segid A and resid 103 and name hb2) (segid A and resid 103 and name hn ) 1.8 0 1.0 assign (segid A and resid 103 and name hb1) (segid A and resid 103 and name hn ) 1.8 0 3.2 assign (segid A and resid 103 and name hb1) (segid A and resid 103 and name ha ) 1.8 0 1.0 assign (segid A and resid 103 and name hb2) (segid A and resid 103 and name ha ) 1.8 0 3.2 assign (segid A and resid 103 and name hd*) (segid A and resid 103 and name hn ) 1.8 0 5.3 assign (segid A and resid 103 and name hd*) (segid A and resid 103 and name ha ) 1.8 0 5.3 assign (segid A and resid 102 and name ha ) (segid A and resid 103 and name hn ) 1.8 0 1.0 assign (segid A and resid 102 and name hb1) (segid A and resid 103 and name hn ) 1.8 0 3.2 assign (segid A and resid 102 and name hb2) (segid A and resid 103 and name hn ) 1.8 0 3.2 assign (segid A and resid 102 and name hg*) (segid A and resid 103 and name hn ) 1.8 0 4.2 !Asn104 assign (segid A and resid 104 and name ha ) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 104 and name hb1) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 104 and name hb2) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 104 and name hd21) (segid A and resid 104 and name hn ) 1.8 0 1.5 assign (segid A and resid 104 and name hd22) (segid A and resid 104 and name hn ) 1.8 0 1.5 assign (segid A and resid 104 and name hb1) (segid A and resid 104 and name ha ) 1.8 0 1.0 assign (segid A and resid 104 and name hb2) (segid A and resid 104 and name ha ) 1.8 0 1.0 assign (segid A and resid 103 and name ha ) (segid A and resid 104 and name hn ) 1.8 0 1.0 assign (segid A and resid 103 and name hb1) (segid A and resid 104 and name hn ) 1.8 0 1.5 assign (segid A and resid 103 and name hb2) (segid A and resid 104 and name hn ) 1.8 0 3.2 !Gly105 (NH not observed, loop segid A and residue) assign (segid A and resid 106 and name hb*) (segid A and resid 105 and name ha* ) 1.8 0 4.7 !Ala106 assign (segid A and resid 106 and name ha ) (segid A and resid 106 and name hn ) 1.8 0 1.0 assign (segid A and resid 106 and name hb*) (segid A and resid 106 and name hn ) 1.8 0 2.0 assign (segid A and resid 106 and name hb*) (segid A and resid 106 and name ha ) 1.8 0 2.0 assign (segid A and resid 105 and name ha*) (segid A and resid 106 and name hn ) 1.8 0 3.7 !Gly107 assign (segid A and resid 107 and name ha1) (segid A and resid 107 and name hn ) 1.8 0 2.0 assign (segid A and resid 107 and name ha2) (segid A and resid 107 and name hn ) 1.8 0 1.5 assign (segid A and resid 106 and name hn ) (segid A and resid 107 and name hn ) 1.8 0 1.0 assign (segid A and resid 106 and name ha ) (segid A and resid 107 and name hn ) 1.8 0 1.5 assign (segid A and resid 106 and name hb*) (segid A and resid 107 and name hn ) 1.8 0 2.5 !Lys108 assign (segid A and resid 108 and name ha ) (segid A and resid 108 and name hn ) 1.8 0 1.5 assign (segid A and resid 108 and name hb*) (segid A and resid 108 and name hn ) 1.8 0 3.7 assign (segid A and resid 108 and name hg1) (segid A and resid 108 and name hn ) 1.8 0 3.2 assign (segid A and resid 108 and name hg2) (segid A and resid 108 and name hn ) 1.8 0 3.2 assign (segid A and resid 108 and name hb*) (segid A and resid 108 and name ha ) 1.8 0 3.7 assign (segid A and resid 108 and name hg1) (segid A and resid 108 and name hn ) 1.8 0 3.2 assign (segid A and resid 108 and name hg2) (segid A and resid 108 and name hn ) 1.8 0 1.5 assign (segid A and resid 107 and name hn ) (segid A and resid 108 and name hn ) 1.8 0 1.0 assign (segid A and resid 107 and name ha1) (segid A and resid 108 and name hn ) 1.8 0 1.5 assign (segid A and resid 106 and name hn ) (segid A and resid 108 and name hn ) 1.8 0 3.2 assign (segid A and resid 106 and name ha ) (segid A and resid 108 and name hn ) 1.8 0 3.2 !Val109 assign (segid A and resid 109 and name ha ) (segid A and resid 109 and name hn ) 1.8 0 3.2 assign (segid A and resid 109 and name hb ) (segid A and resid 109 and name hn ) 1.8 0 1.0 assign (segid A and resid 109 and name hg1*) (segid A and resid 109 and name hn ) 1.8 0 4.2 assign (segid A and resid 109 and name hg2*) (segid A and resid 109 and name hn ) 1.8 0 2.5 assign (segid A and resid 109 and name hb ) (segid A and resid 109 and name ha ) 1.8 0 3.2 assign (segid A and resid 109 and name hg1*) (segid A and resid 109 and name ha ) 1.8 0 2.0 assign (segid A and resid 109 and name hg2*) (segid A and resid 109 and name ha ) 1.8 0 2.0 assign (segid A and resid 108 and name ha ) (segid A and resid 109 and name hn ) 1.8 0 1.0 assign (segid A and resid 108 and name hn ) (segid A and resid 109 and name hn ) 1.8 0 3.2 assign (segid A and resid 108 and name ha ) (segid A and resid 109 and name hg2*) 1.8 0 4.2 assign (segid A and resid 108 and name ha ) (segid A and resid 109 and name hb ) 1.8 0 3.2 !Val110 assign (segid A and resid 110 and name ha ) (segid A and resid 110 and name hn ) 1.8 0 3.2 assign (segid A and resid 110 and name hb ) (segid A and resid 110 and name hn ) 1.8 0 3.2 assign (segid A and resid 110 and name hg2*) (segid A and resid 110 and name hn ) 1.8 0 2.5 assign (segid A and resid 110 and name hb ) (segid A and resid 110 and name ha ) 1.8 0 3.2 assign (segid A and resid 110 and name hg1*) (segid A and resid 110 and name ha ) 1.8 0 2.0 assign (segid A and resid 110 and name hg2*) (segid A and resid 110 and name ha ) 1.8 0 2.0 assign (segid A and resid 109 and name ha ) (segid A and resid 110 and name hn ) 1.8 0 1.0 assign (segid A and resid 111 and name hn ) (segid A and resid 110 and name hn ) 1.8 0 1.0 !.....................................STRAND 8 (Lys119-His122).................... !Bulge (Gly117-N120), Gly117 is part of strand 7. !Gly117 assign (segid A and resid 117 and name ha2) (segid A and resid 117 and name hn ) 1.8 0 1.5 assign (segid A and resid 117 and name ha1) (segid A and resid 117 and name hn ) 1.8 0 1.0 assign (segid A and resid 116 and name hn ) (segid A and resid 117 and name hn ) 1.8 0 3.2 assign (segid A and resid 116 and name ha ) (segid A and resid 117 and name hn ) 1.8 0 1.0 assign (segid A and resid 116 and name hb1) (segid A and resid 117 and name hn ) 1.8 0 1.5 assign (segid A and resid 116 and name hd*) (segid A and resid 117 and name hn ) 1.8 0 5.3 assign (segid A and resid 116 and name he*) (segid A and resid 117 and name hn ) 1.8 0 5.3 !Glu118 assign (segid A and resid 118 and name ha ) (segid A and resid 118 and name hn ) 1.8 0 3.2 assign (segid A and resid 118 and name hb1) (segid A and resid 118 and name hn ) 1.8 0 1.0 assign (segid A and resid 118 and name hb2) (segid A and resid 118 and name hn ) 1.8 0 1.0 assign (segid A and resid 118 and name hg1) (segid A and resid 118 and name hn ) 1.8 0 3.2 assign (segid A and resid 118 and name hg2) (segid A and resid 118 and name hn ) 1.8 0 3.2 assign (segid A and resid 118 and name hb1) (segid A and resid 118 and name ha ) 1.8 0 3.2 assign (segid A and resid 118 and name hb2) (segid A and resid 118 and name ha ) 1.8 0 3.2 assign (segid A and resid 118 and name hg1) (segid A and resid 118 and name ha ) 1.8 0 1.0 assign (segid A and resid 118 and name hg2) (segid A and resid 118 and name ha ) 1.8 0 1.0 assign (segid A and resid 117 and name ha1) (segid A and resid 118 and name hn ) 1.8 0 1.5 assign (segid A and resid 117 and name ha2) (segid A and resid 118 and name hn ) 1.8 0 1.5 assign (segid A and resid 117 and name hn ) (segid A and resid 118 and name hn ) 1.8 0 3.2 !Lys119 assign (segid A and resid 119 and name ha ) (segid A and resid 119 and name hn ) 1.8 0 1.5 assign (segid A and resid 119 and name hb2) (segid A and resid 119 and name hn ) 1.8 0 3.2 assign (segid A and resid 119 and name hb1) (segid A and resid 119 and name hn ) 1.8 0 1.0 assign (segid A and resid 119 and name hg*) (segid A and resid 119 and name hn ) 1.8 0 3.7 assign (segid A and resid 119 and name hb1) (segid A and resid 119 and name ha ) 1.8 0 3.2 assign (segid A and resid 119 and name hb2) (segid A and resid 119 and name ha ) 1.8 0 1.5 assign (segid A and resid 119 and name hg1) (segid A and resid 119 and name ha ) 1.8 0 1.0 assign (segid A and resid 119 and name hg2) (segid A and resid 119 and name ha ) 1.8 0 1.0 assign (segid A and resid 118 and name ha ) (segid A and resid 119 and name hn ) 1.8 0 1.5 assign (segid A and resid 118 and name hg*) (segid A and resid 119 and name hn ) 1.8 0 3.7 assign (segid A and resid 118 and name hn ) (segid A and resid 119 and name hn ) 1.8 0 1.5 assign (segid A and resid 117 and name hn ) (segid A and resid 119 and name hn ) 1.8 0 3.2 !Asn120 assign (segid A and resid 120 and name ha ) (segid A and resid 120 and name hn ) 1.8 0 1.5 assign (segid A and resid 120 and name hb1) (segid A and resid 120 and name hn ) 1.8 0 1.5 assign (segid A and resid 120 and name hb2) (segid A and resid 120 and name hn ) 1.8 0 3.2 assign (segid A and resid 120 and name hb2) (segid A and resid 120 and name ha ) 1.8 0 1.5 assign (segid A and resid 120 and name hb2) (segid A and resid 120 and name ha ) 1.8 0 2.0 assign (segid A and resid 119 and name hn ) (segid A and resid 120 and name hn ) 1.8 0 1.0 assign (segid A and resid 119 and name ha ) (segid A and resid 120 and name hn ) 1.8 0 1.5 assign (segid A and resid 119 and name hb1) (segid A and resid 120 and name hn ) 1.8 0 3.2 assign (segid A and resid 119 and name hb2) (segid A and resid 120 and name hn ) 1.8 0 1.5 assign (segid A and resid 118 and name ha ) (segid A and resid 120 and name hn ) 1.8 0 3.2 assign (segid A and resid 117 and name hn ) (segid A and resid 120 and name hb1 ) 1.8 0 1.5 assign (segid A and resid 117 and name hn ) (segid A and resid 120 and name hb2 ) 1.8 0 1.5 !Ile121 assign (segid A and resid 121 and name ha ) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 121 and name hb ) (segid A and resid 121 and name hn ) 1.8 0 1.0 assign (segid A and resid 121 and name hg12) (segid A and resid 121 and name hn ) 1.8 0 1.5 assign (segid A and resid 121 and name hg11) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 121 and name hg2*) (segid A and resid 121 and name hn ) 1.8 0 4.2 assign (segid A and resid 121 and name hd*) (segid A and resid 121 and name hn ) 1.8 0 2.0 assign (segid A and resid 121 and name hb ) (segid A and resid 121 and name ha ) 1.8 0 3.2 assign (segid A and resid 121 and name hg12) (segid A and resid 121 and name ha ) 1.8 0 1.5 assign (segid A and resid 121 and name hg2*) (segid A and resid 121 and name ha ) 1.8 0 2.0 assign (segid A and resid 121 and name hd*) (segid A and resid 121 and name ha ) 1.8 0 4.2 assign (segid A and resid 121 and name hg2*) (segid A and resid 121 and name hb ) 1.8 0 2.0 assign (segid A and resid 121 and name hd*) (segid A and resid 121 and name hb ) 1.8 0 2.0 assign (segid A and resid 118 and name ha ) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 118 and name ha ) (segid A and resid 121 and name hd* ) 1.8 0 2.0 assign (segid A and resid 118 and name hg*) (segid A and resid 121 and name hd* ) 1.8 0 4.7 assign (segid A and resid 119 and name hn ) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 119 and name ha ) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 120 and name ha ) (segid A and resid 121 and name hn ) 1.8 0 3.2 assign (segid A and resid 120 and name hn ) (segid A and resid 121 and name hn ) 1.8 0 1.0 assign (segid A and resid 120 and name hn ) (segid A and resid 121 and name hd* ) 1.8 0 2.5 !........................STRAND 8 (H122-Ala125)............................. !His122 assign (segid A and resid 122 and name ha ) (segid A and resid 122 and name hn ) 1.8 0 1.5 assign (segid A and resid 122 and name hb*) (segid A and resid 122 and name hn ) 1.8 0 2.5 assign (segid A and resid 122 and name hb1) (segid A and resid 122 and name ha ) 1.8 0 1.0 assign (segid A and resid 122 and name hb2) (segid A and resid 122 and name ha ) 1.8 0 1.0 assign (segid A and resid 121 and name hn ) (segid A and resid 122 and name hn ) 1.8 0 3.2 assign (segid A and resid 121 and name ha ) (segid A and resid 122 and name hn ) 1.8 0 1.5 assign (segid A and resid 121 and name hb ) (segid A and resid 122 and name hn ) 1.8 0 2.5 assign (segid A and resid 121 and name hg11) (segid A and resid 122 and name hn ) 1.8 0 3.2 assign (segid A and resid 121 and name hg2*) (segid A and resid 122 and name hn ) 1.8 0 2.0 !Ala123 assign (segid A and resid 123 and name ha ) (segid A and resid 123 and name hn ) 1.8 0 3.2 assign (segid A and resid 123 and name hb*) (segid A and resid 123 and name hn ) 1.8 0 2.5 assign (segid A and resid 123 and name hb*) (segid A and resid 123 and name ha ) 1.8 0 2.0 assign (segid A and resid 122 and name ha ) (segid A and resid 123 and name hn ) 1.8 0 1.0 !Gly124 assign (segid A and resid 124 and name ha1) (segid A and resid 124 and name hn ) 1.8 0 3.2 assign (segid A and resid 124 and name ha2) (segid A and resid 124 and name hn ) 1.8 0 3.2 assign (segid A and resid 123 and name ha ) (segid A and resid 124 and name hn ) 1.8 0 1.0 assign (segid A and resid 123 and name hb*) (segid A and resid 124 and name hn ) 1.8 0 2.5 !Ala125 assign (segid A and resid 125 and name hb*) (segid A and resid 125 and name hn ) 1.8 0 2.5 assign (segid A and resid 125 and name ha ) (segid A and resid 125 and name hn ) 1.8 0 3.2 assign (segid A and resid 125 and name hb*) (segid A and resid 125 and name ha ) 1.8 0 2.0 assign (segid A and resid 124 and name ha1) (segid A and resid 125 and name hn ) 1.8 0 1.5 assign (segid A and resid 124 and name ha2) (segid A and resid 125 and name hn ) 1.8 0 1.5 !...........................LONG RANGE intra-molecular INTERACTION............................... !STRAND 8(Ile121-Ala125) To part of STRAND 6 !Hbonds for Strand 6-8 assign (segid A and resid 121 and name o ) (segid A and resid 96 and name n ) 2.5 0 3.5 assign (segid A and resid 121 and name o ) (segid A and resid 96 and name hn ) 1.5 0 2.5 assign (segid A and resid 122 and name n ) (segid A and resid 94 and name o ) 2.5 0 3.5 assign (segid A and resid 122 and name hn ) (segid A and resid 94 and name o ) 1.5 0 2.5 assign (segid A and resid 122 and name o ) (segid A and resid 94 and name n ) 2.5 0 3.5 assign (segid A and resid 122 and name o ) (segid A and resid 94 and name hn ) 1.5 0 2.5 assign (segid A and resid 124 and name n ) (segid A and resid 92 and name o ) 2.5 0 3.5 assign (segid A and resid 124 and name hn ) (segid A and resid 92 and name o ) 1.5 0 2.5 assign (segid A and resid 124 and name o ) (segid A and resid 92 and name n ) 2.5 0 3.5 assign (segid A and resid 124 and name o ) (segid A and resid 92 and name hn ) 1.5 0 2.5 !Long Range Noes for Strand 6-8 assign (segid A and resid 96 and name hn ) (segid A and resid 120 and name hb1 ) 1.8 0 3.2 assign (segid A and resid 96 and name hn ) (segid A and resid 120 and name hb2 ) 1.8 0 3.2 assign (segid A and resid 96 and name hb* ) (segid A and resid 120 and name hb1 ) 1.8 0 4.2 assign (segid A and resid 96 and name hb* ) (segid A and resid 120 and name hb2 ) 1.8 0 4.2 assign (segid A and resid 96 and name hn ) (segid A and resid 121 and name ha ) 1.8 0 3.2 assign (segid A and resid 95 and name ha ) (segid A and resid 121 and name ha ) 1.8 0 1.0 assign (segid A and resid 95 and name hg2*) (segid A and resid 121 and name ha ) 1.8 0 3.2 assign (segid A and resid 95 and name hg2*) (segid A and resid 121 and name hg* ) 1.8 0 3.7 assign (segid A and resid 95 and name hg2*) (segid A and resid 121 and name hd* ) 1.8 0 5.2 assign (segid A and resid 95 and name ha ) (segid A and resid 121 and name hg* ) 1.8 0 3.7 assign (segid A and resid 94 and name hn ) (segid A and resid 121 and name hg2*) 1.8 0 4.2 assign (segid A and resid 94 and name hn ) (segid A and resid 122 and name hn ) 1.8 0 3.2 assign (segid A and resid 95 and name ha ) (segid A and resid 122 and name hn ) 1.8 0 3.2 assign (segid A and resid 95 and name hg2*) (segid A and resid 122 and name hn ) 1.8 0 4.2 assign (segid A and resid 93 and name ha ) (segid A and resid 123 and name ha ) 1.8 0 1.5 assign (segid A and resid 93 and name hg2*) (segid A and resid 123 and name ha ) 1.8 0 4.2 assign (segid A and resid 93 and name hg2*) (segid A and resid 123 and name hb* ) 1.8 0 3.5 assign (segid A and resid 93 and name ha ) (segid A and resid 123 and name hb* ) 1.8 0 4.2 assign (segid A and resid 93 and name hg2*) (segid A and resid 124 and name hn ) 1.8 0 4.2 assign (segid A and resid 94 and name hn ) (segid A and resid 123 and name ha ) 1.8 0 3.2 !...............................STRAND 3 and 5.................................. !Hbonds for Strand 3-5 (Pro62-L67, F82-e87) assign (segid A and resid 64 and name n ) (segid A and resid 85 and name o ) 2.5 0 3.5 assign (segid A and resid 64 and name hn ) (segid A and resid 85 and name o ) 1.5 0 2.5 assign (segid A and resid 64 and name o ) (segid A and resid 85 and name n ) 2.5 0 3.5 assign (segid A and resid 64 and name o ) (segid A and resid 85 and name hn ) 1.5 0 2.5 assign (segid A and resid 66 and name n ) (segid A and resid 83 and name o ) 2.5 0 3.5 assign (segid A and resid 66 and name hn ) (segid A and resid 83 and name o ) 1.5 0 2.5 assign (segid A and resid 66 and name o ) (segid A and resid 83 and name n ) 2.5 0 3.5 assign (segid A and resid 66 and name o ) (segid A and resid 83 and name hn ) 1.5 0 2.5 !Long Range Noes assign (segid A and resid 86 and name ha ) (segid A and resid 63 and name ha ) 1.8 0 1.0 assign (segid A and resid 86 and name hd* ) (segid A and resid 63 and name ha ) 1.8 0 5.3 assign (segid A and resid 86 and name hb1 ) (segid A and resid 63 and name ha ) 1.8 0 3.2 assign (segid A and resid 86 and name hb2 ) (segid A and resid 63 and name ha ) 1.8 0 3.2 assign (segid A and resid 86 and name ha ) (segid A and resid 63 and name hd2* ) 1.8 0 4.2 assign (segid A and resid 86 and name hb2 ) (segid A and resid 63 and name hd2* ) 1.8 0 2.5 assign (segid A and resid 86 and name hb1 ) (segid A and resid 63 and name hd2* ) 1.8 0 4.2 assign (segid A and resid 86 and name hd* ) (segid A and resid 63 and name hd2* ) 1.8 0 4.1 assign (segid A and resid 84 and name hg2*) (segid A and resid 63 and name hd2* ) 1.8 0 3.5 assign (segid A and resid 85 and name hn ) (segid A and resid 64 and name hn ) 1.8 0 1.5 assign (segid A and resid 85 and name hb* ) (segid A and resid 64 and name hn ) 1.8 0 3.7 assign (segid A and resid 86 and name ha ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 86 and name hb1 ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 86 and name hb2 ) (segid A and resid 64 and name hn ) 1.8 0 3.2 assign (segid A and resid 84 and name hg1*) (segid A and resid 64 and name hn ) 1.8 0 4.2 assign (segid A and resid 84 and name ha ) (segid A and resid 65 and name ha ) 1.8 0 1.5 assign (segid A and resid 84 and name hg1*) (segid A and resid 65 and name ha ) 1.8 0 4.2 assign (segid A and resid 84 and name hg2*) (segid A and resid 65 and name ha ) 1.8 0 4.2 assign (segid A and resid 84 and name ha ) (segid A and resid 65 and name hg1* ) 1.8 0 4.2 assign (segid A and resid 84 and name ha ) (segid A and resid 65 and name hg2* ) 1.8 0 4.2 assign (segid A and resid 85 and name hn ) (segid A and resid 65 and name ha ) 1.8 0 3.2 !65methyls should see 84methyl strong, but they overlap assign (segid A and resid 83 and name hn ) (segid A and resid 66 and name hn ) 1.8 0 3.2 assign (segid A and resid 83 and name hn ) (segid A and resid 67 and name ha ) 1.8 0 3.2 assign (segid A and resid 84 and name ha ) (segid A and resid 66 and name hn ) 1.8 0 3.2 assign (segid A and resid 82 and name ha ) (segid A and resid 67 and name ha ) 1.8 0 1.0 assign (segid A and resid 82 and name ha ) (segid A and resid 67 and name hd* ) 1.8 0 5.0 assign (segid A and resid 82 and name hb1 ) (segid A and resid 67 and name ha ) 1.8 0 1.5 assign (segid A and resid 82 and name hb2 ) (segid A and resid 67 and name ha ) 1.8 0 1.5 assign (segid A and resid 82 and name hd* ) (segid A and resid 67 and name ha ) 1.8 0 5.3 assign (segid A and resid 82 and name ha ) (segid A and resid 68 and name hg2* ) 1.8 0 3.6 !...............................STRANDS 4 and 5.................................. !Hbonds for Strand 3-5 (V71-A71, E77-F80) assign (segid A and resid 72 and name n ) (segid A and resid 79 and name o ) 2.5 0 3.5 assign (segid A and resid 72 and name hn ) (segid A and resid 79 and name o ) 1.5 0 2.5 assign (segid A and resid 72 and name o ) (segid A and resid 79 and name n ) 2.5 0 3.5 assign (segid A and resid 72 and name o ) (segid A and resid 79 and name hn ) 1.5 0 2.5 assign (segid A and resid 74 and name n ) (segid A and resid 77 and name o ) 2.5 0 3.5 assign (segid A and resid 74 and name hn ) (segid A and resid 77 and name o ) 1.5 0 2.5 assign (segid A and resid 74 and name o ) (segid A and resid 77 and name n ) 2.5 0 3.5 assign (segid A and resid 74 and name o ) (segid A and resid 77 and name hn ) 1.5 0 2.5 !Long Range Noes assign (segid A and resid 109 and name hg2*) (segid A and resid 101 and name hd*) 1.8 0 4.6 assign (segid A and resid 109 and name hg2*) (segid A and resid 101 and name he*) 1.8 0 6.3 assign (segid A and resid 80 and name ha ) (segid A and resid 71 and name ha ) 1.8 0 1.0 assign (segid A and resid 80 and name hb1 ) (segid A and resid 71 and name ha ) 1.8 0 1.5 assign (segid A and resid 80 and name hb2 ) (segid A and resid 71 and name ha ) 1.8 0 1.5 assign (segid A and resid 80 and name hd* ) (segid A and resid 71 and name ha ) 1.8 0 5.3 assign (segid A and resid 80 and name hb2) (segid A and resid 71 and name hg1*) 1.8 0 2.5 assign (segid A and resid 80 and name hb1) (segid A and resid 71 and name hg2*) 1.8 0 2.5 assign (segid A and resid 80 and name ha ) (segid A and resid 71 and name hg2*) 1.8 0 4.2 assign (segid A and resid 81 and name hn ) (segid A and resid 71 and name hg2*) 1.8 0 4.2 assign (segid A and resid 79 and name hn ) (segid A and resid 72 and name hn ) 1.8 0 3.2 assign (segid A and resid 79 and name ha ) (segid A and resid 72 and name hn ) 1.8 0 3.2 assign (segid A and resid 80 and name hb2 ) (segid A and resid 72 and name hn ) 1.8 0 1.5 assign (segid A and resid 80 and name hb1 ) (segid A and resid 72 and name hn ) 1.8 0 3.2 assign (segid A and resid 78 and name ha ) (segid A and resid 73 and name ha ) 1.8 0 1.0 assign (segid A and resid 78 and name hb* ) (segid A and resid 73 and name ha ) 1.8 0 2.5 assign (segid A and resid 78 and name ha ) (segid A and resid 73 and name hb*) 1.8 0 2.5 assign (segid A and resid 78 and name hb* ) (segid A and resid 73 and name hb*) 1.8 0 2.5 assign (segid A and resid 78 and name hb* ) (segid A and resid 103 and name he*) 1.8 0 4.6 assign (segid A and resid 79 and name hn ) (segid A and resid 73 and name ha ) 1.8 0 1.5 assign (segid A and resid 77 and name hn ) (segid A and resid 74 and name hn ) 1.8 0 3.2 assign (segid A and resid 78 and name ha ) (segid A and resid 74 and name hn ) 1.8 0 1.5 assign (segid A and resid 78 and name hb* ) (segid A and resid 74 and name hn ) 1.8 0 4.2 assign (segid A and resid 77 and name hn ) (segid A and resid 75 and name ha ) 1.8 0 3.2 !..............................STRANDS 5 and 6..................................... ! Hbonds for Strands 5-6 (E75-Q89, N91-F103) assign (segid A and resid 78 and name n ) (segid A and resid 101 and name o ) 2.5 0 3.5 assign (segid A and resid 78 and name hn ) (segid A and resid 101 and name o ) 1.5 0 2.5 assign (segid A and resid 78 and name o ) (segid A and resid 101 and name n ) 2.5 0 3.5 assign (segid A and resid 78 and name o ) (segid A and resid 101 and name hn) 1.5 0 2.5 assign (segid A and resid 80 and name n ) (segid A and resid 99 and name o ) 2.5 0 3.5 assign (segid A and resid 80 and name hn ) (segid A and resid 99 and name o ) 1.5 0 2.5 assign (segid A and resid 80 and name o ) (segid A and resid 99 and name n ) 2.5 0 3.5 assign (segid A and resid 80 and name o ) (segid A and resid 99 and name hn ) 1.5 0 2.5 assign (segid A and resid 82 and name n ) (segid A and resid 97 and name o ) 2.5 0 3.5 assign (segid A and resid 82 and name hn ) (segid A and resid 97 and name o ) 1.5 0 2.5 assign (segid A and resid 84 and name n ) (segid A and resid 95 and name o ) 2.5 0 3.5 assign (segid A and resid 84 and name hn ) (segid A and resid 95 and name o ) 1.5 0 2.5 assign (segid A and resid 84 and name o ) (segid A and resid 95 and name n ) 2.5 0 3.5 assign (segid A and resid 84 and name o ) (segid A and resid 95 and name hn ) 1.5 0 2.5 assign (segid A and resid 86 and name n ) (segid A and resid 93 and name o ) 2.5 0 3.5 assign (segid A and resid 86 and name hn ) (segid A and resid 93 and name o ) 1.5 0 2.5 assign (segid A and resid 86 and name o ) (segid A and resid 93 and name n ) 2.5 0 3.5 assign (segid A and resid 86 and name o ) (segid A and resid 93 and name hn ) 1.5 0 2.5 assign (segid A and resid 88 and name n ) (segid A and resid 91 and name o ) 2.5 0 3.5 assign (segid A and resid 88 and name hn ) (segid A and resid 91 and name o ) 1.5 0 2.5 !Long Range Noes, Strand 5-6 assign (segid A and resid 102 and name ha ) (segid A and resid 77 and name ha ) 1.8 0 1.0 assign (segid A and resid 102 and name hb1) (segid A and resid 77 and name ha ) 1.8 0 3.2 assign (segid A and resid 102 and name hb2) (segid A and resid 77 and name ha ) 1.8 0 3.2 assign (segid A and resid 102 and name hg*) (segid A and resid 77 and name ha ) 1.8 0 3.7 assign (segid A and resid 103 and name hn ) (segid A and resid 77 and name ha ) 1.8 0 1.5 assign (segid A and resid 103 and name hn ) (segid A and resid 77 and name hb1) 1.8 0 3.2 assign (segid A and resid 102 and name ha) (segid A and resid 77 and name hb1) 1.8 0 3.2 assign (segid A and resid 102 and name ha) (segid A and resid 77 and name hb2) 1.8 0 3.2 assign (segid A and resid 102 and name ha) (segid A and resid 77 and name hg1) 1.8 0 1.5 assign (segid A and resid 102 and name ha) (segid A and resid 77 and name hg2) 1.8 0 1.5 assign (segid A and resid 102 and name ha ) (segid A and resid 78 and name hn ) 1.8 0 3.2 assign (segid A and resid 101 and name hb1) (segid A and resid 78 and name hn ) 1.8 0 1.5 assign (segid A and resid 100 and name ha ) (segid A and resid 79 and name ha ) 1.8 0 1.0 assign (segid A and resid 100 and name hb1) (segid A and resid 79 and name ha ) 1.8 0 3.2 assign (segid A and resid 100 and name hb2) (segid A and resid 79 and name ha ) 1.8 0 3.2 assign (segid A and resid 100 and name ha ) (segid A and resid 79 and name hb*) 1.8 0 2.5 assign (segid A and resid 101 and name hn ) (segid A and resid 79 and name ha ) 1.8 0 3.2 assign (segid A and resid 101 and name hn ) (segid A and resid 79 and name hb*) 1.8 0 4.2 assign (segid A and resid 101 and name hn ) (segid A and resid 78 and name hn ) 1.8 0 1.5 assign (segid A and resid 101 and name hz ) (segid A and resid 80 and name hz ) 1.8 0 3.2 assign (segid A and resid 100 and name ha ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 99 and name hn ) (segid A and resid 80 and name hn ) 1.8 0 1.5 assign (segid A and resid 99 and name hb1 ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 99 and name hb2 ) (segid A and resid 80 and name hn ) 1.8 0 3.2 assign (segid A and resid 99 and name hb1 ) (segid A and resid 80 and name hd*) 1.8 0 5.6 assign (segid A and resid 99 and name hb2 ) (segid A and resid 80 and name hd*) 1.8 0 5.6 assign (segid A and resid 99 and name hb1 ) (segid A and resid 80 and name hz ) 1.8 0 3.2 assign (segid A and resid 99 and name hb2 ) (segid A and resid 80 and name hz ) 1.8 0 3.2 assign (segid A and resid 98 and name hg2*) (segid A and resid 80 and name hn ) 1.8 0 2.5 assign (segid A and resid 98 and name hg2*) (segid A and resid 80 and name ha ) 1.8 0 2.5 assign (segid A and resid 98 and name ha ) (segid A and resid 81 and name ha ) 1.8 0 1.0 assign (segid A and resid 98 and name hg2*) (segid A and resid 81 and name ha ) 1.8 0 4.2 assign (segid A and resid 98 and name hd* ) (segid A and resid 81 and name ha ) 1.8 0 4.2 assign (segid A and resid 98 and name hg1*) (segid A and resid 81 and name ha ) 1.8 0 2.0 assign (segid A and resid 98 and name ha ) (segid A and resid 81 and name hb*) 1.8 0 2.5 assign (segid A and resid 98 and name hg1*) (segid A and resid 81 and name hb*) 1.8 0 3.0 assign (segid A and resid 98 and name hg2*) (segid A and resid 81 and name hb*) 1.8 0 3.0 assign (segid A and resid 98 and name hd* ) (segid A and resid 81 and name hb*) 1.8 0 3.5 assign (segid A and resid 98 and name ha ) (segid A and resid 82 and name hn ) 1.8 0 3.2 assign (segid A and resid 96 and name ha ) (segid A and resid 83 and name ha ) 1.8 0 1.0 assign (segid A and resid 96 and name hb* ) (segid A and resid 83 and name ha ) 1.8 0 4.2 assign (segid A and resid 96 and name ha ) (segid A and resid 83 and name hg2*) 1.8 0 2.0 assign (segid A and resid 96 and name hb* ) (segid A and resid 83 and name hg2*) 1.8 0 3.5 assign (segid A and resid 95 and name hn ) (segid A and resid 84 and name hn ) 1.8 0 1.5 assign (segid A and resid 96 and name ha ) (segid A and resid 84 and name hn ) 1.8 0 3.2 assign (segid A and resid 95 and name hb ) (segid A and resid 84 and name hn ) 1.8 0 1.5 assign (segid A and resid 96 and name hb* ) (segid A and resid 84 and name hn ) 1.8 0 4.2 assign (segid A and resid 95 and name hg1*) (segid A and resid 84 and name hn ) 1.8 0 2.5 assign (segid A and resid 95 and name hn ) (segid A and resid 85 and name ha ) 1.8 0 2.0 assign (segid A and resid 94 and name ha ) (segid A and resid 85 and name ha ) 1.8 0 1.0 assign (segid A and resid 94 and name hb ) (segid A and resid 85 and name ha ) 1.8 0 3.2 assign (segid A and resid 94 and name hg2*) (segid A and resid 85 and name ha ) 1.8 0 2.0 assign (segid A and resid 94 and name ha ) (segid A and resid 85 and name hb*) 1.8 0 4.2 assign (segid A and resid 95 and name hn ) (segid A and resid 85 and name hb*) 1.8 0 3.7 assign (segid A and resid 95 and name hg2*) (segid A and resid 86 and name he*) 1.8 0 4.1 assign (segid A and resid 94 and name hg2*) (segid A and resid 85 and name hb*) 1.8 0 2.0 assign (segid A and resid 94 and name ha ) (segid A and resid 86 and name hn ) 1.8 0 3.2 assign (segid A and resid 94 and name hg2*) (segid A and resid 86 and name hn ) 1.8 0 4.9 assign (segid A and resid 93 and name hn ) (segid A and resid 86 and name hn ) 1.8 0 3.2 assign (segid A and resid 93 and name hg2*) (segid A and resid 86 and name he*) 1.8 0 4.1 assign (segid A and resid 93 and name hb ) (segid A and resid 86 and name he*) 1.8 0 3.6 assign (segid A and resid 93 and name hb ) (segid A and resid 88 and name he*) 1.8 0 3.1 assign (segid A and resid 93 and name hn ) (segid A and resid 87 and name ha ) 1.8 0 2.0 assign (segid A and resid 93 and name hn ) (segid A and resid 87 and name hb*) 1.8 0 3.7 assign (segid A and resid 92 and name ha ) (segid A and resid 87 and name ha ) 1.8 0 1.5 assign (segid A and resid 92 and name ha ) (segid A and resid 87 and name hb*) 1.8 0 4.2 assign (segid A and resid 92 and name ha ) (segid A and resid 88 and name hn ) 1.8 0 2.0 assign (segid A and resid 91 and name hn ) (segid A and resid 88 and name hn ) 1.8 0 3.2 assign (segid A and resid 92 and name hb* ) (segid A and resid 88 and name hn ) 1.8 0 3.2 assign (segid A and resid 87 and name hg* ) (segid A and resid 91 and name hn ) 1.8 0 3.2 !.................................STRANDS 6 and 7............................. !Hbonds between strands 6 and 7 (I98-R102, S111-F116) assign (segid A and resid 111 and name n ) (segid A and resid 102 and name o ) 2.5 0 3.5 assign (segid A and resid 111 and name hn ) (segid A and resid 102 and name o ) 1.5 0 2.5 assign (segid A and resid 111 and name o ) (segid A and resid 102 and name n ) 2.5 0 3.5 assign (segid A and resid 111 and name o ) (segid A and resid 102 and name hn) 1.5 0 2.5 assign (segid A and resid 113 and name n ) (segid A and resid 100 and name o ) 2.5 0 3.5 assign (segid A and resid 113 and name hn ) (segid A and resid 100 and name o ) 1.5 0 2.5 assign (segid A and resid 113 and name o ) (segid A and resid 100 and name n ) 2.5 0 3.5 assign (segid A and resid 113 and name o ) (segid A and resid 100 and name hn) 1.5 0 2.5 assign (segid A and resid 115 and name n ) (segid A and resid 98 and name o ) 2.5 0 3.5 assign (segid A and resid 115 and name hn ) (segid A and resid 98 and name o ) 1.5 0 2.5 assign (segid A and resid 115 and name o ) (segid A and resid 98 and name n ) 2.5 0 3.5 assign (segid A and resid 115 and name o ) (segid A and resid 98 and name hn ) 1.5 0 2.5 !long Range Noes assign (segid A and resid 116 and name hd*) (segid A and resid 121 and name hd*) 1.8 0 5.3 assign (segid A and resid 116 and name he*) (segid A and resid 121 and name hd*) 1.8 0 4.1 assign (segid A and resid 116 and name hd*) (segid A and resid 95 and name hg1*) 1.8 0 4.1 assign (segid A and resid 116 and name ha ) (segid A and resid 97 and name ha ) 1.8 0 3.2 assign (segid A and resid 116 and name hb1) (segid A and resid 97 and name ha ) 1.8 0 3.2 assign (segid A and resid 116 and name hb2) (segid A and resid 97 and name ha ) 1.8 0 3.2 assign (segid A and resid 116 and name hd*) (segid A and resid 97 and name ha ) 1.8 0 5.3 assign (segid A and resid 115 and name hn ) (segid A and resid 98 and name hn ) 1.8 0 3.2 assign (segid A and resid 116 and name ha ) (segid A and resid 98 and name hn ) 1.8 0 3.2 assign (segid A and resid 114 and name ha ) (segid A and resid 99 and name ha ) 1.8 0 1.0 assign (segid A and resid 114 and name hb*) (segid A and resid 99 and name ha ) 1.8 0 4.2 assign (segid A and resid 115 and name hn ) (segid A and resid 99 and name ha ) 1.8 0 1.5 assign (segid A and resid 115 and name hn ) (segid A and resid 100 and name hn) 1.8 0 3.2 assign (segid A and resid 113 and name hn ) (segid A and resid 100 and name hn) 1.8 0 1.5 assign (segid A and resid 114 and name ha ) (segid A and resid 100 and name hn) 1.8 0 3.2 assign (segid A and resid 112 and name hg1) (segid A and resid 100 and name hn) 1.8 0 3.2 assign (segid A and resid 101 and name hd*) (segid A and resid 100 and name hn) 1.8 0 5.3 assign (segid A and resid 101 and name hd*) (segid A and resid 100 and name ha) 1.8 0 5.3 assign (segid A and resid 112 and name ha ) (segid A and resid 101 and name ha) 1.8 0 1.0 assign (segid A and resid 113 and name hn ) (segid A and resid 101 and name ha) 1.8 0 3.2 assign (segid A and resid 113 and name hn ) (segid A and resid 101 and name hd*) 1.8 0 5.3 assign (segid A and resid 112 and name hg1) (segid A and resid 101 and name hd*) 1.8 0 3.6 assign (segid A and resid 112 and name hg2) (segid A and resid 101 and name hd*) 1.8 0 3.6 assign (segid A and resid 112 and name hg1) (segid A and resid 101 and name he*) 1.8 0 3.6 assign (segid A and resid 112 and name hg2) (segid A and resid 101 and name he*) 1.8 0 3.6 assign (segid A and resid 112 and name ha ) (segid A and resid 101 and name hd*) 1.8 0 