*HEADER   DNA-BINDING PROTEIN                     04-NOV-96   1TBD    
*TITLE    SOLUTION STRUCTURE OF THE ORIGIN DNA BINDING DOMAIN OF      
*TITLE   2 SV40 T-ANTIGEN, NMR, MINIMIZED AVERAGE STRUCTURE           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SV40 T-ANTIGEN;                                  
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: DNA BINDING DOMAIN                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SIMIAN VIRUS 40;                      
*SOURCE  3 ORGANISM_COMMON: SV40;                                     
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_CELL_LINE: BL21                          
*KEYWDS   DNA-BINDING PROTEIN, REPLICATION ORIGIN BINDING DOMAIN      
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   X.LUO,D.G.SANFORD,P.A.BULLOCK,W.W.BACHOVCHIN                
*REVDAT  1   12-MAR-97 1TBD    0                                      



REMARK  Experimental NMR restraints for the 
REMARK  high resolution solution NMR structure determination of the 
REMARK  SV40 T antigen DNA binding domain.

REMARK
REMARK   Authors: X. Luo, D.G.Sanford, P.A.Bullock and W.W. Bachovchin
REMARK            Department of Biochemistry
REMARK            Tufts University School of Medicine
REMARK            136 Harrison Ave.
REMARK            Boston, MA 02111
REMARK   Tel: (617) 636 6881; FAX (617) 636 6409;
REMARK   e-mail: wbachovc@opal.tufts.edu
REMARK  
REMARK   References:
REMARK  X. Luo, D.G.Sanford, P.A. Bullock and W.W. Bachovchin
REMARK  Solution Structure of the Origin DNA Binding Domain of SV40 T-antigen
REMARK  Nature Structural Biology 
REMARK
REMARK  

A. NOE interproton distance restraints

!hn NOEs
assign (resid 4 and name hn)	(resid 3 and name ha) 2.5 0.7 0.2
assign (resid 4 and name hn)	(resid 4 and name ha) 2.5 0.7 0.2
assign (resid 4 and name hn)	(resid 4 and name hb) 2.5 0.7 0.2
assign (resid 5 and name hn)	(resid 5 and name ha) 3.0 1.2 0.5
assign (resid 5 and name hn)	(resid 4 and name ha) 2.5 0.7 0.2
assign (resid 5 and name hn)	(resid 5 and name hb#) 3.0 1.2 1.5
assign (resid 5 and name hn)	(resid 5 and name hg#) 3.0 1.2 1.5
assign (resid 6 and name hn)	(resid 5 and name ha) 3.0 1.2 0.5
assign (resid 6 and name hn)	(resid 5 and name hb#) 3.0 1.2 1.5
assign (resid 6 and name hn)	(resid 5 and name hg#) 3.0 1.2 1.5
assign (resid 6 and name hn)	(resid 6 and name ha) 4.0 2.2 1.0
assign (resid 6 and name hn)	(resid 6 and name hb1) 3.0 1.2 0.5
assign (resid 6 and name hn)	(resid 6 and name hb2) 3.0 1.2 0.5
assign (resid 6 and name hn)	(resid 7 and name hd1) 4.0 2.2 1.0
assign (resid 6 and name hn)	(resid 7 and name hd2) 4.0 2.2 1.0
assign (resid 8 and name hn)	(resid 9 and name hn) 2.5 0.7 0.2
assign (resid 8 and name hn)	(resid 7 and name ha) 2.5 0.7 0.2
assign (resid 8 and name hn)	(resid 7 and name hb#) 4.0 2.2 2.0
assign (resid 8 and name hn)	(resid 8 and name ha) 3.0 1.2 0.5
assign (resid 8 and name hn)	(resid 8 and name hb#) 2.5 0.7 1.2
assign (resid 8 and name hn)	(resid 8 and name hg#) 3.0 1.2 1.5
assign (resid 8 and name hn)	(resid 8 and name hd#) 4.0 2.2 2.0
assign (resid 9 and name hn)	(resid 9 and name ha) 4.0 2.2 1.0
assign (resid 9 and name hn)	(resid 9 and name hb1) 4.0 2.2 1.0
assign (resid 9 and name hn)	(resid 9 and name hb2) 4.0 2.2 1.0
assign (resid 9 and name hn)	(resid 7 and name ha) 3.0 1.2 0.5
assign (resid 9 and name hn)	(resid 7 and name hb#) 4.0 2.2 2.0
assign (resid 9 and name hn)	(resid 8 and name ha) 3.0 1.2 0.5
assign (resid 9 and name hn)	(resid 8 and name hb#) 4.0 2.2 2.0
assign (resid 9 and name hn)	(resid 8 and name hd#) 4.0 2.2 2.0
assign (resid 9 and name hn)	(resid 94 and name hg1#) 4.0 2.2 2.0
assign (resid 9 and name hn)	(resid 94 and name hd#) 3.0 1.2 2.0
assign (resid 10 and name hn)	(resid 10 and name ha) 4.0 2.2 1.0
assign (resid 10 and name hn)	(resid 10 and name hb#) 2.5 0.7 1.2
assign (resid 10 and name hn)	(resid 9 and name hb1) 4.0 2.2 1.0
assign (resid 10 and name hn)	(resid 9 and name hb2) 4.0 2.2 1.0
assign (resid 10 and name hn)	(resid 94 and name hg2#) 4.0 2.2 2.5
assign (resid 12 and name hn)	(resid 13 and name hn) 3.0 1.2 0.5
assign (resid 12 and name hn)	(resid 11 and name ha) 2.5 0.7 0.2
assign (resid 12 and name hn)	(resid 11 and name hb#) 4.0 2.2 2.0
assign (resid 12 and name hn)	(resid 12 and name ha) 3.0 1.2 0.5
assign (resid 12 and name hn)	(resid 12 and name hb#) 3.0 1.2 1.5
assign (resid 13 and name hn)	(resid 14 and name hn) 3.0 1.2 0.5
assign (resid 13 and name hn)	(resid 12 and name ha) 3.0 1.2 0.5
assign (resid 13 and name hn)	(resid 12 and name hb#) 4.0 2.2 2.0
assign (resid 13 and name hn)	(resid 13 and name ha) 3.0 1.2 0.5
assign (resid 13 and name hn)	(resid 13 and name hb1) 3.0 1.2 0.5
assign (resid 13 and name hn)	(resid 13 and name hb2) 3.0 1.2 0.5
assign (resid 13 and name hn)	(resid 13 and name hg1) 4.0 2.2 1.0
assign (resid 13 and name hn)	(resid 13 and name hg2) 4.0 2.2 1.0
assign (resid 14 and name hn)	(resid 15 and name hn) 3.0 1.2 0.5
assign (resid 14 and name hn)	(resid 13 and name ha) 4.0 2.2 1.0
assign (resid 14 and name hn)	(resid 13 and name hb#) 4.0 2.2 2.0
assign (resid 14 and name hn)	(resid 14 and name hg) 4.0 2.2 1.0
assign (resid 14 and name hn)	(resid 15 and name ha) 4.0 2.2 1.0
assign (resid 14 and name hn)	(resid 15 and name hb#) 4.0 2.2 2.0
assign (resid 15 and name hn)	(resid 16 and name hn) 4.0 2.2 1.0
assign (resid 15 and name hn)	(resid 12 and name ha) 3.0 1.2 0.5
assign (resid 15 and name hn)	(resid 15 and name ha) 3.0 1.2 0.5
assign (resid 15 and name hn)	(resid 15 and name hg) 3.0 1.2 0.5
assign (resid 15 and name hn)	(resid 15 and name hb#) 3.0 1.2 1.5
assign (resid 16 and name hn)	(resid 15 and name ha) 4.0 2.2 1.0
assign (resid 16 and name hn)	(resid 16 and name ha) 3.0 1.2 0.5
assign (resid 16 and name hn)	(resid 16 and name hb#) 3.0 1.2 1.5
assign (resid 16 and name hn)	(resid 15 and name hb1) 4.0 2.2 1.0
assign (resid 16 and name hn)	(resid 15 and name hb2) 4.0 2.2 1.0
assign (resid 17 and name hn)	(resid 16 and name hn) 4.0 2.2 1.0
assign (resid 17 and name hn)	(resid 17 and name hb#) 3.0 1.2 1.5
assign (resid 17 and name hn)	(resid 16 and name hb#) 4.0 2.2 2.0
assign (resid 17 and name hn)	(resid 16 and name ha) 4.0 2.2 1.0
assign (resid 17 and name hn)	(resid 15 and name ha) 4.0 2.2 1.0
assign (resid 17 and name hn)	(resid 18 and name hb#) 4.0 2.2 2.0
assign (resid 17 and name hn)	(resid 18 and name hg) 4.0 2.2 2.0
assign (resid 18 and name hn)	(resid 15 and name ha) 4.0 2.2 1.0
assign (resid 18 and name hn)	(resid 18 and name ha) 4.0 2.2 1.0
assign (resid 18 and name hn)	(resid 18 and name hb#) 3.0 1.2 1.5
assign (resid 18 and name hn)	(resid 18 and name hg) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 19 and name ha) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 19 and name hb#) 3.0 1.2 1.5
assign (resid 19 and name hn)	(resid 18 and name hn) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 18 and name ha) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 18 and name hg) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 18 and name hb1) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 18 and name hb2) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 98 and name ha) 4.0 2.2 1.0
assign (resid 19 and name hn)	(resid 98 and name hg1#) 4.0 2.2 2.5
assign (resid 21 and name hn)	(resid 19 and name hb#) 4.0 2.2 2.0
assign (resid 21 and name hn)	(resid 21 and name ha) 4.0 2.2 1.0
assign (resid 21 and name hn)	(resid 21 and name hb#) 2.5 0.7 1.7
assign (resid 22 and name hn)	(resid 21 and name ha) 3.0 1.2 0.5
assign (resid 22 and name hn)	(resid 22 and name ha) 3.0 1.2 0.5
assign (resid 22 and name hn)	(resid 22 and name hb) 3.0 1.2 0.5
assign (resid 22 and name hn)	(resid 22 and name hg1#) 4.0 2.2 2.5
assign (resid 22 and name hn)	(resid 22 and name hg2#) 2.5 0.7 1.7
assign (resid 22 and name hn)	(resid 21 and name hb#) 3.0 1.2 2.0
assign (resid 23 and name hn)	(resid 22 and name ha)	3.0 1.2 0.5
assign (resid 23 and name hn)	(resid 22 and name hb)	4.0 2.2 1.0
assign (resid 23 and name hn)	(resid 22 and name hg1#) 4.0 2.2 2.5
assign (resid 23 and name hn)	(resid 22 and name hg2#) 3.0 1.2 2.0
assign (resid 23 and name hn)	(resid 23 and name hb1) 4.0 2.2 1.0
assign (resid 23 and name hn)	(resid 23 and name hb2) 4.0 2.2 1.0
assign (resid 24 and name hn)	(resid 21 and name hb#) 4.0 2.2 2.5
assign (resid 24 and name hn)	(resid 23 and name hn) 4.0 2.2 1.0
assign (resid 24 and name hn)	(resid 23 and name hb1) 4.0 2.2 1.0
assign (resid 24 and name hn)	(resid 23 and name hb2) 4.0 2.2 1.0
assign (resid 24 and name hn)	(resid 24 and name hb1) 4.0 2.2 1.0
assign (resid 24 and name hn)	(resid 24 and name hb2) 4.0 2.2 1.0
assign (resid 26 and name hn)	(resid 25 and name hb#) 4.0 2.2 2.0
assign (resid 26 and name hn)	(resid 26 and name ha) 3.0 1.2 0.5
assign (resid 26 and name hn)	(resid 26 and name hb#) 2.5 0.7 1.2
assign (resid 26 and name hn)	(resid 26 and name hg#) 3.0 1.2 1.5
assign (resid 26 and name hn)	(resid 26 and name hd#) 4.0 2.2 2.0
assign (resid 27 and name hn)	(resid 26 and name ha) 2.5 0.7 0.2
assign (resid 27 and name hn)	(resid 26 and name hb#) 3.0 1.2 1.5
assign (resid 27 and name hn)	(resid 26 and name hg#) 4.0 2.2 2.0
assign (resid 27 and name hn)	(resid 27 and name hg2#) 3.0 1.2 2.0
assign (resid 27 and name hn)	(resid 26 and name hd#) 4.0 2.2 2.0
assign (resid 28 and name hn)	(resid 75 and name hn) 4.0 2.2 1.0
assign (resid 28 and name hn)	(resid 27 and name ha) 4.0 2.2 1.0
assign (resid 28 and name hn)	(resid 27 and name hb) 4.0 2.2 1.0
assign (resid 28 and name hn)	(resid 27 and name hg2#) 4.0 2.2 2.5
assign (resid 28 and name hn)	(resid 28 and name hb#)	3.0 1.2 1.5
assign (resid 29 and name hn)	(resid 30 and name hn) 3.0 1.2 0.5
assign (resid 29 and name hn)	(resid 29 and name ha) 4.0 2.2 1.0
assign (resid 29 and name hn)	(resid 29 and name hb#)	2.5 0.7 1.7
assign (resid 30 and name hn)	(resid 30 and name ha) 4.0 2.2 1.0
assign (resid 30 and name hn)	(resid 28 and name hb#) 4.0 2.2 2.0
assign (resid 30 and name hn)	(resid 29 and name ha) 4.0 2.2 1.0
assign (resid 30 and name hn)	(resid 30 and name hb1) 4.0 2.2 1.0
assign (resid 30 and name hn)	(resid 30 and name hb2) 4.0 2.2 1.0
assign (resid 30 and name hn)	(resid 29 and name hb#) 3.0 1.2 2.0
assign (resid 31 and name hn)	(resid 69 and name hn) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 70 and name ha) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 70 and name hg) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 31 and name ha) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 30 and name ha) 3.0 1.2 0.5
assign (resid 31 and name hn)	(resid 30 and name hb1) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 30 and name hb2) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 31 and name hb1) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 31 and name hb2) 4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 98 and name hg2#) 4.0 2.2 2.5
assign (resid 32 and name hn)	(resid 96 and name hn)	4.0 2.2 1.0
assign (resid 32 and name hn)	(resid 32 and name ha)	3.0 1.2 0.5
assign (resid 32 and name hn)	(resid 31 and name hb#)	3.0 1.2 1.5
assign (resid 32 and name hn)	(resid 32 and name hb#)	2.5 0.7 1.7
assign (resid 32 and name hn)	(resid 98 and name hg2#) 3.0 1.2 2.0
assign (resid 33 and name hn)	(resid 67 and name hn)	4.0 2.2 1.0
assign (resid 33 and name hn)	(resid 32 and name ha)	2.5 0.7 0.2
assign (resid 33 and name hn)	(resid 33 and name ha)	3.0 1.2 0.5
assign (resid 33 and name hn)	(resid 68 and name ha)	4.0 2.2 1.0
assign (resid 33 and name hn)	(resid 33 and name hb)	3.0 1.2 0.5
assign (resid 33 and name hn)	(resid 33 and name hg11) 4.0 2.2 1.0
assign (resid 33 and name hn)	(resid 33 and name hg12) 4.0 2.2 1.0