3.6 assign (segid A and resid 111 and name hn ) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 112 and name ha ) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 111 and name hb*) (segid A and resid 102 and name hn ) 1.8 0 3.2 assign (segid A and resid 111 and name hn ) (segid A and resid 102 and name hb1) 1.8 0 3.2 assign (segid A and resid 111 and name hn ) (segid A and resid 102 and name hb2) 1.8 0 3.2 assign (segid A and resid 112 and name hg1) (segid A and resid 102 and name hn ) 1.8 0 1.5 assign (segid A and resid 112 and name hg2) (segid A and resid 102 and name hn ) 2.5 0 3.2 assign (segid A and resid 109 and name ha ) (segid A and resid 103 and name ha ) 1.8 0 1.0 assign (segid A and resid 109 and name hg1*) (segid A and resid 103 and name ha) 1.8 0 4.2 assign (segid A and resid 109 and name hg2*) (segid A and resid 103 and name ha) 1.8 0 4.2 assign (segid A and resid 110 and name hn ) (segid A and resid 103 and name ha ) 1.8 0 1.5 assign (segid A and resid 110 and name hg2*) (segid A and resid 103 and name ha) 1.8 0 4.2 assign (segid A and resid 111 and name hn ) (segid A and resid 103 and name ha ) 1.8 0 3.2 assign (segid A and resid 110 and name hn ) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 107 and name hn ) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 109 and name ha ) (segid A and resid 104 and name hn ) 1.8 0 3.2 assign (segid A and resid 108 and name hn ) (segid A and resid 104 and name hn ) 1.8 0 3.2 !............................Coil 1 (1-4)..................................... !Met1 assign (segid A and resid 1 and name hb* ) (segid A and resid 1 and name ha ) 1.8 0 1.5 assign (segid A and resid 1 and name hg* ) (segid A and resid 1 and name ha ) 1.8 0 3.7 !Asn2 assign (segid A and resid 2 and name hb1 ) (segid A and resid 2 and name ha ) 1.8 0 2.5 assign (segid A and resid 2 and name hb2 ) (segid A and resid 2 and name ha ) 1.8 0 2.5 !Thr3 assign (segid A and resid 3 and name hb ) (segid A and resid 3 and name hn ) 1.8 0 1.0 assign (segid A and resid 3 and name hg2* ) (segid A and resid 3 and name hn ) 1.8 0 4.2 assign (segid A and resid 3 and name hb ) (segid A and resid 3 and name ha ) 1.8 0 1.0 assign (segid A and resid 3 and name hg2* ) (segid A and resid 3 and name ha ) 1.8 0 2.5 assign (segid A and resid 2 and name ha ) (segid A and resid 3 and name hn ) 1.8 0 1.0 assign (segid A and resid 2 and name hb1 ) (segid A and resid 3 and name hn ) 1.8 0 3.2 assign (segid A and resid 2 and name hb2 ) (segid A and resid 3 and name hn ) 1.8 0 3.2 !............................Helix I.................................... !Pro4 assign (segid A and resid 4 and name hb1 ) (segid A and resid 4 and name ha ) 1.8 0 3.2 assign (segid A and resid 4 and name hb2 ) (segid A and resid 4 and name ha ) 1.8 0 1.5 assign (segid A and resid 4 and name hg1 ) (segid A and resid 4 and name ha ) 1.8 0 3.2 assign (segid A and resid 3 and name ha ) (segid A and resid 4 and name hd1 ) 1.8 0 1.0 assign (segid A and resid 3 and name ha ) (segid A and resid 4 and name hd2 ) 1.8 0 1.0 assign (segid A and resid 3 and name ha ) (segid A and resid 4 and name hg1 ) 1.8 0 3.2 assign (segid A and resid 3 and name ha ) (segid A and resid 4 and name hg2 ) 1.8 0 3.2 !Glu5 assign (segid A and resid 5 and name ha ) (segid A and resid 5 and name hn ) 1.8 0 1.5 assign (segid A and resid 5 and name hg1 ) (segid A and resid 5 and name hn ) 1.8 0 3.2 assign (segid A and resid 5 and name hg2 ) (segid A and resid 5 and name hn ) 1.8 0 3.2 assign (segid A and resid 5 and name hb1 ) (segid A and resid 5 and name hn ) 1.8 0 3.2 assign (segid A and resid 5 and name hb2 ) (segid A and resid 5 and name hn ) 1.8 0 1.5 assign (segid A and resid 5 and name hg1 ) (segid A and resid 5 and name ha ) 1.8 0 1.5 assign (segid A and resid 5 and name hg2 ) (segid A and resid 5 and name ha ) 1.8 0 1.5 assign (segid A and resid 4 and name ha ) (segid A and resid 5 and name hn ) 1.8 0 3.2 assign (segid A and resid 3 and name ha ) (segid A and resid 5 and name hn ) 1.8 0 1.5 !His6 assign (segid A and resid 6 and name hb* ) (segid A and resid 6 and name hn ) 1.8 0 2.0 assign (segid A and resid 6 and name hb* ) (segid A and resid 6 and name ha ) 1.8 0 4.2 !Met7 assign (segid A and resid 7 and name he* ) (segid A and resid 7 and name hn ) 1.8 0 2.5 assign (segid A and resid 7 and name hb1 ) (segid A and resid 7 and name hn ) 1.8 0 1.5 assign (segid A and resid 7 and name hb2 ) (segid A and resid 7 and name hn ) 1.8 0 3.2 assign (segid A and resid 7 and name hg1 ) (segid A and resid 7 and name hn ) 1.8 0 1.5 assign (segid A and resid 7 and name hg2 ) (segid A and resid 7 and name hn ) 1.8 0 1.5 assign (segid A and resid 7 and name hg1 ) (segid A and resid 7 and name ha ) 1.8 0 1.5 assign (segid A and resid 7 and name hg2 ) (segid A and resid 7 and name ha ) 1.8 0 1.5 assign (segid A and resid 7 and name hb1 ) (segid A and resid 7 and name ha ) 1.8 0 3.2 assign (segid A and resid 7 and name hb2 ) (segid A and resid 7 and name ha ) 1.8 0 3.2 assign (segid A and resid 7 and name he* ) (segid A and resid 7 and name ha ) 1.8 0 4.3 !Thr8 assign (segid A and resid 8 and name hb ) (segid A and resid 8 and name hn ) 1.8 0 1.0 assign (segid A and resid 8 and name hg2* ) (segid A and resid 8 and name hn ) 1.8 0 4.2 assign (segid A and resid 8 and name hb ) (segid A and resid 8 and name ha ) 1.8 0 3.2 assign (segid A and resid 8 and name hg2* ) (segid A and resid 8 and name ha ) 1.8 0 2.0 !Ala9 assign (segid A and resid 9 and name hb* ) (segid A and resid 9 and name hn ) 1.8 0 2.0 assign (segid A and resid 9 and name hb* ) (segid A and resid 9 and name ha ) 1.8 0 2.0 assign (segid A and resid 8 and name hg2* ) (segid A and resid 9 and name hn ) 1.8 0 2.5 assign (segid A and resid 8 and name hg2* ) (segid A and resid 9 and name ha ) 1.8 0 4.2 assign (segid A and resid 8 and name hb ) (segid A and resid 9 and name hn ) 1.8 0 1.5 assign (segid A and resid 8 and name hg2* ) (segid A and resid 9 and name ha ) 1.8 0 2.5 !Val10 assign (segid A and resid 10 and name hb ) (segid A and resid 10 and name hn ) 1.8 0 1.0 assign (segid A and resid 10 and name hg1*) (segid A and resid 10 and name hn ) 1.8 0 4.2 assign (segid A and resid 10 and name hg2*) (segid A and resid 10 and name hn ) 1.8 0 2.0 assign (segid A and resid 10 and name hg1*)(segid A and resid 10 and name ha ) 1.8 0 2.0 assign (segid A and resid 10 and name hg2*)(segid A and resid 10 and name ha ) 1.8 0 2.0 assign (segid A and resid 10 and name hb ) (segid A and resid 10 and name ha ) 1.8 0 3.2 assign (segid A and resid 9 and name hb* ) (segid A and resid 10 and name ha ) 2.5 0 4.2 assign (segid A and resid 9 and name hb* ) (segid A and resid 10 and name hn ) 1.8 0 2.0 !Val11 assign (segid A and resid 11 and name hb ) (segid A and resid 11 and name hn ) 1.8 0 1.0 assign (segid A and resid 11 and name hg2*) (segid A and resid 11 and name hn ) 1.8 0 2.0 assign (segid A and resid 11 and name hg1*) (segid A and resid 11 and name hn ) 1.8 0 4.2 assign (segid A and resid 11 and name hg1*) (segid A and resid 11 and name ha ) 1.8 0 2.0 assign (segid A and resid 11 and name hg2*) (segid A and resid 11 and name ha ) 1.8 0 2.0 assign (segid A and resid 11 and name hb ) (segid A and resid 11 and name ha ) 1.8 0 3.2 assign (segid A and resid 10 and name hg1*) (segid A and resid 11 and name ha ) 1.8 0 3.2 assign (segid A and resid 10 and name hb ) (segid A and resid 11 and name hn ) 1.8 0 1.5 assign (segid A and resid 10 and name hg1*) (segid A and resid 11 and name hn ) 1.8 0 2.5 assign (segid A and resid 10 and name hg2*) (segid A and resid 11 and name hn ) 1.8 0 4.2 assign (segid A and resid 10 and name hg1*) (segid A and resid 11 and name hg2*) 1.8 0 4.2 !Gln12 assign (segid A and resid 12 and name hb1 ) (segid A and resid 12 and name hn ) 1.8 0 1.0 assign (segid A and resid 12 and name hb2 ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hg1 ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hg2 ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hg1 ) (segid A and resid 12 and name ha ) 1.8 0 1.0 assign (segid A and resid 12 and name hg2 ) (segid A and resid 12 and name ha ) 1.8 0 1.0 assign (segid A and resid 12 and name hb1 ) (segid A and resid 12 and name ha ) 1.8 0 3.2 assign (segid A and resid 12 and name hb2 ) (segid A and resid 12 and name ha ) 1.8 0 3.2 assign (segid A and resid 11 and name hg1*) (segid A and resid 12 and name ha ) 1.8 0 4.2 assign (segid A and resid 11 and name hb ) (segid A and resid 12 and name hn ) 1.8 0 1.0 assign (segid A and resid 11 and name hg1*) (segid A and resid 12 and name hn ) 1.8 0 2.0 !Arg13 assign (segid A and resid 13 and name hb1 ) (segid A and resid 13 and name hn ) 1.8 0 1.5 assign (segid A and resid 13 and name hg2 ) (segid A and resid 13 and name hn ) 1.8 0 2.0 assign (segid A and resid 13 and name hb1 ) (segid A and resid 13 and name ha ) 1.8 0 3.2 assign (segid A and resid 13 and name hb2 ) (segid A and resid 13 and name ha ) 1.8 0 3.2 assign (segid A and resid 13 and name hg1 ) (segid A and resid 13 and name ha ) 1.8 0 1.0 assign (segid A and resid 13 and name hg2 ) (segid A and resid 13 and name ha ) 1.8 0 1.0 assign (segid A and resid 12 and name hg1 ) (segid A and resid 13 and name hn ) 1.8 0 2.0 assign (segid A and resid 12 and name hg2 ) (segid A and resid 13 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hb1 ) (segid A and resid 13 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hb2 ) (segid A and resid 13 and name hn ) 1.8 0 1.5 !Tyr14 assign (segid A and resid 14 and name hb1 ) (segid A and resid 14 and name hn ) 1.8 0 1.5 assign (segid A and resid 14 and name hb2 ) (segid A and resid 14 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name hd* ) (segid A and resid 14 and name hn ) 1.8 0 3.9 assign (segid A and resid 14 and name hb1 ) (segid A and resid 14 and name ha ) 1.8 0 3.2 assign (segid A and resid 14 and name hb2 ) (segid A and resid 14 and name ha ) 1.8 0 3.2 assign (segid A and resid 14 and name hd* ) (segid A and resid 14 and name ha ) 1.8 0 3.9 assign (segid A and resid 14 and name hh ) (segid A and resid 14 and name he* ) 2.2 0 1.8 assign (segid A and resid 13 and name hb1 ) (segid A and resid 14 and name hn ) 1.8 0 1.0 assign (segid A and resid 13 and name hb2 ) (segid A and resid 14 and name hn ) 1.8 0 1.0 !Val15 assign (segid A and resid 15 and name hg2*) (segid A and resid 15 and name hn ) 1.8 0 2.0 assign (segid A and resid 15 and name hg1*) (segid A and resid 15 and name hn ) 1.8 0 4.2 assign (segid A and resid 15 and name hb ) (segid A and resid 15 and name hn ) 1.8 0 1.0 assign (segid A and resid 15 and name hb ) (segid A and resid 15 and name ha ) 1.8 0 3.2 assign (segid A and resid 15 and name hg1*) (segid A and resid 15 and name ha ) 1.8 0 2.0 assign (segid A and resid 15 and name hg2*) (segid A and resid 15 and name ha ) 1.8 0 2.0 assign (segid A and resid 14 and name hd* ) (segid A and resid 15 and name ha ) 1.8 0 5.3 assign (segid A and resid 14 and name hb2 ) (segid A and resid 15 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name hd* ) (segid A and resid 15 and name hn ) 1.8 0 5.6 assign (segid A and resid 14 and name hd* ) (segid A and resid 15 and name hg2*) 1.8 0 5.6 assign (segid A and resid 12 and name ha ) (segid A and resid 15 and name hg2*) 1.8 0 4.2 assign (segid A and resid 11 and name hg1*) (segid A and resid 15 and name hg2*) 1.8 0 5.2 !Ala16 assign (segid A and resid 16 and name hb* ) (segid A and resid 16 and name hn ) 1.8 0 2.0 assign (segid A and resid 16 and name hb* ) (segid A and resid 16 and name ha ) 1.8 0 2.0 assign (segid A and resid 15 and name hb ) (segid A and resid 16 and name hn ) 1.8 0 1.5 assign (segid A and resid 15 and name hg2*) (segid A and resid 16 and name hn ) 1.8 0 4.2 assign (segid A and resid 15 and name hg1*) (segid A and resid 16 and name hn ) 1.8 0 2.5 assign (segid A and resid 15 and name hb ) (segid A and resid 16 and name ha ) 1.8 0 3.2 assign (segid A and resid 15 and name hg1*) (segid A and resid 16 and name ha ) 1.8 0 2.5 !Ala17 assign (segid A and resid 17 and name hb* ) (segid A and resid 17 and name hn ) 1.8 0 2.0 assign (segid A and resid 17 and name hb* ) (segid A and resid 17 and name ha ) 1.8 0 2.0 assign (segid A and resid 16 and name hb* ) (segid A and resid 17 and name ha ) 1.8 0 4.2 assign (segid A and resid 16 and name hb* ) (segid A and resid 17 and name hn ) 1.8 0 2.5 !Leu18 assign (segid A and resid 18 and name hb1 ) (segid A and resid 18 and name hn ) 1.8 0 1.5 assign (segid A and resid 18 and name hb2 ) (segid A and resid 18 and name hn ) 1.8 0 1.0 assign (segid A and resid 18 and name hg ) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name hd2*) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name hd1*) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name hb1 ) (segid A and resid 18 and name ha ) 1.8 0 3.2 assign (segid A and resid 18 and name hb2 ) (segid A and resid 18 and name ha ) 1.8 0 3.2 assign (segid A and resid 18 and name hg ) (segid A and resid 18 and name ha ) 1.8 0 1.5 assign (segid A and resid 18 and name hd1*) (segid A and resid 18 and name ha ) 1.8 0 4.2 assign (segid A and resid 18 and name hd2*) (segid A and resid 18 and name ha ) 1.8 0 2.0 assign (segid A and resid 17 and name hb* ) (segid A and resid 18 and name ha ) 1.8 0 4.2 assign (segid A and resid 17 and name hb* ) (segid A and resid 18 and name hn ) 1.8 0 2.0 assign (segid A and resid 15 and name hb* ) (segid A and resid 18 and name hd1*) 1.8 0 2.5 assign (segid A and resid 14 and name hd* ) (segid A and resid 18 and name hd1*) 1.8 0 5.3 assign (segid A and resid 14 and name he* ) (segid A and resid 18 and name hd1*) 1.8 0 5.3 !Asn19 assign (segid A and resid 19 and name hb* ) (segid A and resid 19 and name hn ) 1.8 0 2.0 assign (segid A and resid 19 and name hb1 ) (segid A and resid 19 and name ha ) 1.8 0 3.2 assign (segid A and resid 19 and name hb2 ) (segid A and resid 19 and name ha ) 1.8 0 3.2 assign (segid A and resid 18 and name hb1 ) (segid A and resid 19 and name hn ) 1.8 0 1.0 assign (segid A and resid 18 and name hb2 ) (segid A and resid 19 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name hd2*) (segid A and resid 19 and name hn ) 1.8 0 4.2 !Ala20 assign (segid A and resid 20 and name hb* ) (segid A and resid 20 and name hn ) 1.8 0 2.0 assign (segid A and resid 20 and name hb* ) (segid A and resid 20 and name ha ) 1.8 0 2.0 assign (segid A and resid 19 and name hb2 ) (segid A and resid 20 and name ha ) 1.8 0 3.7 assign (segid A and resid 19 and name hb2 ) (segid A and resid 20 and name hn ) 1.8 0 1.5 !Gly21 assign (segid A and resid 21 and name ha1 ) (segid A and resid 21 and name hn ) 1.8 0 1.0 assign (segid A and resid 21 and name ha2 ) (segid A and resid 21 and name hn ) 1.8 0 1.0 assign (segid A and resid 20 and name hb* ) (segid A and resid 21 and name hn ) 1.8 0 2.5 assign (segid A and resid 20 and name ha ) (segid A and resid 21 and name hn ) 1.8 0 3.2 !.....................Hbonds for Helix 1 (Glu5-G21)......................... assign (segid A and resid 8 and name n ) (segid A and resid 4 and name o ) 2.5 0 3.5 assign (segid A and resid 8 and name hn ) (segid A and resid 4 and name o ) 1.5 0 2.5 assign (segid A and resid 9 and name n ) (segid A and resid 5 and name o ) 2.5 0 3.5 assign (segid A and resid 9 and name hn ) (segid A and resid 5 and name o ) 1.5 0 2.5 assign (segid A and resid 10 and name n ) (segid A and resid 6 and name o ) 2.5 0 3.5 assign (segid A and resid 10 and name hn ) (segid A and resid 6 and name o ) 1.5 0 2.5 assign (segid A and resid 11 and name n ) (segid A and resid 7 and name o ) 2.5 0 3.5 assign (segid A and resid 11 and name hn ) (segid A and resid 7 and name o ) 1.5 0 2.5 assign (segid A and resid 12 and name n ) (segid A and resid 8 and name o ) 2.5 0 3.5 assign (segid A and resid 12 and name hn ) (segid A and resid 8 and name o ) 1.5 0 2.5 assign (segid A and resid 13 and name n ) (segid A and resid 9 and name o ) 2.5 0 3.5 assign (segid A and resid 13 and name hn ) (segid A and resid 9 and name o ) 1.5 0 2.5 assign (segid A and resid 14 and name n ) (segid A and resid 10 and name o ) 2.5 0 3.5 assign (segid A and resid 14 and name hn ) (segid A and resid 10 and name o ) 1.5 0 2.5 assign (segid A and resid 15 and name n ) (segid A and resid 11 and name o ) 2.5 0 3.5 assign (segid A and resid 15 and name hn ) (segid A and resid 11 and name o ) 1.5 0 2.5 assign (segid A and resid 16 and name n ) (segid A and resid 12 and name o ) 2.5 0 3.5 assign (segid A and resid 16 and name hn ) (segid A and resid 12 and name o ) 1.5 0 2.5 assign (segid A and resid 17 and name n ) (segid A and resid 13 and name o ) 2.5 0 3.5 assign (segid A and resid 17 and name hn ) (segid A and resid 13 and name o ) 1.5 0 2.5 assign (segid A and resid 18 and name n ) (segid A and resid 14 and name o ) 2.5 0 3.5 assign (segid A and resid 18 and name hn ) (segid A and resid 14 and name o ) 1.5 0 2.5 assign (segid A and resid 19 and name n ) (segid A and resid 15 and name o ) 2.5 0 3.5 assign (segid A and resid 19 and name hn ) (segid A and resid 15 and name o ) 1.5 0 2.5 assign (segid A and resid 20 and name n ) (segid A and resid 16 and name o ) 2.5 0 3.5 assign (segid A and resid 20 and name hn ) (segid A and resid 16 and name o ) 1.5 0 2.5 assign (segid A and resid 21 and name n ) (segid A and resid 17 and name o ) 2.5 0 3.5 assign (segid A and resid 21 and name hn ) (segid A and resid 17 and name o ) 1.5 0 2.5 !.............................Helix 1 (NH-NHi+1)........................ assign (segid A and resid 5 and name hn ) (segid A and resid 6 and name hn ) 1.8 0 3.2 assign (segid A and resid 6 and name hn ) (segid A and resid 7 and name hn ) 1.8 0 1.0 assign (segid A and resid 7 and name hn ) (segid A and resid 8 and name hn ) 1.8 0 1.0 assign (segid A and resid 8 and name hn ) (segid A and resid 9 and name hn ) 1.8 0 1.0 assign (segid A and resid 9 and name hn ) (segid A and resid 10 and name hn ) 1.8 0 1.0 assign (segid A and resid 10 and name hn ) (segid A and resid 11 and name hn ) 1.8 0 1.0 assign (segid A and resid 11 and name hn ) (segid A and resid 12 and name hn ) 1.8 0 1.0 assign (segid A and resid 12 and name hn ) (segid A and resid 13 and name hn ) 1.8 0 1.0 assign (segid A and resid 13 and name hn ) (segid A and resid 14 and name hn ) 1.8 0 1.0 assign (segid A and resid 14 and name hn ) (segid A and resid 15 and name hn ) 1.8 0 1.0 assign (segid A and resid 15 and name hn ) (segid A and resid 16 and name hn ) 1.8 0 1.0 assign (segid A and resid 16 and name hn ) (segid A and resid 17 and name hn ) 1.8 0 1.0 assign (segid A and resid 17 and name hn ) (segid A and resid 18 and name hn ) 1.8 0 1.0 assign (segid A and resid 18 and name hn ) (segid A and resid 19 and name hn ) 1.8 0 1.0 assign (segid A and resid 19 and name hn ) (segid A and resid 20 and name hn ) 1.8 0 1.0 assign (segid A and resid 20 and name hn ) (segid A and resid 21 and name hn ) 1.8 0 1.0 !..........................Helix 1 (NH-NHi+2).................................. assign (segid A and resid 6 and name hn ) (segid A and resid 8 and name hn ) 1.8 0 3.2 assign (segid A and resid 7 and name hn ) (segid A and resid 9 and name hn ) 1.8 0 3.2 assign (segid A and resid 8 and name hn ) (segid A and resid 10 and name hn ) 1.8 0 3.2 assign (segid A and resid 9 and name hn ) (segid A and resid 11 and name hn ) 1.8 0 3.2 assign (segid A and resid 10 and name hn ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 11 and name hn ) (segid A and resid 13 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name hn ) (segid A and resid 14 and name hn ) 1.8 0 3.2 assign (segid A and resid 13 and name hn ) (segid A and resid 15 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name hn ) (segid A and resid 16 and name hn ) 1.8 0 3.2 assign (segid A and resid 15 and name hn ) (segid A and resid 17 and name hn ) 1.8 0 3.2 assign (segid A and resid 17 and name hn ) (segid A and resid 19 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name hn ) (segid A and resid 20 and name hn ) 1.8 0 3.2 !.............................Helix 1 (NH-NHi+3)............................. assign (segid A and resid 6 and name hn ) (segid A and resid 9 and name hn ) 1.8 0 3.2 assign (segid A and resid 8 and name hn ) (segid A and resid 11 and name hn ) 1.8 0 3.2 assign (segid A and resid 9 and name hn ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name hn ) (segid A and resid 17 and name hn ) 1.8 0 3.2 assign (segid A and resid 15 and name hn ) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 16 and name hn ) (segid A and resid 19 and name hn ) 1.8 0 3.2 assign (segid A and resid 17 and name hn ) (segid A and resid 20 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-NHi+3)................................ assign (segid A and resid 4 and name ha ) (segid A and resid 7 and name hn ) 1.8 0 3.2 assign (segid A and resid 5 and name ha ) (segid A and resid 8 and name hn ) 1.8 0 3.2 assign (segid A and resid 6 and name ha ) (segid A and resid 9 and name hn ) 1.8 0 3.2 assign (segid A and resid 7 and name ha ) (segid A and resid 10 and name hn ) 1.8 0 3.2 assign (segid A and resid 8 and name ha ) (segid A and resid 11 and name hn ) 1.8 0 3.2 assign (segid A and resid 9 and name ha ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 10 and name ha ) (segid A and resid 13 and name hn ) 1.8 0 3.2 assign (segid A and resid 11 and name ha ) (segid A and resid 14 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name ha ) (segid A and resid 15 and name hn ) 1.8 0 3.2 assign (segid A and resid 13 and name ha ) (segid A and resid 16 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name ha ) (segid A and resid 17 and name hn ) 1.8 0 3.2 assign (segid A and resid 15 and name ha ) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 16 and name ha ) (segid A and resid 19 and name hn ) 1.8 0 3.2 assign (segid A and resid 17 and name ha ) (segid A and resid 20 and name hn ) 1.8 0 3.2 assign (segid A and resid 18 and name ha ) (segid A and resid 21 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-NHi+4)............................. assign (segid A and resid 5 and name ha ) (segid A and resid 9 and name hn ) 1.8 0 3.2 assign (segid A and resid 6 and name ha ) (segid A and resid 10 and name hn ) 1.8 0 3.2 assign (segid A and resid 8 and name ha ) (segid A and resid 12 and name hn ) 1.8 0 3.2 assign (segid A and resid 10 and name ha ) (segid A and resid 14 and name hn ) 1.8 0 3.2 assign (segid A and resid 11 and name ha ) (segid A and resid 15 and name hn ) 1.8 0 3.2 assign (segid A and resid 12 and name ha ) (segid A and resid 16 and name hn ) 1.8 0 3.2 assign (segid A and resid 13 and name ha ) (segid A and resid 17 and name hn ) 1.8 0 3.2 assign (segid A and resid 14 and name ha ) (segid A and resid 18 and name hn ) 1.8 0 3.2 assign (segid A and resid 15 and name ha ) (segid A and resid 19 and name hn ) 1.8 0 3.2 assign (segid A and resid 16 and name ha ) (segid A and resid 20 and name hn ) 1.8 0 3.2 assign (segid A and resid 17 and name ha ) (segid A and resid 21 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-Hbi+3)............................. assign (segid A and resid 7 and name hb* ) (segid A and resid 4 and name ha ) 1.8 0 2.0 assign (segid A and resid 8 and name hb ) (segid A and resid 5 and name ha ) 1.8 0 1.5 assign (segid A and resid 9 and name hb* ) (segid A and resid 6 and name ha ) 1.8 0 2.5 assign (segid A and resid 10 and name hb ) (segid A and resid 7 and name ha ) 1.8 0 1.5 assign (segid A and resid 11 and name hb ) (segid A and resid 8 and name ha ) 1.8 0 1.5 assign (segid A and resid 12 and name hb1 ) (segid A and resid 9 and name ha ) 1.8 0 1.5 assign (segid A and resid 12 and name hb2 ) (segid A and resid 9 and name ha ) 1.8 0 1.5 assign (segid A and resid 13 and name hb* ) (segid A and resid 10 and name ha ) 1.8 0 2.0 assign (segid A and resid 14 and name hb1 ) (segid A and resid 11 and name ha ) 1.8 0 1.5 assign (segid A and resid 14 and name hb2 ) (segid A and resid 11 and name ha ) 1.8 0 1.5 assign (segid A and resid 15 and name hb ) (segid A and resid 12 and name ha ) 1.8 0 1.5 assign (segid A and resid 16 and name hb* ) (segid A and resid 13 and name ha ) 1.8 0 2.5 assign (segid A and resid 17 and name hb* ) (segid A and resid 14 and name ha ) 1.8 0 2.5 assign (segid A and resid 18 and name hb1 ) (segid A and resid 15 and name ha ) 1.8 0 1.5 assign (segid A and resid 18 and name hb2 ) (segid A and resid 15 and name ha ) 1.8 0 1.5 assign (segid A and resid 19 and name hb1 ) (segid A and resid 16 and name ha ) 1.8 0 1.5 assign (segid A and resid 19 and name hb2 ) (segid A and resid 16 and name ha ) 1.8 0 1.5 assign (segid A and resid 20 and name hb* ) (segid A and resid 17 and name ha ) 1.8 0 2.5 !.............................Helix 2............................... !Asp22 assign (segid A and resid 22 and name ha ) (segid A and resid 22 and name hn ) 1.8 0 1.5 assign (segid A and resid 22 and name hb1 ) (segid A and resid 22 and name hn ) 1.8 0 1.0 assign (segid A and resid 22 and name hb2 ) (segid A and resid 22 and name hn ) 1.8 0 1.5 assign (segid A and resid 22 and name hb1 ) (segid A and resid 22 and name ha ) 1.8 0 1.0 assign (segid A and resid 22 and name hb2 ) (segid A and resid 22 and name ha ) 1.8 0 1.0 assign (segid A and resid 21 and name hn ) (segid A and resid 22 and name hn ) 1.8 0 1.0 assign (segid A and resid 21 and name ha1 ) (segid A and resid 22 and name hn ) 1.8 0 3.2 assign (segid A and resid 21 and name ha2 ) (segid A and resid 22 and name hn ) 1.8 0 1.5 assign (segid A and resid 20 and name ha ) (segid A and resid 22 and name hn ) 1.8 0 3.2 assign (segid A and resid 20 and name hb* ) (segid A and resid 22 and name hn ) 1.8 0 2.5 assign (segid A and resid 20 and name hb* ) (segid A and resid 22 and name hb1 ) 1.8 0 2.5 assign (segid A and resid 20 and name hb* ) (segid A and resid 22 and name hb2 ) 1.8 0 4.2 !Leu23 assign (segid A and resid 23 and name hb1 ) (segid A and resid 23 and name hn ) 1.8 0 1.5 assign (segid A and resid 23 and name hb2 ) (segid A and resid 23 and name hn ) 1.8 0 3.2 assign (segid A and resid 23 and name hg ) (segid A and resid 23 and name hn ) 1.8 0 3.2 assign (segid A and resid 23 and name hd1*) (segid A and resid 23 and name hn ) 1.8 0 2.5 assign (segid A and resid 23 and name hd2*) (segid A and resid 23 and name hn ) 1.8 0 4.2 assign (segid A and resid 23 and name hb1 ) (segid A and resid 23 and name ha ) 1.8 0 3.2 assign (segid A and resid 23 and name hb2 ) (segid A and resid 23 and name ha ) 1.8 0 3.2 assign (segid A and resid 23 and name hg ) (segid A and resid 23 and name ha ) 1.8 0 1.5 assign (segid A and resid 23 and name hd1*) (segid A and resid 23 and name ha ) 1.8 0 2.0 assign (segid A and resid 23 and name hd2*) (segid A and resid 23 and name ha ) 1.8 0 4.2 assign (segid A and resid 22 and name ha ) (segid A and resid 23 and name hn ) 1.8 0 1.0 assign (segid A and resid 22 and name hb1 ) (segid A and resid 23 and name hn ) 1.8 0 3.2 assign (segid A and resid 22 and name hb2 ) (segid A and resid 23 and name hn ) 1.8 0 3.2 !Asp24 assign (segid A and resid 24 and name hb* ) (segid A and resid 24 and name hn ) 1.8 0 2.0 assign (segid A and resid 24 and name hb* ) (segid A and resid 24 and name ha ) 1.8 0 3.2 assign (segid A and resid 23 and name ha ) (segid A and resid 24 and name hn ) 1.8 0 3.2 assign (segid A and resid 23 and name hb2 ) (segid A and resid 24 and name hn ) 1.8 0 1.5 assign (segid A and resid 23 and name hb1 ) (segid A and resid 24 and name hn ) 1.8 0 3.2 assign (segid A and resid 23 and name hd2*) (segid A and resid 24 and name hn ) 1.8 0 4.2 assign (segid A and resid 22 and name ha ) (segid A and resid 24 and name hn ) 1.8 0 3.2 !Gly25 assign (segid A and resid 25 and name ha1 ) (segid A and resid 25 and name hn ) 1.8 0 1.0 assign (segid A and resid 25 and name ha2 ) (segid A and resid 25 and name hn ) 1.8 0 1.0 assign (segid A and resid 24 and name ha ) (segid A and resid 25 and name hn ) 1.8 0 3.2 assign (segid A and resid 24 and name hb* ) (segid A and resid 25 and name hn ) 1.8 0 2.5 !Ile26 assign (segid A and resid 26 and name hb ) (segid A and resid 26 and name hn ) 1.8 0 1.5 assign (segid A and resid 26 and name hg11) (segid A and resid 26 and name hn ) 1.8 0 1.5 assign (segid A and resid 26 and name hg12) (segid A and resid 26 and name hn ) 1.8 0 1.5 assign (segid A and resid 26 and name hg2*) (segid A and resid 26 and name hn ) 1.8 0 4.2 assign (segid A and resid 26 and name hd* ) (segid A and resid 26 and name hn ) 1.8 0 2.5 assign (segid A and resid 26 and name hb ) (segid A and resid 26 and name ha ) 1.8 0 3.2 assign (segid A and resid 26 and name hg11) (segid A and resid 26 and name ha ) 1.8 0 1.5 assign (segid A and resid 26 and name hg12) (segid A and resid 26 and name ha ) 1.8 0 1.5 assign (segid A and resid 26 and name hg2*) (segid A and resid 26 and name ha ) 1.8 0 2.0 assign (segid A and resid 26 and name hd* ) (segid A and resid 26 and name ha ) 1.8 0 2.5 assign (segid A and resid 25 and name ha1 ) (segid A and resid 26 and name hn ) 1.8 0 3.2 assign (segid A and resid 25 and name ha2 ) (segid A and resid 26 and name hn ) 1.8 0 1.5 assign (segid A and resid 23 and name hn ) (segid A and resid 26 and name hd* ) 1.8 0 4.2 assign (segid A and resid 23 and name ha ) (segid A and resid 26 and name hd* ) 1.8 0 4.2 assign (segid A and resid 23 and name hd1*) (segid A and resid 26 and name hd* ) 1.8 0 3.5 assign (segid A and resid 23 and name hb1 ) (segid A and resid 26 and name hd* ) 1.8 0 4.2 !Val27 assign (segid A and resid 27 and name hb ) (segid A and resid 27 and name hn ) 1.8 0 1.0 assign (segid A and resid 27 and name hg1*) (segid A and resid 27 and name hn ) 1.8 0 2.5 assign (segid A and resid 27 and name hg2*) (segid A and resid 27 and name hn ) 1.8 0 4.2 assign (segid A and resid 27 and name hg1*) (segid A and resid 27 and name ha ) 1.8 0 2.0 assign (segid A and resid 27 and name hg2*) (segid A and resid 27 and name ha ) 1.8 0 2.0 assign (segid A and resid 27 and name hb ) (segid A and resid 27 and name ha ) 1.8 0 3.2 assign (segid A and resid 26 and name hg2*) (segid A and resid 27 and name ha ) 1.8 0 4.2 assign (segid A and resid 26 and name ha ) (segid A and resid 27 and name hn ) 1.8 0 3.2 assign (segid A and resid 26 and name hg2*) (segid A and resid 27 and name hn ) 1.8 0 2.5 assign (segid A and resid 26 and name hd* ) (segid A and resid 27 and name hn ) 1.8 0 4.2 assign (segid A and resid 26 and name hb ) (segid A and resid 27 and name hn ) 1.8 0 1.0 assign (segid A and resid 26 and name hg2*) (segid A and resid 27 and name hg2*) 1.8 0 3.5 assign (segid A and resid 24 and name ha ) (segid A and resid 27 and name hg* ) 1.8 0 3.7 !Ala28 assign (segid A and resid 28 and name hb* ) (segid A and resid 28 and name hn ) 1.8 0 2.0 assign (segid A and resid 28 and name hb* ) (segid A and resid 28 and name ha ) 1.8 0 2.0 assign (segid A and resid 27 and name ha ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 27 and name hb ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 27 and name hg1*) (segid A and resid 28 and name ha ) 1.8 0 4.2 assign (segid A and resid 27 and name hg1*) (segid A and resid 28 and name hn ) 1.8 0 2.5 !Leu29 assign (segid A and resid 29 and name hb1 ) (segid A and resid 29 and name hn ) 1.8 0 1.5 assign (segid A and resid 29 and name hb2 ) (segid A and resid 29 and name hn ) 1.8 0 1.5 assign (segid A and resid 29 and name hg ) (segid A and resid 29 and name hn ) 1.8 0 3.2 assign (segid A and resid 29 and name hd1*) (segid A and resid 29 and name hn ) 1.8 0 2.5 assign (segid A and resid 29 and name hd2*) (segid A and resid 29 and name hn ) 1.8 0 4.2 assign (segid A and resid 29 and name hd2*) (segid A and resid 29 and name ha ) 1.8 0 2.5 assign (segid A and resid 29 and name hd1*) (segid A and resid 29 and name ha ) 1.8 0 2.0 assign (segid A and resid 29 and name hb2 ) (segid A and resid 29 and name ha ) 1.8 0 3.2 assign (segid A and resid 29 and name hb1 ) (segid A and resid 29 and name ha ) 1.8 0 3.2 assign (segid A and resid 29 and name hg ) (segid A and resid 29 and name ha ) 1.8 0 1.0 assign (segid A and resid 28 and name ha ) (segid A and resid 29 and name hn ) 1.8 0 3.2 assign (segid A and resid 28 and name hb* ) (segid A and resid 29 and name hn ) 1.8 0 2.5 assign (segid A and resid 28 and name hb* ) (segid A and resid 29 and name ha ) 1.8 0 4.2 !Phe30 assign (segid A and resid 30 and name ha ) (segid A and resid 30 and name hn ) 1.8 0 3.2 assign (segid A and resid 30 and name hb1 ) (segid A and resid 30 and name hn ) 1.8 0 1.5 assign (segid A and resid 30 and name hb2 ) (segid A and resid 30 and name hn ) 1.8 0 1.5 assign (segid A and resid 30 and name hd* ) (segid A and resid 30 and name hn ) 1.8 0 3.6 assign (segid A and resid 30 and name he* ) (segid A and resid 30 and name hn ) 1.8 0 5.3 assign (segid A and resid 30 and name hb1 ) (segid A and resid 30 and name ha ) 1.8 0 3.2 assign (segid A and resid 30 and name hb2 ) (segid A and resid 30 and name ha ) 1.8 0 3.2 assign (segid A and resid 30 and name hd* ) (segid A and resid 30 and name ha ) 1.8 0 5.3 assign (segid A and resid 29 and name ha ) (segid A and resid 30 and name hn ) 1.8 0 3.2 assign (segid A and resid 29 and name hg ) (segid A and resid 30 and name hn ) 1.8 0 3.2 assign (segid A and resid 29 and name hb1 ) (segid A and resid 30 and name hn ) 1.8 0 3.2 assign (segid A and resid 29 and name hb2 ) (segid A and resid 30 and name hn ) 1.8 0 3.2 assign (segid A and resid 29 and name hd2*) (segid A and resid 30 and name hn ) 1.8 0 4.2 assign (segid A and resid 27 and name ha ) (segid A and resid 30 and name hd* ) 1.8 0 3.1 assign (segid A and resid 27 and name hg2*) (segid A and resid 30 and name hd* ) 1.8 0 5.3 !Ala31 assign (segid A and resid 31 and name ha ) (segid A and resid 31 and name hn ) 1.8 0 1.5 assign (segid A and resid 31 and name hb* ) (segid A and resid 31 and name hn ) 1.8 0 2.0 assign (segid A and resid 31 and name hb* ) (segid A and resid 31 and name ha ) 1.8 0 2.0 assign (segid A and resid 30 and name hn ) (segid A and resid 31 and name hn ) 1.8 0 3.2 assign (segid A and resid 30 and name ha ) (segid A and resid 31 and name hn ) 1.8 0 1.0 assign (segid A and resid 30 and name hb2 ) (segid A and resid 31 and name hn ) 1.8 0 3.2 !Asp32 assign (segid A and resid 32 and name ha ) (segid A and resid 32 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name hb1 ) (segid A and resid 32 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name hb2 ) (segid A and resid 32 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name hb1 ) (segid