assign (resid 33 and name hn)	(resid 32 and name hb#) 3.0 1.2 2.0
assign (resid 33 and name hn)	(resid 66 and name hg2#) 4.0 2.2 2.5
assign (resid 33 and name hn)	(resid 33 and name hg2#) 4.0 2.2 2.5
assign (resid 34 and name hn)	(resid 94 and name hn)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 94 and name hb)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 94 and name hg2#) 4.0 2.2 2.5
assign (resid 34 and name hn)	(resid 93 and name hd1#) 4.0 2.2 2.5
assign (resid 34 and name hn)	(resid 34 and name ha)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 95 and name ha)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 95 and name hb2)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 33 and name ha)	2.5 0.7 0.2
assign (resid 34 and name hn)	(resid 33 and name hb)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 33 and name hg2#) 3.0 1.2 2.0
assign (resid 34 and name hn)	(resid 34 and name hb1)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 34 and name hb2)	3.0 1.2 0.5
assign (resid 35 and name hn)	(resid 65 and name hn)	4.0 2.2 1.0
assign (resid 35 and name hn)	(resid 34 and name ha) 2.5 0.7 0.2
assign (resid 35 and name hn)	(resid 66 and name ha) 3.0 1.2 0.5
assign (resid 35 and name hn)	(resid 33 and name hg2#) 4.0 2.2 2.5
assign (resid 35 and name hn)	(resid 35 and name hb) 4.0 2.2 1.0
assign (resid 35 and name hn)	(resid 35 and name ha)	3.0 1.2 0.5
assign (resid 35 and name hn)	(resid 35 and name hg2#) 3.0 1.2 2.0
assign (resid 35 and name hn)	(resid 34 and name hb1) 4.0 2.2 1.0
assign (resid 35 and name hn)	(resid 66 and name hg1#) 4.0 2.2 2.0
assign (resid 35 and name hn)	(resid 66 and name hd#) 4.0 2.2 2.5
assign (resid 36 and name hn)	(resid 35 and name ha)	3.0 1.2 0.5
assign (resid 36 and name hn)	(resid 35 and name hb)	4.0 2.2 1.0
assign (resid 36 and name hn)	(resid 35 and name hg2#) 3.0 1.2 2.0
assign (resid 36 and name hn)	(resid 36 and name ha)	4.0 2.2 1.0
assign (resid 36 and name hn)	(resid 36 and name hg2#) 3.0 1.2 2.0
assign (resid 36 and name hn)	(resid 39 and name hb#)	4.0 2.2 2.0
assign (resid 36 and name hn)	(resid 94 and name hd#)	4.0 2.2 2.5
assign (resid 37 and name hn)	(resid 38 and name hn)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 36 and name ha)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 36 and name hb)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 37 and name ha)	3.0 1.2 0.5
assign (resid 37 and name hn)	(resid 37 and name hb1)	3.0 1.2 0.5
assign (resid 37 and name hn)	(resid 37 and name hb2)	3.0 1.2 0.5
assign (resid 37 and name hn)	(resid 37 and name hg1)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 37 and name hg2)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 37 and name he#)	4.0 2.2 2.0
assign (resid 37 and name hn)	(resid 64 and name ha)	4.0 2.2 1.0
assign (resid 37 and name hn)	(resid 65 and name hd#)	4.0 2.2 2.0
assign (resid 38 and name hn)	(resid 39 and name hn)	3.0 1.2 0.5
assign (resid 38 and name hn)	(resid 38 and name ha)	2.5 0.7 0.2
assign (resid 38 and name hn)	(resid 36 and name hb) 4.0 2.2 1.0
assign (resid 38 and name hn)	(resid 37 and name ha) 4.0 2.2 1.0
assign (resid 38 and name hn)	(resid 38 and name hb#)	3.0 1.2 1.5
assign (resid 38 and name hn)	(resid 38 and name hg#)	4.0 2.2 2.0
assign (resid 38 and name hn)	(resid 37 and name hg#)	3.0 1.2 1.5
assign (resid 38 and name hn)	(resid 37 and name hb#)	3.0 1.2 1.5
assign (resid 39 and name hn)	(resid 40 and name hn) 3.0 1.2 0.5
assign (resid 39 and name hn)	(resid 37 and name ha) 4.0 2.2 1.0
assign (resid 39 and name hn)	(resid 37 and name hg#) 3.0 1.2 1.5
assign (resid 39 and name hn)	(resid 38 and name ha) 4.0 2.2 1.0
assign (resid 39 and name hn)	(resid 38 and name hb#) 4.0 2.2 2.0
assign (resid 39 and name hn)	(resid 39 and name ha) 4.0 2.2 1.0
assign (resid 39 and name hn)	(resid 39 and name hb#) 3.0 1.2 1.5
assign (resid 39 and name hn)	(resid 35 and name hg2#) 4.0 2.2 2.5
assign (resid 40 and name hn)	(resid 33 and name hg2#) 4.0 2.2 2.5
assign (resid 40 and name hn)	(resid 35 and name hg2#) 3.0 1.2 2.0
assign (resid 40 and name hn)	(resid 41 and name hn)	3.0 1.2 0.5
assign (resid 40 and name hn)	(resid 40 and name ha)	3.0 1.2 0.5
assign (resid 40 and name hn)	(resid 38 and name hn) 4.0 2.2 1.0
assign (resid 40 and name hn)	(resid 42 and name hn) 4.0 2.2 1.0
assign (resid 40 and name hn)	(resid 39 and name ha) 4.0 2.2 1.0
assign (resid 40 and name hn)	(resid 39 and name hb#) 4.0 2.2 2.0
assign (resid 40 and name hn)	(resid 39 and name hg#) 4.0 2.2 2.0
assign (resid 40 and name hn)	(resid 37 and name ha) 4.0 2.2 1.0
assign (resid 40 and name hn)	(resid 40 and name hb#)	2.5 0.7 1.7
assign (resid 41 and name hn)	(resid 42 and name hn) 3.0 1.2 0.5
assign (resid 41 and name hn)	(resid 37 and name ha) 4.0 2.2 1.0
assign (resid 41 and name hn)	(resid 37 and name hb#) 4.0 2.2 2.0
assign (resid 41 and name hn)	(resid 38 and name hn) 4.0 2.2 1.0
assign (resid 41 and name hn)	(resid 38 and name ha) 4.0 2.2 1.0
assign (resid 41 and name hn)	(resid 40 and name ha) 4.0 2.2 1.0
assign (resid 41 and name hn)	(resid 41 and name ha) 3.0 1.2 0.5
assign (resid 41 and name hn)	(resid 40 and name hb#) 3.0 1.2 2.0
assign (resid 41 and name hn)	(resid 41 and name hb#) 2.5 0.7 1.7
assign (resid 42 and name hn)	(resid 39 and name ha)	4.0 2.2 1.0
assign (resid 42 and name hn)	(resid 43 and name hn) 3.0 1.2 0.5
assign (resid 42 and name hn)	(resid 42 and name ha) 3.0 1.2 0.5
assign (resid 42 and name hn)	(resid 41 and name ha) 3.0 1.2 0.5
assign (resid 42 and name hn)	(resid 42 and name hb#) 2.5 0.7 1.2
assign (resid 42 and name hn)	(resid 42 and name hg) 3.0 1.2 0.5
assign (resid 42 and name hn)	(resid 41 and name hb#) 3.0 1.2 2.0
assign (resid 43 and name hn)	(resid 44 and name hn)	3.0 1.2 0.5
assign (resid 43 and name hn)	(resid 40 and name ha)	4.0 2.2 1.0
assign (resid 43 and name hn)	(resid 42 and name ha)	4.0 2.2 1.0