A and resid 32 and name ha ) 1.8 0 1.0 assign (segid A and resid 32 and name hb2 ) (segid A and resid 32 and name ha ) 1.8 0 1.0 assign (segid A and resid 31 and name ha ) (segid A and resid 32 and name hn ) 1.8 0 1.0 assign (segid A and resid 31 and name hb* ) (segid A and resid 32 and name hn ) 1.8 0 2.0 !Asp33 assign (segid A and resid 33 and name ha ) (segid A and resid 33 and name hn ) 1.8 0 1.0 assign (segid A and resid 33 and name hb1 ) (segid A and resid 33 and name hn ) 1.8 0 3.2 assign (segid A and resid 33 and name hb2 ) (segid A and resid 33 and name hn ) 1.8 0 3.2 assign (segid A and resid 33 and name hb1 ) (segid A and resid 33 and name ha ) 1.8 0 1.0 assign (segid A and resid 33 and name hb2 ) (segid A and resid 33 and name ha ) 1.8 0 1.0 assign (segid A and resid 32 and name hn ) (segid A and resid 33 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name ha ) (segid A and resid 33 and name hn ) 1.8 0 1.5 assign (segid A and resid 32 and name hb1 ) (segid A and resid 33 and name hn ) 1.8 0 1.5 assign (segid A and resid 32 and name hb2 ) (segid A and resid 33 and name hn ) 1.8 0 1.5 assign (segid A and resid 31 and name ha ) (segid A and resid 33 and name hn ) 1.8 0 3.2 assign (segid A and resid 32 and name hb* ) (segid A and resid 33 and name hn ) 1.8 0 2.5 !.............................Hbonds for alpha-Helix 2 (Leu23-Phe30) (new) assign (segid A and resid 26 and name n ) (segid A and resid 22 and name o ) 2.5 0 3.5 assign (segid A and resid 26 and name hn ) (segid A and resid 22 and name o ) 1.5 0 2.5 assign (segid A and resid 27 and name n ) (segid A and resid 23 and name o ) 2.5 0 3.5 assign (segid A and resid 27 and name hn ) (segid A and resid 23 and name o ) 1.5 0 2.5 assign (segid A and resid 28 and name n ) (segid A and resid 24 and name o ) 2.5 0 3.5 assign (segid A and resid 28 and name hn ) (segid A and resid 24 and name o ) 1.5 0 2.5 assign (segid A and resid 29 and name n ) (segid A and resid 25 and name o ) 2.5 0 3.5 assign (segid A and resid 29 and name hn ) (segid A and resid 25 and name o ) 1.5 0 2.5 assign (segid A and resid 30 and name n ) (segid A and resid 26 and name o ) 2.5 0 3.5 assign (segid A and resid 30 and name hn ) (segid A and resid 26 and name o ) 1.5 0 2.5 !.............................Helix 2 (NH-NHi+1)............................. assign (segid A and resid 22 and name hn ) (segid A and resid 23 and name hn ) 1.8 0 3.2 assign (segid A and resid 23 and name hn ) (segid A and resid 24 and name hn ) 1.8 0 1.0 assign (segid A and resid 24 and name hn ) (segid A and resid 25 and name hn ) 1.8 0 1.0 assign (segid A and resid 25 and name hn ) (segid A and resid 26 and name hn ) 1.8 0 1.0 assign (segid A and resid 26 and name hn ) (segid A and resid 27 and name hn ) 1.8 0 1.0 assign (segid A and resid 27 and name hn ) (segid A and resid 28 and name hn ) 1.8 0 1.0 assign (segid A and resid 28 and name hn ) (segid A and resid 29 and name hn ) 1.8 0 1.0 assign (segid A and resid 29 and name hn ) (segid A and resid 30 and name hn ) 1.8 0 1.0 !.............................Helix 2 (NH-NHi+2)............................. assign (segid A and resid 23 and name hn ) (segid A and resid 25 and name hn ) 1.8 0 3.2 assign (segid A and resid 24 and name hn ) (segid A and resid 26 and name hn ) 1.8 0 3.2 assign (segid A and resid 25 and name hn ) (segid A and resid 27 and name hn ) 1.8 0 3.2 assign (segid A and resid 26 and name hn ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 27 and name hn ) (segid A and resid 29 and name hn ) 1.8 0 3.2 !.............................Helix 2 (NH-NHi+3)............................. assign (segid A and resid 24 and name hn ) (segid A and resid 27 and name hn ) 1.8 0 3.2 assign (segid A and resid 25 and name hn ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 26 and name hn ) (segid A and resid 29 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-NHi+3)............................. assign (segid A and resid 23 and name ha ) (segid A and resid 26 and name hn ) 1.8 0 3.2 assign (segid A and resid 24 and name ha ) (segid A and resid 27 and name hn ) 1.8 0 3.2 assign (segid A and resid 25 and name ha1 ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 26 and name ha ) (segid A and resid 29 and name hn ) 1.8 0 3.2 assign (segid A and resid 27 and name ha ) (segid A and resid 30 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-NHi+4)............................. assign (segid A and resid 23 and name ha ) (segid A and resid 27 and name hn ) 1.8 0 3.2 assign (segid A and resid 24 and name ha ) (segid A and resid 28 and name hn ) 1.8 0 3.2 assign (segid A and resid 26 and name ha ) (segid A and resid 30 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-Hbi+3)............................. assign (segid A and resid 26 and name hb ) (segid A and resid 23 and name ha ) 1.8 0 1.5 assign (segid A and resid 27 and name hb ) (segid A and resid 24 and name ha ) 1.8 0 1.5 assign (segid A and resid 28 and name hb* ) (segid A and resid 25 and name ha1 ) 1.8 0 2.5 assign (segid A and resid 29 and name hb1 ) (segid A and resid 26 and name ha ) 1.8 0 1.5 assign (segid A and resid 29 and name hb2 ) (segid A and resid 26 and name ha ) 1.8 0 1.5 assign (segid A and resid 30 and name hb1 ) (segid A and resid 27 and name ha ) 1.8 0 1.5 assign (segid A and resid 30 and name hb2 ) (segid A and resid 27 and name ha ) 1.8 0 1.5 !....................................Helix III.................................. !Thr48 assign (segid A and resid 48 and name hb ) (segid A and resid 48 and name hn ) 1.8 0 1.0 assign (segid A and resid 48 and name ha ) (segid A and resid 48 and name hn ) 1.8 0 1.5 assign (segid A and resid 48 and name hg2*) (segid A and resid 48 and name hn ) 1.8 0 2.5 assign (segid A and resid 48 and name hb ) (segid A and resid 48 and name ha ) 1.8 0 1.5 assign (segid A and resid 48 and name hg2*) (segid A and resid 48 and name ha ) 1.8 0 2.0 assign (segid A and resid 47 and name hn ) (segid A and resid 48 and name hn ) 1.8 0 3.2 assign (segid A and resid 47 and name ha1 ) (segid A and resid 48 and name hn ) 1.8 0 1.0 assign (segid A and resid 47 and name ha2 ) (segid A and resid 48 and name hn ) 1.8 0 1.0 !Ala49 assign (segid A and resid 49 and name hb* ) (segid A and resid 49 and name hn ) 1.8 0 2.0 assign (segid A and resid 49 and name hb* ) (segid A and resid 49 and name ha ) 1.8 0 2.0 assign (segid A and resid 48 and name hb ) (segid A and resid 49 and name hn ) 1.8 0 1.5 assign (segid A and resid 48 and name ha ) (segid A and resid 49 and name hn ) 1.8 0 3.2 assign (segid A and resid 48 and name hg2*) (segid A and resid 49 and name hn ) 1.8 0 2.5 assign (segid A and resid 48 and name hg2*) (segid A and resid 49 and name ha ) 1.8 0 2.5 !Ala50 assign (segid A and resid 50 and name hb* ) (segid A and resid 50 and name hn ) 1.8 0 2.0 assign (segid A and resid 50 and name hb* ) (segid A and resid 50 and name ha ) 1.8 0 2.0 assign (segid A and resid 49 and name ha ) (segid A and resid 50 and name hn ) 1.8 0 3.2 assign (segid A and resid 49 and name hb* ) (segid A and resid 50 and name hn ) 1.8 0 2.0 assign (segid A and resid 49 and name hb* ) (segid A and resid 50 and name ha ) 1.8 0 3.2 assign (segid A and resid 46 and name hn ) (segid A and resid 50 and name hb* ) 1.8 0 2.0 !Ile51 assign (segid A and resid 51 and name hg11) (segid A and resid 51 and name hn ) 1.8 0 3.2 assign (segid A and resid 51 and name hg12) (segid A and resid 51 and name hn ) 1.8 0 1.5 assign (segid A and resid 51 and name hg2*) (segid A and resid 51 and name hn ) 1.8 0 4.2 assign (segid A and resid 51 and name hd* ) (segid A and resid 51 and name hn ) 1.8 0 2.5 assign (segid A and resid 51 and name hb ) (segid A and resid 51 and name hn ) 1.8 0 1.0 assign (segid A and resid 51 and name hb ) (segid A and resid 51 and name ha ) 1.8 0 3.2 assign (segid A and resid 51 and name hg11) (segid A and resid 51 and name ha ) 1.8 0 1.5 assign (segid A and resid 51 and name hg12) (segid A and resid 51 and name ha ) 1.8 0 1.5 assign (segid A and resid 51 and name hg2*) (segid A and resid 51 and name ha ) 1.8 0 2.0 assign (segid A and resid 51 and name hd* ) (segid A and resid 51 and name ha ) 1.8 0 4.2 assign (segid A and resid 48 and name ha ) (segid A and resid 51 and name hd* ) 1.8 0 4.2 assign (segid A and resid 48 and name ha ) (segid A and resid 51 and name hg12) 1.8 0 3.2 assign (segid A and resid 48 and name ha ) (segid A and resid 51 and name hg2*) 1.8 0 3.2 assign (segid A and resid 50 and name ha ) (segid A and resid 51 and name hn ) 1.8 0 3.2 assign (segid A and resid 50 and name hb* ) (segid A and resid 51 and name hn ) 1.8 0 2.0 !Arg52 assign (segid A and resid 52 and name hb1 ) (segid A and resid 52 and name hn ) 1.8 0 1.0 assign (segid A and resid 52 and name hb2 ) (segid A and resid 52 and name hn ) 1.8 0 1.0 assign (segid A and resid 52 and name hb1 ) (segid A and resid 52 and name ha ) 1.8 0 3.2 assign (segid A and resid 52 and name hb2 ) (segid A and resid 52 and name ha ) 1.8 0 3.2 assign (segid A and resid 52 and name hg1 ) (segid A and resid 52 and name ha ) 1.8 0 1.0 assign (segid A and resid 52 and name hg2 ) (segid A and resid 52 and name ha ) 1.8 0 1.0 assign (segid A and resid 51 and name ha ) (segid A and resid 52 and name hn ) 1.8 0 3.2 assign (segid A and resid 51 and name hb ) (segid A and resid 52 and name hn ) 1.8 0 1.0 assign (segid A and resid 51 and name hg2*) (segid A and resid 52 and name hn ) 1.8 0 2.5 !Glu53 assign (segid A and resid 53 and name hg2 ) (segid A and resid 53 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name hb* ) (segid A and resid 53 and name hn ) 1.8 0 1.5 assign (segid A and resid 53 and name hb* ) (segid A and resid 53 and name ha ) 1.8 0 3.7 assign (segid A and resid 53 and name hg1 ) (segid A and resid 53 and name ha ) 1.8 0 1.0 assign (segid A and resid 53 and name hg2 ) (segid A and resid 53 and name ha ) 1.8 0 1.0 assign (segid A and resid 52 and name ha ) (segid A and resid 53 and name hn ) 1.8 0 3.2 assign (segid A and resid 52 and name hb* ) (segid A and resid 53 and name hn ) 1.8 0 3.7 assign (segid A and resid 52 and name hg* ) (segid A and resid 53 and name hn ) 1.8 0 3.7 !Phe54 assign (segid A and resid 54 and name hb2 ) (segid A and resid 54 and name hn ) 1.8 0 1.0 assign (segid A and resid 54 and name hb1 ) (segid A and resid 54 and name hn ) 1.8 0 1.0 assign (segid A and resid 54 and name hd* ) (segid A and resid 54 and name hn ) 1.8 0 3.9 assign (segid A and resid 54 and name hb1 ) (segid A and resid 54 and name ha ) 1.8 0 3.2 assign (segid A and resid 54 and name hb2 ) (segid A and resid 54 and name ha ) 1.8 0 3.2 assign (segid A and resid 54 and name hd* ) (segid A and resid 54 and name ha ) 1.8 0 3.1 assign (segid A and resid 53 and name ha ) (segid A and resid 54 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name hg1 ) (segid A and resid 54 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name hg2 ) (segid A and resid 54 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name hb* ) (segid A and resid 54 and name hn ) 1.8 0 2.0 !Phe55 assign (segid A and resid 55 and name hb* ) (segid A and resid 55 and name hn ) 1.8 0 2.5 assign (segid A and resid 55 and name hd* ) (segid A and resid 55 and name hn ) 1.8 0 3.9 assign (segid A and resid 55 and name hd* ) (segid A and resid 55 and name ha ) 1.8 0 3.0 assign (segid A and resid 55 and name hb* ) (segid A and resid 55 and name ha ) 1.8 0 3.7 assign (segid A and resid 55 and name hd* ) (segid A and resid 55 and name hb1 ) 1.8 0 3.1 assign (segid A and resid 55 and name hd* ) (segid A and resid 55 and name hb2 ) 1.8 0 3.1 assign (segid A and resid 54 and name ha ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name hb2 ) (segid A and resid 55 and name hn ) 1.8 0 1.0 assign (segid A and resid 54 and name hb1 ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name hd* ) (segid A and resid 55 and name hn ) 1.8 0 3.9 !Ala56 assign (segid A and resid 56 and name hb* ) (segid A and resid 56 and name hn ) 1.8 0 2.0 assign (segid A and resid 56 and name hb* ) (segid A and resid 56 and name ha ) 1.8 0 2.0 assign (segid A and resid 55 and name ha ) (segid A and resid 56 and name hn ) 1.8 0 3.2 assign (segid A and resid 55 and name hb* ) (segid A and resid 56 and name hn ) 1.8 0 2.5 assign (segid A and resid 55 and name hd* ) (segid A and resid 56 and name hn ) 1.8 0 5.3 !Asn57 assign (segid A and resid 57 and name hb1 ) (segid A and resid 57 and name hn ) 1.8 0 1.0 assign (segid A and resid 57 and name hb2 ) (segid A and resid 57 and name hn ) 1.8 0 1.0 assign (segid A and resid 57 and name hb1 ) (segid A and resid 57 and name ha ) 1.8 0 3.2 assign (segid A and resid 57 and name hb2 ) (segid A and resid 57 and name ha ) 1.8 0 3.2 assign (segid A and resid 56 and name ha ) (segid A and resid 57 and name hn ) 1.8 0 3.2 assign (segid A and resid 56 and name hb* ) (segid A and resid 57 and name hn ) 1.8 0 2.0 assign (segid A and resid 56 and name hb* ) (segid A and resid 57 and name ha ) 1.8 0 4.2 assign (segid A and resid 60 and name he* ) (segid A and resid 57 and name ha ) 1.8 0 4.2 assign (segid A and resid 60 and name hd* ) (segid A and resid 57 and name ha ) 1.8 0 4.2 !Ser58 assign (segid A and resid 58 and name hb1 ) (segid A and resid 58 and name hn ) 1.8 0 1.0 assign (segid A and resid 58 and name hb2 ) (segid A and resid 58 and name hn ) 1.8 0 1.0 assign (segid A and resid 58 and name hb1 ) (segid A and resid 58 and name ha ) 1.8 0 3.2 assign (segid A and resid 58 and name hb2 ) (segid A and resid 58 and name ha ) 1.8 0 3.2 assign (segid A and resid 57 and name ha ) (segid A and resid 58 and name hn ) 1.8 0 3.2 assign (segid A and resid 57 and name hb* ) (segid A and resid 58 and name hn ) 1.8 0 2.5 !Leu59 assign (segid A and resid 59 and name hb1 ) (segid A and resid 59 and name hn ) 1.8 0 1.0 assign (segid A and resid 59 and name hb2 ) (segid A and resid 59 and name hn ) 1.8 0 1.0 assign (segid A and resid 59 and name hg ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hd1*) (segid A and resid 59 and name hn ) 1.8 0 2.5 assign (segid A and resid 59 and name hd2*) (segid A and resid 59 and name hn ) 1.8 0 4.2 assign (segid A and resid 59 and name hb2 ) (segid A and resid 59 and name ha ) 1.8 0 3.2 assign (segid A and resid 59 and name hb1 ) (segid A and resid 59 and name ha ) 1.8 0 3.2 assign (segid A and resid 59 and name hg ) (segid A and resid 59 and name ha ) 1.8 0 1.5 assign (segid A and resid 59 and name hd1*) (segid A and resid 59 and name ha ) 1.8 0 2.5 assign (segid A and resid 59 and name hd2*) (segid A and resid 59 and name ha ) 1.8 0 4.2 assign (segid A and resid 58 and name ha ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 58 and name hb1 ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 58 and name hb2 ) (segid A and resid 59 and name hn ) 1.8 0 3.2 !Lys60 assign (segid A and resid 60 and name hb* ) (segid A and resid 60 and name hn ) 1.8 0 1.5 assign (segid A and resid 60 and name hg1 ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 60 and name hg2 ) (segid A and resid 60 and name hn ) 1.8 0 1.5 assign (segid A and resid 60 and name hd* ) (segid A and resid 60 and name hn ) 1.8 0 4.2 assign (segid A and resid 60 and name hb* ) (segid A and resid 60 and name ha ) 1.8 0 3.7 assign (segid A and resid 60 and name hg1 ) (segid A and resid 60 and name ha ) 1.8 0 1.5 assign (segid A and resid 60 and name hg2 ) (segid A and resid 60 and name ha ) 1.8 0 1.5 assign (segid A and resid 59 and name ha ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hg ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hb1 ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hb2 ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hd2*) (segid A and resid 60 and name hn ) 1.8 0 4.2 !Leu61 assign (segid A and resid 61 and name hb1 ) (segid A and resid 61 and name hn ) 1.8 0 1.0 assign (segid A and resid 61 and name hb2 ) (segid A and resid 61 and name hn ) 1.8 0 1.5 assign (segid A and resid 61 and name hg ) (segid A and resid 61 and name hn ) 1.8 0 3.2 assign (segid A and resid 61 and name hd1*) (segid A and resid 61 and name hn ) 1.8 0 4.2 assign (segid A and resid 61 and name hd2*) (segid A and resid 61 and name hn ) 1.8 0 4.2 assign (segid A and resid 61 and name hb1 ) (segid A and resid 61 and name ha ) 1.8 0 1.5 assign (segid A and resid 61 and name hb2 ) (segid A and resid 61 and name ha ) 1.8 0 3.2 assign (segid A and resid 61 and name hg ) (segid A and resid 61 and name ha ) 1.8 0 3.2 assign (segid A and resid 61 and name hd1*) (segid A and resid 61 and name ha ) 1.8 0 2.5 assign (segid A and resid 61 and name hd2*) (segid A and resid 61 and name ha ) 1.8 0 4.2 assign (segid A and resid 59 and name ha ) (segid A and resid 61 and name hn ) 1.8 0 3.2 assign (segid A and resid 60 and name ha ) (segid A and resid 61 and name hn ) 1.8 0 3.2 assign (segid A and resid 60 and name hb* ) (segid A and resid 61 and name hn ) 1.8 0 4.2 assign (segid A and resid 60 and name hg1 ) (segid A and resid 61 and name hn ) 1.8 0 3.2 !Pro62 assign (segid A and resid 62 and name hd2 ) (segid A and resid 62 and name ha ) 1.8 0 3.2 assign (segid A and resid 62 and name hd1 ) (segid A and resid 62 and name ha ) 1.8 0 3.2 assign (segid A and resid 62 and name hb1 ) (segid A and resid 62 and name ha ) 1.8 0 1.0 assign (segid A and resid 62 and name hb2 ) (segid A and resid 62 and name ha ) 1.8 0 1.0 assign (segid A and resid 61 and name hn ) (segid A and resid 62 and name hd1 ) 1.8 0 3.2 assign (segid A and resid 61 and name hn ) (segid A and resid 62 and name hd2 ) 1.8 0 3.2 assign (segid A and resid 61 and name ha ) (segid A and resid 62 and name hd1 ) 1.8 0 1.0 assign (segid A and resid 61 and name ha ) (segid A and resid 62 and name hd2 ) 1.8 0 1.0 assign (segid A and resid 61 and name ha ) (segid A and resid 62 and name hg1 ) 1.8 0 3.2 assign (segid A and resid 61 and name ha ) (segid A and resid 62 and name hg2 ) 1.8 0 3.2 !.............................Hbonds for Helix 3 (Thr48-Leu61)............................. assign (segid A and resid 51 and name n ) (segid A and resid 47 and name o ) 2.5 0 3.5 assign (segid A and resid 51 and name hn ) (segid A and resid 47 and name o ) 1.5 0 2.5 assign (segid A and resid 52 and name n ) (segid A and resid 48 and name o ) 2.5 0 3.5 assign (segid A and resid 52 and name hn ) (segid A and resid 48 and name o ) 1.5 0 2.5 assign (segid A and resid 53 and name n ) (segid A and resid 49 and name o ) 2.5 0 3.5 assign (segid A and resid 53 and name hn ) (segid A and resid 49 and name o ) 1.5 0 2.5 assign (segid A and resid 54 and name n ) (segid A and resid 50 and name o ) 2.5 0 3.5 assign (segid A and resid 54 and name hn ) (segid A and resid 50 and name o ) 1.5 0 2.5 assign (segid A and resid 55 and name n ) (segid A and resid 51 and name o ) 2.5 0 3.5 assign (segid A and resid 55 and name hn ) (segid A and resid 51 and name o ) 1.5 0 2.5 assign (segid A and resid 56 and name n ) (segid A and resid 52 and name o ) 2.5 0 3.5 assign (segid A and resid 56 and name hn ) (segid A and resid 52 and name o ) 1.5 0 2.5 assign (segid A and resid 57 and name n ) (segid A and resid 53 and name o ) 2.5 0 3.5 assign (segid A and resid 57 and name hn ) (segid A and resid 53 and name o ) 1.5 0 2.5 assign (segid A and resid 58 and name n ) (segid A and resid 54 and name o ) 2.5 0 3.5 assign (segid A and resid 58 and name hn ) (segid A and resid 54 and name o ) 1.5 0 2.5 assign (segid A and resid 59 and name n ) (segid A and resid 55 and name o ) 2.5 0 3.5 assign (segid A and resid 59 and name hn ) (segid A and resid 55 and name o ) 1.5 0 2.5 assign (segid A and resid 60 and name n ) (segid A and resid 56 and name o ) 2.5 0 3.5 assign (segid A and resid 60 and name hn ) (segid A and resid 56 and name o ) 1.5 0 2.5 assign (segid A and resid 61 and name n ) (segid A and resid 57 and name o ) 2.5 0 3.5 assign (segid A and resid 61 and name hn ) (segid A and resid 57 and name o ) 1.5 0 2.5 !.............................Helix 3 (NH-NHi+1)............................. assign (segid A and resid 48 and name hn ) (segid A and resid 49 and name hn ) 1.8 0 3.2 assign (segid A and resid 49 and name hn ) (segid A and resid 50 and name hn ) 1.8 0 1.0 assign (segid A and resid 50 and name hn ) (segid A and resid 51 and name hn ) 1.8 0 1.0 assign (segid A and resid 51 and name hn ) (segid A and resid 52 and name hn ) 1.8 0 1.0 assign (segid A and resid 52 and name hn ) (segid A and resid 53 and name hn ) 1.8 0 1.0 assign (segid A and resid 53 and name hn ) (segid A and resid 54 and name hn ) 1.8 0 1.0 assign (segid A and resid 54 and name hn ) (segid A and resid 55 and name hn ) 1.8 0 1.0 assign (segid A and resid 55 and name hn ) (segid A and resid 56 and name hn ) 1.8 0 1.0 assign (segid A and resid 56 and name hn ) (segid A and resid 57 and name hn ) 1.8 0 1.0 assign (segid A and resid 57 and name hn ) (segid A and resid 58 and name hn ) 1.8 0 1.0 assign (segid A and resid 58 and name hn ) (segid A and resid 59 and name hn ) 1.8 0 1.0 assign (segid A and resid 59 and name hn ) (segid A and resid 60 and name hn ) 1.8 0 1.0 assign (segid A and resid 60 and name hn ) (segid A and resid 61 and name hn ) 1.8 0 1.0 !.............................Helix 3 (NH-NHi+2)............................. assign (segid A and resid 48 and name hn ) (segid A and resid 50 and name hn ) 1.8 0 3.2 assign (segid A and resid 50 and name hn ) (segid A and resid 52 and name hn ) 1.8 0 3.2 assign (segid A and resid 51 and name hn ) (segid A and resid 53 and name hn ) 1.8 0 3.2 assign (segid A and resid 52 and name hn ) (segid A and resid 54 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name hn ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name hn ) (segid A and resid 56 and name hn ) 1.8 0 3.2 assign (segid A and resid 55 and name hn ) (segid A and resid 57 and name hn ) 1.8 0 3.2 assign (segid A and resid 56 and name hn ) (segid A and resid 58 and name hn ) 1.8 0 3.2 assign (segid A and resid 57 and name hn ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 58 and name hn ) (segid A and resid 60 and name hn ) 1.8 0 3.2 assign (segid A and resid 59 and name hn ) (segid A and resid 61 and name hn ) 1.8 0 3.2 !.............................Helix 3 (NH-NHi+3)............................. assign (segid A and resid 48 and name hn ) (segid A and resid 51 and name hn ) 1.8 0 3.2 assign (segid A and resid 49 and name hn ) (segid A and resid 52 and name hn ) 1.8 0 3.2 assign (segid A and resid 52 and name hn ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name hn ) (segid A and resid 57 and name hn ) 1.8 0 3.2 assign (segid A and resid 57 and name hn ) (segid A and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-NHi+3)............................. assign (segid A and resid 48 and name ha ) (segid A and resid 51 and name hn ) 1.8 0 3.2 assign (segid A and resid 49 and name ha ) (segid A and resid 52 and name hn ) 1.8 0 3.2 assign (segid A and resid 50 and name ha ) (segid A and resid 53 and name hn ) 1.8 0 3.2 assign (segid A and resid 51 and name ha ) (segid A and resid 54 and name hn ) 1.8 0 3.2 assign (segid A and resid 52 and name ha ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name ha ) (segid A and resid 56 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name ha ) (segid A and resid 57 and name hn ) 1.8 0 3.2 assign (segid A and resid 55 and name ha ) (segid A and resid 58 and name hn ) 1.8 0 3.2 assign (segid A and resid 56 and name ha ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 57 and name ha ) (segid A and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-NHi+4)............................. assign (segid A and resid 48 and name ha ) (segid A and resid 52 and name hn ) 1.8 0 3.2 assign (segid A and resid 49 and name ha ) (segid A and resid 53 and name hn ) 1.8 0 3.2 assign (segid A and resid 51 and name ha ) (segid A and resid 55 and name hn ) 1.8 0 3.2 assign (segid A and resid 53 and name ha ) (segid A and resid 57 and name hn ) 1.8 0 3.2 assign (segid A and resid 54 and name ha ) (segid A and resid 58 and name hn ) 1.8 0 3.2 assign (segid A and resid 55 and name ha ) (segid A and resid 59 and name hn ) 1.8 0 3.2 assign (segid A and resid 56 and name ha ) (segid A and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-Hbi+3)............................. assign (segid A and resid 51 and name hb ) (segid A and resid 48 and name ha ) 1.8 0 1.5 assign (segid A and resid 52 and name hb* ) (segid A and resid 49 and name ha ) 1.8 0 2.0 assign (segid A and resid 53 and name hb* ) (segid A and resid 50 and name ha ) 1.8 0 2.0 assign (segid A and resid 54 and name hb1 ) (segid A and resid 51 and name ha ) 1.8 0 1.5 assign (segid A and resid 54 and name hb2 ) (segid A and resid 51 and name ha ) 1.8 0 1.5 assign (segid A and resid 55 and name hb1 ) (segid A and resid 52 and name ha ) 1.8 0 1.5 assign (segid A and resid 55 and name hb2 ) (segid A and resid 52 and name ha ) 1.8 0 1.5 assign (segid A and resid 56 and name hb* ) (segid A and resid 53 and name ha ) 1.8 0 2.5 assign (segid A and resid 57 and name hb1 ) (segid A and resid 54 and name ha ) 1.8 0 1.5 assign (segid A and resid 57 and name hb2 ) (segid A and resid 54 and name ha ) 1.8 0 1.5 assign (segid A and resid 58 and name hb1 ) (segid A and resid 55 and name ha ) 1.8 0 1.5 assign (segid A and resid 58 and name hb2 ) (segid A and resid 55 and name ha ) 1.8 0 1.5 assign (segid A and resid 59 and name hb1 ) (segid A and resid 56 and name ha ) 1.8 0 1.5 assign (segid A and resid 59 and name hb2 ) (segid A and resid 56 and name ha ) 1.8 0 1.5 assign (segid A and resid 60 and name hb* ) (segid A and resid 57 and name ha ) 1.8 0 2.0 !................................LONG RANGE NOES................................ !Helix I assign (segid A and resid 4 and name ha ) (segid A and resid 73 and name hb* ) 1.8 0 2.0 assign (segid A and resid 4 and name hb1 ) (segid A and resid 73 and name hb* ) 1.8 0 2.5 assign (segid A and resid 4 and name hb2 ) (segid A and resid 73 and name hb* ) 1.8 0 2.5 assign (segid A and resid 8 and name hg2* ) (segid A and resid 71 and name hb ) 1.8 0 2.0 assign (segid A and resid 8 and name hg2* ) (segid A and resid 71 and name hg1*) 1.8 0 3.5 assign (segid A and resid 8 and name hg2* ) (segid A and resid 71 and name hg2*) 1.8 0 3.5 assign (segid A and resid 7 and name hb* ) (segid A and resid 73 and name hb* ) 1.8 0 2.5 assign (segid A and resid 7 and name hb* ) (segid A and resid 78 and name hb* ) 1.8 0 4.7 assign (segid A and resid 7 and name ha ) (segid A and resid 103 and name hd*) 1.8 0 3.1 assign (segid A and resid 10 and name hb ) (segid A and resid 103 and name hd*) 1.8 0 5.3 assign (segid A and resid 10 and name hg2*) (segid A and resid 103 and name hd*) 1.8 0 4.1 assign (segid A and resid 10 and name hg1*) (segid A and resid 103 and name hd*) 1.8 0 6.3 assign (segid A and resid 10 and name hg1*) (segid A and resid 103 and name hz ) 1.8 0 2.5 assign (segid A and resid 10 and name hg1*) (segid A and resid 103 and name he*) 1.8 0 6.3 assign (segid A and resid 10 and name hg2*) (segid A and resid 109 and name hg2*) 1.8 0 3.5 assign (segid A and resid 10 and name hg2*) (segid A and resid 109 and name ha ) 1.8 0 2.5 assign (segid A and resid 11 and name hg1*) (segid A and resid 67 and name hd1*) 1.8 0 3.5 assign (segid A and resid 11 and name hb ) (segid A and resid 71 and name hg1*) 1.8 0 4.2 assign (segid A and resid 11 and name hb ) (segid A and resid 71 and name hg2*) 1.8 0 4.2 assign (segid A and resid 11 and name hg1*) (segid A and resid 71 and name hg1*) 1.8 0 3.0 assign (segid A and resid 11 and name hg1*) (segid A and resid 71 and name hg2*) 1.8 0 3.5 assign (segid A and resid 11 and name hg2*) (segid A and resid 71 and name hg1*) 1.8 0 5.2 assign (segid A and resid 11 and name hg2*) (segid A and resid 71 and name hg2*) 1.8 0 5.2 assign (segid A and resid 11 and name hg2*) (segid A and resid 78 and name hb* ) 1.8 0 3.0 assign (segid A and resid 11 and name hg1*) (segid A and resid 80 and name hd* ) 1.8 0 4.6 assign (segid A and resid 11 and name hg2*) (segid A and resid 80 and name hd* ) 1.8 0 6.3 assign (segid A and resid 11 and name hg1*) (segid A and resid 80 and name he* ) 1.8 0 6.3 assign (segid A and resid 11 and name hg2*) (segid A and resid 80 and name he* ) 1.8 0 6.3 assign (segid A and resid 11 and name hg1*) (segid A and resid 101 and name he*) 1.8 0 6.3 assign (segid A and resid 11 and name hg2*) (segid A and resid 101 and name he*) 1.8 0 4.6 assign (segid A and resid 11 and name hg2*) (segid A and resid 101 and name hd*) 1.8 0 4.6 assign (segid A and resid 12 and name ha ) (segid A and resid 67 and name hd1*) 1.8 0 4.2 assign (segid A and resid 14 and name he* ) (segid A and resid 80 and name hz ) 1.8 0 5.3 assign (segid A and resid 14 and name he* ) (segid A and resid 80 and name he* ) 1.8 0 7.4 assign (segid A and resid 14 and name he* ) (segid A and resid 55 and name hz ) 1.8 0 3.6 assign (segid A and resid 14 and name he* ) (segid A and resid 55 and name he* ) 1.8 0 7.4 assign (segid A and resid 14 and name he* ) (segid A and resid 99 and name hb1 ) 2.0 0 4.7 assign (segid A and resid 14 and name he* ) (segid A and resid 99 and name hb2 ) 2.0 0 4.7 assign (segid A and resid 14 and name he* ) (segid A and resid 99 and name ht ) 2.0 0 3.7 assign (segid A and resid 14 and name hh ) (segid A and resid 99 and name ht ) 2.4 0 0.4 assign (segid A and resid 15 and name hg1*) (segid A and resid 65 and name hg1*) 1.8 0 3.5 assign (segid A and resid 15 and name hg2*) (segid A and resid 65 and name hg1*) 1.8 0 3.5 assign (segid A and resid 15 and name hg1*) (segid A and resid 65 and name hb ) 1.8 0 2.5 assign (segid A and resid 15 and name hg1*) (segid A and resid 66 and name ha ) 1.8 0 2.5 assign (segid A and resid 15 and name hg2*) (segid A and resid 67 and name hg ) 1.8 0 2.5 assign (segid A and resid 15 and name hg1*) (segid A and resid 67 and name hg ) 1.8 0 2.5 assign (segid A and resid 15 and name hg2*) (segid A and resid 67 and name hd1*) 1.8 0 3.0 assign (segid A and resid 17 and name hb* ) (segid A and resid 26 and name hd* ) 1.8 0 5.2 assign (segid A and resid 17 and name hb* ) (segid A and resid 26 and name hg11) 1.8 0 2.5 assign (segid A and resid 17 and name hb* ) (segid A and resid 26 and name hg12) 1.8 0 2.5 assign (segid A and resid 18 and name hd2*) (segid A and resid 59 and name hd1*) 1.8 0 3.2 assign (segid A and resid 18 and name ha ) (segid A and resid 59 and name hd1*) 1.8 0 3.5 assign (segid A and resid 18 and name hd1*) (segid A and resid 82 and name he* ) 1.8 0 6.3 assign (segid A and resid 18 and name hd2*) (segid A and resid 82 and name hz* ) 1.8 0 4.2 assign (segid A and resid 18 and name hd1*) (segid A and resid 65 and name hg1*) 1.8 0 3.5 assign (segid A and resid 18 and name hd1*) (segid A and resid 55 and name hd* ) 1.8 0 4.6 assign (segid A and resid 18 and name hd1*) (segid A and resid 55 and name he* ) 1.8 0 4.6 assign (segid A and resid 19 and name ha ) (segid A and resid 64 and name ha ) 1.8 0 3.2 assign (segid A and resid 21 and name ha1 ) (segid A and resid 59 and name hd1*) 1.8 0 2.5 assign (segid A and resid 21 and name ha1 ) (segid A and resid 59 and name hd2*) 1.8 0 2.5 assign (segid A and resid 21 and name ha2 ) (segid A and resid 59 and name hd1*) 1.8 0 2.5 assign (segid A and resid 21 and name ha2 ) (segid A and resid 59 and name hd2*) 1.8 0 2.5 assign (segid A and resid 21 and name hn ) (segid A and resid 59 and name hd1*) 1.8 0 4.2 !Helix II assign (segid A and resid 23 and name ha ) (segid A and resid 59 and name hd2*) 1.8 0 4.2 assign (segid A and resid 23 and name hd1*) (segid A and resid 59 and name hd2*) 1.8 0 3.5 assign (segid A and resid 23 and name hb1*) (segid A and resid 59 and name hd2*) 1.8 0 4.2 assign (segid A and resid 23 and name hd1*) (segid A and resid 55 and name hb1 ) 1.8 0 2.0 assign (segid A and resid 23 and name hd1*) (segid A and resid 55 and name hb2 ) 1.8 0 2.0 assign (segid A and resid 23 and name hd1*) (segid A and resid 55 and name ha ) 1.8 0 2.5 assign (segid A and resid 23 and name hd1*) (segid A and resid 55 and name hd* ) 1.8 0 6.3 assign (segid A and resid 23 and name hd2*) (segid A and resid 56 and name ha ) 1.8 0 2.0 assign (segid A and resid 23 and name hd1*) (segid A and resid 56 and name ha ) 1.8 0 2.5 assign (segid A and resid 23 and name hd1*) (segid A and resid 56 and name hn ) 1.8 0 3.5 assign (segid A and resid 23 and name hd2*) (segid A and resid 56 and name hb* ) 1.8 0 3.0 assign (segid A and resid 26 and name hd* ) (segid A and resid 59 and name hd1*) 1.8 0 3.0 assign (segid A and resid 26 and name hd* ) (segid A and resid 59 and name hd2*) 1.8 0 3.5 assign (segid A and resid 26 and name hd* ) (segid A and resid 55 and name hd* ) 1.8 0 4.1 assign (segid A and resid 26 and name hd* ) (segid A and resid 55 and name he* ) 1.8 0 4.1 assign (segid A and resid 26 and name hg2*) (segid A and resid 55 and name hd* ) 1.8 0 6.3 assign (segid A and resid 26 and name hg2*) (segid A and resid 55 and name he* ) 1.8 0 6.3 assign (segid A and resid 26 and name hg2*) (segid A and resid 30 and name he* ) 1.8 0 4.1 assign (segid A and resid 26 and name hd* ) (segid A and resid 30 and name he* ) 1.8 0 6.3 assign (segid A and resid 26 and name hd* ) (segid A and resid 30 and name hz ) 1.8 0 5.3 assign (segid A and resid 26 and name hg2*) (segid A and resid 14 and name he* ) 1.8 0 4.1 assign (segid A and resid 26 and name hg2*) (segid A and resid 14 and name hd* ) 1.8 0 4.6 assign (segid A and resid 27 and name hg2*) (segid A and resid 52 and name ha ) 1.8 0 2.0 assign (segid A and resid 27 and name hg2*) (segid A and resid 51 and name hg2*) 1.8 0 3.5 assign (segid A and resid 27 and name hg1*) (segid A and resid 51 and name hg2*) 1.8 0 5.2 assign (segid A and resid 27 and name ha ) (segid A and resid 51 and name hg2*) 1.8 0 4.2 assign (segid A and resid 27 and name hg1*) (segid A and resid 48 and name hg2*) 1.8 0 3.5 assign (segid A and resid 27 and name hg1*) (segid A and resid 48 and name ha ) 1.8 0 4.2 assign (segid A and resid 29 and name hd2*) (segid A and resid 14 and name ha ) 1.8 0 2.0 assign (segid A and resid 29 and name hd2*) (segid A and resid 14 and name hb1 ) 1.8 0 2.5 assign (segid A and resid 29 and name hd2*) (segid A and resid 14 and name hn ) 1.8 0 2.5 assign (segid A and resid 29 and name hd1*) (segid A and resid 10 and name ha ) 1.8 0 4.2 assign (segid A and resid 29 and name hg ) (segid A and resid 10 and name ha ) 1.8 0 3.2 assign (segid A and resid 29 and name hd1*) (segid A and resid 13 and name hd* ) 1.8 0 3.0 assign (segid A and resid 29 and name hd1*) (segid A and resid 13 and name hn ) 1.8 0 4.2 assign (segid A and resid 29 and name hd1*) (segid A and resid 103 and name he*) 1.8 0 6.3 assign (segid A and resid 30 and name hz ) (segid A and resid 55 and name hz ) 1.8 0 3.2 assign (segid A and resid 30 and name hz ) (segid A and resid 55 and name he* ) 1.8 0 5.3 assign (segid A and resid 30 and name hd* ) (segid A and resid 34 and name hb* ) 1.8 0 4.1 assign (segid A and resid 30 and name he* ) (segid A and resid 34 and name hb* ) 1.8 0 6.3 assign (segid A and resid 30 and name hb1 ) (segid A and resid 34 and name hb* ) 1.8 0 4.2 assign (segid A and resid 30 and name hb2 ) (segid A and resid 34 and name hb* ) 1.8 0 4.2 assign (segid A and resid 30 and name ha ) (segid A and resid 109 and name hb ) 1.8 0 1.5 assign (segid A and resid 30 and name ha ) (segid A and resid 109 and name hn ) 1.8 0 3.2 assign (segid A and resid 30 and name ha ) (segid A and resid 109 and name hg1*) 1.8 0 4.2 assign (segid A and resid 30 and name ha ) (segid A and resid 109 and name hg2*) 1.8 0 4.2 assign (segid A and resid 30 and name hd* ) (segid A and resid 109 and name hg1*) 1.8 0 4.6 assign (segid A and resid 31 and name hn ) (segid A and resid 109 and name hn ) 1.8 0 1.5 !Helix III (thr48-pro62) assign (segid A and resid 33 and name ha ) (segid A and resid 47 and name ha1 ) 1.8 0 1.5 assign (segid A and resid 33 and name ha ) (segid A and resid 47 and name ha2 ) 1.8 0 1.5 assign (segid A and resid 33 and name ha ) (segid A and resid 47 and name hn ) 1.8 0 3.2 assign (segid A and resid 33 and name ha ) (segid A and resid 48 and name hn ) 1.8 0 3.2 assign (segid A and resid 34 and name hb* ) (segid A and resid 51 and name hg2*) 1.8 0 3.0 assign (segid A and resid 34 and name hb* ) (segid A and resid 51 and name hd* ) 1.8 0 3.5 assign (segid A and resid 35 and name ha ) (segid A and resid 51 and name hd* ) 1.8 0 4.2 assign (segid A and resid 36 and name hg1*) (segid A and resid 54 and name he* ) 1.8 0 4.6 assign (segid A and resid 36 and name hg2*) (segid A and resid 54 and name he* ) 1.8 0 6.3 assign (segid A and resid 36 and name hg1*) (segid A and resid 54 and name hd* ) 1.8 0 6.3 assign (segid A and resid 36 and name hg2*) (segid A and resid 54 and name hd* ) 1.8 0 6.3 assign (segid A and resid 36 and name hg2*) (segid A and resid 55 and name he* ) 1.8 0 4.1 assign (segid A and resid 36 and name hg2*) (segid A and resid 55 and name hd* ) 1.8 0 4.1 assign (segid A and resid 86 and name hd* ) (segid A and resid 61 and name hd1*) 1.8 0 4.1 assign (segid A and resid 63 and name hd2*) (segid A and resid 61 and name hd2*) 1.8 0 3.5 assign (segid A and resid 63 and name hd1*) (segid A and resid 61 and name hd2*) 1.8 0 3.5 assign (segid A and resid 88 and name he* ) (segid A and resid 61 and name hd1*) 1.8 0 6.3 assign (segid A and resid 88 and name he* ) (segid A and resid 61 and name hd2*) 1.8 0 6.3 !........................................................................ ! ! SUBSTRATE Interactions w/ KSI !........................................................................ !***** Intramolecular distances within the steroid to keep x-ray conf. !H-H distances:(not based on Noes but measured from xray coordinates) assign (segid C and resid 1 and name H22 ) (segid C and resid 1 and name H10) 2.50 0 0.02 assign (segid C and resid 1 and name H14 ) (segid C and resid 1 and name H61) 2.20 0 0.02 assign (segid C and resid 1 and name H10 ) (segid C and resid 1 and name H62) 3.05 0 0.02 assign (segid C and resid 1 and name H62 ) (segid C and resid 1 and name H8 ) 2.54 0 0.02 assign (segid C and resid 1 and name H10 ) (segid C and resid 1 and name H8 ) 2.91 0 0.02 assign (segid C and resid 1 and name H9 ) (segid C and resid 1 and name H71) 2.47 0 0.02 assign (segid C and resid 1 and name H9 ) (segid C and resid 1 and name H14) 2.34 0 0.02 assign (segid C and resid 1 and name H12 ) (segid C and resid 1 and name H71) 3.74 0 0.02 assign (segid C and resid 1 and name H71 ) (segid C and resid 1 and name H14) 2.53 0 0.02 assign (segid C and resid 1 and name 2H15) (segid C and resid 1 and name H14) 2.99 0 0.02 assign (segid C and resid 1 and name H14 ) (segid C and resid 1 and name 1H15) 2.30 0 0.02 !C-H distances:(4) assign (segid C and resid 1 and name C18 ) (segid C and resid 1 and name H14) 3.51 0 0.02 assign (segid C and resid 1 and name C18 ) (segid C and resid 1 and name 2H15) 2.90 0 0.02 assign (segid C and resid 1 and name C18 ) (segid C and resid 1 and name 1H11) 2.82 0 0.02 !C-C distances:(5) assign (segid C and resid 1 and name C3 ) (segid C and resid 1 and name C10) 2.93 0 0.02 assign (segid C and resid 1 and name C2 ) (segid C and resid 1 and name C5 ) 2.88 0 0.02 assign (segid C and resid 1 and name C5 ) (segid C and resid 1 and name C8 ) 2.84 0 0.02 assign (segid C and resid 1 and name C9 ) (segid C and resid 1 and name C13) 2.98 0 0.02 assign (segid C and resid 1 and name C13 ) (segid C and resid 1 and name C15) 2.41 0 0.02 !.....................Substrate-KSI...................................... assign (segid A and resid 61 and name hd1* ) (segid C and resid 1 and name *h21) 1.8 0 2.5 assign (segid A and resid 61 and name hd1* ) (segid C and resid 1 and name *h22) 1.8 0 3.0 assign (segid A and resid 61 and name hd2* ) (segid C and resid 1 and name *h21) 1.8 0 3.0 assign (segid A and resid 61 and name hd2* ) (segid C and resid 1 and name *h22) 1.8 0 3.0 assign (segid A and resid 121 and name hg2*) (segid C and resid 1 and name *h22) 1.8 0 4.7 assign (segid A and resid 121 and name hg2*) (segid C and resid 1 and name 1h16) 1.8 0 4.2 assign (segid A and resid 121 and name hd* ) (segid C and resid 1 and name *h22) 1.8 0 4.7 assign (segid A and resid 95 and name hg2* ) (segid C and resid 1 and name *h22) 1.8 0 5.2 assign (segid A and resid 95 and name hg2* ) (segid C and resid 1 and name *h21) 1.8 0 5.2 assign (segid A and resid 14 and name he* ) (segid C and resid 1 and name h21 ) 2.1 0 3.2 assign (segid A and resid 14 and name he* ) (segid C and resid 1 and name h22 ) 3.2 0 3.2 !..............................................................................................! ! KSI MONOMER 2 ! !..............................................................................................! ! Strand 1 thru Strand 2 (A34-G47) !Ala34 assign (segid B and resid 34 and name ha ) (segid B and resid 34 and name hn ) 1.8 0 2.5 assign (segid B and resid 34 and name hb* ) (segid B and resid 34 and name hn ) 1.8 0 2.0 assign (segid B and resid 34 and name hb* ) (segid B and resid 34 and name ha ) 1.8 0 2.0 assign (segid B and resid 33 and name hn ) (segid B and resid 34 and name hn ) 1.8 0 1.0 assign (segid B and resid 33 and name ha ) (segid B and resid 34 and name hn ) 1.8 0 1.5 assign (segid B and resid 33 and name hb2 ) (segid B and resid 34 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name ha ) (segid B and resid 34 and name hn ) 1.8 0 3.2 assign (segid B and resid 31 and name ha ) (segid B and resid 34 and name hn ) 1.8 0 3.2 assign (segid B and resid 31 and name hb* ) (segid B and resid 34 and name hn ) 1.8 0 2.5 !Thr35 assign (segid B and resid 35 and name ha ) (segid B and resid 35 and name hn ) 1.8 0 3.2 assign (segid B and resid 35 and name hb ) (segid B and resid 35 and name hn ) 1.8 0 3.2 assign (segid B and resid 35 and name hg2*) (segid B and resid 35 and name hn ) 1.8 0 2.5 assign (segid B and resid 35 and name ha ) (segid B and resid 35 and name hb ) 1.8 0 1.0 assign (segid B and resid 35 and name ha ) (segid B and resid 35 and name hg2*) 1.8 0 2.0 assign (segid B and resid 34 and name ha ) (segid B and resid 35 and name hn ) 1.8 0 1.0 assign (segid B and resid 34 and name hb* ) (segid B and resid 35 and name hn ) 1.8 0 2.0 assign (segid B and resid 34 and name hb* ) (segid B and resid 35 and name ha ) 1.8 0 4.2 assign (segid B and resid 34 and name hn ) (segid B and resid 35 and name hn ) 1.8 0 3.2 !Val36 assign (segid B and resid 36 and name ha ) (segid B and resid 36 and name hn ) 1.8 0 3.2 assign (segid B and resid 36 and name hb ) (segid B and resid 36 and name hn ) 1.8 0 1.5 assign (segid B and resid 36 and name hg2*) (segid B and resid 36 and name hn ) 1.8 0 2.5 assign (segid B and resid 36 and name hg1*) (segid B and resid 36 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name hg2*) (segid B and resid 36 and name ha ) 1.8 0 4.2 assign (segid B and resid 36 and name hg1*) (segid B and resid 36 and name ha ) 1.8 0 2.5 assign (segid B and resid 36 and name hb ) (segid B and resid 36 and name ha ) 1.8 0 3.2 assign (segid B and resid 35 and name ha ) (segid B and resid 36 and name hn ) 1.8 0 1.0 assign (segid B and resid 35 and name hg2*) (segid B and resid 36 and name hn ) 1.8 0 2.5 assign (segid B and resid 35 and name hb ) (segid B and resid 36 and name hn ) 1.8 0 1.5 !Glu37 assign (segid B and resid 37 and name ha ) (segid B and resid 37 and name hn ) 1.8 0 3.2 assign (segid B and resid 37 and name hb* ) (segid B and resid 37 and name hn ) 1.8 0 2.5 assign (segid B and resid 37 and name hg* ) (segid B and resid 37 and name hn ) 1.8 0 2.5 assign (segid B and resid 37 and name hb* ) (segid B and resid 37 and name ha ) 1.8 0 3.0 assign (segid B and resid 37 and name hg* ) (segid B and resid 37 and name ha ) 1.8 0 3.7 assign (segid B and resid 36 and name ha ) (segid B and resid 37 and name hn ) 1.8 0 1.0 assign (segid B and resid 36 and name hg1*) (segid B and resid 37 and name hn ) 1.8 0 2.5 assign (segid B and resid 36 and name hg2*) (segid B and resid 37 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name hb ) (segid B and resid 37 and name hn ) 1.8 0 3.2 assign (segid B and resid 35 and name hg2*) (segid B and resid 37 and name hg* ) 1.8 0 4.7 !Asp38 assign (segid B and resid 38 and name ha ) (segid B and resid 38 and name hn ) 1.8 0 3.2 assign (segid B and resid 38 and name hb2 ) (segid B and resid 38 and name hn ) 1.8 0 1.5 assign (segid B and resid 38 and name hb1 ) (segid B and resid 38 and name hn ) 1.8 0 3.2 assign (segid B and resid 38 and name hb1 ) (segid B and resid 38 and name ha ) 1.8 0 1.5 assign (segid B and resid 38 and name hb2 ) (segid B and resid 38 and name ha ) 1.8 0 3.2 assign (segid B and resid 37 and name ha ) (segid B and resid 38 and name hn ) 1.8 0 1.0 assign (segid B and resid 37 and name hb* ) (segid B and resid 38 and name hn ) 1.8 0 3.0 assign (segid B and resid 37 and name hg* ) (segid B and resid 38 and name hn ) 1.8 0 4.7 assign (segid B and resid 37 and name hn ) (segid B and resid 38 and name hn ) 1.8 0 3.2 assign (segid B and resid 37 and name hn ) (segid B and resid 38 and name hb1 ) 1.8 0 3.2 assign (segid B and resid 36 and name hg1*) (segid B and resid 38 and name hn ) 1.8 0 4.2 !Pro39 (CIS-Conformation) assign (segid B and resid 39 and name hb* ) (segid B and resid 39 and name ha ) 1.8 0 1.5 assign (segid B and resid 39 and name hd* ) (segid B and resid 39 and name ha ) 1.8 0 3.7 assign (segid B and resid 38 and name ha ) (segid B and resid 39 and name ha ) 2.2 0 0.6 !Val40 assign (segid B and resid 40 and name ha ) (segid B and resid 40 and name hn ) 1.8 0 3.2 assign (segid B and resid 40 and name hb ) (segid B and resid 40 and name hn ) 1.8 0 3.2 assign (segid B and resid 40 and name hg1*) (segid B and resid 40 and name hn ) 1.8 0 2.5 assign (segid B and resid 40 and name hg2*) (segid B and resid 40 and name hn ) 1.8 0 2.5 assign (segid B and resid 40 and name hb ) (segid B and resid 40 and name ha ) 1.8 0 3.2 assign (segid B and resid 40 and name hg2*) (segid B and resid 40 and name ha ) 1.8 0 2.0 assign (segid B and resid 40 and name hg1*) (segid B and resid 40 and name ha ) 1.8 0 2.5 assign (segid B and resid 39 and name ha ) (segid B and resid 40 and name hn ) 1.8 0 3.2 assign (segid B and resid 39 and name hb* ) (segid B and resid 40 and name hn ) 1.8 0 3.7 assign (segid B and resid 39 and name ha ) (segid B and resid 40 and name hg2*) 1.8 0 4.2 !Gly41 assign (segid B and resid 41 and name ha1 ) (segid B and resid 41 and name hn ) 1.8 0 1.5 assign (segid B and resid 41 and name ha2 ) (segid B and resid 41 and name hn ) 1.8 0 1.0 assign (segid B and resid 40 and name hn ) (segid B and resid 41 and name hn ) 1.8 0 3.2 assign (segid B and resid 40 and name ha ) (segid B and resid 41 and name hn ) 1.8 0 1.0 assign (segid B and resid 40 and name hb ) (segid B and resid 41 and name hn ) 1.8 0 3.2 !Ser42 assign (segid B and resid 42 and name ha ) (segid B and resid 42 and name hn ) 1.8 0 3.2 assign (segid B and resid 42 and name hb1 ) (segid B and resid 42 and name hn ) 1.8 0 3.2 assign (segid B and resid 42 and name hb2 ) (segid B and resid 42 and name hn ) 1.8 0 1.5 assign (segid B and resid 42 and name hb1 ) (segid B and resid 42 and name ha ) 1.8 0 1.0 assign (segid B and resid 42 and name hb2 ) (segid B and resid 42 and name ha ) 1.8 0 3.2 assign (segid B and resid 41 and name hn ) (segid B and resid 42 and name hn ) 1.8 0 1.0 assign (segid B and resid 41 and name ha2 ) (segid B and resid 42 and name hn ) 1.8 0 1.5 assign (segid B and resid 41 and name ha1 ) (segid B and resid 42 and name hn ) 1.8 0 3.2 !Glu43 assign (segid B and resid 43 and name ha ) (segid B and resid 43 and name hn ) 1.8 0 3.2 assign (segid B and resid 43 and name hg* ) (segid B and resid 43 and name hn ) 1.8 0 4.7 assign (segid B and resid 43 and name hb* ) (segid B and resid 43 and name hn ) 1.8 0 2.5 assign (segid B and resid 43 and name hg* ) (segid B and resid 43 and name hn ) 1.8 0 1.5 assign (segid B and resid 43 and name hb* ) (segid B and resid 43 and name hn ) 1.8 0 3.7 assign (segid B and resid 42 and name hn ) (segid B and resid 43 and name hn ) 1.8 0 3.2 assign (segid B and resid 42 and name hb2 ) (segid B and resid 43 and name hn ) 1.8 0 3.2 assign (segid B and resid 42 and name hb1 ) (segid B and resid 43 and name hn ) 1.8 0 3.2 assign (segid B and resid 42 and name ha ) (segid B and resid 43 and name hn ) 1.8 0 1.5 !Pro44 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hd1 ) 1.8 0 3.2 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hd2 ) 1.8 0 3.2 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hb1 ) 1.8 0 1.0 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hb2 ) 1.8 0 1.0 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hg1 ) 1.8 0 2.5 assign (segid B and resid 44 and name ha ) (segid B and resid 44 and name hg2 ) 1.8 0 2.5 assign (segid B and resid 43 and name ha ) (segid B and resid 44 and name hd1 ) 1.8 0 1.0 assign (segid B and resid 43 and name ha ) (segid B and resid 44 and name hd2 ) 1.8 0 1.0 !Arg45 assign (segid B and resid 45 and name ha ) (segid B and resid 45 and name hn ) 1.8 0 3.2 assign (segid B and resid 45 and name hg* ) (segid B and resid 45 and name ha ) 1.8 0 1.5 assign (segid B and resid 45 and name hb* ) (segid B and resid 45 and name ha ) 1.8 0 2.0 assign (segid B and resid 45 and name hb* ) (segid B and resid 45 and name hn ) 1.8 0 1.5 assign (segid B and resid 44 and name ha ) (segid B and resid 45 and name hn ) 1.8 0 1.0 assign (segid B and resid 44 and name hb* ) (segid B and resid 45 and name hn ) 1.8 0 2.5 assign (segid B and resid 44 and name hg2 ) (segid B and resid 45 and name hn ) 1.8 0 3.2 !Ser46 assign (segid B and resid 46 and name ha ) (segid B and resid 46 and name hn ) 1.8 0 3.2 assign (segid B and resid 46 and name hb1 ) (segid B and resid 46 and name hn ) 1.8 0 1.5 assign (segid B and resid 46 and name hb2 ) (segid B and resid 46 and name hn ) 1.8 0 1.5 assign (segid B and resid 46 and name hb1 ) (segid B and resid 46 and name ha ) 1.8 0 1.0 assign (segid B and resid 46 and name hb2 ) (segid B and resid 46 and name ha ) 1.8 0 1.0 assign (segid B and resid 35 and name hg2*) (segid B and resid 46 and name hb1 ) 1.8 0 2.0 assign (segid B and resid 35 and name hg2*) (segid B and resid 46 and name hb2 ) 1.8 0 2.5 assign (segid B and resid 45 and name hn ) (segid B and resid 46 and name hb1 ) 1.8 0 3.2 assign (segid B and resid 45 and name ha ) (segid B and resid 46 and name hn ) 1.8 0 1.0 assign (segid B and resid 45 and name hd* ) (segid B and resid 46 and name hn ) 1.8 0 3.7 !Gly47 assign (segid B and resid 47 and name ha1 ) (segid B and resid 47 and name hn ) 1.8 0 1.5 assign (segid B and resid 47 and name ha2 ) (segid B and resid 47 and name hn ) 1.8 0 1.5 assign (segid B and resid 46 and name hn ) (segid B and resid 47 and name hn ) 1.8 0 3.2 assign (segid B and resid 46 and name ha ) (segid B and resid 47 and name hn ) 1.8 0 1.0 assign (segid B and resid 46 and name hb1 ) (segid B and resid 47 and name hn ) 1.8 0 3.2 assign (segid B and resid 46 and name hb2 ) (segid B and resid 47 and name hn ) 1.8 0 3.2 !H-bonds between Strand-1--Strand-2 assign (segid B and resid 47 and name n ) (segid B and resid 34 and name o ) 2.5 0 3.5 assign (segid B and resid 47 and name hn ) (segid B and resid 34 and name o ) 1.5 0 2.5 assign (segid B and resid 36 and name n ) (segid B and resid 45 and name o ) 2.5 0 3.5 assign (segid B and resid 36 and name hn ) (segid B and resid 45 and name o ) 1.5 0 2.5 assign (segid B and resid 45 and name n ) (segid B and resid 36 and name o ) 2.5 0 3.5 assign (segid B and resid 45 and name hn ) (segid B and resid 36 and name o ) 1.5 0 2.5 !Strands 1 and 2 long range noes CHECK NOES WITH 2.5 INNER LIMIT assign (segid B and resid 47 and name hn ) (segid B and resid 34 and name hn ) 1.8 0 3.2 assign (segid B and resid 46 and name ha ) (segid B and resid 35 and name ha ) 1.8 0 1.0 assign (segid B and resid 46 and name hb1 ) (segid B and resid 35 and name ha ) 1.8 0 3.2 assign (segid B and resid 46 and name hb2 ) (segid B and resid 35 and name ha ) 1.8 0 3.2 assign (segid B and resid 45 and name hn ) (segid B and resid 36 and name hn ) 1.8 0 1.5 assign (segid B and resid 46 and name ha ) (segid B and resid 36 and name hn ) 1.8 0 3.2 assign (segid B and resid 45 and name hb* ) (segid B and resid 36 and name hn ) 1.8 0 4.2 assign (segid B and resid 44 and name ha ) (segid B and resid 37 and name ha ) 1.8 0 1.0 assign (segid B and resid 44 and name hb* ) (segid B and resid 37 and name ha ) 1.8 0 2.0 assign (segid B and resid 44 and name ha ) (segid B and resid 38 and name hn ) 1.8 0 1.0 assign (segid B and resid 44 and name hd1 ) (segid B and resid 38 and name hn ) 1.8 0 3.2 assign (segid B and resid 44 and name hd2 ) (segid B and resid 38 and name hn ) 1.8 0 3.2 assign (segid B and resid 38 and name hn ) (segid B and resid 45 and name hn ) 1.8 0 3.2 assign (segid B and resid 36 and name hg1*) (segid B and resid 45 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name hg2*) (segid B and resid 45 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name hb ) (segid B and resid 45 and name hn ) 1.8 0 3.2 assign (segid B and resid 35 and name hb ) (segid B and resid 46 and name ha ) 1.8 0 3.2 assign (segid B and resid 35 and name hg2*) (segid B and resid 46 and name ha ) 1.8 0 2.5 assign (segid B and resid 35 and name hg2*) (segid B and resid 47 and name hn ) 1.8 0 4.2 !..................Strand 7 (S111-L115)......................... !Ser111 assign (segid B and resid 111 and name ha ) (segid B and resid 111 and name hn ) 1.8 0 1.5 assign (segid B and resid 111 and name hb1) (segid B and resid 111 and name hn ) 1.8 0 3.2 assign (segid B and resid 111 and name hb2) (segid B and resid 111 and name hn ) 1.8 0 3.2 assign (segid B and resid 111 and name hb1) (segid B and resid 111 and name ha ) 1.8 0 1.0 assign (segid B and resid 109 and name ha ) (segid B and resid 111 and name hn ) 1.8 0 3.2 assign (segid B and resid 110 and name hn ) (segid B and resid 111 and name hn ) 1.8 0 1.0 assign (segid B and resid 110 and name ha ) (segid B and resid 111 and name hn ) 1.8 0 3.2 assign (segid B and resid 110 and name hg1*) (segid B and resid 111 and name hn) 1.8 0 3.2 !Met112 assign (segid B and resid 112 and name ha ) (segid B and resid 112 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name hb1) (segid B and resid 112 and name hn ) 1.8 0 2.5 assign (segid B and resid 112 and name hb2) (segid B and resid 112 and name hn ) 1.8 0 2.5 assign (segid B and resid 112 and name hg1) (segid B and resid 112 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name hg2) (segid B and resid 112 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name hb1) (segid B and resid 112 and name ha ) 1.8 0 3.2 assign (segid B and resid 112 and name hb2) (segid B and resid 112 and name ha ) 1.8 0 3.2 assign (segid B and resid 112 and name hg1) (segid B and resid 112 and name ha ) 1.8 0 1.5 assign (segid B and resid 112 and name hg2) (segid B and resid 112 and name ha ) 1.8 0 1.5 assign (segid B and resid 111 and name hn ) (segid B and resid 112 and name hn ) 1.8 0 4.7 assign (segid B and resid 111 and name ha ) (segid B and resid 112 and name hn ) 1.8 0 1.0 assign (segid B and resid 111 and name hb2) (segid B and resid 112 and name hn ) 1.8 0 3.2 !Arg113 assign (segid B and resid 113 and name ha ) (segid B and resid 113 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name ha ) (segid B and resid 113 and name hn ) 1.8 0 1.0 assign (segid B and resid 112 and name hb2) (segid B and resid 113 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name hg1) (segid B and resid 113 and name hn ) 1.8 0 1.5 assign (segid B and resid 112 and name hg2) (segid B and resid 113 and name hn ) 1.8 0 1.0 !Ala114 assign (segid B and resid 114 and name ha ) (segid B and resid 114 and name hn ) 1.8 0 3.2 assign (segid B and resid 114 and name hb*) (segid B and resid 114 and name hn ) 1.8 0 2.0 assign (segid B and resid 114 and name hb*) (segid B and resid 114 and name ha ) 1.8 0 2.0 assign (segid B and resid 113 and name ha ) (segid B and resid 114 and name hn ) 1.8 0 1.0 !Leu115 assign (segid B and resid 115 and name ha ) (segid B and resid 115 and name hn ) 1.8 0 1.5 assign (segid B and resid 115 and name hb*) (segid B and resid 115 and name hn ) 1.8 0 1.5 assign (segid B and resid 115 and name hg ) (segid B and resid 115 and name hn ) 1.8 0 3.2 assign (segid B and resid 115 and name hd1*) (segid B and resid 115 and name hn) 1.8 0 4.2 assign (segid B and resid 115 and name hd2*) (segid B and resid 115 and name hn) 1.8 0 4.2 assign (segid B and resid 115 and name hb*) (segid B and resid 115 and name ha ) 1.8 0 3.2 assign (segid B and resid 115 and name hg ) (segid B and resid 115 and name ha ) 1.8 0 1.0 assign (segid B and resid 115 and name hd1*) (segid B and resid 115 and name ha) 1.8 0 2.0 assign (segid B and resid 115 and name hd2*) (segid B and resid 115 and name ha) 1.8 0 2.5 assign (segid B and resid 114 and name ha ) (segid B and resid 115 and name hn ) 1.8 0 1.0 assign (segid B and resid 114 and name hb*) (segid B and resid 115 and name hn ) 1.8 0 2.0 !Phe116 assign (segid B and resid 116 and name ha ) (segid B and resid 116 and name hn ) 1.8 0 3.2 assign (segid B and resid 116 and name hd*) (segid B and resid 116 and name hn ) 1.8 0 3.6 assign (segid B and resid 116 and name hb2) (segid B and resid 116 and name hn ) 1.8 0 3.2 assign (segid B and resid 116 and name hb1) (segid B and resid 116 and name ha ) 1.8 0 3.2 assign (segid B and resid 116 and name hb2) (segid B and resid 116 and name ha ) 1.8 0 3.2 assign (segid B and resid 116 and name hd*) (segid B and resid 116 and name ha ) 1.8 0 5.3 assign (segid B and resid 115 and name ha ) (segid B and resid 116 and name hn ) 1.8 0 1.0 assign (segid B and resid 115 and name hb*) (segid B and resid 116 and name hn ) 1.8 0 2.0 assign (segid B and resid 115 and name hg ) (segid B and resid 116 and name hn ) 1.8 0 1.0 assign (segid B and resid 115 and name hd2*) (segid B and resid 116 and name hn) 1.8 0 2.5 assign (segid B and resid 117 and name hn ) (segid B and resid 116 and name hn ) 1.8 0 3.2 !STRANDS 1 to 7 (H-BOND) assign (segid B and resid 114 and name n ) (segid B and resid 37 and name o ) 2.5 0 3.5 assign (segid B and resid 114 and name hn ) (segid B and resid 37 and name o ) 1.5 0 2.5 assign (segid B and resid 37 and name n ) (segid B and resid 112 and name o ) 2.5 0 3.5 assign (segid B and resid 37 and name hn ) (segid B and resid 112 and name o ) 1.5 0 2.5 assign (segid B and resid 112 and name n ) (segid B and resid 35 and name o ) 2.5 0 3.5 assign (segid B and resid 112 and name hn ) (segid B and resid 35 and name o ) 1.5 0 2.5 !STRANDS 1 and 7 LONG RANGE NOES assign (segid B and resid 34 and name ha ) (segid B and resid 110 and name ha ) 1.8 0 1.5 assign (segid B and resid 34 and name hb* ) (segid B and resid 110 and name ha ) 1.8 0 2.5 assign (segid B and resid 34 and name hb*) (segid B and resid 110 and name hg1*) 1.8 0 4.2 assign (segid B and resid 34 and name hb* ) (segid B and resid 110 and name hb ) 1.8 0 4.2 assign (segid B and resid 34 and name hb* ) (segid B and resid 111 and name ha ) 1.8 0 2.5 assign (segid B and resid 35 and name hn ) (segid B and resid 111 and name hb2) 1.8 0 3.2 assign (segid B and resid 35 and name hn ) (segid B and resid 111 and name ha ) 1.8 0 1.5 assign (segid B and resid 35 and name hn ) (segid B and resid 111 and name hb2) 1.8 0 3.2 assign (segid B and resid 35 and name hn ) (segid B and resid 112 and name hn ) 1.8 0 3.2 assign (segid B and resid 34 and name hb* ) (segid B and resid 112 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name hg2*) (segid B and resid 112 and name hn ) 1.8 0 4.2 assign (segid B and resid 36 and name ha ) (segid B and resid 113 and name ha ) 2.5 0 3.2 assign (segid B and resid 37 and name hn ) (segid B and resid 113 and name ha ) 1.8 0 3.2 assign (segid B and resid 37 and name hn ) (segid B and resid 114 and name hn ) 1.8 0 3.2 assign (segid B and resid 37 and name hb* ) (segid B and resid 114 and name hn ) 1.8 0 4.2 assign (segid B and resid 38 and name ha ) (segid B and resid 114 and name hb*) 1.8 0 2.5 assign (segid B and resid 38 and name ha ) (segid B and resid 114 and name hn ) 1.8 0 3.2 assign (segid B and resid 38 and name hb1 ) (segid B and resid 114 and name hb*) 1.8 0 4.2 assign (segid B and resid 39 and name hb* ) (segid B and resid 116 and name he*) 1.8 0 5.8 assign (segid B and resid 39 and name ha ) (segid B and resid 116 and name he*) 1.8 0 5.3 !........................STRAND 3 (L63-L67)................................ !Leu63 assign (segid B and resid 63 and name ha ) (segid B and resid 63 and name hn ) 1.8 0 3.2 assign (segid B and resid 63 and name hg ) (segid B and resid 63 and name hn ) 1.8 0 1.0 assign (segid B and resid 63 and name hb2 ) (segid B and resid 63 and name hn ) 1.8 0 3.2 assign (segid B and resid 63 and name hb1 ) (segid B and resid 63 and name ha ) 1.8 0 1.0 assign (segid B and resid 63 and name hb2 ) (segid B and resid 63 and name ha ) 1.8 0 1.0 assign (segid B and resid 63 and name hd1*) (segid B and resid 63 and name hn ) 1.8 0 2.5 assign (segid B and resid 63 and name hd2*) (segid B and resid 63 and name hn ) 1.8 0 4.2 assign (segid B and resid 63 and name hd1*) (segid B and resid 63 and name ha ) 1.8 0 4.2 assign (segid B and resid 63 and name hd2*) (segid B and resid 63 and name ha ) 1.8 0 2.5 assign (segid B and resid 62 and name ha ) (segid B and resid 63 and name hn ) 1.8 0 1.0 assign (segid B and resid 62 and name hd2 ) (segid B and resid 63 and name hn ) 1.8 0 4.7 assign (segid B and resid 62 and name hg* ) (segid B and resid 63 and name hn ) 1.8 0 4.2 assign (segid B and resid 62 and name hb* ) (segid B and resid 63 and name hn ) 1.8 0 2.5 !Ala64 assign (segid B and resid 64 and name ha ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 64 and name hb* ) (segid B and resid 64 and name hn ) 1.8 0 4.2 assign (segid B and resid 64 and name hb* ) (segid B and resid 64 and name ha ) 1.8 0 2.0 assign (segid B and resid 63 and name ha ) (segid B and resid 64 and name hn ) 1.8 0 1.0 assign (segid B and resid 63 and name hg ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 63 and name hb1 ) (segid B and resid 64 and name hn ) 1.8 0 1.5 assign (segid B and resid 63 and name hb2 ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 63 and name hd1*) (segid B and resid 64 and name hn ) 1.8 0 4.2 assign (segid B and resid 63 and name hn ) (segid B and resid 64 and name hn ) 1.8 0 3.2 !Val65 assign (segid B and resid 65 and name ha ) (segid B and resid 65 and name hn ) 1.8 0 3.2 assign (segid B and resid 65 and name hb ) (segid B and resid 65 and name hn ) 1.8 0 1.5 assign (segid B and resid 65 and name hg1*) (segid B and resid 65 and name hn ) 1.8 0 4.2 assign (segid B and resid 65 and name hg2*) (segid B and resid 65 and name hn ) 1.8 0 2.5 assign (segid B and resid 65 and name hg1*) (segid B and resid 65 and name ha ) 1.8 0 2.5 assign (segid B and resid 65 and name hg2*) (segid B and resid 65 and name ha ) 1.8 0 2.5 assign (segid B and resid 64 and name ha ) (segid B and resid 65 and name hn ) 1.8 0 1.0 assign (segid B and resid 64 and name hb* ) (segid B and resid 65 and name hn ) 1.8 0 2.0 assign (segid B and resid 64 and name ha ) (segid B and resid 65 and name hg2*) 1.8 0 4.2 !Glu66 assign (segid B and resid 66 and name ha ) (segid B and resid 66 and name hn ) 1.8 0 3.2 assign (segid B and resid 66 and name hb1 ) (segid B and resid 66 and name hn ) 1.8 0 1.5 assign (segid B and resid 66 and name hb2 ) (segid B and resid 66 and name hn ) 1.8 0 3.2 assign (segid B and resid 66 and name hg* ) (segid B and resid 66 and name hn ) 1.8 0 3.2 assign (segid B and resid 66 and name hb1 ) (segid B and resid 66 and name ha ) 1.8 0 1.5 assign (segid B and resid 66 and name hb2 ) (segid B and resid 66 and name ha ) 1.8 0 1.5 assign (segid B and resid 66 and name hg* ) (segid B and resid 66 and name ha ) 1.8 0 1.0 assign (segid B and resid 65 and name ha ) (segid B and resid 66 and name hn ) 1.8 0 1.0 assign (segid B and resid 65 and name hg1*) (segid B and resid 66 and name hn ) 1.8 0 2.0 assign (segid B and resid 65 and name hg2*) (segid B and resid 66 and name hn ) 1.8 0 4.2 assign (segid B and resid 65 and name hg1*) (segid B and resid 66 and name ha ) 1.8 0 4.2 !Leu67 assign (segid B and resid 67 and name ha ) (segid B and resid 67 and name hn ) 1.8 0 3.2 assign (segid B and resid 67 and name hb2 ) (segid B and resid 67 and name hn ) 1.8 0 1.5 assign (segid B and resid 67 and name hg ) (segid B and resid 67 and name hn ) 1.8 0 1.0 assign (segid B and resid 67 and name hd1*) (segid B and resid 67 and name hn ) 1.8 0 2.0 assign (segid B and resid 67 and name hd1*) (segid B and resid 67 and name ha ) 1.8 0 2.5 assign (segid B and resid 67 and name hb1 ) (segid B and resid 67 and name ha ) 1.8 0 1.0 assign (segid B and resid 67 and name hb2 ) (segid B and resid 67 and name ha ) 1.8 0 1.0 assign (segid B and resid 67 and name hg ) (segid B and resid 67 and name ha ) 1.8 0 4.2 assign (segid B and resid 66 and name ha ) (segid B and resid 67 and name hn ) 1.8 0 1.0 assign (segid B and resid 66 and name hg* ) (segid B and resid 67 and name hn ) 1.8 0 4.2 assign (segid B and resid 66 and name hb2 ) (segid B and resid 67 and name hn ) 1.8 0 3.2 !........................STRAND 4 (V71-A75)................................ !kink between Strands 3 & 4 (Thr68-Glu70) !Thr68 assign (segid B and resid 68 and name ha ) (segid B and resid 68 and name hn ) 1.8 0 1.5 assign (segid B and resid 68 and name hb ) (segid B and resid 68 and name hn ) 1.8 0 3.2 assign (segid B and resid 68 and name hg2*) (segid B and resid 68 and name hn ) 1.8 0 2.5 assign (segid B and resid 68 and name hb ) (segid B and resid 68 and name ha ) 1.8 0 3.2 assign (segid B and resid 68 and name hg2*) (segid B and resid 68 and name ha ) 1.8 0 2.0 assign (segid B and resid 67 and name hn ) (segid B and resid 68 and name hn ) 1.8 0 3.2 assign (segid B and resid 67 and name ha ) (segid B and resid 68 and name hn ) 1.8 0 1.5 assign (segid B and resid 67 and name hb* ) (segid B and resid 68 and name hn ) 1.8 0 1.0 assign (segid B and resid 67 and name hd* ) (segid B and resid 68 and name hn ) 1.8 0 3.2 assign (segid B and resid 67 and name ha ) (segid B and resid 68 and name hg2*) 1.8 0 4.2 !Gln69 assign (segid B and resid 69 and name ha ) (segid B and resid 69 and name hn ) 1.8 0 3.2 assign (segid B and resid 69 and name hg2 ) (segid B and resid 69 and name hn ) 1.8 0 1.5 assign (segid B and resid 69 and name hb1 ) (segid B and resid 69 and name hn ) 1.8 0 1.0 assign (segid B and resid 69 and name hb1 ) (segid B and resid 69 and name ha ) 1.8 0 1.5 assign (segid B and resid 69 and name hb2 ) (segid B and resid 69 and name ha ) 1.8 0 1.5 assign (segid B and resid 69 and name hg* ) (segid B and resid 69 and name ha ) 1.8 0 3.7 assign (segid B and resid 68 and name hn ) (segid B and resid 69 and name hn ) 1.8 0 1.0 assign (segid B and resid 68 and name ha ) (segid B and resid 69 and name hn ) 1.8 0 1.5 assign (segid B and resid 68 and name hb ) (segid B and resid 69 and name hn ) 1.8 0 3.2 assign (segid B and resid 68 and name hg2*) (segid B and resid 69 and name hn ) 1.8 0 4.2 !Glu70(E70 HN is exchanged away, no diagonal, so peaks are weaker than should be) assign (segid B and resid 70 and name ha ) (segid B and resid 70 and name hn ) 1.8 0 3.2 assign (segid B and resid 70 and name hb1 ) (segid B and resid 70 and name hn ) 1.8 0 1.0 assign (segid B and resid 70 and name hb2 ) (segid B and resid 70 and name hn ) 1.8 0 1.0 assign (segid B and resid 70 and name hg1 ) (segid B and resid 70 and name hn ) 1.8 0 3.2 assign (segid B and resid 70 and name hg2 ) (segid B and resid 70 and name hn ) 1.8 0 3.2 assign (segid B and resid 70 and name hg1 ) (segid B and resid 70 and name ha ) 1.8 0 1.0 assign (segid B and resid 70 and name hg2 ) (segid B and resid 70 and name ha ) 1.8 0 1.0 assign (segid B and resid 70 and name hb1 ) (segid B and resid 70 and name ha ) 1.8 0 3.2 assign (segid B and resid 70 and name hb2 ) (segid B and resid 70 and name ha ) 1.8 0 3.2 assign (segid B and resid 69 and name hn ) (segid B and resid 70 and name hn ) 1.8 0 3.2 assign (segid B and resid 69 and name ha ) (segid B and resid 70 and name hn ) 1.8 0 3.2 assign (segid B and resid 69 and name hg1 ) (segid B and resid 70 and name hn ) 1.8 0 1.5 assign (segid B and resid 69 and name hb2 ) (segid B and resid 70 and name hn ) 1.8 0 1.5 !Val71 assign (segid B and resid 71 and name ha ) (segid B and resid 71 and name hn ) 1.8 0 3.2 assign (segid B and resid 71 and name hb ) (segid B and resid 71 and name hn ) 1.8 0 1.5 assign (segid B and resid 71 and name hg2*) (segid B and resid 71 and name hn ) 1.8 0 2.0 assign (segid B and resid 71 and name hg1*) (segid B and resid 71 and name hn ) 1.8 0 2.5 assign (segid B and resid 71 and name hb ) (segid B and resid 71 and name ha ) 1.8 0 3.2 assign (segid B and resid 71 and name hg1*) (segid B and resid 71 and name ha ) 1.8 0 2.0 assign (segid B and resid 71 and name hg2*) (segid B and resid 71 and name ha ) 1.8 0 2.0 assign (segid B and resid 70 and name ha ) (segid B and resid 71 and name hn ) 1.8 0 1.0 assign (segid B and resid 70 and name hb1 ) (segid B and resid 71 and name hn ) 1.8 0 3.2 assign (segid B and resid 70 and name hb2 ) (segid B and resid 71 and name hn ) 1.8 0 3.2 assign (segid B and resid 70 and name hg1 ) (segid B and resid 71 and name hn ) 1.8 0 1.5 assign (segid B and resid 70 and name hg2 ) (segid B and resid 71 and name hn ) 1.8 0 1.5 !Arg72 (incomplete system) assign (segid B and resid 72 and name ha ) (segid B and resid 72 and name hn ) 1.8 0 3.2 assign (segid B and resid 71 and name ha ) (segid B and resid 72 and name hn ) 1.8 0 1.0 assign (segid B and resid 71 and name hb ) (segid B and resid 72 and name hn ) 1.8 0 3.2 assign (segid B and resid 71 and name hg1*) (segid B and resid 72 and name hn ) 1.8 0 2.0 assign (segid B and resid 71 and name hg2*) (segid B and resid 72 and name hn ) 1.8 0 3.2 !Ala73 assign (segid B and resid 73 and name ha ) (segid B and resid 73 and name hn ) 1.8 0 3.2 assign (segid B and resid 73 and name hb* ) (segid B and resid 73 and name hn ) 1.8 0 2.5 assign (segid B and resid 73 and name hb* ) (segid B and resid 73 and name ha ) 1.8 0 2.0 assign (segid B and resid 72 and name ha ) (segid B and resid 73 and name hn ) 1.8 0 1.0 assign (segid B and resid 71 and name hg1*) (segid B and resid 73 and name hb* ) 1.8 0 3.5 !Val74 assign (segid B and resid 74 and name ha ) (segid B and resid 74 and name hn ) 1.8 0 1.5 assign (segid B and resid 74 and name hb ) (segid B and resid 74 and name hn ) 1.8 0 3.2 assign (segid B and resid 74 and name hg1*) (segid B and resid 74 and name hn ) 1.8 0 4.2 assign (segid B and resid 74 and name hg2*) (segid B and resid 74 and name hn ) 1.8 0 2.0 assign (segid B and resid 74 and name hb ) (segid B and resid 74 and name ha ) 1.8 0 1.5 assign (segid B and resid 74 and name hg1*) (segid B and resid 74 and name ha ) 1.8 0 2.5 assign (segid B and resid 74 and name hg2*) (segid B and resid 74 and name ha ) 1.8 0 4.2 assign (segid B and resid 73 and name ha ) (segid B and resid 74 and name hn ) 1.8 0 1.0 assign (segid B and resid 73 and name hb* ) (segid B and resid 74 and name hn ) 1.8 0 2.5 !Ala75 assign (segid B and resid 75 and name ha ) (segid B and resid 75 and name hn ) 1.8 0 1.5 assign (segid B and resid 75 and name hb* ) (segid B and resid 75 and name hn ) 1.8 0 2.0 assign (segid B and resid 75 and name hb* ) (segid B and resid 75 and name ha ) 1.8 0 2.0 assign (segid B and resid 74 and name hb ) (segid B and resid 75 and name hn ) 1.8 0 1.5 assign (segid B and resid 74 and name hg1*) (segid B and resid 75 and name hn ) 1.8 0 2.5 assign (segid B and resid 74 and name hg2*) (segid B and resid 75 and name hn ) 1.8 0 4.2 assign (segid B and resid 74 and name ha ) (segid B and resid 75 and name hn ) 1.8 0 1.0 assign (segid B and resid 74 and name hn ) (segid B and resid 75 and name hn ) 1.8 0 3.2 assign (segid B and resid 74 and name hg1*) (segid B and resid 75 and name hb* ) 1.8 0 4.0 !.......................TURN (N76-E77)....................................... !Asn76 (system is crowded in data) assign (segid B and resid 75 and name ha ) (segid B and resid 76 and name hn ) 1.8 0 3.2 assign (segid B and resid 75 and name hb* ) (segid B and resid 76 and name hn ) 1.8 0 3.2 assign (segid B and resid 75 and name hn ) (segid B and resid 76 and name hn ) 1.8 0 3.2 !Glu77 assign (segid B and resid 77 and name ha ) (segid B and resid 77 and name hn ) 1.8 0 3.2 assign (segid B and resid 77 and name hb2 ) (segid B and resid 77 and name hn ) 1.8 0 3.2 assign (segid B and resid 77 and name hb1 ) (segid B and resid 77 and name hn ) 1.8 0 1.5 assign (segid B and resid 77 and name hg1 ) (segid B and resid 77 and name ha ) 1.8 0 1.5 assign (segid B and resid 77 and name hg2 ) (segid B and resid 77 and name ha ) 1.8 0 1.5 assign (segid B and resid 77 and name hb2 ) (segid B and resid 77 and name ha ) 1.8 0 3.2 assign (segid B and resid 77 and name hb1 ) (segid B and resid 77 and name ha ) 1.8 0 3.2 assign (segid B and resid 76 and name hn ) (segid B and resid 77 and name hn ) 1.8 0 1.5 !........................STRAND 5 (E77-Q89)................................... !Ala78 assign (segid B and resid 78 and name ha ) (segid B and resid 78 and name hn ) 1.8 0 3.2 assign (segid B and resid 78 and name hb* ) (segid B and resid 78 and name hn ) 1.8 0 2.5 assign (segid B and resid 78 and name hb* ) (segid B and resid 78 and name ha ) 1.8 0 2.0 assign (segid B and resid 77 and name ha ) (segid B and resid 78 and name hn ) 1.8 0 1.0 assign (segid B and resid 77 and name hg2 ) (segid B and resid 78 and name hn ) 1.8 0 1.5 assign (segid B and resid 77 and name hg1 ) (segid B and resid 78 and name hn ) 1.8 0 3.2 assign (segid B and resid 77 and name hb2 ) (segid B and resid 78 and name hn ) 1.8 0 1.5 !Ala79 assign (segid B and resid 79 and name ha ) (segid B and resid 79 and name hn ) 1.8 0 3.2 assign (segid B and resid 79 and name hb* ) (segid B and resid 79 and name hn ) 1.8 0 2.5 assign (segid B and resid 79 and name hb* ) (segid B and resid 79 and name ha ) 1.8 0 2.0 assign (segid B and resid 78 and name ha ) (segid B and resid 79 and name hn ) 1.8 0 1.0 assign (segid B and resid 78 and name hb* ) (segid B and resid 79 and name hn ) 1.8 0 2.0 !Phe80 assign (segid B and resid 80 and name ha ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 80 and name hb1 ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 80 and name hb2 ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 80 and name hd* ) (segid B and resid 80 and name hn ) 1.8 0 3.9 assign (segid B and resid 80 and name he* ) (segid B and resid 80 and name hn ) 1.8 0 5.6 assign (segid B and resid 80 and name hb1 ) (segid B and resid 80 and name ha ) 1.8 0 1.0 assign (segid B and resid 80 and name hb2 ) (segid B and resid 80 and name ha ) 1.8 0 1.0 assign (segid B and resid 80 and name hd* ) (segid B and resid 80 and name hb1 ) 1.8 0 3.9 assign (segid B and resid 80 and name hd* ) (segid B and resid 80 and name hb2 ) 1.8 0 3.9 assign (segid B and resid 79 and name ha ) (segid B and resid 80 and name hn ) 1.8 0 1.0 assign (segid B and resid 79 and name hb* ) (segid B and resid 80 and name hn ) 1.8 0 2.0 !Ala81 assign (segid B and resid 81 and name hb* ) (segid B and resid 81 and name hn ) 1.8 0 2.0 assign (segid B and resid 81 and name hb* ) (segid B and resid 81 and name ha ) 1.8 0 2.0 assign (segid B and resid 80 and name ha ) (segid B and resid 81 and name hn ) 1.8 0 1.0 assign (segid B and resid 80 and name hb1 ) (segid B and resid 81 and name hn ) 1.8 0 2.0 assign (segid B and resid 80 and name hd* ) (segid B and resid 81 and name hn ) 1.8 0 5.6 !Phe82 assign (segid B and resid 82 and name ha ) (segid B and resid 82 and name hn ) 1.8 0 3.2 assign (segid B and resid 82 and name hb1 ) (segid B and resid 82 and name hn ) 1.8 0 3.2 assign (segid B and resid 82 and name hb2 ) (segid B and resid 82 and name hn ) 1.8 0 3.2 assign (segid B and resid 82 and name hd* ) (segid B and resid 82 and name hn ) 1.8 0 3.6 assign (segid B and resid 82 and name he* ) (segid B and resid 82 and name hn ) 1.8 0 5.3 assign (segid B and resid 82 and name hb1 ) (segid B and resid 82 and name ha ) 1.8 0 1.0 assign (segid B and resid 82 and name hb2 ) (segid B and resid 82 and name ha ) 1.8 0 1.0 assign (segid B and resid 82 and name hd* ) (segid B and resid 82 and name hn ) 1.8 0 3.9 assign (segid B and resid 82 and name hd* ) (segid B and resid 82 and name hn ) 1.8 0 3.9 assign (segid B and resid 81 and name ha ) (segid B and resid 82 and name hn ) 1.8 0 1.0 assign (segid B and resid 81 and name hb* ) (segid B and resid 82 and name hn ) 1.8 0 2.0 assign (segid B and resid 81 and name ha ) (segid B and resid 82 and name hd* ) 1.8 0 5.3 assign (segid B and resid 80 and name he* ) (segid B and resid 82 and name he* ) 1.8 0 7.4 assign (segid B and resid 80 and name hz ) (segid B and resid 55 and name he* ) 1.8 0 3.6 !Thr83 assign (segid B and resid 83 and name ha ) (segid B and resid 83 and name hn ) 1.8 0 3.2 assign (segid B and resid 83 and name hb ) (segid B and resid 83 and name hn ) 1.8 0 3.2 assign (segid B and resid 83 and name hg2*) (segid B and resid 83 and name hn ) 1.8 0 2.5 assign (segid B and resid 83 and name hg2*) (segid B and resid 83 and name ha ) 1.8 0 2.0 assign (segid B and resid 83 and name hb ) (segid B and resid 83 and name ha ) 1.8 0 3.2 assign (segid B and resid 82 and name ha ) (segid B and resid 83 and name hn ) 1.8 0 1.0 assign (segid B and resid 82 and name hb1 ) (segid B and resid 83 and name hn ) 1.8 0 1.5 assign (segid B and resid 82 and name hb2 ) (segid B and resid 83 and name hn ) 1.8 0 2.0 !Val84 assign (segid B and resid 84 and name ha ) (segid B and resid 84 and name hn ) 1.8 0 3.2 assign (segid B and resid 84 and name hb ) (segid B and resid 84 and name hn ) 1.8 0 1.5 assign (segid B and resid 84 and name hg2*) (segid B and resid 84 and name hn ) 1.8 0 2.5 assign (segid B and resid 84 and name hg1*) (segid B and resid 84 and name hn ) 1.8 0 4.2 assign (segid B and resid 84 and name hb ) (segid B and resid 84 and name ha ) 1.8 0 3.2 assign (segid B and resid 84 and name hg1*) (segid B and resid 84 and name ha ) 1.8 0 2.0 assign (segid B and resid 84 and name hg2*) (segid B and resid 84 and name ha ) 1.8 0 2.0 assign (segid B and resid 83 and name ha ) (segid B and resid 84 and name hn ) 1.8 0 1.0 assign (segid B and resid 83 and name hb ) (segid B and resid 84 and name hn ) 1.8 0 1.5 assign (segid B and resid 83 and name hg2*) (segid B and resid 84 and name hn ) 1.8 0 2.0 !Ser85 assign (segid B and resid 85 and name ha ) (segid B and resid 85 and name hn ) 1.8 0 3.2 assign (segid B and resid 85 and name hb* ) (segid B and resid 85 and name hn ) 1.8 0 2.5 assign (segid B and resid 85 and name hb1 ) (segid B and resid 85 and name ha ) 1.8 0 1.0 assign (segid B and resid 85 and name hb2 ) (segid B and resid 85 and name ha ) 1.8 0 1.0 assign (segid B and resid 84 and name ha ) (segid B and resid 85 and name hn ) 1.8 0 1.0 assign (segid B and resid 84 and name hb ) (segid B and resid 85 and name hn ) 1.8 0 3.2 assign (segid B and resid 84 and name hg1*) (segid B and resid 85 and name hn ) 1.8 0 2.0 assign (segid B and resid 84 and name hg2*) (segid B and resid 85 and name hn ) 1.8 0 4.2 !Phe86 assign (segid B and resid 86 and name ha ) (segid B and resid 86 and name hn ) 1.8 0 1.5 assign (segid B and resid 86 and name hb1 ) (segid B and resid 86 and name hn ) 1.8 0 3.2 assign (segid B and resid 86 and name hb2 ) (segid B and resid 86 and name hn ) 1.8 0 3.2 assign (segid B and resid 86 and name hd* ) (segid B and resid 86 and name hn ) 1.8 0 5.6 assign (segid B and resid 86 and name hb1 ) (segid B and resid 86 and name ha ) 1.8 0 1.0 assign (segid B and resid 86 and name hb2 ) (segid B and resid 86 and name ha ) 1.8 0 1.0 assign (segid B and resid 85 and name ha ) (segid B and resid 86 and name hn ) 1.8 0 1.0 assign (segid B and resid 85 and name hb* ) (segid B and resid 86 and name hn ) 1.8 0 3.2 assign (segid B and resid 85 and name hn ) (segid B and resid 86 and name hd* ) 1.8 0 5.3 assign (segid B and resid 85 and name ha ) (segid B and resid 86 and name hd* ) 1.8 0 5.3 assign (segid B and resid 85 and name ha ) (segid B and resid 86 and name he* ) 1.8 0 5.3 assign (segid B and resid 84 and name hg1*) (segid B and resid 86 and name hd* ) 1.8 0 4.1 !Glu87 assign (segid B and resid 87 and name hb* ) (segid B and resid 87 and name hn ) 1.8 0 4.2 assign (segid B and resid 87 and name hg* ) (segid B and resid 87 and name hn ) 1.8 0 4.2 assign (segid B and resid 87 and name hb* ) (segid B and resid 87 and name ha ) 1.8 0 2.0 assign (segid B and resid 87 and name hg* ) (segid B and resid 87 and name ha ) 1.8 0 2.0 assign (segid B and resid 86 and name ha ) (segid B and resid 87 and name hn ) 1.8 0 1.0 assign (segid B and resid 86 and name hb1 ) (segid B and resid 87 and name hn ) 1.8 0 2.0 assign (segid B and resid 86 and name hd* ) (segid B and resid 87 and name hn ) 1.8 0 5.5 assign (segid B and resid 86 and name hd* ) (segid B and resid 87 and name ha ) 1.8 0 5.6 !Phe88 assign (segid B and resid 88 and name ha ) (segid B and resid 88 and name hn ) 1.8 0 3.2 assign (segid B and resid 88 and name hb2 ) (segid B and resid 88 and name hn ) 1.8 0 3.2 assign (segid B and resid 88 and name hb1 ) (segid B and resid 88 and name ha ) 1.8 0 1.0 assign (segid B and resid 88 and name hb2 ) (segid B and resid 88 and name ha ) 1.8 0 1.0 assign (segid B and resid 88 and name hd* ) (segid B and resid 88 and name hn ) 1.8 0 5.6 assign (segid B and resid 87 and name ha ) (segid B and resid 88 and name hn ) 1.8 0 1.0 assign (segid B and resid 87 and name hg* ) (segid B and resid 88 and name hn ) 1.8 0 2.0 assign (segid B and resid 87 and name hb* ) (segid B and resid 88 and name hn ) 1.8 0 2.0 assign (segid B and resid 88 and name hd* ) (segid B and resid 88 and name hb1 ) 1.8 0 3.1 assign (segid B and resid 88 and name hd* ) (segid B and resid 88 and name hb2 ) 1.8 0 3.1 assign (segid B and resid 88 and name hd* ) (segid B and resid 88 and name ha ) 1.8 0 3.6 !Gln89 assign (segid B and resid 89 and name ha ) (segid B and resid 89 and name hn ) 1.8 0 1.5 assign (segid B and resid 89 and name hb1 ) (segid B and resid 89 and name hn ) 1.8 0 1.5 assign (segid B and resid 89 and name hg2 ) (segid B and resid 89 and name hn ) 1.8 0 3.2 assign (segid B and resid 89 and name hb2 ) (segid B and resid 89 and name ha ) 1.8 0 1.0 assign (segid B and resid 89 and name hb1 ) (segid B and resid 89 and name ha ) 1.8 0 3.2 assign (segid B and resid 89 and name hg2 ) (segid B and resid 89 and name ha ) 1.8 0 1.5 assign (segid B and resid 89 and name hg1 ) (segid B and resid 89 and name ha ) 1.8 0 3.2 assign (segid B and resid 88 and name ha ) (segid B and resid 89 and name hn ) 1.8 0 1.5 assign (segid B and resid 88 and name hd* ) (segid B and resid 89 and name hg1 ) 1.8 0 5.3 assign (segid B and resid 88 and name hd* ) (segid B and resid 89 and name hg2 ) 1.8 0 5.3 !Gly90 assign (segid B and resid 90 and name ha1 ) (segid B and resid 90 and name hn ) 1.8 0 1.5 assign (segid B and resid 90 and name ha2 ) (segid B and resid 90 and name hn ) 1.8 0 1.5 assign (segid B and resid 89 and name hn ) (segid B and resid 90 and name hn ) 1.8 0 3.2 assign (segid B and resid 89 and name hb1 ) (segid B and resid 90 and name hn ) 1.8 0 3.2 assign (segid B and resid 89 and name ha ) (segid B and resid 90 and name hn ) 1.8 0 3.2 assign (segid B and resid 87 and name hg* ) (segid B and resid 90 and name hn ) 1.8 0 4.2 !Arg91 assign (segid B and resid 91 and name ha ) (segid B and resid 91 and name hn ) 1.8 0 3.2 assign (segid B and resid 91 and name hd* ) (segid B and resid 91 and name hn ) 1.8 0 3.2 assign (segid B and resid 91 and name hg* ) (segid B and resid 91 and name hn ) 1.8 0 3.2 assign (segid B and resid 91 and name hb* ) (segid B and resid 91 and name hn ) 1.8 0 2.5 assign (segid B and resid 91 and name hb* ) (segid B and resid 91 and name ha ) 1.8 0 2.5 assign (segid B and resid 91 and name hg1 ) (segid B and resid 91 and name ha ) 1.8 0 1.0 assign (segid B and resid 91 and name hg2 ) (segid B and resid 91 and name ha ) 1.8 0 1.0 assign (segid B and resid 90 and name hn ) (segid B and resid 91 and name hn ) 1.8 0 1.0 assign (segid B and resid 90 and name ha1 ) (segid B and resid 91 and name hn ) 1.8 0 1.5 assign (segid B and resid 90 and name ha2 ) (segid B and resid 91 and name hn ) 1.8 0 3.2 assign (segid B and resid 89 and name hg1 ) (segid B and resid 91 and name hn ) 1.8 0 3.2 !Lys92 assign (segid B and resid 92 and name ha ) (segid B and resid 92 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hd1 ) (segid B and resid 92 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hd2 ) (segid B and resid 92 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hb* ) (segid B and resid 92 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hb1 ) (segid B and resid 92 and name ha ) 1.8 0 1.5 assign (segid B and resid 92 and name hb2 ) (segid B and resid 92 and name ha ) 1.8 0 1.5 assign (segid B and resid 92 and name hg* ) (segid B and resid 92 and name ha ) 1.8 0 3.2 assign (segid B and resid 91 and name ha ) (segid B and resid 92 and name hn ) 1.8 0 1.0 assign (segid B and resid 91 and name hb* ) (segid B and resid 92 and name hn ) 1.8 0 4.2 assign (segid B and resid 91 and name hg* ) (segid B and resid 92 and name hn ) 1.8 0 2.0 assign (segid B and resid 91 and name hn ) (segid B and resid 92 and name hn ) 1.8 0 3.2 !Thr93 assign (segid B and resid 93 and name ha ) (segid B and resid 93 and name hn ) 1.8 0 3.2 assign (segid B and resid 93 and name hb ) (segid B and resid 93 and name hn ) 1.8 0 1.5 assign (segid B and resid 93 and name hg2*) (segid B and resid 93 and name hn ) 1.8 0 2.5 assign (segid B and resid 93 and name hb ) (segid B and resid 93 and name ha ) 1.8 0 3.2 assign (segid B and resid 93 and name hg2*) (segid B and resid 93 and name ha ) 1.8 0 2.0 assign (segid B and resid 92 and name ha ) (segid B and resid 93 and name hn ) 1.8 0 1.0 assign (segid B and resid 92 and name hb* ) (segid B and resid 93 and name hn ) 1.8 0 2.0 assign (segid B and resid 92 and name hd1 ) (segid B and resid 93 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hd2 ) (segid B and resid 93 and name hn ) 1.8 0 3.2 !Val94 assign (segid B and resid 94 and name ha ) (segid B and resid 94 and name hn ) 1.8 0 3.2 assign (segid B and resid 94 and name hb ) (segid B and resid 94 and name hn ) 1.8 0 1.5 assign (segid B and resid 94 and name hg1*) (segid B and resid 94 and name hn ) 1.8 0 2.0 assign (segid B and resid 94 and name hb ) (segid B and resid 94 and name ha ) 1.8 0 3.2 assign (segid B and resid 94 and name hg2*) (segid B and resid 94 and name ha ) 1.8 0 2.0 assign (segid B and resid 85 and name hb* ) (segid B and resid 94 and name hg2*) 1.8 0 2.5 assign (segid B and resid 85 and name ha ) (segid B and resid 94 and name hg2*) 1.8 0 4.2 assign (segid B and resid 93 and name ha ) (segid B and resid 94 and name hn ) 1.8 0 1.0 assign (segid B and resid 93 and name hb ) (segid B and resid 94 and name hn ) 1.8 0 1.5 assign (segid B and resid 93 and name hg2*) (segid B and resid 94 and name hn ) 1.8 0 2.0 !Val95 assign (segid B and resid 95 and name ha ) (segid B and resid 95 and name hn ) 1.8 0 3.2 assign (segid B and resid 95 and name hb ) (segid B and resid 95 and name hn ) 1.8 0 1.0 assign (segid B and resid 95 and name hg1*) (segid B and resid 95 and name hn ) 1.8 0 4.2 assign (segid B and resid 95 and name hg2*) (segid B and resid 95 and name ha ) 1.8 0 2.0 assign (segid B and resid 95 and name hg1*) (segid B and resid 95 and name ha ) 1.8 0 2.0 assign (segid B and resid 95 and name hb ) (segid B and resid 95 and name ha ) 1.8 0 3.2 assign (segid B and resid 94 and name ha ) (segid B and resid 95 and name hn ) 1.8 0 1.0 assign (segid B and resid 94 and name hg1*) (segid B and resid 95 and name hn ) 1.8 0 2.5 assign (segid B and resid 94 and name hg2*) (segid B and resid 95 and name hn ) 1.8 0 2.5 !Ala96 assign (segid B and resid 96 and name ha ) (segid B and resid 96 and name hn ) 1.8 0 3.2 assign (segid B and resid 96 and name hb* ) (segid B and resid 96 and name hn ) 1.8 0 2.5 assign (segid B and resid 96 and name hb* ) (segid B and resid 96 and name ha ) 1.8 0 2.0 assign (segid B and resid 95 and name ha ) (segid B and resid 96 and name hn ) 1.8 0 1.0 assign (segid B and resid 95 and name hg1*) (segid B and resid 96 and name hn ) 1.8 0 2.5 assign (segid B and resid 95 and name hg2*) (segid B and resid 96 and name hn ) 1.8 0 2.5 assign (segid B and resid 95 and name hg1*) (segid B and resid 96 and name ha ) 1.8 0 4.2 !Pro97 assign (segid B and resid 97 and name hb1 ) (segid B and resid 97 and name ha ) 1.8 0 1.0 assign (segid B and resid 97 and name hb2 ) (segid B and resid 97 and name ha ) 1.8 0 1.0 assign (segid B and resid 97 and name hd1 ) (segid B and resid 97 and name ha ) 1.8 0 3.2 assign (segid B and resid 96 and name ha ) (segid B and resid 97 and name hd2 ) 1.8 0 1.5 !Ile98 assign (segid B and resid 98 and name ha ) (segid B and resid 98 and name hn ) 1.8 0 3.2 assign (segid B and resid 98 and name hb ) (segid B and resid 98 and name hn ) 1.8 0 1.0 assign (segid B and resid 98 and name hd* ) (segid B and resid 98 and name hn ) 1.8 0 2.0 assign (segid B and resid 98 and name hg11) (segid B and resid 98 and name hn ) 1.8 0 3.2 assign (segid B and resid 98 and name hg12) (segid B and resid 98 and name hn ) 1.8 0 3.2 assign (segid B and resid 98 and name hb ) (segid B and resid 98 and name ha ) 1.8 0 3.2 assign (segid B and resid 98 and name hg11) (segid B and resid 98 and name ha ) 1.8 0 3.2 assign (segid B and resid 98 and name hg12) (segid B and resid 98 and name ha ) 1.8 0 3.2 assign (segid B and resid 98 and name hd* ) (segid B and resid 98 and name ha ) 1.8 0 2.5 assign (segid B and resid 98 and name hg2*) (segid B and resid 98 and name ha ) 1.8 0 2.0 assign (segid B and resid 97 and name ha ) (segid B and resid 98 and name hn ) 1.8 0 1.0 assign (segid B and resid 97 and name hb1 ) (segid B and resid 98 and name hn ) 1.8 0 1.5 assign (segid B and resid 97 and name hb2 ) (segid B and resid 98 and name hn ) 1.8 0 1.0 assign (segid B and resid 97 and name ha ) (segid B and resid 98 and name hd* ) 1.8 0 4.2 !Asp99 assign (segid B and resid 99 and name ha ) (segid B and resid 99 and name hn ) 1.8 0 3.2 assign (segid B and resid 99 and name hb1 ) (segid B and resid 99 and name hn ) 1.8 0 1.0 assign (segid B and resid 99 and name hb2 ) (segid B and resid 99 and name hn ) 1.8 0 1.5 assign (segid B and resid 99 and name hb1 ) (segid B and resid 99 and name ha ) 2.3 0 0.4 assign (segid B and resid 99 and name hb2 ) (segid B and resid 99 and name ha ) 2.3 0 0.4 assign (segid B and resid 98 and name ha ) (segid B and resid 99 and name hn ) 1.8 0 1.0 assign (segid B and resid 98 and name hg2*) (segid B and resid 99 and name hn ) 1.8 0 2.0 assign (segid B and resid 98 and name hg11) (segid B and resid 99 and name hn ) 1.8 0 3.2 assign (segid B and resid 98 and name hg12) (segid B and resid 99 and name hn ) 1.8 0 3.2 assign (segid B and resid 98 and name hg2*) (segid B and resid 99 and name ha ) 1.8 0 4.2 !His100 assign (segid B and resid 100 and name ha ) (segid B and resid 100 and name hn ) 1.8 0 3.2 assign (segid B and resid 100 and name hb1) (segid B and resid 100 and name hn ) 1.8 0 1.5 assign (segid B and resid 100 and name hb2) (segid B and resid 100 and name hn ) 1.8 0 1.5 assign (segid B and resid 100 and name hb1) (segid B and resid 100 and name ha ) 1.8 0 3.2 assign (segid B and resid 100 and name hb2) (segid B and resid 100 and name ha ) 1.8 0 3.2 assign (segid B and resid 99 and name ha ) (segid B and resid 100 and name hn ) 1.8 0 1.0 assign (segid B and resid 99 and name hb2 ) (segid B and resid 100 and name hn ) 2.5 0 1.5 !Phe101 assign (segid B and resid 101 and name ha ) (segid B and resid 101 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hb1) (segid B and resid 101 and name hn ) 1.8 0 1.5 assign (segid B and resid 101 and name hb2) (segid B and resid 101 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hd*) (segid B and resid 101 and name hn ) 1.8 0 3.7 assign (segid B and resid 101 and name hb1) (segid B and resid 101 and name ha ) 1.8 0 3.2 assign (segid B and resid 101 and name hb2) (segid B and resid 101 and name ha ) 1.8 0 1.0 assign (segid B and resid 101 and name hd*) (segid B and resid 101 and name ha ) 1.8 0 3.2 assign (segid B and resid 100 and name ha ) (segid B and resid 101 and name hd* ) 1.8 0 3.5 assign (segid B and resid 100 and name ha ) (segid B and resid 101 and name hn ) 1.8 0 1.0 assign (segid B and resid 100 and name hb1) (segid B and resid 101 and name hn ) 1.8 0 3.2 assign (segid B and resid 100 and name hb2) (segid B and resid 101 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hd*) (segid B and resid 101 and name hn ) 1.8 0 3.1 !Arg102 assign (segid B and resid 102 and name ha ) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 102 and name hb1) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 102 and name hb2) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 102 and name hb1) (segid B and resid 102 and name ha ) 1.8 0 3.2 assign (segid B and resid 102 and name hb2) (segid B and resid 102 and name ha ) 1.8 0 3.2 assign (segid B and resid 102 and name hg1) (segid B and resid 102 and name ha ) 1.8 0 1.5 assign (segid B and resid 102 and name hg2) (segid B and resid 102 and name ha ) 1.8 0 1.5 assign (segid B and resid 101 and name ha ) (segid B and resid 102 and name hn ) 1.8 0 1.0 assign (segid B and resid 101 and name hb1) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hb2) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hd*) (segid B and resid 102 and name hn ) 1.8 0 5.6 !Phe103 assign (segid B and resid 103 and name ha ) (segid B and resid 103 and name hn ) 1.8 0 3.2 assign (segid B and resid 103 and name hb2) (segid B and resid 103 and name hn ) 1.8 0 1.0 assign (segid B and resid 103 and name hb1) (segid B and resid 103 and name hn ) 1.8 0 3.2 assign (segid B and resid 103 and name hb1) (segid B and resid 103 and name ha ) 1.8 0 1.0 assign (segid B and resid 103 and name hb2) (segid B and resid 103 and name ha ) 1.8 0 3.2 assign (segid B and resid 103 and name hd*) (segid B and resid 103 and name hn ) 1.8 0 5.3 assign (segid B and resid 103 and name hd*) (segid B and resid 103 and name ha ) 1.8 0 5.3 assign (segid B and resid 102 and name ha ) (segid B and resid 103 and name hn ) 1.8 0 1.0 assign (segid B and resid 102 and name hb1) (segid B and resid 103 and name hn ) 1.8 0 3.2 assign (segid B and resid 102 and name hb2) (segid B and resid 103 and name hn ) 1.8 0 3.2 assign (segid B and resid 102 and name hg*) (segid B and resid 103 and name hn ) 1.8 0 4.2 !Asn104 assign (segid B and resid 104 and name ha ) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 104 and name hb1) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 104 and name hb2) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 104 and name hd21) (segid B and resid 104 and name hn ) 1.8 0 1.5 assign (segid B and resid 104 and name hd22) (segid B and resid 104 and name hn ) 1.8 0 1.5 assign (segid B and resid 104 and name hb1) (segid B and resid 104 and name ha ) 1.8 0 1.0 assign (segid B and resid 104 and name hb2) (segid B and resid 104 and name ha ) 1.8 0 1.0 assign (segid B and resid 103 and name ha ) (segid B and resid 104 and name hn ) 1.8 0 1.0 assign (segid B and resid 103 and name hb1) (segid B and resid 104 and name hn ) 1.8 0 1.5 assign (segid B and resid 103 and name hb2) (segid B and resid 104 and name hn ) 1.8 0 3.2 !Gly105 (NH not observed, loop segid B and residue) assign (segid B and resid 106 and name hb*) (segid B and resid 105 and name ha* ) 1.8 0 4.7 !Ala106 assign (segid B and resid 106 and name ha ) (segid B and resid 106 and name hn ) 1.8 0 1.0 assign (segid B and resid 106 and name hb*) (segid B and resid 106 and name hn ) 1.8 0 2.0 assign (segid B and resid 106 and name hb*) (segid B and resid 106 and name ha ) 1.8 0 2.0 assign (segid B and resid 105 and name ha*) (segid B and resid 106 and name hn ) 1.8 0 3.7 !Gly107 assign (segid B and resid 107 and name ha1) (segid B and resid 107 and name hn ) 1.8 0 2.0 assign (segid B and resid 107 and name ha2) (segid B and resid 107 and name hn ) 1.8 0 1.5 assign (segid B and resid 106 and name hn ) (segid B and resid 107 and name hn ) 1.8 0 1.0 assign (segid B and resid 106 and name ha ) (segid B and resid 107 and name hn ) 1.8 0 1.5 assign (segid B and resid 106 and name hb*) (segid B and resid 107 and name hn ) 1.8 0 2.5 !Lys108 assign (segid B and resid 108 and name ha ) (segid B and resid 108 and name hn ) 1.8 0 1.5 assign (segid B and resid 108 and name hb*) (segid B and resid 108 and name hn ) 1.8 0 3.7 assign (segid B and resid 108 and name hg1) (segid B and resid 108 and name hn ) 1.8 0 3.2 assign (segid B and resid 108 and name hg2) (segid B and resid 108 and name hn ) 1.8 0 3.2 assign (segid B and resid 108 and name hb*) (segid B and resid 108 and name ha ) 1.8 0 3.7 assign (segid B and resid 108 and name hg1) (segid B and resid 108 and name hn ) 1.8 0 3.2 assign (segid B and resid 108 and name hg2) (segid B and resid 108 and name hn ) 1.8 0 1.5 assign (segid B and resid 107 and name hn ) (segid B and resid 108 and name hn ) 1.8 0 1.0 assign (segid B and resid 107 and name ha1) (segid B and resid 108 and name hn ) 1.8 0 1.5 assign (segid B and resid 106 and name hn ) (segid B and resid 108 and name hn ) 1.8 0 3.2 assign (segid B and resid 106 and name ha ) (segid B and resid 108 and name hn ) 1.8 0 3.2 !Val109 assign (segid B and resid 109 and name ha ) (segid B and resid 109 and name hn ) 1.8 0 3.2 assign (segid B and resid 109 and name hb ) (segid B and resid 109 and name hn ) 1.8 0 1.0 assign (segid B and resid 109 and name hg1*) (segid B and resid 109 and name hn ) 1.8 0 4.2 assign (segid B and resid 109 and name hg2*) (segid B and resid 109 and name hn ) 1.8 0 2.5 assign (segid B and resid 109 and name hb ) (segid B and resid 109 and name ha ) 1.8 0 3.2 assign (segid B and resid 109 and name hg1*) (segid B and resid 109 and name ha ) 1.8 0 2.0 assign (segid B and resid 109 and name hg2*) (segid B and resid 109 and name ha ) 1.8 0 2.0 assign (segid B and resid 108 and name ha ) (segid B and resid 109 and name hn ) 1.8 0 1.0 assign (segid B and resid 108 and name hn ) (segid B and resid 109 and name hn ) 1.8 0 3.2 assign (segid B and resid 108 and name ha ) (segid B and resid 109 and name hg2*) 1.8 0 4.2 assign (segid B and resid 108 and name ha ) (segid B and resid 109 and name hb ) 1.8 0 3.2 !Val110 assign (segid B and resid 110 and name ha ) (segid B and resid 110 and name hn ) 1.8 0 3.2 assign (segid B and resid 110 and name hb ) (segid B and resid 110 and name hn ) 1.8 0 3.2 assign (segid B and resid 110 and name hg2*) (segid B and resid 110 and name hn ) 1.8 0 2.5 assign (segid B and resid 110 and name hb ) (segid B and resid 110 and name ha ) 1.8 0 3.2 assign (segid B and resid 110 and name hg1*) (segid B and resid 110 and name ha ) 1.8 0 2.0 assign (segid B and resid 110 and name hg2*) (segid B and resid 110 and name ha ) 1.8 0 2.0 assign (segid B and resid 109 and name ha ) (segid B and resid 110 and name hn ) 1.8 0 1.0 assign (segid B and resid 111 and name hn ) (segid B and resid 110 and name hn ) 1.8 0 1.0 !.....................................STRAND 8 (Lys119-His122).................... !Bulge (Gly117-N120), Gly117 is part of strand 7. !Gly117 assign (segid B and resid 117 and name ha2) (segid B and resid 117 and name hn ) 1.8 0 1.5 assign (segid B and resid 117 and name ha1) (segid B and resid 117 and name hn ) 1.8 0 1.0 assign (segid B and resid 116 and name hn ) (segid B and resid 117 and name hn ) 1.8 0 3.2 assign (segid B and resid 116 and name ha ) (segid B and resid 117 and name hn ) 1.8 0 1.0 assign (segid B and resid 116 and name hb1) (segid B and resid 117 and name hn ) 1.8 0 1.5 assign (segid B and resid 116 and name hd*) (segid B and resid 117 and name hn ) 1.8 0 5.3 assign (segid B and resid 116 and name he*) (segid B and resid 117 and name hn ) 1.8 0 5.3 !Glu118 assign (segid B and resid 118 and name ha ) (segid B and resid 118 and name hn ) 1.8 0 3.2 assign (segid B and resid 118 and name hb1) (segid B and resid 118 and name hn ) 1.8 0 1.0 assign (segid B and resid 118 and name hb2) (segid B and resid 118 and name hn ) 1.8 0 1.0 assign (segid B and resid 118 and name hg1) (segid B and resid 118 and name hn ) 1.8 0 3.2 assign (segid B and resid 118 and name hg2) (segid B and resid 118 and name hn ) 1.8 0 3.2 assign (segid B and resid 118 and name hb1) (segid B and resid 118 and name ha ) 1.8 0 3.2 assign (segid B and resid 118 and name hb2) (segid B and resid 118 and name ha ) 1.8 0 3.2 assign (segid B and resid 118 and name hg1) (segid B and resid 118 and name ha ) 1.8 0 1.0 assign (segid B and resid 118 and name hg2) (segid B and resid 118 and name ha ) 1.8 0 1.0 assign (segid B and resid 117 and name ha1) (segid B and resid 118 and name hn ) 1.8 0 1.5 assign (segid B and resid 117 and name ha2) (segid B and resid 118 and name hn ) 1.8 0 1.5 assign (segid B and resid 117 and name hn ) (segid B and resid 118 and name hn ) 1.8 0 3.2 !Lys119 assign (segid B and resid 119 and name ha ) (segid B and resid 119 and name hn ) 1.8 0 1.5 assign (segid B and resid 119 and name hb2) (segid B and resid 119 and name hn ) 1.8 0 3.2 assign (segid B and resid 119 and name hb1) (segid B and resid 119 and name hn ) 1.8 0 1.0 assign (segid B and resid 119 and name hg*) (segid B and resid 119 and name hn ) 1.8 0 3.7 assign (segid B and resid 119 and name hb1) (segid B and resid 119 and name ha ) 1.8 0 3.2 assign (segid B and resid 119 and name hb2) (segid B and resid 119 and name ha ) 1.8 0 1.5 assign (segid B and resid 119 and name hg1) (segid B and resid 119 and name ha ) 1.8 0 1.0 assign (segid B and resid 119 and name hg2) (segid B and resid 119 and name ha ) 1.8 0 1.0 assign (segid B and resid 118 and name ha ) (segid B and resid 119 and name hn ) 1.8 0 1.5 assign (segid B and resid 118 and name hg*) (segid B and resid 119 and name hn ) 1.8 0 3.7 assign (segid B and resid 118 and name hn ) (segid B and resid 119 and name hn ) 1.8 0 1.5 assign (segid B and resid 117 and name hn ) (segid B and resid 119 and name hn ) 1.8 0 3.2 !Asn120 assign (segid B and resid 120 and name ha ) (segid B and resid 120 and name hn ) 1.8 0 1.5 assign (segid B and resid 120 and name hb1) (segid B and resid 120 and name hn ) 1.8 0 1.5 assign (segid B and resid 120 and name hb2) (segid B and resid 120 and name hn ) 1.8 0 3.2 assign (segid B and resid 120 and name hb2) (segid B and resid 120 and name ha ) 1.8 0 1.5 assign (segid B and resid 120 and name hb2) (segid B and resid 120 and name ha ) 1.8 0 2.0 assign (segid B and resid 119 and name hn ) (segid B and resid 120 and name hn ) 1.8 0 1.0 assign (segid B and resid 119 and name ha ) (segid B and resid 120 and name hn ) 1.8 0 1.5 assign (segid B and resid 119 and name hb1) (segid B and resid 120 and name hn ) 1.8 0 3.2 assign (segid B and resid 119 and name hb2) (segid B and resid 120 and name hn ) 1.8 0 1.5 assign (segid B and resid 118 and name ha ) (segid B and resid 120 and name hn ) 1.8 0 3.2 assign (segid B and resid 117 and name hn ) (segid B and resid 120 and name hb1 ) 1.8 0 1.5 assign (segid B and resid 117 and name hn ) (segid B and resid 120 and name hb2 ) 1.8 0 1.5 !Ile121 assign (segid B and resid 121 and name ha ) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 