assign (resid 43 and name hn)	(resid 42 and name hb#)	3.0 1.2 1.5
assign (resid 43 and name hn)	(resid 43 and name ha)	3.0 1.2 0.5
assign (resid 43 and name hn)	(resid 43 and name hb1)	4.0 2.2 1.0
assign (resid 43 and name hn)	(resid 43 and name hb2)	3.0 1.2 0.5
assign (resid 43 and name hn)	(resid 43 and name hg)	4.0 2.2 1.0
assign (resid 43 and name hn)	(resid 42 and name hg) 4.0 2.2 1.0
assign (resid 43 and name hn)	(resid 87 and name hd1#) 4.0 2.2 2.5
assign (resid 44 and name hn)	(resid 41 and name ha) 4.0 2.2 1.0
assign (resid 44 and name hn)	(resid 42 and name hn) 4.0 2.2 1.0
assign (resid 44 and name hn)	(resid 45 and name hn)	3.0 1.2 0.5
assign (resid 44 and name hn)	(resid 44 and name ha)	3.0 1.2 0.5
assign (resid 44 and name hn)	(resid 43 and name ha) 3.0 1.2 0.5
assign (resid 44 and name hn)	(resid 43 and name hb1) 4.0 2.2 1.0
assign (resid 44 and name hn)	(resid 43 and name hb2) 4.0 2.2 1.0
assign (resid 44 and name hn)	(resid 44 and name hb#) 2.5 0.7 1.2
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assign (resid 44 and name hn)	(resid 67 and name hd1#) 4.0 2.2 2.5
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assign (resid 45 and name hn)	(resid 45 and name hb#) 3.0 1.2 1.5
assign (resid 45 and name hn)	(resid 45 and name hg#) 4.0 2.2 2.0
assign (resid 45 and name hn)	(resid 42 and name ha) 4.0 2.2 1.0
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assign (resid 45 and name hn)	(resid 44 and name hb#) 3.0 1.2 1.5
assign (resid 45 and name hn)	(resid 56 and name hd#) 4.0 2.2 2.5
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assign (resid 46 and name hn)	(resid 43 and name ha) 3.0 1.2 0.5
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assign (resid 46 and name hn)	(resid 46 and name hb#) 3.0 1.2 1.5
assign (resid 46 and name hn)	(resid 46 and name hg#) 3.0 1.2 1.5
assign (resid 46 and name hn)	(resid 45 and name ha) 4.0 2.2 1.0
assign (resid 46 and name hn)	(resid 45 and name hb#) 3.0 1.2 1.5
assign (resid 46 and name hn)	(resid 47 and name hg1#) 4.0 2.2 2.0
assign (resid 46 and name hn)	(resid 56 and name hd#) 4.0 2.2 2.5
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assign (resid 47 and name hn)	(resid 43 and name ha)	4.0 2.2 1.0
assign (resid 47 and name hn)	(resid 46 and name ha)	4.0 2.2 1.0
assign (resid 47 and name hn)	(resid 46 and name hb#)	3.0 1.2 1.5
assign (resid 47 and name hn)	(resid 46 and name hg#)	3.0 1.2 1.5
assign (resid 47 and name hn)	(resid 47 and name ha)	3.0 1.2 0.5
assign (resid 47 and name hn)	(resid 47 and name hb)	3.0 1.2 0.5
assign (resid 47 and name hn)	(resid 47 and name hg1#) 3.0 1.2 1.5
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assign (resid 47 and name hn)	(resid 47 and name hd#)	3.0 1.2 2.0
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assign (resid 49 and name hn)	(resid 49 and name ha) 3.0 1.2 0.5
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assign (resid 51 and name hn)	(resid 52 and name hn) 3.0 1.2 0.5
assign (resid 51 and name hn)	(resid 51 and name ha) 4.0 2.2 1.0
assign (resid 51 and name hn)	(resid 51 and name hb#) 3.0 1.2 1.5
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assign (resid 51 and name hn)	(resid 50 and name hg#) 4.0 2.2 2.0
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assign (resid 52 and name hn)	(resid 53 and name hg1#) 4.0 2.2 2.5
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assign (resid 53 and name hn)	(resid 53 and name hb) 4.0 2.2 1.0
assign (resid 53 and name hn)	(resid 53 and name hg1#) 3.0 1.2 2.0
assign (resid 53 and name hn)	(resid 53 and name hg2#) 3.0 1.2 2.0
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assign (resid 54 and name hn)	(resid 54 and name ha)	3.0 1.2 0.5
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assign (resid 54 and name hn)	(resid 54 and name hb)	4.0 2.2 1.0
assign (resid 54 and name hn)	(resid 53 and name hb)	3.0 1.2 0.5
assign (resid 54 and name hn)	(resid 53 and name hg1#) 4.0 2.2 2.5
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assign (resid 54 and name hn)	(resid 54 and name hg2#) 4.0 2.2 2.5
assign (resid 54 and name hn)	(resid 71 and name ha)	4.0 2.2 1.0
assign (resid 54 and name hn)	(resid 72 and name hd#)	4.0 2.2 2.0
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assign (resid 55 and name hn)	(resid 53 and name hb) 3.0 1.2 0.5
assign (resid 55 and name hn)	(resid 53 and name hg1#) 3.0 1.2 2.0
assign (resid 55 and name hn)	(resid 53 and name hg2#) 3.0 1.2 2.0
assign (resid 55 and name hn)	(resid 54 and name ha) 3.0 1.2 0.5
assign (resid 55 and name hn)	(resid 55 and name ha) 4.0 2.2 1.0
assign (resid 55 and name hn)	(resid 54 and name hb) 4.0 2.2 1.0
assign (resid 55 and name hn)	(resid 55 and name hb1) 4.0 2.2 1.0
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assign (resid 56 and name hn)	(resid 119 and name hb1) 4.0 2.2 1.0
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assign (resid 56 and name hn)	(resid 120 and name hg) 4.0 2.2 1.0
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assign (resid 56 and name hn)	(resid 56 and name ha) 4.0 2.2 1.0
assign (resid 56 and name hn)	(resid 55 and name ha) 2.5 0.7 0.2
assign (resid 56 and name hn)	(resid 55 and name hb1) 4.0 2.2 1.0
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assign (resid 56 and name hn)	(resid 56 and name hb) 4.0 2.2 1.0
assign (resid 56 and name hn)	(resid 56 and name hg1#) 4.0 2.2 2.0
assign (resid 56 and name hn)	(resid 56 and name hg2#) 3.0 1.2 2.0
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assign (resid 57 and name hn)	(resid 68 and name hb#)	4.0 2.2 2.0
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assign (resid 57 and name hn)	(resid 56 and name ha)	2.5 0.7 0.2
assign (resid 57 and name hn)	(resid 56 and name hb)	4.0 2.2 1.0
assign (resid 57 and name hn)	(resid 56 and name hg11) 4.0 2.2 1.0