121 and name hb ) (segid B and resid 121 and name hn ) 1.8 0 1.0 assign (segid B and resid 121 and name hg12) (segid B and resid 121 and name hn ) 1.8 0 1.5 assign (segid B and resid 121 and name hg11) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 121 and name hg2*) (segid B and resid 121 and name hn ) 1.8 0 4.2 assign (segid B and resid 121 and name hd*) (segid B and resid 121 and name hn ) 1.8 0 2.0 assign (segid B and resid 121 and name hb ) (segid B and resid 121 and name ha ) 1.8 0 3.2 assign (segid B and resid 121 and name hg12) (segid B and resid 121 and name ha ) 1.8 0 1.5 assign (segid B and resid 121 and name hg2*) (segid B and resid 121 and name ha ) 1.8 0 2.0 assign (segid B and resid 121 and name hd*) (segid B and resid 121 and name ha ) 1.8 0 4.2 assign (segid B and resid 121 and name hg2*) (segid B and resid 121 and name hb ) 1.8 0 2.0 assign (segid B and resid 121 and name hd*) (segid B and resid 121 and name hb ) 1.8 0 2.0 assign (segid B and resid 118 and name ha ) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 118 and name ha ) (segid B and resid 121 and name hd* ) 1.8 0 2.0 assign (segid B and resid 118 and name hg*) (segid B and resid 121 and name hd* ) 1.8 0 4.7 assign (segid B and resid 119 and name hn ) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 119 and name ha ) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 120 and name ha ) (segid B and resid 121 and name hn ) 1.8 0 3.2 assign (segid B and resid 120 and name hn ) (segid B and resid 121 and name hn ) 1.8 0 1.0 assign (segid B and resid 120 and name hn ) (segid B and resid 121 and name hd* ) 1.8 0 2.5 !........................STRAND 8 (H122-Ala125)............................. !His122 assign (segid B and resid 122 and name ha ) (segid B and resid 122 and name hn ) 1.8 0 1.5 assign (segid B and resid 122 and name hb*) (segid B and resid 122 and name hn ) 1.8 0 2.5 assign (segid B and resid 122 and name hb1) (segid B and resid 122 and name ha ) 1.8 0 1.0 assign (segid B and resid 122 and name hb2) (segid B and resid 122 and name ha ) 1.8 0 1.0 assign (segid B and resid 121 and name hn ) (segid B and resid 122 and name hn ) 1.8 0 3.2 assign (segid B and resid 121 and name ha ) (segid B and resid 122 and name hn ) 1.8 0 1.5 assign (segid B and resid 121 and name hb ) (segid B and resid 122 and name hn ) 1.8 0 2.5 assign (segid B and resid 121 and name hg11) (segid B and resid 122 and name hn ) 1.8 0 3.2 assign (segid B and resid 121 and name hg2*) (segid B and resid 122 and name hn ) 1.8 0 2.0 !Ala123 assign (segid B and resid 123 and name ha ) (segid B and resid 123 and name hn ) 1.8 0 3.2 assign (segid B and resid 123 and name hb*) (segid B and resid 123 and name hn ) 1.8 0 2.5 assign (segid B and resid 123 and name hb*) (segid B and resid 123 and name ha ) 1.8 0 2.0 assign (segid B and resid 122 and name ha ) (segid B and resid 123 and name hn ) 1.8 0 1.0 !Gly124 assign (segid B and resid 124 and name ha1) (segid B and resid 124 and name hn ) 1.8 0 3.2 assign (segid B and resid 124 and name ha2) (segid B and resid 124 and name hn ) 1.8 0 3.2 assign (segid B and resid 123 and name ha ) (segid B and resid 124 and name hn ) 1.8 0 1.0 assign (segid B and resid 123 and name hb*) (segid B and resid 124 and name hn ) 1.8 0 2.5 !Ala125 assign (segid B and resid 125 and name hb*) (segid B and resid 125 and name hn ) 1.8 0 2.5 assign (segid B and resid 125 and name ha ) (segid B and resid 125 and name hn ) 1.8 0 3.2 assign (segid B and resid 125 and name hb*) (segid B and resid 125 and name ha ) 1.8 0 2.0 assign (segid B and resid 124 and name ha1) (segid B and resid 125 and name hn ) 1.8 0 1.5 assign (segid B and resid 124 and name ha2) (segid B and resid 125 and name hn ) 1.8 0 1.5 !...........................LONG RANGE intra-molecular INTERACTION............................... !STRAND 8(Ile121-Ala125) To part of STRAND 6 !Hbonds for Strand 6-8 assign (segid B and resid 121 and name o ) (segid B and resid 96 and name n ) 2.5 0 3.5 assign (segid B and resid 121 and name o ) (segid B and resid 96 and name hn ) 1.5 0 2.5 assign (segid B and resid 122 and name n ) (segid B and resid 94 and name o ) 2.5 0 3.5 assign (segid B and resid 122 and name hn ) (segid B and resid 94 and name o ) 1.5 0 2.5 assign (segid B and resid 122 and name o ) (segid B and resid 94 and name n ) 2.5 0 3.5 assign (segid B and resid 122 and name o ) (segid B and resid 94 and name hn ) 1.5 0 2.5 assign (segid B and resid 124 and name n ) (segid B and resid 92 and name o ) 2.5 0 3.5 assign (segid B and resid 124 and name hn ) (segid B and resid 92 and name o ) 1.5 0 2.5 assign (segid B and resid 124 and name o ) (segid B and resid 92 and name n ) 2.5 0 3.5 assign (segid B and resid 124 and name o ) (segid B and resid 92 and name hn ) 1.5 0 2.5 !Long Range Noes for Strand 6-8 assign (segid B and resid 96 and name hn ) (segid B and resid 120 and name hb1 ) 1.8 0 3.2 assign (segid B and resid 96 and name hn ) (segid B and resid 120 and name hb2 ) 1.8 0 3.2 assign (segid B and resid 96 and name hb* ) (segid B and resid 120 and name hb1 ) 1.8 0 4.2 assign (segid B and resid 96 and name hb* ) (segid B and resid 120 and name hb2 ) 1.8 0 4.2 assign (segid B and resid 96 and name hn ) (segid B and resid 121 and name ha ) 1.8 0 3.2 assign (segid B and resid 95 and name ha ) (segid B and resid 121 and name ha ) 1.8 0 1.0 assign (segid B and resid 95 and name hg2*) (segid B and resid 121 and name ha ) 1.8 0 3.2 assign (segid B and resid 95 and name hg2*) (segid B and resid 121 and name hg* ) 1.8 0 3.7 assign (segid B and resid 95 and name hg2*) (segid B and resid 121 and name hd* ) 1.8 0 5.2 assign (segid B and resid 95 and name ha ) (segid B and resid 121 and name hg* ) 1.8 0 3.7 assign (segid B and resid 94 and name hn ) (segid B and resid 121 and name hg2*) 1.8 0 4.2 assign (segid B and resid 94 and name hn ) (segid B and resid 122 and name hn ) 1.8 0 3.2 assign (segid B and resid 95 and name ha ) (segid B and resid 122 and name hn ) 1.8 0 3.2 assign (segid B and resid 95 and name hg2*) (segid B and resid 122 and name hn ) 1.8 0 4.2 assign (segid B and resid 93 and name ha ) (segid B and resid 123 and name ha ) 1.8 0 1.5 assign (segid B and resid 93 and name hg2*) (segid B and resid 123 and name ha ) 1.8 0 4.2 assign (segid B and resid 93 and name hg2*) (segid B and resid 123 and name hb* ) 1.8 0 3.5 assign (segid B and resid 93 and name ha ) (segid B and resid 123 and name hb* ) 1.8 0 4.2 assign (segid B and resid 93 and name hg2*) (segid B and resid 124 and name hn ) 1.8 0 4.2 assign (segid B and resid 94 and name hn ) (segid B and resid 123 and name ha ) 1.8 0 3.2 !...............................STRAND 3 and 5.................................. !Hbonds for Strand 3-5 (Pro62-L67, F82-e87) assign (segid B and resid 64 and name n ) (segid B and resid 85 and name o ) 2.5 0 3.5 assign (segid B and resid 64 and name hn ) (segid B and resid 85 and name o ) 1.5 0 2.5 assign (segid B and resid 64 and name o ) (segid B and resid 85 and name n ) 2.5 0 3.5 assign (segid B and resid 64 and name o ) (segid B and resid 85 and name hn ) 1.5 0 2.5 assign (segid B and resid 66 and name n ) (segid B and resid 83 and name o ) 2.5 0 3.5 assign (segid B and resid 66 and name hn ) (segid B and resid 83 and name o ) 1.5 0 2.5 assign (segid B and resid 66 and name o ) (segid B and resid 83 and name n ) 2.5 0 3.5 assign (segid B and resid 66 and name o ) (segid B and resid 83 and name hn ) 1.5 0 2.5 !Long Range Noes assign (segid B and resid 86 and name ha ) (segid B and resid 63 and name ha ) 1.8 0 1.0 assign (segid B and resid 86 and name hd* ) (segid B and resid 63 and name ha ) 1.8 0 5.3 assign (segid B and resid 86 and name hb1 ) (segid B and resid 63 and name ha ) 1.8 0 3.2 assign (segid B and resid 86 and name hb2 ) (segid B and resid 63 and name ha ) 1.8 0 3.2 assign (segid B and resid 86 and name ha ) (segid B and resid 63 and name hd2* ) 1.8 0 4.2 assign (segid B and resid 86 and name hb2 ) (segid B and resid 63 and name hd2* ) 1.8 0 2.5 assign (segid B and resid 86 and name hb1 ) (segid B and resid 63 and name hd2* ) 1.8 0 4.2 assign (segid B and resid 86 and name hd* ) (segid B and resid 63 and name hd2* ) 1.8 0 4.1 assign (segid B and resid 84 and name hg2*) (segid B and resid 63 and name hd2* ) 1.8 0 3.5 assign (segid B and resid 85 and name hn ) (segid B and resid 64 and name hn ) 1.8 0 1.5 assign (segid B and resid 85 and name hb* ) (segid B and resid 64 and name hn ) 1.8 0 3.7 assign (segid B and resid 86 and name ha ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 86 and name hb1 ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 86 and name hb2 ) (segid B and resid 64 and name hn ) 1.8 0 3.2 assign (segid B and resid 84 and name hg1*) (segid B and resid 64 and name hn ) 1.8 0 4.2 assign (segid B and resid 84 and name ha ) (segid B and resid 65 and name ha ) 1.8 0 1.5 assign (segid B and resid 84 and name hg1*) (segid B and resid 65 and name ha ) 1.8 0 4.2 assign (segid B and resid 84 and name hg2*) (segid B and resid 65 and name ha ) 1.8 0 4.2 assign (segid B and resid 84 and name ha ) (segid B and resid 65 and name hg1* ) 1.8 0 4.2 assign (segid B and resid 84 and name ha ) (segid B and resid 65 and name hg2* ) 1.8 0 4.2 assign (segid B and resid 85 and name hn ) (segid B and resid 65 and name ha ) 1.8 0 3.2 !65methyls should see 84methyl strong, but they overlap assign (segid B and resid 83 and name hn ) (segid B and resid 66 and name hn ) 1.8 0 3.2 assign (segid B and resid 83 and name hn ) (segid B and resid 67 and name ha ) 1.8 0 3.2 assign (segid B and resid 84 and name ha ) (segid B and resid 66 and name hn ) 1.8 0 3.2 assign (segid B and resid 82 and name ha ) (segid B and resid 67 and name ha ) 1.8 0 1.0 assign (segid B and resid 82 and name ha ) (segid B and resid 67 and name hd* ) 1.8 0 5.0 assign (segid B and resid 82 and name hb1 ) (segid B and resid 67 and name ha ) 1.8 0 1.5 assign (segid B and resid 82 and name hb2 ) (segid B and resid 67 and name ha ) 1.8 0 1.5 assign (segid B and resid 82 and name hd* ) (segid B and resid 67 and name ha ) 1.8 0 5.3 assign (segid B and resid 82 and name ha ) (segid B and resid 68 and name hg2* ) 1.8 0 3.6 !...............................STRANDS 4 and 5.................................. !Hbonds for Strand 3-5 (V71-A71, E77-F80) assign (segid B and resid 72 and name n ) (segid B and resid 79 and name o ) 2.5 0 3.5 assign (segid B and resid 72 and name hn ) (segid B and resid 79 and name o ) 1.5 0 2.5 assign (segid B and resid 72 and name o ) (segid B and resid 79 and name n ) 2.5 0 3.5 assign (segid B and resid 72 and name o ) (segid B and resid 79 and name hn ) 1.5 0 2.5 assign (segid B and resid 74 and name n ) (segid B and resid 77 and name o ) 2.5 0 3.5 assign (segid B and resid 74 and name hn ) (segid B and resid 77 and name o ) 1.5 0 2.5 assign (segid B and resid 74 and name o ) (segid B and resid 77 and name n ) 2.5 0 3.5 assign (segid B and resid 74 and name o ) (segid B and resid 77 and name hn ) 1.5 0 2.5 !Long Range Noes assign (segid B and resid 109 and name hg2*) (segid B and resid 101 and name hd*) 1.8 0 4.6 assign (segid B and resid 109 and name hg2*) (segid B and resid 101 and name he*) 1.8 0 6.3 assign (segid B and resid 80 and name ha ) (segid B and resid 71 and name ha ) 1.8 0 1.0 assign (segid B and resid 80 and name hb1 ) (segid B and resid 71 and name ha ) 1.8 0 1.5 assign (segid B and resid 80 and name hb2 ) (segid B and resid 71 and name ha ) 1.8 0 1.5 assign (segid B and resid 80 and name hd* ) (segid B and resid 71 and name ha ) 1.8 0 5.3 assign (segid B and resid 80 and name hb2) (segid B and resid 71 and name hg1*) 1.8 0 2.5 assign (segid B and resid 80 and name hb1) (segid B and resid 71 and name hg2*) 1.8 0 2.5 assign (segid B and resid 80 and name ha ) (segid B and resid 71 and name hg2*) 1.8 0 4.2 assign (segid B and resid 81 and name hn ) (segid B and resid 71 and name hg2*) 1.8 0 4.2 assign (segid B and resid 79 and name hn ) (segid B and resid 72 and name hn ) 1.8 0 3.2 assign (segid B and resid 79 and name ha ) (segid B and resid 72 and name hn ) 1.8 0 3.2 assign (segid B and resid 80 and name hb2 ) (segid B and resid 72 and name hn ) 1.8 0 1.5 assign (segid B and resid 80 and name hb1 ) (segid B and resid 72 and name hn ) 1.8 0 3.2 assign (segid B and resid 78 and name ha ) (segid B and resid 73 and name ha ) 1.8 0 1.0 assign (segid B and resid 78 and name hb* ) (segid B and resid 73 and name ha ) 1.8 0 2.5 assign (segid B and resid 78 and name ha ) (segid B and resid 73 and name hb*) 1.8 0 2.5 assign (segid B and resid 78 and name hb* ) (segid B and resid 73 and name hb*) 1.8 0 2.5 assign (segid B and resid 78 and name hb* ) (segid B and resid 103 and name he*) 1.8 0 4.6 assign (segid B and resid 79 and name hn ) (segid B and resid 73 and name ha ) 1.8 0 1.5 assign (segid B and resid 77 and name hn ) (segid B and resid 74 and name hn ) 1.8 0 3.2 assign (segid B and resid 78 and name ha ) (segid B and resid 74 and name hn ) 1.8 0 1.5 assign (segid B and resid 78 and name hb* ) (segid B and resid 74 and name hn ) 1.8 0 4.2 assign (segid B and resid 77 and name hn ) (segid B and resid 75 and name ha ) 1.8 0 3.2 !..............................STRANDS 5 and 6..................................... ! Hbonds for Strands 5-6 (E75-Q89, N91-F103) assign (segid B and resid 78 and name n ) (segid B and resid 101 and name o ) 2.5 0 3.5 assign (segid B and resid 78 and name hn ) (segid B and resid 101 and name o ) 1.5 0 2.5 assign (segid B and resid 78 and name o ) (segid B and resid 101 and name n ) 2.5 0 3.5 assign (segid B and resid 78 and name o ) (segid B and resid 101 and name hn) 1.5 0 2.5 assign (segid B and resid 80 and name n ) (segid B and resid 99 and name o ) 2.5 0 3.5 assign (segid B and resid 80 and name hn ) (segid B and resid 99 and name o ) 1.5 0 2.5 assign (segid B and resid 80 and name o ) (segid B and resid 99 and name n ) 2.5 0 3.5 assign (segid B and resid 80 and name o ) (segid B and resid 99 and name hn ) 1.5 0 2.5 assign (segid B and resid 82 and name n ) (segid B and resid 97 and name o ) 2.5 0 3.5 assign (segid B and resid 82 and name hn ) (segid B and resid 97 and name o ) 1.5 0 2.5 assign (segid B and resid 84 and name n ) (segid B and resid 95 and name o ) 2.5 0 3.5 assign (segid B and resid 84 and name hn ) (segid B and resid 95 and name o ) 1.5 0 2.5 assign (segid B and resid 84 and name o ) (segid B and resid 95 and name n ) 2.5 0 3.5 assign (segid B and resid 84 and name o ) (segid B and resid 95 and name hn ) 1.5 0 2.5 assign (segid B and resid 86 and name n ) (segid B and resid 93 and name o ) 2.5 0 3.5 assign (segid B and resid 86 and name hn ) (segid B and resid 93 and name o ) 1.5 0 2.5 assign (segid B and resid 86 and name o ) (segid B and resid 93 and name n ) 2.5 0 3.5 assign (segid B and resid 86 and name o ) (segid B and resid 93 and name hn ) 1.5 0 2.5 assign (segid B and resid 88 and name n ) (segid B and resid 91 and name o ) 2.5 0 3.5 assign (segid B and resid 88 and name hn ) (segid B and resid 91 and name o ) 1.5 0 2.5 !Long Range Noes, Strand 5-6 assign (segid B and resid 102 and name ha ) (segid B and resid 77 and name ha ) 1.8 0 1.0 assign (segid B and resid 102 and name hb1) (segid B and resid 77 and name ha ) 1.8 0 3.2 assign (segid B and resid 102 and name hb2) (segid B and resid 77 and name ha ) 1.8 0 3.2 assign (segid B and resid 102 and name hg*) (segid B and resid 77 and name ha ) 1.8 0 3.7 assign (segid B and resid 103 and name hn ) (segid B and resid 77 and name ha ) 1.8 0 1.5 assign (segid B and resid 103 and name hn ) (segid B and resid 77 and name hb1) 1.8 0 3.2 assign (segid B and resid 102 and name ha) (segid B and resid 77 and name hb1) 1.8 0 3.2 assign (segid B and resid 102 and name ha) (segid B and resid 77 and name hb2) 1.8 0 3.2 assign (segid B and resid 102 and name ha) (segid B and resid 77 and name hg1) 1.8 0 1.5 assign (segid B and resid 102 and name ha) (segid B and resid 77 and name hg2) 1.8 0 1.5 assign (segid B and resid 102 and name ha ) (segid B and resid 78 and name hn ) 1.8 0 3.2 assign (segid B and resid 101 and name hb1) (segid B and resid 78 and name hn ) 1.8 0 1.5 assign (segid B and resid 100 and name ha ) (segid B and resid 79 and name ha ) 1.8 0 1.0 assign (segid B and resid 100 and name hb1) (segid B and resid 79 and name ha ) 1.8 0 3.2 assign (segid B and resid 100 and name hb2) (segid B and resid 79 and name ha ) 1.8 0 3.2 assign (segid B and resid 100 and name ha ) (segid B and resid 79 and name hb*) 1.8 0 2.5 assign (segid B and resid 101 and name hn ) (segid B and resid 79 and name ha ) 1.8 0 3.2 assign (segid B and resid 101 and name hn ) (segid B and resid 79 and name hb*) 1.8 0 4.2 assign (segid B and resid 101 and name hn ) (segid B and resid 78 and name hn ) 1.8 0 1.5 assign (segid B and resid 101 and name hz ) (segid B and resid 80 and name hz ) 1.8 0 3.2 assign (segid B and resid 100 and name ha ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 99 and name hn ) (segid B and resid 80 and name hn ) 1.8 0 1.5 assign (segid B and resid 99 and name hb1 ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 99 and name hb2 ) (segid B and resid 80 and name hn ) 1.8 0 3.2 assign (segid B and resid 99 and name hb1 ) (segid B and resid 80 and name hd*) 1.8 0 5.6 assign (segid B and resid 99 and name hb2 ) (segid B and resid 80 and name hd*) 1.8 0 5.6 assign (segid B and resid 99 and name hb1 ) (segid B and resid 80 and name hz ) 1.8 0 3.2 assign (segid B and resid 99 and name hb2 ) (segid B and resid 80 and name hz ) 1.8 0 3.2 assign (segid B and resid 98 and name hg2*) (segid B and resid 80 and name hn ) 1.8 0 2.5 assign (segid B and resid 98 and name hg2*) (segid B and resid 80 and name ha ) 1.8 0 2.5 assign (segid B and resid 98 and name ha ) (segid B and resid 81 and name ha ) 1.8 0 1.0 assign (segid B and resid 98 and name hg2*) (segid B and resid 81 and name ha ) 1.8 0 4.2 assign (segid B and resid 98 and name hd* ) (segid B and resid 81 and name ha ) 1.8 0 4.2 assign (segid B and resid 98 and name hg1*) (segid B and resid 81 and name ha ) 1.8 0 2.0 assign (segid B and resid 98 and name ha ) (segid B and resid 81 and name hb*) 1.8 0 2.5 assign (segid B and resid 98 and name hg1*) (segid B and resid 81 and name hb*) 1.8 0 3.0 assign (segid B and resid 98 and name hg2*) (segid B and resid 81 and name hb*) 1.8 0 3.0 assign (segid B and resid 98 and name hd* ) (segid B and resid 81 and name hb*) 1.8 0 3.5 assign (segid B and resid 98 and name ha ) (segid B and resid 82 and name hn ) 1.8 0 3.2 assign (segid B and resid 96 and name ha ) (segid B and resid 83 and name ha ) 1.8 0 1.0 assign (segid B and resid 96 and name hb* ) (segid B and resid 83 and name ha ) 1.8 0 4.2 assign (segid B and resid 96 and name ha ) (segid B and resid 83 and name hg2*) 1.8 0 2.0 assign (segid B and resid 96 and name hb* ) (segid B and resid 83 and name hg2*) 1.8 0 3.5 assign (segid B and resid 95 and name hn ) (segid B and resid 84 and name hn ) 1.8 0 1.5 assign (segid B and resid 96 and name ha ) (segid B and resid 84 and name hn ) 1.8 0 3.2 assign (segid B and resid 95 and name hb ) (segid B and resid 84 and name hn ) 1.8 0 1.5 assign (segid B and resid 96 and name hb* ) (segid B and resid 84 and name hn ) 1.8 0 4.2 assign (segid B and resid 95 and name hg1*) (segid B and resid 84 and name hn ) 1.8 0 2.5 assign (segid B and resid 95 and name hn ) (segid B and resid 85 and name ha ) 1.8 0 2.0 assign (segid B and resid 94 and name ha ) (segid B and resid 85 and name ha ) 1.8 0 1.0 assign (segid B and resid 94 and name hb ) (segid B and resid 85 and name ha ) 1.8 0 3.2 assign (segid B and resid 94 and name hg2*) (segid B and resid 85 and name ha ) 1.8 0 2.0 assign (segid B and resid 94 and name ha ) (segid B and resid 85 and name hb*) 1.8 0 4.2 assign (segid B and resid 95 and name hn ) (segid B and resid 85 and name hb*) 1.8 0 3.7 assign (segid B and resid 95 and name hg2*) (segid B and resid 86 and name he*) 1.8 0 4.1 assign (segid B and resid 94 and name hg2*) (segid B and resid 85 and name hb*) 1.8 0 2.0 assign (segid B and resid 94 and name ha ) (segid B and resid 86 and name hn ) 1.8 0 3.2 assign (segid B and resid 94 and name hg2*) (segid B and resid 86 and name hn ) 1.8 0 4.9 assign (segid B and resid 93 and name hn ) (segid B and resid 86 and name hn ) 1.8 0 3.2 assign (segid B and resid 93 and name hg2*) (segid B and resid 86 and name he*) 1.8 0 4.1 assign (segid B and resid 93 and name hb ) (segid B and resid 86 and name he*) 1.8 0 3.6 assign (segid B and resid 93 and name hb ) (segid B and resid 88 and name he*) 1.8 0 3.1 assign (segid B and resid 93 and name hn ) (segid B and resid 87 and name ha ) 1.8 0 2.0 assign (segid B and resid 93 and name hn ) (segid B and resid 87 and name hb*) 1.8 0 3.7 assign (segid B and resid 92 and name ha ) (segid B and resid 87 and name ha ) 1.8 0 1.5 assign (segid B and resid 92 and name ha ) (segid B and resid 87 and name hb*) 1.8 0 4.2 assign (segid B and resid 92 and name ha ) (segid B and resid 88 and name hn ) 1.8 0 2.0 assign (segid B and resid 91 and name hn ) (segid B and resid 88 and name hn ) 1.8 0 3.2 assign (segid B and resid 92 and name hb* ) (segid B and resid 88 and name hn ) 1.8 0 3.2 assign (segid B and resid 87 and name hg* ) (segid B and resid 91 and name hn ) 1.8 0 3.2 !.................................STRANDS 6 and 7............................. !Hbonds between strands 6 and 7 (I98-R102, S111-F116) assign (segid B and resid 111 and name n ) (segid B and resid 102 and name o ) 2.5 0 3.5 assign (segid B and resid 111 and name hn ) (segid B and resid 102 and name o ) 1.5 0 2.5 assign (segid B and resid 111 and name o ) (segid B and resid 102 and name n ) 2.5 0 3.5 assign (segid B and resid 111 and name o ) (segid B and resid 102 and name hn) 1.5 0 2.5 assign (segid B and resid 113 and name n ) (segid B and resid 100 and name o ) 2.5 0 3.5 assign (segid B and resid 113 and name hn ) (segid B and resid 100 and name o ) 1.5 0 2.5 assign (segid B and resid 113 and name o ) (segid B and resid 100 and name n ) 2.5 0 3.5 assign (segid B and resid 113 and name o ) (segid B and resid 100 and name hn) 1.5 0 2.5 assign (segid B and resid 115 and name n ) (segid B and resid 98 and name o ) 2.5 0 3.5 assign (segid B and resid 115 and name hn ) (segid B and resid 98 and name o ) 1.5 0 2.5 assign (segid B and resid 115 and name o ) (segid B and resid 98 and name n ) 2.5 0 3.5 assign (segid B and resid 115 and name o ) (segid B and resid 98 and name hn ) 1.5 0 2.5 !long Range Noes assign (segid B and resid 116 and name hd*) (segid B and resid 121 and name hd*) 1.8 0 5.3 assign (segid B and resid 116 and name he*) (segid B and resid 121 and name hd*) 1.8 0 4.1 assign (segid B and resid 116 and name hd*) (segid B and resid 95 and name hg1*) 1.8 0 4.1 assign (segid B and resid 116 and name ha ) (segid B and resid 97 and name ha ) 1.8 0 3.2 assign (segid B and resid 116 and name hb1) (segid B and resid 97 and name ha ) 1.8 0 3.2 assign (segid B and resid 116 and name hb2) (segid B and resid 97 and name ha ) 1.8 0 3.2 assign (segid B and resid 116 and name hd*) (segid B and resid 97 and name ha ) 1.8 0 5.3 assign (segid B and resid 115 and name hn ) (segid B and resid 98 and name hn ) 1.8 0 3.2 assign (segid B and resid 116 and name ha ) (segid B and resid 98 and name hn ) 1.8 0 3.2 assign (segid B and resid 114 and name ha ) (segid B and resid 99 and name ha ) 1.8 0 1.0 assign (segid B and resid 114 and name hb*) (segid B and resid 99 and name ha ) 1.8 0 4.2 assign (segid B and resid 115 and name hn ) (segid B and resid 99 and name ha ) 1.8 0 1.5 assign (segid B and resid 115 and name hn ) (segid B and resid 100 and name hn) 1.8 0 3.2 assign (segid B and resid 113 and name hn ) (segid B and resid 100 and name hn) 1.8 0 1.5 assign (segid B and resid 114 and name ha ) (segid B and resid 100 and name hn) 1.8 0 3.2 assign (segid B and resid 112 and name hg1) (segid B and resid 100 and name hn) 1.8 0 3.2 assign (segid B and resid 101 and name hd*) (segid B and resid 100 and name hn) 1.8 0 5.3 assign (segid B and resid 101 and name hd*) (segid B and resid 100 and name ha) 1.8 0 5.3 assign (segid B and resid 112 and name ha ) (segid B and resid 101 and name ha) 1.8 0 1.0 assign (segid B and resid 113 and name hn ) (segid B and resid 101 and name ha) 1.8 0 3.2 assign (segid B and resid 113 and name hn ) (segid B and resid 101 and name hd*) 1.8 0 5.3 assign (segid B and resid 112 and name hg1) (segid B and resid 101 and name hd*) 1.8 0 3.6 assign (segid B and resid 112 and name hg2) (segid B and resid 101 and name hd*) 1.8 0 3.6 assign (segid B and resid 112 and name hg1) (segid B and resid 101 and name he*) 1.8 0 3.6 assign (segid B and resid 112 and name hg2) (segid B and resid 101 and name he*) 1.8 0 3.6 assign (segid B and resid 112 and name ha ) (segid B and resid 101 and name hd*) 1.8 0 3.6 assign (segid B and resid 111 and name hn ) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 112 and name ha ) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 111 and name hb*) (segid B and resid 102 and name hn ) 1.8 0 3.2 assign (segid B and resid 111 and name hn ) (segid B and resid 102 and name hb1) 1.8 0 3.2 assign (segid B and resid 111 and name hn ) (segid B and resid 102 and name hb2) 1.8 0 3.2 assign (segid B and resid 112 and name hg1) (segid B and resid 102 and name hn ) 1.8 0 1.5 assign (segid B and resid 112 and name hg2) (segid B and resid 102 and name hn ) 2.5 0 3.2 assign (segid B and resid 109 and name ha ) (segid B and resid 103 and name ha ) 1.8 0 1.0 assign (segid B and resid 109 and name hg1*) (segid B and resid 103 and name ha) 1.8 0 4.2 assign (segid B and resid 109 and name hg2*) (segid B and resid 103 and name ha) 1.8 0 4.2 assign (segid B and resid 110 and name hn ) (segid B and resid 103 and name ha ) 1.8 0 1.5 assign (segid B and resid 110 and name hg2*) (segid B and resid 103 and name ha) 1.8 0 4.2 assign (segid B and resid 111 and name hn ) (segid B and resid 103 and name ha ) 1.8 0 3.2 assign (segid B and resid 110 and name hn ) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 107 and name hn ) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 109 and name ha ) (segid B and resid 104 and name hn ) 1.8 0 3.2 assign (segid B and resid 108 and name hn ) (segid B and resid 104 and name hn ) 1.8 0 3.2 !............................Coil 1 (1-4)..................................... !Met1 assign (segid B and resid 1 and name hb* ) (segid B and resid 1 and name ha ) 1.8 0 1.5 assign (segid B and resid 1 and name hg* ) (segid B and resid 1 and name ha ) 1.8 0 3.7 !Asn2 assign (segid B and resid 2 and name hb1 ) (segid B and resid 2 and name ha ) 1.8 0 2.5 assign (segid B and resid 2 and name hb2 ) (segid B and resid 2 and name ha ) 1.8 0 2.5 !Thr3 assign (segid B and resid 3 and name hb ) (segid B and resid 3 and name hn ) 1.8 0 1.0 assign (segid B and resid 3 and name hg2* ) (segid B and resid 3 and name hn ) 1.8 0 4.2 assign (segid B and resid 3 and name hb ) (segid B and resid 3 and name ha ) 1.8 0 1.0 assign (segid B and resid 3 and name hg2* ) (segid B and resid 3 and name ha ) 1.8 0 2.5 assign (segid B and resid 2 and name ha ) (segid B and resid 3 and name hn ) 1.8 0 1.0 assign (segid B and resid 2 and name hb1 ) (segid B and resid 3 and name hn ) 1.8 0 3.2 assign (segid B and resid 2 and name hb2 ) (segid B and resid 3 and name hn ) 1.8 0 3.2 !............................Helix I.................................... !Pro4 assign (segid B and resid 4 and name hb1 ) (segid B and resid 4 and name ha ) 1.8 0 3.2 assign (segid B and resid 4 and name hb2 ) (segid B and resid 4 and name ha ) 1.8 0 1.5 assign (segid B and resid 4 and name hg1 ) (segid B and resid 4 and name ha ) 1.8 0 3.2 assign (segid B and resid 3 and name ha ) (segid B and resid 4 and name hd1 ) 1.8 0 1.0 assign (segid B and resid 3 and name ha ) (segid B and resid 4 and name hd2 ) 1.8 0 1.0 assign (segid B and resid 3 and name ha ) (segid B and resid 4 and name hg1 ) 1.8 0 3.2 assign (segid B and resid 3 and name ha ) (segid B and resid 4 and name hg2 ) 1.8 0 3.2 !Glu5 assign (segid B and resid 5 and name ha ) (segid B and resid 5 and name hn ) 1.8 0 1.5 assign (segid B and resid 5 and name hg1 ) (segid B and resid 5 and name hn ) 1.8 0 3.2 assign (segid B and resid 5 and name hg2 ) (segid B and resid 5 and name hn ) 1.8 0 3.2 assign (segid B and resid 5 and name hb1 ) (segid B and resid 5 and name hn ) 1.8 0 3.2 assign (segid B and resid 5 and name hb2 ) (segid B and resid 5 and name hn ) 1.8 0 1.5 assign (segid B and resid 5 and name hg1 ) (segid B and resid 5 and name ha ) 1.8 0 1.5 assign (segid B and resid 5 and name hg2 ) (segid B and resid 5 and name ha ) 1.8 0 1.5 assign (segid B and resid 4 and name ha ) (segid B and resid 5 and name hn ) 1.8 0 3.2 assign (segid B and resid 3 and name ha ) (segid B and resid 5 and name hn ) 1.8 0 1.5 !His6 assign (segid B and resid 6 and name hb* ) (segid B and resid 6 and name hn ) 1.8 0 2.0 assign (segid B and resid 6 and name hb* ) (segid B and resid 6 and name ha ) 1.8 0 4.2 !Met7 assign (segid B and resid 7 and name he* ) (segid B and resid 7 and name hn ) 1.8 0 2.5 assign (segid B and resid 7 and name hb1 ) (segid B and resid 7 and name hn ) 1.8 0 1.5 assign (segid B and resid 7 and name hb2 ) (segid B and resid 7 and name hn ) 1.8 0 3.2 assign (segid B and resid 7 and name hg1 ) (segid B and resid 7 and name hn ) 1.8 0 1.5 assign (segid B and resid 7 and name hg2 ) (segid B and resid 7 and name hn ) 1.8 0 1.5 assign (segid B and resid 7 and name hg1 ) (segid B and resid 7 and name ha ) 1.8 0 1.5 assign (segid B and resid 7 and name hg2 ) (segid B and resid 7 and name ha ) 1.8 0 1.5 assign (segid B and resid 7 and name hb1 ) (segid B and resid 7 and name ha ) 1.8 0 3.2 assign (segid B and resid 7 and name hb2 ) (segid B and resid 7 and name ha ) 1.8 0 3.2 assign (segid B and resid 7 and name he* ) (segid B and resid 7 and name ha ) 1.8 0 4.3 !Thr8 assign (segid B and resid 8 and name hb ) (segid B and resid 8 and name hn ) 1.8 0 1.0 assign (segid B and resid 8 and name hg2* ) (segid B and resid 8 and name hn ) 1.8 0 4.2 assign (segid B and resid 8 and name hb ) (segid B and resid 8 and name ha ) 1.8 0 3.2 assign (segid B and resid 8 and name hg2* ) (segid B and resid 8 and name ha ) 1.8 0 2.0 !Ala9 assign (segid B and resid 9 and name hb* ) (segid B and resid 9 and name hn ) 1.8 0 2.0 assign (segid B and resid 9 and name hb* ) (segid B and resid 9 and name ha ) 1.8 0 2.0 assign (segid B and resid 8 and name hg2* ) (segid B and resid 9 and name hn ) 1.8 0 2.5 assign (segid B and resid 8 and name hg2* ) (segid B and resid 9 and name ha ) 1.8 0 4.2 assign (segid B and resid 8 and name hb ) (segid B and resid 9 and name hn ) 1.8 0 1.5 assign (segid B and resid 8 and name hg2* ) (segid B and resid 9 and name ha ) 1.8 0 2.5 !Val10 assign (segid B and resid 10 and name hb ) (segid B and resid 10 and name hn ) 1.8 0 1.0 assign (segid B and resid 10 and name hg1*) (segid B and resid 10 and name hn ) 1.8 0 4.2 assign (segid B and resid 10 and name hg2*) (segid B and resid 10 and name hn ) 1.8 0 2.0 assign (segid B and resid 10 and name hg1*)(segid B and resid 10 and name ha ) 1.8 0 2.0 assign (segid B and resid 10 and name hg2*)(segid B and resid 10 and name ha ) 1.8 0 2.0 assign (segid B and resid 10 and name hb ) (segid B and resid 10 and name ha ) 1.8 0 3.2 assign (segid B and resid 9 and name hb* ) (segid B and resid 10 and name ha ) 2.5 0 4.2 assign (segid B and resid 9 and name hb* ) (segid B and resid 10 and name hn ) 1.8 0 2.0 !Val11 assign (segid B and resid 11 and name hb ) (segid B and resid 11 and name hn ) 1.8 0 1.0 assign (segid B and resid 11 and name hg2*) (segid B and resid 11 and name hn ) 1.8 0 2.0 assign (segid B and resid 11 and name hg1*) (segid B and resid 11 and name hn ) 1.8 0 4.2 assign (segid B and resid 11 and name hg1*) (segid B and resid 11 and name ha ) 1.8 0 2.0 assign (segid B and resid 11 and name hg2*) (segid B and resid 11 and name ha ) 1.8 0 2.0 assign (segid B and resid 11 and name hb ) (segid B and resid 11 and name ha ) 1.8 0 3.2 assign (segid B and resid 10 and name hg1*) (segid B and resid 11 and name ha ) 1.8 0 3.2 assign (segid B and resid 10 and name hb ) (segid B and resid 11 and name hn ) 1.8 0 1.5 assign (segid B and resid 10 and name hg1*) (segid B and resid 11 and name hn ) 1.8 0 2.5 assign (segid B and resid 10 and name hg2*) (segid B and resid 11 and name hn ) 1.8 0 4.2 assign (segid B and resid 10 and name hg1*) (segid B and resid 11 and name hg2*) 1.8 0 4.2 !Gln12 assign (segid B and resid 12 and name hb1 ) (segid B and resid 12 and name hn ) 1.8 0 1.0 assign (segid B and resid 12 and name hb2 ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hg1 ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hg2 ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hg1 ) (segid B and resid 12 and name ha ) 1.8 0 1.0 assign (segid B and resid 12 and name hg2 ) (segid B and resid 12 and name ha ) 1.8 0 1.0 assign (segid B and resid 12 and name hb1 ) (segid B and resid 12 and name ha ) 1.8 0 3.2 assign (segid B and resid 12 and name hb2 ) (segid B and resid 12 and name ha ) 1.8 0 3.2 assign (segid B and resid 11 and name hg1*) (segid B and resid 12 and name ha ) 1.8 0 4.2 assign (segid B and resid 11 and name hb ) (segid B and resid 12 and name hn ) 1.8 0 1.0 assign (segid B and resid 11 and name hg1*) (segid B and resid 12 and name hn ) 1.8 0 2.0 !Arg13 assign (segid B and resid 13 and name hb1 ) (segid B and resid 13 and name hn ) 1.8 0 1.5 assign (segid B and resid 13 and name hg2 ) (segid B and resid 13 and name hn ) 1.8 0 2.0 assign (segid B and resid 13 and name hb1 ) (segid B and resid 13 and name ha ) 1.8 0 3.2 assign (segid B and resid 13 and name hb2 ) (segid B and resid 13 and name ha ) 1.8 0 3.2 assign (segid B and resid 13 and name hg1 ) (segid B and resid 13 and name ha ) 1.8 0 1.0 assign (segid B and resid 13 and name hg2 ) (segid B and resid 13 and name ha ) 1.8 0 1.0 assign (segid B and resid 12 and name hg1 ) (segid B and resid 13 and name hn ) 1.8 0 2.0 assign (segid B and resid 12 and name hg2 ) (segid B and resid 13 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hb1 ) (segid B and resid 13 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hb2 ) (segid B and resid 13 and name hn ) 1.8 0 1.5 !Tyr14 assign (segid B and resid 14 and name hb1 ) (segid B and resid 14 and name hn ) 1.8 0 1.5 assign (segid B and resid 14 and name hb2 ) (segid B and resid 14 