assign (resid 57 and name hn)	(resid 56 and name hg12) 4.0 2.2 1.0
assign (resid 57 and name hn)	(resid 56 and name hd#)	4.0 2.2 2.5
assign (resid 57 and name hn)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 57 and name hn)	(resid 57 and name hb#)	4.0 2.2 2.0
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assign (resid 58 and name hn)	(resid 58 and name ha)	4.0 2.2 1.0
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assign (resid 58 and name hn)	(resid 58 and name hg#) 4.0 2.2 2.0
assign (resid 58 and name hn)	(resid 57 and name ha)	3.0 1.2 0.5
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assign (resid 58 and name hn)	(resid 118 and name hg#) 4.0 2.2 2.0
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assign (resid 111 and name hn)	(resid 110 and name hb#) 3.0 1.2 1.5
assign (resid 111 and name hn)	(resid 111 and name ha) 4.0 2.2 1.0
assign (resid 111 and name hn)	(resid 111 and name hb#) 2.5 0.7 1.2
assign (resid 113 and name hn)	(resid 108 and name ha) 4.0 2.2 1.0
assign (resid 113 and name hn)	(resid 110 and name hn) 4.0 2.2 1.0
assign (resid 113 and name hn)	(resid 113 and name ha) 4.0 2.2 1.0
assign (resid 113 and name hn)	(resid 113 and name hb2) 3.0 1.2 0.5
assign (resid 113 and name hn)	(resid 114 and name hn) 4.0 2.2 1.0
assign (resid 113 and name hn)	(resid 111 and name ha) 3.0 1.2 0.5
assign (resid 113 and name hn)	(resid 111 and name hb#) 4.0 2.2 2.0
assign (resid 113 and name hn)	(resid 112 and name hb#) 4.0 2.2 2.0
assign (resid 113 and name hn)	(resid 112 and name hg#) 4.0 2.2 2.0
assign (resid 113 and name hn)	(resid 112 and name hd#) 4.0 2.2 2.0
assign (resid 114 and name hn)	(resid 60 and name hn) 4.0 2.2 1.0
assign (resid 114 and name hn)	(resid 61 and name ha) 4.0 2.2 1.0
assign (resid 114 and name hn)	(resid 113 and name ha) 3.0 1.2 0.5
assign (resid 114 and name hn)	(resid 113 and name hb1) 4.0 2.2 1.0
assign (resid 114 and name hn)	(resid 113 and name hb2) 4.0 2.2 1.0
assign (resid 114 and name hn)	(resid 60 and name hb1) 4.0 2.2 1.0
assign (resid 114 and name hn)	(resid 60 and name hb2) 4.0 2.2 1.0
assign (resid 115 and name hn)	(resid 114 and name ha)	3.0 1.2 0.5
assign (resid 115 and name hn)	(resid 115 and name ha) 4.0 2.2 1.0
assign (resid 115 and name hn)	(resid 114 and name hb#) 3.0 1.2 1.5
assign (resid 115 and name hn)	(resid 115 and name hb)	2.5 0.7 0.2
assign (resid 115 and name hn)	(resid 115 and name hg1#) 3.0 1.2 2.0
assign (resid 115 and name hn)	(resid 115 and name hg2#) 2.5 0.7 1.7
assign (resid 116 and name hn)	(resid 59 and name ha) 3.0 1.2 0.5
assign (resid 116 and name hn)	(resid 60 and name hn) 4.0 2.2 1.0
assign (resid 116 and name hn)	(resid 115 and name hg1#) 3.0 1.2 2.0
assign (resid 116 and name hn)	(resid 115 and name hg2#) 4.0 2.2 2.5
assign (resid 116 and name hn)	(resid 117 and name hn)	3.0 1.2 0.5
assign (resid 116 and name hn)	(resid 116 and name ha)	4.0 2.2 1.0
assign (resid 116 and name hn)	(resid 116 and name hb)	3.0 1.2 0.5
assign (resid 116 and name hn)	(resid 116 and name hg1#) 4.0 2.2 2.0
assign (resid 116 and name hn)	(resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 116 and name hn)	(resid 115 and name ha)	2.5 0.7 0.2
assign (resid 117 and name hn)	(resid 58 and name hn) 4.0 2.2 1.0
assign (resid 117 and name hn)	(resid 58 and name hb#) 4.0 2.2 2.0
assign (resid 117 and name hn)	(resid 59 and name ha) 4.0 2.2 1.0
assign (resid 117 and name hn)	(resid 115 and name ha) 4.0 2.2 1.0
assign (resid 117 and name hn)	(resid 116 and name ha) 4.0 2.2 1.0
assign (resid 117 and name hn)	(resid 116 and name hb) 3.0 1.2 0.5
assign (resid 117 and name hn)	(resid 116 and name hg1#) 4.0 2.2 2.0
assign (resid 117 and name hn)	(resid 115 and name hg1#) 3.0 1.2 2.0
assign (resid 117 and name hn)	(resid 117 and name hb#) 3.0 1.2 1.5
assign (resid 118 and name hn)	(resid 118 and name ha)	4.0 2.2 1.0
assign (resid 118 and name hn)	(resid 118 and name hb#) 3.0 1.2 1.5
assign (resid 118 and name hn)	(resid 118 and name hg#) 4.0 2.2 2.0
assign (resid 118 and name hn)	(resid 117 and name ha) 4.0 2.2 1.0
assign (resid 118 and name hn)	(resid 117 and name hb#) 4.0 2.2 2.0
assign (resid 118 and name hn)	(resid 117 and name hg#) 4.0 2.2 2.0
assign (resid 118 and name hn)	(resid 115 and name hg1#) 4.0 2.2 2.5
assign (resid 119 and name hn)	(resid 44 and name hh)	4.0 2.2 1.0
assign (resid 119 and name hn)	(resid 56 and name hn)	4.0 2.2 1.0
assign (resid 119 and name hn)	(resid 120 and name hn)	3.0 1.2 0.5
assign (resid 119 and name hn)	(resid 118 and name ha)	3.0 1.2 0.5
assign (resid 119 and name hn)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 119 and name hn)	(resid 57 and name ha) 4.0 2.2 1.0
assign (resid 119 and name hn)	(resid 119 and name ha)	3.0 1.2 0.5
assign (resid 119 and name hn)	(resid 119 and name hb#) 3.0 1.2 1.5
assign (resid 119 and name hn)	(resid 118 and name hb#) 4.0 2.2 2.0
assign (resid 119 and name hn)	(resid 120 and name hb#) 4.0 2.2 2.0
assign (resid 120 and name hn)	(resid 118 and name hb#) 4.0 2.2 2.0
assign (resid 120 and name hn)	(resid 118 and name hg#) 4.0 2.2 2.0
assign (resid 120 and name hn)	(resid 120 and name ha) 3.0 1.2 0.5
assign (resid 120 and name hn)	(resid 120 and name hb#) 3.0 1.2 1.5
assign (resid 120 and name hn)	(resid 119 and name ha) 4.0 2.2 1.0
assign (resid 122 and name hn)	(resid 123 and name hn)	3.0 1.2 0.5
assign (resid 122 and name hn)	(resid 121 and name ha)	3.0 1.2 0.5
assign (resid 122 and name hn)	(resid 121 and name hb#) 4.0 2.2 2.0
assign (resid 122 and name hn)	(resid 121 and name hg#) 4.0 2.2 2.0
assign (resid 122 and name hn)	(resid 122 and name ha#) 3.0 1.2 1.5
assign (resid 123 and name hn)	(resid 118 and name hb#) 4.0 2.2 2.0
assign (resid 123 and name hn)	(resid 121 and name ha) 4.0 2.2 1.0
assign (resid 123 and name hn)	(resid 120 and name hb#) 4.0 2.2 2.0
assign (resid 123 and name hn)	(resid 123 and name ha1) 3.0 1.2 0.5