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name hd* ) (segid B and resid 14 and name hn ) 1.8 0 3.9 assign (segid B and resid 14 and name hb1 ) (segid B and resid 14 and name ha ) 1.8 0 3.2 assign (segid B and resid 14 and name hb2 ) (segid B and resid 14 and name ha ) 1.8 0 3.2 assign (segid B and resid 14 and name hd* ) (segid B and resid 14 and name ha ) 1.8 0 3.9 assign (segid B and resid 14 and name hh ) (segid B and resid 14 and name he* ) 2.2 0 1.8 assign (segid B and resid 13 and name hb1 ) (segid B and resid 14 and name hn ) 1.8 0 1.0 assign (segid B and resid 13 and name hb2 ) (segid B and resid 14 and name hn ) 1.8 0 1.0 !Val15 assign (segid B and resid 15 and name hg2*) (segid B and resid 15 and name hn ) 1.8 0 2.0 assign (segid B and resid 15 and name hg1*) (segid B and resid 15 and name hn ) 1.8 0 4.2 assign (segid B and resid 15 and name hb ) (segid B and resid 15 and name hn ) 1.8 0 1.0 assign (segid B and resid 15 and name hb ) (segid B and resid 15 and name ha ) 1.8 0 3.2 assign (segid B and resid 15 and name hg1*) (segid B and resid 15 and name ha ) 1.8 0 2.0 assign (segid B and resid 15 and name hg2*) (segid B and resid 15 and name ha ) 1.8 0 2.0 assign (segid B and resid 14 and name hd* ) (segid B and resid 15 and name ha ) 1.8 0 5.3 assign (segid B and resid 14 and name hb2 ) (segid B and resid 15 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name hd* ) (segid B and resid 15 and name hn ) 1.8 0 5.6 assign (segid B and resid 14 and name hd* ) (segid B and resid 15 and name hg2*) 1.8 0 5.6 assign (segid B and resid 12 and name ha ) (segid B and resid 15 and name hg2*) 1.8 0 4.2 assign (segid B and resid 11 and name hg1*) (segid B and resid 15 and name hg2*) 1.8 0 5.2 !Ala16 assign (segid B and resid 16 and name hb* ) (segid B and resid 16 and name hn ) 1.8 0 2.0 assign (segid B and resid 16 and name hb* ) (segid B and resid 16 and name ha ) 1.8 0 2.0 assign (segid B and resid 15 and name hb ) (segid B and resid 16 and name hn ) 1.8 0 1.5 assign (segid B and resid 15 and name hg2*) (segid B and resid 16 and name hn ) 1.8 0 4.2 assign (segid B and resid 15 and name hg1*) (segid B and resid 16 and name hn ) 1.8 0 2.5 assign (segid B and resid 15 and name hb ) (segid B and resid 16 and name ha ) 1.8 0 3.2 assign (segid B and resid 15 and name hg1*) (segid B and resid 16 and name ha ) 1.8 0 2.5 !Ala17 assign (segid B and resid 17 and name hb* ) (segid B and resid 17 and name hn ) 1.8 0 2.0 assign (segid B and resid 17 and name hb* ) (segid B and resid 17 and name ha ) 1.8 0 2.0 assign (segid B and resid 16 and name hb* ) (segid B and resid 17 and name ha ) 1.8 0 4.2 assign (segid B and resid 16 and name hb* ) (segid B and resid 17 and name hn ) 1.8 0 2.5 !Leu18 assign (segid B and resid 18 and name hb1 ) (segid B and resid 18 and name hn ) 1.8 0 1.5 assign (segid B and resid 18 and name hb2 ) (segid B and resid 18 and name hn ) 1.8 0 1.0 assign (segid B and resid 18 and name hg ) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name hd2*) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name hd1*) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name hb1 ) (segid B and resid 18 and name ha ) 1.8 0 3.2 assign (segid B and resid 18 and name hb2 ) (segid B and resid 18 and name ha ) 1.8 0 3.2 assign (segid B and resid 18 and name hg ) (segid B and resid 18 and name ha ) 1.8 0 1.5 assign (segid B and resid 18 and name hd1*) (segid B and resid 18 and name ha ) 1.8 0 4.2 assign (segid B and resid 18 and name hd2*) (segid B and resid 18 and name ha ) 1.8 0 2.0 assign (segid B and resid 17 and name hb* ) (segid B and resid 18 and name ha ) 1.8 0 4.2 assign (segid B and resid 17 and name hb* ) (segid B and resid 18 and name hn ) 1.8 0 2.0 assign (segid B and resid 15 and name hb* ) (segid B and resid 18 and name hd1*) 1.8 0 2.5 assign (segid B and resid 14 and name hd* ) (segid B and resid 18 and name hd1*) 1.8 0 5.3 assign (segid B and resid 14 and name he* ) (segid B and resid 18 and name hd1*) 1.8 0 5.3 !Asn19 assign (segid B and resid 19 and name hb* ) (segid B and resid 19 and name hn ) 1.8 0 2.0 assign (segid B and resid 19 and name hb1 ) (segid B and resid 19 and name ha ) 1.8 0 3.2 assign (segid B and resid 19 and name hb2 ) (segid B and resid 19 and name ha ) 1.8 0 3.2 assign (segid B and resid 18 and name hb1 ) (segid B and resid 19 and name hn ) 1.8 0 1.0 assign (segid B and resid 18 and name hb2 ) (segid B and resid 19 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name hd2*) (segid B and resid 19 and name hn ) 1.8 0 4.2 !Ala20 assign (segid B and resid 20 and name hb* ) (segid B and resid 20 and name hn ) 1.8 0 2.0 assign (segid B and resid 20 and name hb* ) (segid B and resid 20 and name ha ) 1.8 0 2.0 assign (segid B and resid 19 and name hb2 ) (segid B and resid 20 and name ha ) 1.8 0 3.7 assign (segid B and resid 19 and name hb2 ) (segid B and resid 20 and name hn ) 1.8 0 1.5 !Gly21 assign (segid B and resid 21 and name ha1 ) (segid B and resid 21 and name hn ) 1.8 0 1.0 assign (segid B and resid 21 and name ha2 ) (segid B and resid 21 and name hn ) 1.8 0 1.0 assign (segid B and resid 20 and name hb* ) (segid B and resid 21 and name hn ) 1.8 0 2.5 assign (segid B and resid 20 and name ha ) (segid B and resid 21 and name hn ) 1.8 0 3.2 !.....................Hbonds for Helix 1 (Glu5-G21)......................... assign (segid B and resid 8 and name n ) (segid B and resid 4 and name o ) 2.5 0 3.5 assign (segid B and resid 8 and name hn ) (segid B and resid 4 and name o ) 1.5 0 2.5 assign (segid B and resid 9 and name n ) (segid B and resid 5 and name o ) 2.5 0 3.5 assign (segid B and resid 9 and name hn ) (segid B and resid 5 and name o ) 1.5 0 2.5 assign (segid B and resid 10 and name n ) (segid B and resid 6 and name o ) 2.5 0 3.5 assign (segid B and resid 10 and name hn ) (segid B and resid 6 and name o ) 1.5 0 2.5 assign (segid B and resid 11 and name n ) (segid B and resid 7 and name o ) 2.5 0 3.5 assign (segid B and resid 11 and name hn ) (segid B and resid 7 and name o ) 1.5 0 2.5 assign (segid B and resid 12 and name n ) (segid B and resid 8 and name o ) 2.5 0 3.5 assign (segid B and resid 12 and name hn ) (segid B and resid 8 and name o ) 1.5 0 2.5 assign (segid B and resid 13 and name n ) (segid B and resid 9 and name o ) 2.5 0 3.5 assign (segid B and resid 13 and name hn ) (segid B and resid 9 and name o ) 1.5 0 2.5 assign (segid B and resid 14 and name n ) (segid B and resid 10 and name o ) 2.5 0 3.5 assign (segid B and resid 14 and name hn ) (segid B and resid 10 and name o ) 1.5 0 2.5 assign (segid B and resid 15 and name n ) (segid B and resid 11 and name o ) 2.5 0 3.5 assign (segid B and resid 15 and name hn ) (segid B and resid 11 and name o ) 1.5 0 2.5 assign (segid B and resid 16 and name n ) (segid B and resid 12 and name o ) 2.5 0 3.5 assign (segid B and resid 16 and name hn ) (segid B and resid 12 and name o ) 1.5 0 2.5 assign (segid B and resid 17 and name n ) (segid B and resid 13 and name o ) 2.5 0 3.5 assign (segid B and resid 17 and name hn ) (segid B and resid 13 and name o ) 1.5 0 2.5 assign (segid B and resid 18 and name n ) (segid B and resid 14 and name o ) 2.5 0 3.5 assign (segid B and resid 18 and name hn ) (segid B and resid 14 and name o ) 1.5 0 2.5 assign (segid B and resid 19 and name n ) (segid B and resid 15 and name o ) 2.5 0 3.5 assign (segid B and resid 19 and name hn ) (segid B and resid 15 and name o ) 1.5 0 2.5 assign (segid B and resid 20 and name n ) (segid B and resid 16 and name o ) 2.5 0 3.5 assign (segid B and resid 20 and name hn ) (segid B and resid 16 and name o ) 1.5 0 2.5 assign (segid B and resid 21 and name n ) (segid B and resid 17 and name o ) 2.5 0 3.5 assign (segid B and resid 21 and name hn ) (segid B and resid 17 and name o ) 1.5 0 2.5 !.............................Helix 1 (NH-NHi+1)........................ assign (segid B and resid 5 and name hn ) (segid B and resid 6 and name hn ) 1.8 0 3.2 assign (segid B and resid 6 and name hn ) (segid B and resid 7 and name hn ) 1.8 0 1.0 assign (segid B and resid 7 and name hn ) (segid B and resid 8 and name hn ) 1.8 0 1.0 assign (segid B and resid 8 and name hn ) (segid B and resid 9 and name hn ) 1.8 0 1.0 assign (segid B and resid 9 and name hn ) (segid B and resid 10 and name hn ) 1.8 0 1.0 assign (segid B and resid 10 and name hn ) (segid B and resid 11 and name hn ) 1.8 0 1.0 assign (segid B and resid 11 and name hn ) (segid B and resid 12 and name hn ) 1.8 0 1.0 assign (segid B and resid 12 and name hn ) (segid B and resid 13 and name hn ) 1.8 0 1.0 assign (segid B and resid 13 and name hn ) (segid B and resid 14 and name hn ) 1.8 0 1.0 assign (segid B and resid 14 and name hn ) (segid B and resid 15 and name hn ) 1.8 0 1.0 assign (segid B and resid 15 and name hn ) (segid B and resid 16 and name hn ) 1.8 0 1.0 assign (segid B and resid 16 and name hn ) (segid B and resid 17 and name hn ) 1.8 0 1.0 assign (segid B and resid 17 and name hn ) (segid B and resid 18 and name hn ) 1.8 0 1.0 assign (segid B and resid 18 and name hn ) (segid B and resid 19 and name hn ) 1.8 0 1.0 assign (segid B and resid 19 and name hn ) (segid B and resid 20 and name hn ) 1.8 0 1.0 assign (segid B and resid 20 and name hn ) (segid B and resid 21 and name hn ) 1.8 0 1.0 !..........................Helix 1 (NH-NHi+2).................................. assign (segid B and resid 6 and name hn ) (segid B and resid 8 and name hn ) 1.8 0 3.2 assign (segid B and resid 7 and name hn ) (segid B and resid 9 and name hn ) 1.8 0 3.2 assign (segid B and resid 8 and name hn ) (segid B and resid 10 and name hn ) 1.8 0 3.2 assign (segid B and resid 9 and name hn ) (segid B and resid 11 and name hn ) 1.8 0 3.2 assign (segid B and resid 10 and name hn ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 11 and name hn ) (segid B and resid 13 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name hn ) (segid B and resid 14 and name hn ) 1.8 0 3.2 assign (segid B and resid 13 and name hn ) (segid B and resid 15 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name hn ) (segid B and resid 16 and name hn ) 1.8 0 3.2 assign (segid B and resid 15 and name hn ) (segid B and resid 17 and name hn ) 1.8 0 3.2 assign (segid B and resid 17 and name hn ) (segid B and resid 19 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name hn ) (segid B and resid 20 and name hn ) 1.8 0 3.2 !.............................Helix 1 (NH-NHi+3)............................. assign (segid B and resid 6 and name hn ) (segid B and resid 9 and name hn ) 1.8 0 3.2 assign (segid B and resid 8 and name hn ) (segid B and resid 11 and name hn ) 1.8 0 3.2 assign (segid B and resid 9 and name hn ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name hn ) (segid B and resid 17 and name hn ) 1.8 0 3.2 assign (segid B and resid 15 and name hn ) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 16 and name hn ) (segid B and resid 19 and name hn ) 1.8 0 3.2 assign (segid B and resid 17 and name hn ) (segid B and resid 20 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-NHi+3)................................ assign (segid B and resid 4 and name ha ) (segid B and resid 7 and name hn ) 1.8 0 3.2 assign (segid B and resid 5 and name ha ) (segid B and resid 8 and name hn ) 1.8 0 3.2 assign (segid B and resid 6 and name ha ) (segid B and resid 9 and name hn ) 1.8 0 3.2 assign (segid B and resid 7 and name ha ) (segid B and resid 10 and name hn ) 1.8 0 3.2 assign (segid B and resid 8 and name ha ) (segid B and resid 11 and name hn ) 1.8 0 3.2 assign (segid B and resid 9 and name ha ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 10 and name ha ) (segid B and resid 13 and name hn ) 1.8 0 3.2 assign (segid B and resid 11 and name ha ) (segid B and resid 14 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name ha ) (segid B and resid 15 and name hn ) 1.8 0 3.2 assign (segid B and resid 13 and name ha ) (segid B and resid 16 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name ha ) (segid B and resid 17 and name hn ) 1.8 0 3.2 assign (segid B and resid 15 and name ha ) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 16 and name ha ) (segid B and resid 19 and name hn ) 1.8 0 3.2 assign (segid B and resid 17 and name ha ) (segid B and resid 20 and name hn ) 1.8 0 3.2 assign (segid B and resid 18 and name ha ) (segid B and resid 21 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-NHi+4)............................. assign (segid B and resid 5 and name ha ) (segid B and resid 9 and name hn ) 1.8 0 3.2 assign (segid B and resid 6 and name ha ) (segid B and resid 10 and name hn ) 1.8 0 3.2 assign (segid B and resid 8 and name ha ) (segid B and resid 12 and name hn ) 1.8 0 3.2 assign (segid B and resid 10 and name ha ) (segid B and resid 14 and name hn ) 1.8 0 3.2 assign (segid B and resid 11 and name ha ) (segid B and resid 15 and name hn ) 1.8 0 3.2 assign (segid B and resid 12 and name ha ) (segid B and resid 16 and name hn ) 1.8 0 3.2 assign (segid B and resid 13 and name ha ) (segid B and resid 17 and name hn ) 1.8 0 3.2 assign (segid B and resid 14 and name ha ) (segid B and resid 18 and name hn ) 1.8 0 3.2 assign (segid B and resid 15 and name ha ) (segid B and resid 19 and name hn ) 1.8 0 3.2 assign (segid B and resid 16 and name ha ) (segid B and resid 20 and name hn ) 1.8 0 3.2 assign (segid B and resid 17 and name ha ) (segid B and resid 21 and name hn ) 1.8 0 3.2 !.............................Helix 1 (Ha-Hbi+3)............................. assign (segid B and resid 7 and name hb* ) (segid B and resid 4 and name ha ) 1.8 0 2.0 assign (segid B and resid 8 and name hb ) (segid B and resid 5 and name ha ) 1.8 0 1.5 assign (segid B and resid 9 and name hb* ) (segid B and resid 6 and name ha ) 1.8 0 2.5 assign (segid B and resid 10 and name hb ) (segid B and resid 7 and name ha ) 1.8 0 1.5 assign (segid B and resid 11 and name hb ) (segid B and resid 8 and name ha ) 1.8 0 1.5 assign (segid B and resid 12 and name hb1 ) (segid B and resid 9 and name ha ) 1.8 0 1.5 assign (segid B and resid 12 and name hb2 ) (segid B and resid 9 and name ha ) 1.8 0 1.5 assign (segid B and resid 13 and name hb* ) (segid B and resid 10 and name ha ) 1.8 0 2.0 assign (segid B and resid 14 and name hb1 ) (segid B and resid 11 and name ha ) 1.8 0 1.5 assign (segid B and resid 14 and name hb2 ) (segid B and resid 11 and name ha ) 1.8 0 1.5 assign (segid B and resid 15 and name hb ) (segid B and resid 12 and name ha ) 1.8 0 1.5 assign (segid B and resid 16 and name hb* ) (segid B and resid 13 and name ha ) 1.8 0 2.5 assign (segid B and resid 17 and name hb* ) (segid B and resid 14 and name ha ) 1.8 0 2.5 assign (segid B and resid 18 and name hb1 ) (segid B and resid 15 and name ha ) 1.8 0 1.5 assign (segid B and resid 18 and name hb2 ) (segid B and resid 15 and name ha ) 1.8 0 1.5 assign (segid B and resid 19 and name hb1 ) (segid B and resid 16 and name ha ) 1.8 0 1.5 assign (segid B and resid 19 and name hb2 ) (segid B and resid 16 and name ha ) 1.8 0 1.5 assign (segid B and resid 20 and name hb* ) (segid B and resid 17 and name ha ) 1.8 0 2.5 !.............................Helix 2............................... !Asp22 assign (segid B and resid 22 and name ha ) (segid B and resid 22 and name hn ) 1.8 0 1.5 assign (segid B and resid 22 and name hb1 ) (segid B and resid 22 and name hn ) 1.8 0 1.0 assign (segid B and resid 22 and name hb2 ) (segid B and resid 22 and name hn ) 1.8 0 1.5 assign (segid B and resid 22 and name hb1 ) (segid B and resid 22 and name ha ) 1.8 0 1.0 assign (segid B and resid 22 and name hb2 ) (segid B and resid 22 and name ha ) 1.8 0 1.0 assign (segid B and resid 21 and name hn ) (segid B and resid 22 and name hn ) 1.8 0 1.0 assign (segid B and resid 21 and name ha1 ) (segid B and resid 22 and name hn ) 1.8 0 3.2 assign (segid B and resid 21 and name ha2 ) (segid B and resid 22 and name hn ) 1.8 0 1.5 assign (segid B and resid 20 and name ha ) (segid B and resid 22 and name hn ) 1.8 0 3.2 assign (segid B and resid 20 and name hb* ) (segid B and resid 22 and name hn ) 1.8 0 2.5 assign (segid B and resid 20 and name hb* ) (segid B and resid 22 and name hb1 ) 1.8 0 2.5 assign (segid B and resid 20 and name hb* ) (segid B and resid 22 and name hb2 ) 1.8 0 4.2 !Leu23 assign (segid B and resid 23 and name hb1 ) (segid B and resid 23 and name hn ) 1.8 0 1.5 assign (segid B and resid 23 and name hb2 ) (segid B and resid 23 and name hn ) 1.8 0 3.2 assign (segid B and resid 23 and name hg ) (segid B and resid 23 and name hn ) 1.8 0 3.2 assign (segid B and resid 23 and name hd1*) (segid B and resid 23 and name hn ) 1.8 0 2.5 assign (segid B and resid 23 and name hd2*) (segid B and resid 23 and name hn ) 1.8 0 4.2 assign (segid B and resid 23 and name hb1 ) (segid B and resid 23 and name ha ) 1.8 0 3.2 assign (segid B and resid 23 and name hb2 ) (segid B and resid 23 and name ha ) 1.8 0 3.2 assign (segid B and resid 23 and name hg ) (segid B and resid 23 and name ha ) 1.8 0 1.5 assign (segid B and resid 23 and name hd1*) (segid B and resid 23 and name ha ) 1.8 0 2.0 assign (segid B and resid 23 and name hd2*) (segid B and resid 23 and name ha ) 1.8 0 4.2 assign (segid B and resid 22 and name ha ) (segid B and resid 23 and name hn ) 1.8 0 1.0 assign (segid B and resid 22 and name hb1 ) (segid B and resid 23 and name hn ) 1.8 0 3.2 assign (segid B and resid 22 and name hb2 ) (segid B and resid 23 and name hn ) 1.8 0 3.2 !Asp24 assign (segid B and resid 24 and name hb* ) (segid B and resid 24 and name hn ) 1.8 0 2.0 assign (segid B and resid 24 and name hb* ) (segid B and resid 24 and name ha ) 1.8 0 3.2 assign (segid B and resid 23 and name ha ) (segid B and resid 24 and name hn ) 1.8 0 3.2 assign (segid B and resid 23 and name hb2 ) (segid B and resid 24 and name hn ) 1.8 0 1.5 assign (segid B and resid 23 and name hb1 ) (segid B and resid 24 and name hn ) 1.8 0 3.2 assign (segid B and resid 23 and name hd2*) (segid B and resid 24 and name hn ) 1.8 0 4.2 assign (segid B and resid 22 and name ha ) (segid B and resid 24 and name hn ) 1.8 0 3.2 !Gly25 assign (segid B and resid 25 and name ha1 ) (segid B and resid 25 and name hn ) 1.8 0 1.0 assign (segid B and resid 25 and name ha2 ) (segid B and resid 25 and name hn ) 1.8 0 1.0 assign (segid B and resid 24 and name ha ) (segid B and resid 25 and name hn ) 1.8 0 3.2 assign (segid B and resid 24 and name hb* ) (segid B and resid 25 and name hn ) 1.8 0 2.5 !Ile26 assign (segid B and resid 26 and name hb ) (segid B and resid 26 and name hn ) 1.8 0 1.5 assign (segid B and resid 26 and name hg11) (segid B and resid 26 and name hn ) 1.8 0 1.5 assign (segid B and resid 26 and name hg12) (segid B and resid 26 and name hn ) 1.8 0 1.5 assign (segid B and resid 26 and name hg2*) (segid B and resid 26 and name hn ) 1.8 0 4.2 assign (segid B and resid 26 and name hd* ) (segid B and resid 26 and name hn ) 1.8 0 2.5 assign (segid B and resid 26 and name hb ) (segid B and resid 26 and name ha ) 1.8 0 3.2 assign (segid B and resid 26 and name hg11) (segid B and resid 26 and name ha ) 1.8 0 1.5 assign (segid B and resid 26 and name hg12) (segid B and resid 26 and name ha ) 1.8 0 1.5 assign (segid B and resid 26 and name hg2*) (segid B and resid 26 and name ha ) 1.8 0 2.0 assign (segid B and resid 26 and name hd* ) (segid B and resid 26 and name ha ) 1.8 0 2.5 assign (segid B and resid 25 and name ha1 ) (segid B and resid 26 and name hn ) 1.8 0 3.2 assign (segid B and resid 25 and name ha2 ) (segid B and resid 26 and name hn ) 1.8 0 1.5 assign (segid B and resid 23 and name hn ) (segid B and resid 26 and name hd* ) 1.8 0 4.2 assign (segid B and resid 23 and name ha ) (segid B and resid 26 and name hd* ) 1.8 0 4.2 assign (segid B and resid 23 and name hd1*) (segid B and resid 26 and name hd* ) 1.8 0 3.5 assign (segid B and resid 23 and name hb1 ) (segid B and resid 26 and name hd* ) 1.8 0 4.2 !Val27 assign (segid B and resid 27 and name hb ) (segid B and resid 27 and name hn ) 1.8 0 1.0 assign (segid B and resid 27 and name hg1*) (segid B and resid 27 and name hn ) 1.8 0 2.5 assign (segid B and resid 27 and name hg2*) (segid B and resid 27 and name hn ) 1.8 0 4.2 assign (segid B and resid 27 and name hg1*) (segid B and resid 27 and name ha ) 1.8 0 2.0 assign (segid B and resid 27 and name hg2*) (segid B and resid 27 and name ha ) 1.8 0 2.0 assign (segid B and resid 27 and name hb ) (segid B and resid 27 and name ha ) 1.8 0 3.2 assign (segid B and resid 26 and name hg2*) (segid B and resid 27 and name ha ) 1.8 0 4.2 assign (segid B and resid 26 and name ha ) (segid B and resid 27 and name hn ) 1.8 0 3.2 assign (segid B and resid 26 and name hg2*) (segid B and resid 27 and name hn ) 1.8 0 2.5 assign (segid B and resid 26 and name hd* ) (segid B and resid 27 and name hn ) 1.8 0 4.2 assign (segid B and resid 26 and name hb ) (segid B and resid 27 and name hn ) 1.8 0 1.0 assign (segid B and resid 26 and name hg2*) (segid B and resid 27 and name hg2*) 1.8 0 3.5 assign (segid B and resid 24 and name ha ) (segid B and resid 27 and name hg* ) 1.8 0 3.7 !Ala28 assign (segid B and resid 28 and name hb* ) (segid B and resid 28 and name hn ) 1.8 0 2.0 assign (segid B and resid 28 and name hb* ) (segid B and resid 28 and name ha ) 1.8 0 2.0 assign (segid B and resid 27 and name ha ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 27 and name hb ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 27 and name hg1*) (segid B and resid 28 and name ha ) 1.8 0 4.2 assign (segid B and resid 27 and name hg1*) (segid B and resid 28 and name hn ) 1.8 0 2.5 !Leu29 assign (segid B and resid 29 and name hb1 ) (segid B and resid 29 and name hn ) 1.8 0 1.5 assign (segid B and resid 29 and name hb2 ) (segid B and resid 29 and name hn ) 1.8 0 1.5 assign (segid B and resid 29 and name hg ) (segid B and resid 29 and name hn ) 1.8 0 3.2 assign (segid B and resid 29 and name hd1*) (segid B and resid 29 and name hn ) 1.8 0 2.5 assign (segid B and resid 29 and name hd2*) (segid B and resid 29 and name hn ) 1.8 0 4.2 assign (segid B and resid 29 and name hd2*) (segid B and resid 29 and name ha ) 1.8 0 2.5 assign (segid B and resid 29 and name hd1*) (segid B and resid 29 and name ha ) 1.8 0 2.0 assign (segid B and resid 29 and name hb2 ) (segid B and resid 29 and name ha ) 1.8 0 3.2 assign (segid B and resid 29 and name hb1 ) (segid B and resid 29 and name ha ) 1.8 0 3.2 assign (segid B and resid 29 and name hg ) (segid B and resid 29 and name ha ) 1.8 0 1.0 assign (segid B and resid 28 and name ha ) (segid B and resid 29 and name hn ) 1.8 0 3.2 assign (segid B and resid 28 and name hb* ) (segid B and resid 29 and name hn ) 1.8 0 2.5 assign (segid B and resid 28 and name hb* ) (segid B and resid 29 and name ha ) 1.8 0 4.2 !Phe30 assign (segid B and resid 30 and name ha ) (segid B and resid 30 and name hn ) 1.8 0 3.2 assign (segid B and resid 30 and name hb1 ) (segid B and resid 30 and name hn ) 1.8 0 1.5 assign (segid B and resid 30 and name hb2 ) (segid B and resid 30 and name hn ) 1.8 0 1.5 assign (segid B and resid 30 and name hd* ) (segid B and resid 30 and name hn ) 1.8 0 3.6 assign (segid B and resid 30 and name he* ) (segid B and resid 30 and name hn ) 1.8 0 5.3 assign (segid B and resid 30 and name hb1 ) (segid B and resid 30 and name ha ) 1.8 0 3.2 assign (segid B and resid 30 and name hb2 ) (segid B and resid 30 and name ha ) 1.8 0 3.2 assign (segid B and resid 30 and name hd* ) (segid B and resid 30 and name ha ) 1.8 0 5.3 assign (segid B and resid 29 and name ha ) (segid B and resid 30 and name hn ) 1.8 0 3.2 assign (segid B and resid 29 and name hg ) (segid B and resid 30 and name hn ) 1.8 0 3.2 assign (segid B and resid 29 and name hb1 ) (segid B and resid 30 and name hn ) 1.8 0 3.2 assign (segid B and resid 29 and name hb2 ) (segid B and resid 30 and name hn ) 1.8 0 3.2 assign (segid B and resid 29 and name hd2*) (segid B and resid 30 and name hn ) 1.8 0 4.2 assign (segid B and resid 27 and name ha ) (segid B and resid 30 and name hd* ) 1.8 0 3.1 assign (segid B and resid 27 and name hg2*) (segid B and resid 30 and name hd* ) 1.8 0 5.3 !Ala31 assign (segid B and resid 31 and name ha ) (segid B and resid 31 and name hn ) 1.8 0 1.5 assign (segid B and resid 31 and name hb* ) (segid B and resid 31 and name hn ) 1.8 0 2.0 assign (segid B and resid 31 and name hb* ) (segid B and resid 31 and name ha ) 1.8 0 2.0 assign (segid B and resid 30 and name hn ) (segid B and resid 31 and name hn ) 1.8 0 3.2 assign (segid B and resid 30 and name ha ) (segid B and resid 31 and name hn ) 1.8 0 1.0 assign (segid B and resid 30 and name hb2 ) (segid B and resid 31 and name hn ) 1.8 0 3.2 !Asp32 assign (segid B and resid 32 and name ha ) (segid B and resid 32 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name hb1 ) (segid B and resid 32 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name hb2 ) (segid B and resid 32 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name hb1 ) (segid B and resid 32 and name ha ) 1.8 0 1.0 assign (segid B and resid 32 and name hb2 ) (segid B and resid 32 and name ha ) 1.8 0 1.0 assign (segid B and resid 31 and name ha ) (segid B and resid 32 and name hn ) 1.8 0 1.0 assign (segid B and resid 31 and name hb* ) (segid B and resid 32 and name hn ) 1.8 0 2.0 !Asp33 assign (segid B and resid 33 and name ha ) (segid B and resid 33 and name hn ) 1.8 0 1.0 assign (segid B and resid 33 and name hb1 ) (segid B and resid 33 and name hn ) 1.8 0 3.2 assign (segid B and resid 33 and name hb2 ) (segid B and resid 33 and name hn ) 1.8 0 3.2 assign (segid B and resid 33 and name hb1 ) (segid B and resid 33 and name ha ) 1.8 0 1.0 assign (segid B and resid 33 and name hb2 ) (segid B and resid 33 and name ha ) 1.8 0 1.0 assign (segid B and resid 32 and name hn ) (segid B and resid 33 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name ha ) (segid B and resid 33 and name hn ) 1.8 0 1.5 assign (segid B and resid 32 and name hb1 ) (segid B and resid 33 and name hn ) 1.8 0 1.5 assign (segid B and resid 32 and name hb2 ) (segid B and resid 33 and name hn ) 1.8 0 1.5 assign (segid B and resid 31 and name ha ) (segid B and resid 33 and name hn ) 1.8 0 3.2 assign (segid B and resid 32 and name hb* ) (segid B and resid 33 and name hn ) 1.8 0 2.5 !.............................Hbonds for alpha-Helix 2 (Leu23-Phe30) (new) assign (segid B and resid 26 and name n ) (segid B and resid 22 and name o ) 2.5 0 3.5 assign (segid B and resid 26 and name hn ) (segid B and resid 22 and name o ) 1.5 0 2.5 assign (segid B and resid 27 and name n ) (segid B and resid 23 and name o ) 2.5 0 3.5 assign (segid B and resid 27 and name hn ) (segid B and resid 23 and name o ) 1.5 0 2.5 assign (segid B and resid 28 and name n ) (segid B and resid 24 and name o ) 2.5 0 3.5 assign (segid B and resid 28 and name hn ) (segid B and resid 24 and name o ) 1.5 0 2.5 assign (segid B and resid 29 and name n ) (segid B and resid 25 and name o ) 2.5 0 3.5 assign (segid B and resid 29 and name hn ) (segid B and resid 25 and name o ) 1.5 0 2.5 assign (segid B and resid 30 and name n ) (segid B and resid 26 and name o ) 2.5 0 3.5 assign (segid B and resid 30 and name hn ) (segid B and resid 26 and name o ) 1.5 0 2.5 !.............................Helix 2 (NH-NHi+1)............................. assign (segid B and resid 22 and name hn ) (segid B and resid 23 and name hn ) 1.8 0 3.2 assign (segid B and resid 23 and name hn ) (segid B and resid 24 and name hn ) 1.8 0 1.0 assign (segid B and resid 24 and name hn ) (segid B and resid 25 and name hn ) 1.8 0 1.0 assign (segid B and resid 25 and name hn ) (segid B and resid 26 and name hn ) 1.8 0 1.0 assign (segid B and resid 26 and name hn ) (segid B and resid 27 and name hn ) 1.8 0 1.0 assign (segid B and resid 27 and name hn ) (segid B and resid 28 and name hn ) 1.8 0 1.0 assign (segid B and resid 28 and name hn ) (segid B and resid 29 and name hn ) 1.8 0 1.0 assign (segid B and resid 29 and name hn ) (segid B and resid 30 and name hn ) 1.8 0 1.0 !.............................Helix 2 (NH-NHi+2)............................. assign (segid B and resid 23 and name hn ) (segid B and resid 25 and name hn ) 1.8 0 3.2 assign (segid B and resid 24 and name hn ) (segid B and resid 26 and name hn ) 1.8 0 3.2 assign (segid B and resid 25 and name hn ) (segid B and resid 27 and name hn ) 1.8 0 3.2 assign (segid B and resid 26 and name hn ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 27 and name hn ) (segid B and resid 29 and name hn ) 1.8 0 3.2 !.............................Helix 2 (NH-NHi+3)............................. assign (segid B and resid 24 and name hn ) (segid B and resid 27 and name hn ) 1.8 0 3.2 assign (segid B and resid 25 and name hn ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 26 and name hn ) (segid B and resid 29 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-NHi+3)............................. assign (segid B and resid 23 and name ha ) (segid B and resid 26 and name hn ) 1.8 0 3.2 assign (segid B and resid 24 and name ha ) (segid B and resid 27 and name hn ) 1.8 0 3.2 assign (segid B and resid 25 and name ha1 ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 26 and name ha ) (segid B and resid 29 and name hn ) 1.8 0 3.2 assign (segid B and resid 27 and name ha ) (segid B and resid 30 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-NHi+4)............................. assign (segid B and resid 23 and name ha ) (segid B and resid 27 and name hn ) 1.8 0 3.2 assign (segid B and resid 24 and name ha ) (segid B and resid 28 and name hn ) 1.8 0 3.2 assign (segid B and resid 26 and name ha ) (segid B and resid 30 and name hn ) 1.8 0 3.2 !.............................Helix 2 (Ha-Hbi+3)............................. assign (segid B and resid 26 and name hb ) (segid B and resid 23 and name ha ) 1.8 0 1.5 assign (segid B and resid 27 and name hb ) (segid B and resid 24 and name ha ) 1.8 0 1.5 assign (segid B and resid 28 and name hb* ) (segid B and resid 25 and name ha1 ) 1.8 0 2.5 assign (segid B and resid 29 and name hb1 ) (segid B and resid 26 and name ha ) 1.8 0 1.5 assign (segid B and resid 29 and name hb2 ) (segid B and resid 26 and name ha ) 1.8 0 1.5 assign (segid B and resid 30 and name hb1 ) (segid B and resid 27 and name ha ) 1.8 0 1.5 assign (segid B and resid 30 and name hb2 ) (segid B and resid 27 and name ha ) 1.8 0 1.5 !....................................Helix III.................................. !Thr48 assign (segid B and resid 48 and name hb ) (segid B and resid 48 and name hn ) 1.8 0 1.0 assign (segid B and resid 48 and name ha ) (segid B and resid 48 and name hn ) 1.8 0 1.5 assign (segid B and resid 48 and name hg2*) (segid B and resid 48 and name hn ) 1.8 0 2.5 assign (segid B and resid 48 and name hb ) (segid B and resid 48 and name ha ) 1.8 0 1.5 assign (segid B and resid 48 and name hg2*) (segid B and resid 48 and name ha ) 1.8 0 2.0 assign (segid B and resid 47 and name hn ) (segid B and resid 48 and name hn ) 1.8 0 3.2 assign (segid B and resid 47 and name ha1 ) (segid B and resid 48 and name hn ) 1.8 0 1.0 assign (segid B and resid 47 and name ha2 ) (segid B and resid 48 and name hn ) 1.8 0 1.0 !Ala49 assign (segid B and resid 49 and name hb* ) (segid B and resid 49 and name hn ) 1.8 0 2.0 assign (segid B and resid 49 and name hb* ) (segid B and resid 49 and name ha ) 1.8 0 2.0 assign (segid B and resid 48 and name hb ) (segid B and resid 49 and name hn ) 1.8 0 1.5 assign (segid B and resid 48 and name ha ) (segid B and resid 49 and name hn ) 1.8 0 3.2 assign (segid B and resid 48 and name hg2*) (segid B and resid 49 and name hn ) 1.8 0 2.5 assign (segid B and resid 48 and name hg2*) (segid B and resid 49 and name ha ) 1.8 0 2.5 !Ala50 assign (segid B and resid 50 and name hb* ) (segid B and resid 50 and name hn ) 1.8 0 2.0 assign (segid B and resid 50 and name hb* ) (segid B and resid 50 and name ha ) 1.8 0 2.0 assign (segid B and resid 49 and name ha ) (segid B and resid 50 and name hn ) 1.8 0 3.2 assign (segid B and resid 49 and name hb* ) (segid B and resid 50 and name hn ) 1.8 0 2.0 assign (segid B and resid 49 and name hb* ) (segid B and resid 50 and name ha ) 1.8 0 3.2 assign (segid B and resid 46 and name hn ) (segid B and resid 50 and name hb* ) 1.8 0 2.0 !Ile51 assign (segid B and resid 51 and name hg11) (segid B and resid 51 and name hn ) 1.8 0 3.2 assign (segid B and resid 51 and name hg12) (segid B and resid 51 and name hn ) 1.8 0 1.5 assign (segid B and resid 51 and name hg2*) (segid B and resid 51 and name hn ) 1.8 0 4.2 assign (segid B and resid 51 and name hd* ) (segid B and resid 51 and name hn ) 1.8 0 2.5 assign (segid B and resid 51 and name hb ) (segid B and resid 51 and name hn ) 1.8 0 1.0 assign (segid B and resid 51 and name hb ) (segid B and resid 51 and name ha ) 1.8 0 3.2 assign (segid B and resid 51 and name hg11) (segid B and resid 51 and name ha ) 1.8 0 1.5 assign (segid B and resid 51 and name hg12) (segid B and resid 51 and name ha ) 1.8 0 1.5 assign (segid B and resid 51 and name hg2*) (segid B and resid 51 and name ha ) 1.8 0 2.0 assign (segid B and resid 51 and name hd* ) (segid B and resid 51 and name ha ) 1.8 0 4.2 assign (segid B and resid 48 and name ha ) (segid B and resid 51 and name hd* ) 1.8 0 4.2 assign (segid B and resid 48 and name ha ) (segid B and resid 51 and name hg12) 1.8 0 3.2 assign (segid B and resid 48 and name ha ) (segid B and resid 51 and name hg2*) 1.8 0 3.2 assign (segid B and resid 50 and name ha ) (segid B and resid 51 and name hn ) 1.8 0 3.2 assign (segid B and resid 50 and name hb* ) (segid B and resid 51 and name hn ) 1.8 0 2.0 !Arg52 assign (segid B and resid 52 and name hb1 ) (segid B and resid 52 and name hn ) 1.8 0 1.0 assign (segid B and resid 52 and name hb2 ) (segid B and resid 52 and name hn ) 1.8 0 1.0 assign (segid B and resid 52 and name hb1 ) (segid B and resid 52 and name ha ) 1.8 0 3.2 assign (segid B and resid 52 and name hb2 ) (segid B and resid 52 and name ha ) 1.8 0 3.2 assign (segid B and resid 52 and name hg1 ) (segid B and resid 52 and name ha ) 1.8 0 1.0 assign (segid B and resid 52 and name hg2 ) (segid B and resid 52 and name ha ) 1.8 0 1.0 assign (segid B and resid 51 and name ha ) (segid B and resid 52 and name hn ) 1.8 0 3.2 assign (segid B and resid 51 and name hb ) (segid B and resid 52 and name hn ) 1.8 0 1.0 assign (segid B and resid 51 and name hg2*) (segid B and resid 52 and name hn ) 1.8 0 2.5 !Glu53 assign (segid B and resid 53 and name hg2 ) (segid B and resid 53 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name hb* ) (segid B and resid 53 and name hn ) 1.8 0 1.5 assign (segid B and