assign (resid 123 and name hn)	(resid 123 and name ha2) 3.0 1.2 0.5
assign (resid 124 and name hn)	(resid 125 and name hn) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 123 and name hn) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 124 and name ha) 3.0 1.2 0.5
assign (resid 124 and name hn)	(resid 123 and name ha#) 3.0 1.2 1.5
assign (resid 124 and name hn)	(resid 124 and name hb1) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 124 and name hb2) 3.0 1.2 0.5
assign (resid 124 and name hn)	(resid 124 and name hg) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 124 and name hd1#) 4.0 2.2 2.5
assign (resid 125 and name hn)	(resid 124 and name hd1#) 4.0 2.2 2.5
assign (resid 125 and name hn)	(resid 124 and name hd2#) 4.0 2.2 2.5
assign (resid 125 and name hn)	(resid 124 and name ha)	3.0 1.2 0.5
assign (resid 125 and name hn)	(resid 124 and name hb1) 4.0 2.2 1.0
assign (resid 125 and name hn)	(resid 126 and name hn) 4.0 2.2 1.0
assign (resid 125 and name hn)	(resid 125 and name ha) 4.0 2.2 1.0
assign (resid 125 and name hn)	(resid 125 and name hb#) 4.0 2.2 2.0
assign (resid 125 and name hn)	(resid 125 and name hg#) 4.0 2.2 2.0
assign (resid 126 and name hn)	(resid 125 and name ha) 3.0 1.2 0.5
assign (resid 126 and name hn)	(resid 125 and name hb#) 4.0 2.2 2.0
assign (resid 126 and name hn)	(resid 125 and name hd#) 4.0 2.2 2.0
assign (resid 126 and name hn)	(resid 126 and name hb#) 3.0 1.2 1.5
assign (resid 126 and name hn)	(resid 126 and name hg#) 3.0 1.2 1.5
assign (resid 127 and name hn)	(resid 126 and name hg#) 4.0 2.2 2.0
assign (resid 127 and name hn)	(resid 127 and name ha) 3.0 1.2 0.5
assign (resid 127 and name hn)	(resid 127 and name hb#) 3.0 1.2 1.5
assign (resid 127 and name hn)	(resid 128 and name hn) 4.0 2.2 1.0
assign (resid 128 and name hn)	(resid 129 and name hn) 4.0 2.2 1.0
assign (resid 128 and name hn)	(resid 128 and name ha) 3.0 1.2 0.5
assign (resid 128 and name hn)	(resid 128 and name hb#) 3.0 1.2 1.5
assign (resid 128 and name hn)	(resid 127 and name ha) 4.0 2.2 1.0
assign (resid 128 and name hn)	(resid 127 and name hb#) 4.0 2.2 2.0
assign (resid 129 and name hn)	(resid 130 and name hn) 4.0 2.2 1.0
assign (resid 129 and name hn)	(resid 128 and name ha) 3.0 1.2 0.5
assign (resid 129 and name hn)	(resid 128 and name hb#) 4.0 2.2 2.0
assign (resid 129 and name hn)	(resid 129 and name ha) 4.0 2.2 1.0
assign (resid 129 and name hn)	(resid 129 and name hb1) 4.0 2.2 1.0
assign (resid 129 and name hn)	(resid 129 and name hb2) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 130 and name ha) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 129 and name ha) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 129 and name hb1) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 129 and name hb2) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 130 and name hb#) 2.5 0.7 1.2
assign (resid 132 and name hn)	(resid 131 and name ha) 2.5 0.7 0.2
assign (resid 132 and name hn)	(resid 132 and name hb#) 4.0 2.2 2.0
assign (resid 133 and name hn)	(resid 132 and name ha) 2.5 0.7 0.2
assign (resid 133 and name hn)	(resid 133 and name ha) 4.0 2.2 1.0
assign (resid 133 and name hn)	(resid 133 and name hb#) 3.0 1.2 1.5
assign (resid 133 and name hn)	(resid 132 and name hg#) 4.0 2.2 2.0
assign (resid 133 and name hn)	(resid 132 and name hb#) 4.0 2.2 2.0
assign (resid 134 and name hn)	(resid 134 and name ha) 3.0 1.2 0.5
assign (resid 134 and name hn)	(resid 134 and name hb#) 4.0 2.2 2.0
assign (resid 134 and name hn)	(resid 133 and name ha) 3.0 1.2 0.5

!ha NOEs
assign (resid 6 and name ha)	(resid 6 and name hb1) 3.0 1.2 0.3
assign (resid 6 and name ha)	(resid 6 and name hb2) 3.0 1.2 0.3
assign (resid 6 and name ha)	(resid 7 and name hd#) 2.5 0.7 1.2
assign (resid 6 and name ha)	(resid 7 and name hg1) 4.0 2.2 1.0
assign (resid 6 and name ha)	(resid 7 and name hg2) 4.0 2.2 1.0
assign (resid 6 and name ha)	(resid 64 and name he1) 4.0 2.2 1.0
assign (resid 7 and name ha)	(resid 7 and name hg#) 4.0 2.2 2.0
assign (resid 8 and name ha)	(resid 94 and name hd#) 3.0 1.2 1.8
assign (resid 9 and name ha)	(resid 9 and name hb1) 3.0 1.2 0.3
assign (resid 9 and name ha)	(resid 9 and name hb2) 3.0 1.2 0.3
assign (resid 9 and name ha)	(resid 94 and name hd#) 2.5 0.7 1.7
assign (resid 9 and name ha)	(resid 94 and name hg2#) 3.0 1.2 1.8
assign (resid 10 and name ha)	(resid 10 and name hb#) 3.0 1.2 1.3
assign (resid 10 and name ha)	(resid 11 and name hd#) 3.0 1.2 1.3
assign (resid 12 and name ha)	(resid 15 and name hb#) 3.0 1.2 1.3
assign (resid 13 and name ha)	(resid 13 and name hb#) 3.0 1.2 1.3
assign (resid 13 and name ha)	(resid 13 and name hg#) 3.0 1.2 1.3
assign (resid 14 and name ha)	(resid 14 and name hb#) 3.0 1.2 1.3
assign (resid 14 and name ha)	(resid 14 and name hg) 4.0 2.2 1.0
assign (resid 14 and name ha)	(resid 104 and name he#) 4.0 2.2 2.5
assign (resid 15 and name ha)	(resid 10 and name hb#) 4.0 2.2 2.0
assign (resid 15 and name ha)	(resid 15 and name hb#) 3.0 1.2 1.3
assign (resid 15 and name ha)	(resid 20 and name he1) 3.0 1.2 0.3
assign (resid 16 and name ha)	(resid 16 and name hb#) 2.5 0.7 1.2
assign (resid 17 and name ha)	(resid 17 and name hb#) 3.0 1.2 1.3
assign (resid 18 and name ha)	(resid 18 and name hb#) 3.0 1.2 1.3
assign (resid 18 and name ha)	(resid 18 and name hg) 4.0 2.2 1.0
assign (resid 18 and name ha)	(resid 98 and name ha) 3.0 1.2 0.3
assign (resid 19 and name ha)	(resid 19 and name hb#) 2.5 0.7 1.2
assign (resid 19 and name ha)	(resid 20 and name hd2) 4.0 2.2 1.0
assign (resid 19 and name ha)	(resid 99 and name hd21) 4.0 2.2 1.0
assign (resid 19 and name ha)	(resid 99 and name hd22) 4.0 2.2 1.0
assign (resid 20 and name ha)	(resid 20 and name hd2) 4.0 2.2 1.0
assign (resid 20 and name ha)	(resid 20 and name hb#) 2.5 0.7 1.2
assign (resid 21 and name ha)	(resid 21 and name hb#) 2.5 0.7 1.7
assign (resid 21 and name ha)	(resid 22 and name hg1#) 4.0 2.2 2.5
assign (resid 22 and name ha)	(resid 22 and name hb) 3.0 1.2 0.3
assign (resid 22 and name ha)	(resid 22 and name hg1#) 2.5 0.7 1.7
assign (resid 22 and name ha)	(resid 22 and name hg2#) 3.0 1.2 1.8
assign (resid 22 and name ha)	(resid 77 and name hb) 4.0 2.2 1.0
assign (resid 22 and name ha)	(resid 77 and name hg2#) 4.0 2.2 2.5
assign (resid 22 and name ha)	(resid 77 and name hg1#) 3.0 1.2 1.8
assign (resid 23 and name ha)	(resid 23 and name hb2) 3.0 1.2 0.3
assign (resid 23 and name ha)	(resid 23 and name hb1) 2.5 0.7 0.2
assign (resid 23 and name ha)	(resid 78 and name hb#) 3.0 1.2 1.3
assign (resid 24 and name ha)	(resid 21 and name hb#) 3.0 1.2 1.8
assign (resid 24 and name ha)	(resid 24 and name hb#) 2.5 0.7 1.2
assign (resid 25 and name ha)	(resid 25 and name hb#) 2.5 0.7 1.2
assign (resid 25 and name ha)	(resid 76 and name hd#) 3.0 1.2 1.3
assign (resid 26 and name ha)	(resid 26 and name hb#) 3.0 1.2 1.3
assign (resid 26 and name ha)	(resid 26 and name hg#) 4.0 2.2 2.0
assign (resid 26 and name ha)	(resid 26 and name hd#) 4.0 2.2 2.0
assign (resid 26 and name ha)	(resid 27 and name hg2#) 4.0 2.2 2.5
assign (resid 27 and name ha)	(resid 76 and name ha) 2.5 0.7 0.2
assign (resid 27 and name ha)	(resid 76 and name hb#) 4.0 2.2 2.0
assign (resid 27 and name ha)	(resid 76 and name hg#) 4.0 2.2 2.0
assign (resid 27 and name ha)	(resid 27 and name hb) 2.5 0.7 0.2
assign (resid 27 and name ha)	(resid 27 and name hg2#) 2.5 0.7 1.7
assign (resid 28 and name ha)	(resid 28 and name hb#) 3.0 1.2 1.3
assign (resid 29 and name ha)	(resid 29 and name hb#) 2.5 0.7 1.7
assign (resid 29 and name ha)	(resid 74 and name ha) 3.0 1.2 0.3
assign (resid 30 and name ha)	(resid 30 and name hb1) 4.0 2.2 1.0
assign (resid 30 and name ha)	(resid 30 and name hb2) 3.0 1.2 0.3
assign (resid 30 and name ha)	(resid 70 and name ha) 3.0 1.2 0.3
assign (resid 30 and name ha)	(resid 70 and name hg) 4.0 2.2 1.0
assign (resid 31 and name ha)	(resid 31 and name hb#) 3.0 1.2 1.3
assign (resid 31 and name ha)	(resid 97 and name ha#) 3.0 1.2 1.3
assign (resid 31 and name ha)	(resid 98 and name hg2#) 3.0 1.2 1.8
assign (resid 32 and name ha)	(resid 32 and name hb#) 2.5 0.7 1.7
assign (resid 32 and name ha)	(resid 66 and name hg2#) 4.0 2.2 2.5
assign (resid 32 and name ha)	(resid 68 and name ha) 3.0 1.2 0.3
assign (resid 32 and name ha)	(resid 104 and name he#) 4.0 2.2 2.5
assign (resid 33 and name ha)	(resid 33 and name hb) 3.0 1.2 0.3
assign (resid 33 and name ha)	(resid 33 and name hd#) 4.0 2.2 2.5
assign (resid 33 and name ha)	(resid 33 and name hg1#) 3.0 1.2 1.3
assign (resid 33 and name ha)	(resid 33 and name hg2#) 3.0 1.2 1.8
assign (resid 34 and name ha)	(resid 34 and name hb1) 4.0 2.2 1.0
assign (resid 34 and name ha)	(resid 34 and name hb2) 3.0 1.2 0.3
assign (resid 34 and name ha)	(resid 66 and name ha) 3.0 1.2 0.3
assign (resid 34 and name ha)	(resid 66 and name hg1#) 4.0 2.2 2.0
assign (resid 34 and name ha)	(resid 66 and name hg2#) 4.0 2.2 2.5
assign (resid 35 and name ha)	(resid 35 and name hg2#) 3.0 1.2 1.8
assign (resid 35 and name ha)	(resid 36 and name hg2#) 4.0 2.2 2.5
assign (resid 35 and name ha)	(resid 93 and name ha) 4.0 2.2 1.0
assign (resid 35 and name ha)	(resid 93 and name hd1#) 4.0 2.2 2.5
assign (resid 35 and name ha)	(resid 33 and name hg2#) 4.0 2.2 2.5
assign (resid 36 and name ha)	(resid 64 and name ha) 3.0 1.2 0.3
assign (resid 36 and name ha)	(resid 64 and name hd2) 4.0 2.2 1.0
assign (resid 36 and name ha)	(resid 64 and name hb1) 4.0 2.2 1.0
assign (resid 36 and name ha)	(resid 64 and name hb2) 4.0 2.2 1.0
assign (resid 36 and name ha)	(resid 36 and name hg2#) 2.5 0.7 1.7
assign (resid 37 and name ha)	(resid 37 and name hb#) 2.5 0.7 1.2
assign (resid 37 and name ha)	(resid 40 and name hb#) 2.5 0.7 1.7
assign (resid 37 and name ha)	(resid 65 and name ha) 4.0 2.2 1.0
assign (resid 37 and name ha)	(resid 65 and name hb1) 4.0 2.2 1.0
assign (resid 37 and name ha)	(resid 65 and name hb2) 4.0 2.2 1.0
assign (resid 38 and name ha)	(resid 38 and name hb#) 3.0 1.2 1.3
assign (resid 38 and name ha)	(resid 38 and name hg#) 3.0 1.2 1.3
assign (resid 38 and name ha)	(resid 41 and name hb#) 3.0 1.2 1.8
assign (resid 39 and name ha)	(resid 39 and name hb#) 3.0 1.2 1.3
assign (resid 39 and name ha)	(resid 39 and name hg#) 3.0 1.2 1.3
assign (resid 39 and name ha)	(resid 87 and name hd2#) 4.0 2.2 2.5
assign (resid 40 and name ha)	(resid 40 and name hb#) 2.5 0.7 1.7
assign (resid 40 and name ha)	(resid 43 and name hb#) 4.0 2.2 2.0
assign (resid 40 and name ha)	(resid 43 and name hg) 3.0 1.2 0.3
assign (resid 40 and name ha)	(resid 67 and name hd2#) 3.0 1.2 1.8
assign (resid 41 and name ha)	(resid 41 and name hb#) 2.5 0.7 1.7
assign (resid 41 and name ha)	(resid 44 and name hb#) 3.0 1.2 1.3
assign (resid 41 and name ha)	(resid 58 and name hd#) 3.0 1.2 1.3
assign (resid 42 and name ha)	(resid 42 and name hb#) 2.5 0.7 1.2
assign (resid 42 and name ha)	(resid 42 and name hg) 4.0 2.2 1.0
assign (resid 43 and name ha)	(resid 43 and name hb1) 3.0 1.2 0.3
assign (resid 43 and name ha)	(resid 43 and name hb2) 4.0 2.2 1.0
assign (resid 43 and name ha)	(resid 46 and name hb#) 3.0 1.2 1.3
assign (resid 43 and name ha)	(resid 47 and name hg1#) 4.0 2.2 2.0
assign (resid 43 and name ha)	(resid 47 and name hd#) 4.0 2.2 2.5
assign (resid 43 and name ha)	(resid 87 and name hd1#) 4.0 2.2 2.5
assign (resid 44 and name ha)	(resid 44 and name hb#) 3.0 1.2 1.3
assign (resid 44 and name ha)	(resid 56 and name hd#) 2.5 0.7 1.7
assign (resid 44 and name ha)	(resid 67 and name hd1#) 3.0 1.2 1.8
assign (resid 44 and name ha)	(resid 67 and name hd2#) 3.0 1.2 1.8
assign (resid 45 and name ha)	(resid 45 and name hb#) 3.0 1.2 1.3
assign (resid 45 and name ha)	(resid 45 and name hg#) 3.0 1.2 1.3
assign (resid 45 and name ha)	(resid 48 and name hg#) 4.0 2.2 2.0
assign (resid 46 and name ha)	(resid 46 and name hb#) 3.0 1.2 1.3