resid 53 and name hb* ) (segid B and resid 53 and name ha ) 1.8 0 3.7 assign (segid B and resid 53 and name hg1 ) (segid B and resid 53 and name ha ) 1.8 0 1.0 assign (segid B and resid 53 and name hg2 ) (segid B and resid 53 and name ha ) 1.8 0 1.0 assign (segid B and resid 52 and name ha ) (segid B and resid 53 and name hn ) 1.8 0 3.2 assign (segid B and resid 52 and name hb* ) (segid B and resid 53 and name hn ) 1.8 0 3.7 assign (segid B and resid 52 and name hg* ) (segid B and resid 53 and name hn ) 1.8 0 3.7 !Phe54 assign (segid B and resid 54 and name hb2 ) (segid B and resid 54 and name hn ) 1.8 0 1.0 assign (segid B and resid 54 and name hb1 ) (segid B and resid 54 and name hn ) 1.8 0 1.0 assign (segid B and resid 54 and name hd* ) (segid B and resid 54 and name hn ) 1.8 0 3.9 assign (segid B and resid 54 and name hb1 ) (segid B and resid 54 and name ha ) 1.8 0 3.2 assign (segid B and resid 54 and name hb2 ) (segid B and resid 54 and name ha ) 1.8 0 3.2 assign (segid B and resid 54 and name hd* ) (segid B and resid 54 and name ha ) 1.8 0 3.1 assign (segid B and resid 53 and name ha ) (segid B and resid 54 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name hg1 ) (segid B and resid 54 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name hg2 ) (segid B and resid 54 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name hb* ) (segid B and resid 54 and name hn ) 1.8 0 2.0 !Phe55 assign (segid B and resid 55 and name hb* ) (segid B and resid 55 and name hn ) 1.8 0 2.5 assign (segid B and resid 55 and name hd* ) (segid B and resid 55 and name hn ) 1.8 0 3.9 assign (segid B and resid 55 and name hd* ) (segid B and resid 55 and name ha ) 1.8 0 3.0 assign (segid B and resid 55 and name hb* ) (segid B and resid 55 and name ha ) 1.8 0 3.7 assign (segid B and resid 55 and name hd* ) (segid B and resid 55 and name hb1 ) 1.8 0 3.1 assign (segid B and resid 55 and name hd* ) (segid B and resid 55 and name hb2 ) 1.8 0 3.1 assign (segid B and resid 54 and name ha ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name hb2 ) (segid B and resid 55 and name hn ) 1.8 0 1.0 assign (segid B and resid 54 and name hb1 ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name hd* ) (segid B and resid 55 and name hn ) 1.8 0 3.9 !Ala56 assign (segid B and resid 56 and name hb* ) (segid B and resid 56 and name hn ) 1.8 0 2.0 assign (segid B and resid 56 and name hb* ) (segid B and resid 56 and name ha ) 1.8 0 2.0 assign (segid B and resid 55 and name ha ) (segid B and resid 56 and name hn ) 1.8 0 3.2 assign (segid B and resid 55 and name hb* ) (segid B and resid 56 and name hn ) 1.8 0 2.5 assign (segid B and resid 55 and name hd* ) (segid B and resid 56 and name hn ) 1.8 0 5.3 !Asn57 assign (segid B and resid 57 and name hb1 ) (segid B and resid 57 and name hn ) 1.8 0 1.0 assign (segid B and resid 57 and name hb2 ) (segid B and resid 57 and name hn ) 1.8 0 1.0 assign (segid B and resid 57 and name hb1 ) (segid B and resid 57 and name ha ) 1.8 0 3.2 assign (segid B and resid 57 and name hb2 ) (segid B and resid 57 and name ha ) 1.8 0 3.2 assign (segid B and resid 56 and name ha ) (segid B and resid 57 and name hn ) 1.8 0 3.2 assign (segid B and resid 56 and name hb* ) (segid B and resid 57 and name hn ) 1.8 0 2.0 assign (segid B and resid 56 and name hb* ) (segid B and resid 57 and name ha ) 1.8 0 4.2 assign (segid B and resid 60 and name he* ) (segid B and resid 57 and name ha ) 1.8 0 4.2 assign (segid B and resid 60 and name hd* ) (segid B and resid 57 and name ha ) 1.8 0 4.2 !Ser58 assign (segid B and resid 58 and name hb1 ) (segid B and resid 58 and name hn ) 1.8 0 1.0 assign (segid B and resid 58 and name hb2 ) (segid B and resid 58 and name hn ) 1.8 0 1.0 assign (segid B and resid 58 and name hb1 ) (segid B and resid 58 and name ha ) 1.8 0 3.2 assign (segid B and resid 58 and name hb2 ) (segid B and resid 58 and name ha ) 1.8 0 3.2 assign (segid B and resid 57 and name ha ) (segid B and resid 58 and name hn ) 1.8 0 3.2 assign (segid B and resid 57 and name hb* ) (segid B and resid 58 and name hn ) 1.8 0 2.5 !Leu59 assign (segid B and resid 59 and name hb1 ) (segid B and resid 59 and name hn ) 1.8 0 1.0 assign (segid B and resid 59 and name hb2 ) (segid B and resid 59 and name hn ) 1.8 0 1.0 assign (segid B and resid 59 and name hg ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hd1*) (segid B and resid 59 and name hn ) 1.8 0 2.5 assign (segid B and resid 59 and name hd2*) (segid B and resid 59 and name hn ) 1.8 0 4.2 assign (segid B and resid 59 and name hb2 ) (segid B and resid 59 and name ha ) 1.8 0 3.2 assign (segid B and resid 59 and name hb1 ) (segid B and resid 59 and name ha ) 1.8 0 3.2 assign (segid B and resid 59 and name hg ) (segid B and resid 59 and name ha ) 1.8 0 1.5 assign (segid B and resid 59 and name hd1*) (segid B and resid 59 and name ha ) 1.8 0 2.5 assign (segid B and resid 59 and name hd2*) (segid B and resid 59 and name ha ) 1.8 0 4.2 assign (segid B and resid 58 and name ha ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 58 and name hb1 ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 58 and name hb2 ) (segid B and resid 59 and name hn ) 1.8 0 3.2 !Lys60 assign (segid B and resid 60 and name hb* ) (segid B and resid 60 and name hn ) 1.8 0 1.5 assign (segid B and resid 60 and name hg1 ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 60 and name hg2 ) (segid B and resid 60 and name hn ) 1.8 0 1.5 assign (segid B and resid 60 and name hd* ) (segid B and resid 60 and name hn ) 1.8 0 4.2 assign (segid B and resid 60 and name hb* ) (segid B and resid 60 and name ha ) 1.8 0 3.7 assign (segid B and resid 60 and name hg1 ) (segid B and resid 60 and name ha ) 1.8 0 1.5 assign (segid B and resid 60 and name hg2 ) (segid B and resid 60 and name ha ) 1.8 0 1.5 assign (segid B and resid 59 and name ha ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hg ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hb1 ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hb2 ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hd2*) (segid B and resid 60 and name hn ) 1.8 0 4.2 !Leu61 assign (segid B and resid 61 and name hb1 ) (segid B and resid 61 and name hn ) 1.8 0 1.0 assign (segid B and resid 61 and name hb2 ) (segid B and resid 61 and name hn ) 1.8 0 1.5 assign (segid B and resid 61 and name hg ) (segid B and resid 61 and name hn ) 1.8 0 3.2 assign (segid B and resid 61 and name hd1*) (segid B and resid 61 and name hn ) 1.8 0 4.2 assign (segid B and resid 61 and name hd2*) (segid B and resid 61 and name hn ) 1.8 0 4.2 assign (segid B and resid 61 and name hb1 ) (segid B and resid 61 and name ha ) 1.8 0 1.5 assign (segid B and resid 61 and name hb2 ) (segid B and resid 61 and name ha ) 1.8 0 3.2 assign (segid B and resid 61 and name hg ) (segid B and resid 61 and name ha ) 1.8 0 3.2 assign (segid B and resid 61 and name hd1*) (segid B and resid 61 and name ha ) 1.8 0 2.5 assign (segid B and resid 61 and name hd2*) (segid B and resid 61 and name ha ) 1.8 0 4.2 assign (segid B and resid 59 and name ha ) (segid B and resid 61 and name hn ) 1.8 0 3.2 assign (segid B and resid 60 and name ha ) (segid B and resid 61 and name hn ) 1.8 0 3.2 assign (segid B and resid 60 and name hb* ) (segid B and resid 61 and name hn ) 1.8 0 4.2 assign (segid B and resid 60 and name hg1 ) (segid B and resid 61 and name hn ) 1.8 0 3.2 !Pro62 assign (segid B and resid 62 and name hd2 ) (segid B and resid 62 and name ha ) 1.8 0 3.2 assign (segid B and resid 62 and name hd1 ) (segid B and resid 62 and name ha ) 1.8 0 3.2 assign (segid B and resid 62 and name hb1 ) (segid B and resid 62 and name ha ) 1.8 0 1.0 assign (segid B and resid 62 and name hb2 ) (segid B and resid 62 and name ha ) 1.8 0 1.0 assign (segid B and resid 61 and name hn ) (segid B and resid 62 and name hd1 ) 1.8 0 3.2 assign (segid B and resid 61 and name hn ) (segid B and resid 62 and name hd2 ) 1.8 0 3.2 assign (segid B and resid 61 and name ha ) (segid B and resid 62 and name hd1 ) 1.8 0 1.0 assign (segid B and resid 61 and name ha ) (segid B and resid 62 and name hd2 ) 1.8 0 1.0 assign (segid B and resid 61 and name ha ) (segid B and resid 62 and name hg1 ) 1.8 0 3.2 assign (segid B and resid 61 and name ha ) (segid B and resid 62 and name hg2 ) 1.8 0 3.2 !.............................Hbonds for Helix 3 (Thr48-Leu61)............................. assign (segid B and resid 51 and name n ) (segid B and resid 47 and name o ) 2.5 0 3.5 assign (segid B and resid 51 and name hn ) (segid B and resid 47 and name o ) 1.5 0 2.5 assign (segid B and resid 52 and name n ) (segid B and resid 48 and name o ) 2.5 0 3.5 assign (segid B and resid 52 and name hn ) (segid B and resid 48 and name o ) 1.5 0 2.5 assign (segid B and resid 53 and name n ) (segid B and resid 49 and name o ) 2.5 0 3.5 assign (segid B and resid 53 and name hn ) (segid B and resid 49 and name o ) 1.5 0 2.5 assign (segid B and resid 54 and name n ) (segid B and resid 50 and name o ) 2.5 0 3.5 assign (segid B and resid 54 and name hn ) (segid B and resid 50 and name o ) 1.5 0 2.5 assign (segid B and resid 55 and name n ) (segid B and resid 51 and name o ) 2.5 0 3.5 assign (segid B and resid 55 and name hn ) (segid B and resid 51 and name o ) 1.5 0 2.5 assign (segid B and resid 56 and name n ) (segid B and resid 52 and name o ) 2.5 0 3.5 assign (segid B and resid 56 and name hn ) (segid B and resid 52 and name o ) 1.5 0 2.5 assign (segid B and resid 57 and name n ) (segid B and resid 53 and name o ) 2.5 0 3.5 assign (segid B and resid 57 and name hn ) (segid B and resid 53 and name o ) 1.5 0 2.5 assign (segid B and resid 58 and name n ) (segid B and resid 54 and name o ) 2.5 0 3.5 assign (segid B and resid 58 and name hn ) (segid B and resid 54 and name o ) 1.5 0 2.5 assign (segid B and resid 59 and name n ) (segid B and resid 55 and name o ) 2.5 0 3.5 assign (segid B and resid 59 and name hn ) (segid B and resid 55 and name o ) 1.5 0 2.5 assign (segid B and resid 60 and name n ) (segid B and resid 56 and name o ) 2.5 0 3.5 assign (segid B and resid 60 and name hn ) (segid B and resid 56 and name o ) 1.5 0 2.5 assign (segid B and resid 61 and name n ) (segid B and resid 57 and name o ) 2.5 0 3.5 assign (segid B and resid 61 and name hn ) (segid B and resid 57 and name o ) 1.5 0 2.5 !.............................Helix 3 (NH-NHi+1)............................. assign (segid B and resid 48 and name hn ) (segid B and resid 49 and name hn ) 1.8 0 3.2 assign (segid B and resid 49 and name hn ) (segid B and resid 50 and name hn ) 1.8 0 1.0 assign (segid B and resid 50 and name hn ) (segid B and resid 51 and name hn ) 1.8 0 1.0 assign (segid B and resid 51 and name hn ) (segid B and resid 52 and name hn ) 1.8 0 1.0 assign (segid B and resid 52 and name hn ) (segid B and resid 53 and name hn ) 1.8 0 1.0 assign (segid B and resid 53 and name hn ) (segid B and resid 54 and name hn ) 1.8 0 1.0 assign (segid B and resid 54 and name hn ) (segid B and resid 55 and name hn ) 1.8 0 1.0 assign (segid B and resid 55 and name hn ) (segid B and resid 56 and name hn ) 1.8 0 1.0 assign (segid B and resid 56 and name hn ) (segid B and resid 57 and name hn ) 1.8 0 1.0 assign (segid B and resid 57 and name hn ) (segid B and resid 58 and name hn ) 1.8 0 1.0 assign (segid B and resid 58 and name hn ) (segid B and resid 59 and name hn ) 1.8 0 1.0 assign (segid B and resid 59 and name hn ) (segid B and resid 60 and name hn ) 1.8 0 1.0 assign (segid B and resid 60 and name hn ) (segid B and resid 61 and name hn ) 1.8 0 1.0 !.............................Helix 3 (NH-NHi+2)............................. assign (segid B and resid 48 and name hn ) (segid B and resid 50 and name hn ) 1.8 0 3.2 assign (segid B and resid 50 and name hn ) (segid B and resid 52 and name hn ) 1.8 0 3.2 assign (segid B and resid 51 and name hn ) (segid B and resid 53 and name hn ) 1.8 0 3.2 assign (segid B and resid 52 and name hn ) (segid B and resid 54 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name hn ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name hn ) (segid B and resid 56 and name hn ) 1.8 0 3.2 assign (segid B and resid 55 and name hn ) (segid B and resid 57 and name hn ) 1.8 0 3.2 assign (segid B and resid 56 and name hn ) (segid B and resid 58 and name hn ) 1.8 0 3.2 assign (segid B and resid 57 and name hn ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 58 and name hn ) (segid B and resid 60 and name hn ) 1.8 0 3.2 assign (segid B and resid 59 and name hn ) (segid B and resid 61 and name hn ) 1.8 0 3.2 !.............................Helix 3 (NH-NHi+3)............................. assign (segid B and resid 48 and name hn ) (segid B and resid 51 and name hn ) 1.8 0 3.2 assign (segid B and resid 49 and name hn ) (segid B and resid 52 and name hn ) 1.8 0 3.2 assign (segid B and resid 52 and name hn ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name hn ) (segid B and resid 57 and name hn ) 1.8 0 3.2 assign (segid B and resid 57 and name hn ) (segid B and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-NHi+3)............................. assign (segid B and resid 48 and name ha ) (segid B and resid 51 and name hn ) 1.8 0 3.2 assign (segid B and resid 49 and name ha ) (segid B and resid 52 and name hn ) 1.8 0 3.2 assign (segid B and resid 50 and name ha ) (segid B and resid 53 and name hn ) 1.8 0 3.2 assign (segid B and resid 51 and name ha ) (segid B and resid 54 and name hn ) 1.8 0 3.2 assign (segid B and resid 52 and name ha ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name ha ) (segid B and resid 56 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name ha ) (segid B and resid 57 and name hn ) 1.8 0 3.2 assign (segid B and resid 55 and name ha ) (segid B and resid 58 and name hn ) 1.8 0 3.2 assign (segid B and resid 56 and name ha ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 57 and name ha ) (segid B and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-NHi+4)............................. assign (segid B and resid 48 and name ha ) (segid B and resid 52 and name hn ) 1.8 0 3.2 assign (segid B and resid 49 and name ha ) (segid B and resid 53 and name hn ) 1.8 0 3.2 assign (segid B and resid 51 and name ha ) (segid B and resid 55 and name hn ) 1.8 0 3.2 assign (segid B and resid 53 and name ha ) (segid B and resid 57 and name hn ) 1.8 0 3.2 assign (segid B and resid 54 and name ha ) (segid B and resid 58 and name hn ) 1.8 0 3.2 assign (segid B and resid 55 and name ha ) (segid B and resid 59 and name hn ) 1.8 0 3.2 assign (segid B and resid 56 and name ha ) (segid B and resid 60 and name hn ) 1.8 0 3.2 !.............................Helix 3 (Ha-Hbi+3)............................. assign (segid B and resid 51 and name hb ) (segid B and resid 48 and name ha ) 1.8 0 1.5 assign (segid B and resid 52 and name hb* ) (segid B and resid 49 and name ha ) 1.8 0 2.0 assign (segid B and resid 53 and name hb* ) (segid B and resid 50 and name ha ) 1.8 0 2.0 assign (segid B and resid 54 and name hb1 ) (segid B and resid 51 and name ha ) 1.8 0 1.5 assign (segid B and resid 54 and name hb2 ) (segid B and resid 51 and name ha ) 1.8 0 1.5 assign (segid B and resid 55 and name hb1 ) (segid B and resid 52 and name ha ) 1.8 0 1.5 assign (segid B and resid 55 and name hb2 ) (segid B and resid 52 and name ha ) 1.8 0 1.5 assign (segid B and resid 56 and name hb* ) (segid B and resid 53 and name ha ) 1.8 0 2.5 assign (segid B and resid 57 and name hb1 ) (segid B and resid 54 and name ha ) 1.8 0 1.5 assign (segid B and resid 57 and name hb2 ) (segid B and resid 54 and name ha ) 1.8 0 1.5 assign (segid B and resid 58 and name hb1 ) (segid B and resid 55 and name ha ) 1.8 0 1.5 assign (segid B and resid 58 and name hb2 ) (segid B and resid 55 and name ha ) 1.8 0 1.5 assign (segid B and resid 59 and name hb1 ) (segid B and resid 56 and name ha ) 1.8 0 1.5 assign (segid B and resid 59 and name hb2 ) (segid B and resid 56 and name ha ) 1.8 0 1.5 assign (segid B and resid 60 and name hb* ) (segid B and resid 57 and name ha ) 1.8 0 2.0 !................................LONG RANGE NOES................................ !Helix I assign (segid B and resid 4 and name ha ) (segid B and resid 73 and name hb* ) 1.8 0 2.0 assign (segid B and resid 4 and name hb1 ) (segid B and resid 73 and name hb* ) 1.8 0 2.5 assign (segid B and resid 4 and name hb2 ) (segid B and resid 73 and name hb* ) 1.8 0 2.5 assign (segid B and resid 8 and name hg2* ) (segid B and resid 71 and name hb ) 1.8 0 2.0 assign (segid B and resid 8 and name hg2* ) (segid B and resid 71 and name hg1*) 1.8 0 3.5 assign (segid B and resid 8 and name hg2* ) (segid B and resid 71 and name hg2*) 1.8 0 3.5 assign (segid B and resid 7 and name hb* ) (segid B and resid 73 and name hb* ) 1.8 0 2.5 assign (segid B and resid 7 and name hb* ) (segid B and resid 78 and name hb* ) 1.8 0 4.7 assign (segid B and resid 7 and name ha ) (segid B and resid 103 and name hd*) 1.8 0 3.1 assign (segid B and resid 10 and name hb ) (segid B and resid 103 and name hd*) 1.8 0 5.3 assign (segid B and resid 10 and name hg2*) (segid B and resid 103 and name hd*) 1.8 0 4.1 assign (segid B and resid 10 and name hg1*) (segid B and resid 103 and name hd*) 1.8 0 6.3 assign (segid B and resid 10 and name hg1*) (segid B and resid 103 and name hz ) 1.8 0 2.5 assign (segid B and resid 10 and name hg1*) (segid B and resid 103 and name he*) 1.8 0 6.3 assign (segid B and resid 10 and name hg2*) (segid B and resid 109 and name hg2*) 1.8 0 3.5 assign (segid B and resid 10 and name hg2*) (segid B and resid 109 and name ha ) 1.8 0 2.5 assign (segid B and resid 11 and name hg1*) (segid B and resid 67 and name hd1*) 1.8 0 3.5 assign (segid B and resid 11 and name hb ) (segid B and resid 71 and name hg1*) 1.8 0 4.2 assign (segid B and resid 11 and name hb ) (segid B and resid 71 and name hg2*) 1.8 0 4.2 assign (segid B and resid 11 and name hg1*) (segid B and resid 71 and name hg1*) 1.8 0 3.0 assign (segid B and resid 11 and name hg1*) (segid B and resid 71 and name hg2*) 1.8 0 3.5 assign (segid B and resid 11 and name hg2*) (segid B and resid 71 and name hg1*) 1.8 0 5.2 assign (segid B and resid 11 and name hg2*) (segid B and resid 71 and name hg2*) 1.8 0 5.2 assign (segid B and resid 11 and name hg2*) (segid B and resid 78 and name hb* ) 1.8 0 3.0 assign (segid B and resid 11 and name hg1*) (segid B and resid 80 and name hd* ) 1.8 0 4.6 assign (segid B and resid 11 and name hg2*) (segid B and resid 80 and name hd* ) 1.8 0 6.3 assign (segid B and resid 11 and name hg1*) (segid B and resid 80 and name he* ) 1.8 0 6.3 assign (segid B and resid 11 and name hg2*) (segid B and resid 80 and name he* ) 1.8 0 6.3 assign (segid B and resid 11 and name hg1*) (segid B and resid 101 and name he*) 1.8 0 6.3 assign (segid B and resid 11 and name hg2*) (segid B and resid 101 and name he*) 1.8 0 4.6 assign (segid B and resid 11 and name hg2*) (segid B and resid 101 and name hd*) 1.8 0 4.6 assign (segid B and resid 12 and name ha ) (segid B and resid 67 and name hd1*) 1.8 0 4.2 assign (segid B and resid 14 and name he* ) (segid B and resid 80 and name hz ) 1.8 0 5.3 assign (segid B and resid 14 and name he* ) (segid B and resid 80 and name he* ) 1.8 0 7.4 assign (segid B and resid 14 and name he* ) (segid B and resid 55 and name hz ) 1.8 0 3.6 assign (segid B and resid 14 and name he* ) (segid B and resid 55 and name he* ) 1.8 0 7.4 assign (segid B and resid 14 and name he* ) (segid B and resid 99 and name hb1 ) 2.0 0 4.7 assign (segid B and resid 14 and name he* ) (segid B and resid 99 and name hb2 ) 2.0 0 4.7 assign (segid B and resid 14 and name he* ) (segid B and resid 99 and name ht ) 2.0 0 3.7 assign (segid B and resid 14 and name hh ) (segid B and resid 99 and name ht ) 2.4 0 0.4 assign (segid B and resid 15 and name hg1*) (segid B and resid 65 and name hg1*) 1.8 0 3.5 assign (segid B and resid 15 and name hg2*) (segid B and resid 65 and name hg1*) 1.8 0 3.5 assign (segid B and resid 15 and name hg1*) (segid B and resid 65 and name hb ) 1.8 0 2.5 assign (segid B and resid 15 and name hg1*) (segid B and resid 66 and name ha ) 1.8 0 2.5 assign (segid B and resid 15 and name hg2*) (segid B and resid 67 and name hg ) 1.8 0 2.5 assign (segid B and resid 15 and name hg1*) (segid B and resid 67 and name hg ) 1.8 0 2.5 assign (segid B and resid 15 and name hg2*) (segid B and resid 67 and name hd1*) 1.8 0 3.0 assign (segid B and resid 17 and name hb* ) (segid B and resid 26 and name hd* ) 1.8 0 5.2 assign (segid B and resid 17 and name hb* ) (segid B and resid 26 and name hg11) 1.8 0 2.5 assign (segid B and resid 17 and name hb* ) (segid B and resid 26 and name hg12) 1.8 0 2.5 assign (segid B and resid 18 and name hd2*) (segid B and resid 59 and name hd1*) 1.8 0 3.2 assign (segid B and resid 18 and name ha ) (segid B and resid 59 and name hd1*) 1.8 0 3.5 assign (segid B and resid 18 and name hd1*) (segid B and resid 82 and name he* ) 1.8 0 6.3 assign (segid B and resid 18 and name hd2*) (segid B and resid 82 and name hz* ) 1.8 0 4.2 assign (segid B and resid 18 and name hd1*) (segid B and resid 65 and name hg1*) 1.8 0 3.5 assign (segid B and resid 18 and name hd1*) (segid B and resid 55 and name hd* ) 1.8 0 4.6 assign (segid B and resid 18 and name hd1*) (segid B and resid 55 and name he* ) 1.8 0 4.6 assign (segid B and resid 19 and name ha ) (segid B and resid 64 and name ha ) 1.8 0 3.2 assign (segid B and resid 21 and name ha1 ) (segid B and resid 59 and name hd1*) 1.8 0 2.5 assign (segid B and resid 21 and name ha1 ) (segid B and resid 59 and name hd2*) 1.8 0 2.5 assign (segid B and resid 21 and name ha2 ) (segid B and resid 59 and name hd1*) 1.8 0 2.5 assign (segid B and resid 21 and name ha2 ) (segid B and resid 59 and name hd2*) 1.8 0 2.5 assign (segid B and resid 21 and name hn ) (segid B and resid 59 and name hd1*) 1.8 0 4.2 !Helix II assign (segid B and resid 23 and name ha ) (segid B and resid 59 and name hd2*) 1.8 0 4.2 assign (segid B and resid 23 and name hd1*) (segid B and resid 59 and name hd2*) 1.8 0 3.5 assign (segid B and resid 23 and name hb1*) (segid B and resid 59 and name hd2*) 1.8 0 4.2 assign (segid B and resid 23 and name hd1*) (segid B and resid 55 and name hb1 ) 1.8 0 2.0 assign (segid B and resid 23 and name hd1*) (segid B and resid 55 and name hb2 ) 1.8 0 2.0 assign (segid B and resid 23 and name hd1*) (segid B and resid 55 and name ha ) 1.8 0 2.5 assign (segid B and resid 23 and name hd1*) (segid B and resid 55 and name hd* ) 1.8 0 6.3 assign (segid B and resid 23 and name hd2*) (segid B and resid 56 and name ha ) 1.8 0 2.0 assign (segid B and resid 23 and name hd1*) (segid B and resid 56 and name ha ) 1.8 0 2.5 assign (segid B and resid 23 and name hd1*) (segid B and resid 56 and name hn ) 1.8 0 3.5 assign (segid B and resid 23 and name hd2*) (segid B and resid 56 and name hb* ) 1.8 0 3.0 assign (segid B and resid 26 and name hd* ) (segid B and resid 59 and name hd1*) 1.8 0 3.0 assign (segid B and resid 26 and name hd* ) (segid B and resid 59 and name hd2*) 1.8 0 3.5 assign (segid B and resid 26 and name hd* ) (segid B and resid 55 and name hd* ) 1.8 0 4.1 assign (segid B and resid 26 and name hd* ) (segid B and resid 55 and name he* ) 1.8 0 4.1 assign (segid B and resid 26 and name hg2*) (segid B and resid 55 and name hd* ) 1.8 0 6.3 assign (segid B and resid 26 and name hg2*) (segid B and resid 55 and name he* ) 1.8 0 6.3 assign (segid B and resid 26 and name hg2*) (segid B and resid 30 and name he* ) 1.8 0 4.1 assign (segid B and resid 26 and name hd* ) (segid B and resid 30 and name he* ) 1.8 0 6.3 assign (segid B and resid 26 and name hd* ) (segid B and resid 30 and name hz ) 1.8 0 5.3 assign (segid B and resid 26 and name hg2*) (segid B and resid 14 and name he* ) 1.8 0 4.1 assign (segid B and resid 26 and name hg2*) (segid B and resid 14 and name hd* ) 1.8 0 4.6 assign (segid B and resid 27 and name hg2*) (segid B and resid 52 and name ha ) 1.8 0 2.0 assign (segid B and resid 27 and name hg2*) (segid B and resid 51 and name hg2*) 1.8 0 3.5 assign (segid B and resid 27 and name hg1*) (segid B and resid 51 and name hg2*) 1.8 0 5.2 assign (segid B and resid 27 and name ha ) (segid B and resid 51 and name hg2*) 1.8 0 4.2 assign (segid B and resid 27 and name hg1*) (segid B and resid 48 and name hg2*) 1.8 0 3.5 assign (segid B and resid 27 and name hg1*) (segid B and resid 48 and name ha ) 1.8 0 4.2 assign (segid B and resid 29 and name hd2*) (segid B and resid 14 and name ha ) 1.8 0 2.0 assign (segid B and resid 29 and name hd2*) (segid B and resid 14 and name hb1 ) 1.8 0 2.5 assign (segid B and resid 29 and name hd2*) (segid B and resid 14 and name hn ) 1.8 0 2.5 assign (segid B and resid 29 and name hd1*) (segid B and resid 10 and name ha ) 1.8 0 4.2 assign (segid B and resid 29 and name hg ) (segid B and resid 10 and name ha ) 1.8 0 3.2 assign (segid B and resid 29 and name hd1*) (segid B and resid 13 and name hd* ) 1.8 0 3.0 assign (segid B and resid 29 and name hd1*) (segid B and resid 13 and name hn ) 1.8 0 4.2 assign (segid B and resid 29 and name hd1*) (segid B and resid 103 and name he*) 1.8 0 6.3 assign (segid B and resid 30 and name hz ) (segid B and resid 55 and name hz ) 1.8 0 3.2 assign (segid B and resid 30 and name hz ) (segid B and resid 55 and name he* ) 1.8 0 5.3 assign (segid B and resid 30 and name hd* ) (segid B and resid 34 and name hb* ) 1.8 0 4.1 assign (segid B and resid 30 and name he* ) (segid B and resid 34 and name hb* ) 1.8 0 6.3 assign (segid B and resid 30 and name hb1 ) (segid B and resid 34 and name hb* ) 1.8 0 4.2 assign (segid B and resid 30 and name hb2 ) (segid B and resid 34 and name hb* ) 1.8 0 4.2 assign (segid B and resid 30 and name ha ) (segid B and resid 109 and name hb ) 1.8 0 1.5 assign (segid B and resid 30 and name ha ) (segid B and resid 109 and name hn ) 1.8 0 3.2 assign (segid B and resid 30 and name ha ) (segid B and resid 109 and name hg1*) 1.8 0 4.2 assign (segid B and resid 30 and name ha ) (segid B and resid 109 and name hg2*) 1.8 0 4.2 assign (segid B and resid 30 and name hd* ) (segid B and resid 109 and name hg1*) 1.8 0 4.6 assign (segid B and resid 31 and name hn ) (segid B and resid 109 and name hn ) 1.8 0 1.5 !Helix III (thr48-pro62) assign (segid B and resid 33 and name ha ) (segid B and resid 47 and name ha1 ) 1.8 0 1.5 assign (segid B and resid 33 and name ha ) (segid B and resid 47 and name ha2 ) 1.8 0 1.5 assign (segid B and resid 33 and name ha ) (segid B and resid 47 and name hn ) 1.8 0 3.2 assign (segid B and resid 33 and name ha ) (segid B and resid 48 and name hn ) 1.8 0 3.2 assign (segid B and resid 34 and name hb* ) (segid B and resid 51 and name hg2*) 1.8 0 3.0 assign (segid B and resid 34 and name hb* ) (segid B and resid 51 and name hd* ) 1.8 0 3.5 assign (segid B and resid 35 and name ha ) (segid B and resid 51 and name hd* ) 1.8 0 4.2 assign (segid B and resid 36 and name hg1*) (segid B and resid 54 and name he* ) 1.8 0 4.6 assign (segid B and resid 36 and name hg2*) (segid B and resid 54 and name he* ) 1.8 0 6.3 assign (segid B and resid 36 and name hg1*) (segid B and resid 54 and name hd* ) 1.8 0 6.3 assign (segid B and resid 36 and name hg2*) (segid B and resid 54 and name hd* ) 1.8 0 6.3 assign (segid B and resid 36 and name hg2*) (segid B and resid 55 and name he* ) 1.8 0 4.1 assign (segid B and resid 36 and name hg2*) (segid B and resid 55 and name hd* ) 1.8 0 4.1 assign (segid B and resid 86 and name hd* ) (segid B and resid 61 and name hd1*) 1.8 0 4.1 assign (segid B and resid 63 and name hd2*) (segid B and resid 61 and name hd2*) 1.8 0 3.5 assign (segid B and resid 63 and name hd1*) (segid B and resid 61 and name hd2*) 1.8 0 3.5 assign (segid B and resid 88 and name he* ) (segid B and resid 61 and name hd1*) 1.8 0 6.3 assign (segid B and resid 88 and name he* ) (segid B and resid 61 and name hd2*) 1.8 0 6.3 !........................................................................ ! ! SUBSTRATE Interactions w/ KSI !........................................................................ !***** Intramolecular distances within the steroid to keep x-ray conf. !H-H distances:(not based on Noes but measured from xray coordinates) assign (segid D and resid 1 and name H22 ) (segid D and resid 1 and name H10) 2.50 0 0.02 assign (segid D and resid 1 and name H14 ) (segid D and resid 1 and name H61) 2.20 0 0.02 assign (segid D and resid 1 and name H10 ) (segid D and resid 1 and name H62) 3.05 0 0.02 assign (segid D and resid 1 and name H62 ) (segid D and resid 1 and name H8 ) 2.54 0 0.02 assign (segid D and resid 1 and name H10 ) (segid D and resid 1 and name H8 ) 2.91 0 0.02 assign (segid D and resid 1 and name H9 ) (segid D and resid 1 and name H71) 2.47 0 0.02 assign (segid D and resid 1 and name H9 ) (segid D and resid 1 and name H14) 2.34 0 0.02 assign (segid D and resid 1 and name H12 ) (segid D and resid 1 and name H71) 3.74 0 0.02 assign (segid D and resid 1 and name H71 ) (segid D and resid 1 and name H14) 2.53 0 0.02 assign (segid D and resid 1 and name 2H15) (segid D and resid 1 and name H14) 2.99 0 0.02 assign (segid D and resid 1 and name H14 ) (segid D and resid 1 and name 1H15) 2.30 0 0.02 !C-H distances:(4) assign (segid D and resid 1 and name C18 ) (segid D and resid 1 and name H14) 3.51 0 0.02 assign (segid D and resid 1 and name C18 ) (segid D and resid 1 and name 2H15) 2.90 0 0.02 assign (segid D and resid 1 and name C18 ) (segid D and resid 1 and name 1H11) 2.82 0 0.02 !C-C distances:(5) assign (segid D and resid 1 and name C3 ) (segid D and resid 1 and name C10) 2.93 0 0.02 assign (segid D and resid 1 and name C2 ) (segid D and resid 1 and name C5 ) 2.88 0 0.02 assign (segid D and resid 1 and name C5 ) (segid D and resid 1 and name C8 ) 2.84 0 0.02 assign (segid D and resid 1 and name C9 ) (segid D and resid 1 and name C13) 2.98 0 0.02 assign (segid D and resid 1 and name C13 ) (segid D and resid 1 and name C15) 2.41 0 0.02 !.....................Substrate-KSI...................................... assign (segid B and resid 61 and name hd1* ) (segid D and resid 1 and name *h21) 1.8 0 2.5 assign (segid B and resid 61 and name hd1* ) (segid D and resid 1 and name *h22) 1.8 0 3.0 assign (segid B and resid 61 and name hd2* ) (segid D and resid 1 and name *h21) 1.8 0 3.0 assign (segid B and resid 61 and name hd2* ) (segid D and resid 1 and name *h22) 1.8 0 3.0 assign (segid B and resid 121 and name hg2*) (segid D and resid 1 and name *h22) 1.8 0 4.7 assign (segid B and resid 121 and name hg2*) (segid D and resid 1 and name 1h16) 1.8 0 4.2 assign (segid B and resid 121 and name hd* ) (segid D and resid 1 and name *h22) 1.8 0 4.7 assign (segid B and resid 95 and name hg2* ) (segid D and resid 1 and name *h22) 1.8 0 5.2 assign (segid B and resid 95 and name hg2* ) (segid D and resid 1 and name *h21) 1.8 0 5.2 assign (segid B and resid 14 and name he* ) (segid D and resid 1 and name h21 ) 2.1 0 3.2 assign (segid B and resid 14 and name he* ) (segid D and resid 1 and name h22 ) 3.2 0 3.2 !........................................................................ ! ! KSI-Dimer Interface, intermolecular NOEs !........................................................................ assign (segid A and resid 74 and name hg2*) (segid B and resid 40 and name hb ) 1.8 0 2.5 assign (segid A and resid 74 and name hg2*) (segid B and resid 40 and name hg1*) 1.8 0 3.5 assign (segid A and resid 74 and name hg2*) (segid B and resid 115 and name ha ) 1.8 0 2.5 assign (segid A and resid 74 and name hg2*) (segid B and resid 115 and name hd1*) 1.8 0 3.5 assign (segid A and resid 74 and name hg1*) (segid B and resid 117 and name ha1) 1.8 0 2.5 assign (segid A and resid 74 and name hg1*) (segid B and resid 117 and name ha2) 1.8 0 2.5 assign (segid A and resid 74 and name hb ) (segid B and resid 117 and name ha1) 1.8 0 3.2 assign (segid A and resid 74 and name hb ) (segid B and resid 117 and name ha2) 1.8 0 3.2 assign (segid A and resid 75 and name hb* ) (segid B and resid 41 and name ha1 ) 1.8 0 2.5 assign (segid A and resid 75 and name hb* ) (segid B and resid 41 and name ha2 ) 1.8 0 2.5 assign (segid A and resid 75 and name hb* ) (segid B and resid 40 and name hg2*) 1.8 0 3.5 assign (segid A and resid 79 and name hb* ) (segid B and resid 115 and name hd1*) 1.8 0 3.5 assign (segid A and resid 79 and name ha ) (segid B and resid 115 and name hd1*) 1.8 0 2.5 assign (segid A and resid 79 and name hb* ) (segid B and resid 98 and name hg2*) 1.8 0 5.2 assign (segid B and resid 74 and name hg2*) (segid A and resid 40 and name hb ) 1.8 0 2.5 assign (segid B and resid 74 and name hg2*) (segid A and resid 40 and name hg1*) 1.8 0 3.5 assign (segid B and resid 74 and name hg2*) (segid A and resid 115 and name ha ) 1.8 0 2.5 assign (segid B and resid 74 and name hg2*) (segid A and resid 115 and name hd1*) 1.8 0 3.5 assign (segid B and resid 74 and name hg1*) (segid A and resid 117 and name ha1) 1.8 0 2.5 assign (segid B and resid 74 and name hg1*) (segid A and resid 117 and name ha2) 1.8 0 2.5 assign (segid B and resid 74 and name hb ) (segid A and resid 117 and name ha1) 1.8 0 3.2 assign (segid B and resid 74 and name hb ) (segid A and resid 117 and name ha2) 1.8 0 3.2 assign (segid B and resid 75 and name hb* ) (segid A and resid 41 and name ha1 ) 1.8 0 2.5 assign (segid B and resid 75 and name hb* ) (segid A and resid 41 and name ha2 ) 1.8 0 2.5 assign (segid B and resid 75 and name hb* ) (segid A and resid 40 and name hg2*) 1.8 0 3.5 assign (segid B and resid 79 and name hb* ) (segid A and resid 115 and name hd1*) 1.8 0 3.5 assign (segid B and resid 79 and name ha ) (segid A and resid 115 and name hd1*) 1.8 0 2.5 assign (segid B and resid 79 and name hb* ) (segid A and resid 98 and name hg2*) 1.8 0 5.2 !......................................Additional Restraints............................................. assign (segid C and resid 1 and name h62 ) (segid A and resid 38 and name od2) 2.2 0 0.3 assign (segid C and resid 1 and name c4 ) (segid A and resid 38 and name od1) 3.0 0 0.5 assign (segid C and resid 1 and name o3 ) (segid A and resid 14 and name oh ) 2.6 0 0.2 assign (segid A and resid 99 and name odt) (segid A and resid 14 and name oh ) 2.45 0 0.15 assign (segid D and resid 1 and name h62 ) (segid B and resid 38 and name od2) 2.2 0 0.3 assign (segid D and resid 1 and name c4 ) (segid B and resid 38 and name od1) 3.0 0 0.5 assign (segid D and resid 1 and name o3 ) (segid B and resid 14 and name oh ) 2.6 0 0.2 assign (segid B and resid 99 and name odt) (segid B and resid 14 and name oh ) 2.45 0 0.15
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