assign (resid 46 and name ha)	(resid 46 and name hg#) 3.0 1.2 1.3
assign (resid 46 and name ha)	(resid 50 and name he#) 4.0 2.2 2.0
assign (resid 47 and name ha)	(resid 47 and name hg2#) 3.0 1.2 1.8
assign (resid 47 and name ha)	(resid 47 and name hd#) 3.0 1.2 1.8
assign (resid 47 and name ha)	(resid 47 and name hg1#) 3.0 1.2 1.3
assign (resid 47 and name ha)	(resid 47 and name hb) 3.0 1.2 0.3
assign (resid 47 and name ha)	(resid 50 and name hb#) 3.0 1.2 1.3
assign (resid 47 and name ha)	(resid 50 and name he#) 4.0 2.2 2.0
assign (resid 48 and name ha)	(resid 49 and name ha) 4.0 2.2 1.0
assign (resid 48 and name ha)	(resid 47 and name hg2#) 4.0 2.2 2.5
assign (resid 48 and name ha)	(resid 48 and name hb#) 3.0 1.2 1.3
assign (resid 48 and name ha)	(resid 48 and name hg#) 3.0 1.2 1.3
assign (resid 48 and name ha)	(resid 53 and name hg1#) 3.0 1.2 1.8
assign (resid 48 and name ha)	(resid 53 and name hg2#) 2.5 0.7 1.7
assign (resid 48 and name ha)	(resid 53 and name hb) 4.0 2.2 1.0
assign (resid 48 and name ha)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 49 and name ha)	(resid 49 and name hb#) 3.0 1.2 1.3
assign (resid 49 and name ha)	(resid 49 and name hg#) 3.0 1.2 1.3
assign (resid 50 and name ha)	(resid 50 and name hb#) 3.0 1.2 1.3
assign (resid 50 and name ha)	(resid 50 and name hg#) 3.0 1.2 1.3
assign (resid 51 and name ha)	(resid 50 and name hg#) 4.0 2.2 2.0
assign (resid 51 and name ha)	(resid 51 and name hb#) 3.0 1.2 1.3
assign (resid 51 and name ha)	(resid 73 and name he1) 4.0 2.2 1.0
assign (resid 52 and name ha)	(resid 52 and name hb#) 3.0 1.2 1.3
assign (resid 53 and name ha)	(resid 53 and name hb) 3.0 1.2 0.3
assign (resid 53 and name ha)	(resid 53 and name hg1#) 3.0 1.2 1.8
assign (resid 53 and name ha)	(resid 53 and name hg2#) 3.0 1.2 1.8
assign (resid 53 and name ha)	(resid 54 and name hg2#) 4.0 2.2 2.5
assign (resid 53 and name ha)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 53 and name ha)	(resid 70 and name hb#) 4.0 2.2 2.0
assign (resid 53 and name ha)	(resid 71 and name ha) 3.0 1.2 0.3
assign (resid 53 and name ha)	(resid 71 and name hb) 4.0 2.2 1.0
assign (resid 53 and name ha)	(resid 71 and name hg2#) 4.0 2.2 2.5
assign (resid 54 and name ha)	(resid 54 and name hg2#) 2.5 0.7 1.7
assign (resid 55 and name ha)	(resid 55 and name hb1) 4.0 2.2 1.0
assign (resid 55 and name ha)	(resid 55 and name hb2) 3.0 1.2 0.3
assign (resid 56 and name ha)	(resid 53 and name hg2#) 4.0 2.2 2.5
assign (resid 55 and name ha)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 56 and name ha)	(resid 56 and name hb) 3.0 1.2 0.3
assign (resid 56 and name ha)	(resid 56 and name hg1#) 3.0 1.2 1.3
assign (resid 56 and name ha)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 56 and name ha)	(resid 56 and name hd#) 4.0 2.2 2.5
assign (resid 56 and name ha)	(resid 69 and name hb#) 4.0 2.2 2.0
assign (resid 57 and name ha)	(resid 57 and name hb#) 3.0 1.2 1.3
assign (resid 57 and name ha)	(resid 118 and name ha) 3.0 1.2 0.3
assign (resid 57 and name ha)	(resid 118 and name hb#) 4.0 2.2 2.0
assign (resid 58 and name ha)	(resid 58 and name hb#) 4.0 2.2 2.0
assign (resid 58 and name ha)	(resid 58 and name hg#) 3.0 1.2 1.3
assign (resid 58 and name ha)	(resid 67 and name hd1#) 3.0 1.2 1.8
assign (resid 58 and name ha)	(resid 67 and name hd2#) 4.0 2.2 2.5
assign (resid 59 and name ha)	(resid 59 and name hb1) 3.0 1.2 0.3
assign (resid 59 and name ha)	(resid 59 and name hb2) 4.0 2.2 1.0
assign (resid 59 and name ha)	(resid 116 and name ha) 4.0 2.2 1.0
assign (resid 59 and name ha)	(resid 115 and name ha) 3.0 1.2 0.3
assign (resid 59 and name ha)	(resid 115 and name hg1#) 3.0 1.2 1.8
assign (resid 59 and name ha)	(resid 115 and name hg2#) 4.0 2.2 2.5
assign (resid 59 and name ha)	(resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 59 and name ha)	(resid 116 and name hg1#) 4.0 2.2 2.0
assign (resid 60 and name ha)	(resid 60 and name hb2) 3.0 1.2 0.3
assign (resid 60 and name ha)	(resid 60 and name hb1) 2.5 0.7 0.2
assign (resid 60 and name ha)	(resid 116 and name hd#) 3.0 1.2 1.8
assign (resid 61 and name ha)	(resid 61 and name hb#) 3.0 1.2 1.3
assign (resid 61 and name ha)	(resid 66 and name hd#) 4.0 2.2 2.5
assign (resid 61 and name ha)	(resid 108 and name hd2#) 4.0 2.2 2.5
assign (resid 61 and name ha)	(resid 113 and name hb1) 4.0 2.2 1.0
assign (resid 62 and name ha)	(resid 62 and name hb1) 3.0 1.2 0.3
assign (resid 62 and name ha)	(resid 62 and name hb2) 3.0 1.2 0.3
assign (resid 63 and name ha)	(resid 63 and name hb2) 3.0 1.2 0.3
assign (resid 63 and name ha)	(resid 63 and name hb1) 2.5 0.7 0.2
assign (resid 63 and name ha)	(resid 64 and name he1) 4.0 2.2 2.0
assign (resid 64 and name ha)	(resid 37 and name hb#) 4.0 2.2 2.0
assign (resid 64 and name ha)	(resid 37 and name hg#) 4.0 2.2 2.0
assign (resid 64 and name ha)	(resid 64 and name hb1) 3.0 1.2 0.3
assign (resid 64 and name ha)	(resid 64 and name hb2) 3.0 1.2 0.3
assign (resid 64 and name ha)	(resid 64 and name hd2) 4.0 2.2 1.0
assign (resid 65 and name ha)	(resid 60 and name ha) 2.5 0.7 0.2
assign (resid 65 and name ha)	(resid 65 and name hb1) 3.0 1.2 0.3
assign (resid 65 and name ha)	(resid 65 and name hb2) 4.0 2.2 1.0
assign (resid 65 and name ha)	(resid 65 and name hd2#) 3.0 1.2 1.3
assign (resid 65 and name ha)	(resid 66 and name hb) 4.0 2.2 1.0
assign (resid 65 and name ha)	(resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 65 and name ha)	(resid 40 and name hb#) 4.0 2.2 2.5
assign (resid 66 and name ha)	(resid 40 and name hb#) 4.0 2.2 2.5
assign (resid 66 and name ha)	(resid 66 and name hg2#) 3.0 1.2 1.8
assign (resid 66 and name ha)	(resid 66 and name hd#) 4.0 2.2 2.5
assign (resid 66 and name ha)	(resid 66 and name hg1#) 4.0 2.2 2.0
assign (resid 66 and name ha)	(resid 66 and name hb) 4.0 2.2 1.0
assign (resid 66 and name ha)	(resid 35 and name hg2#) 4.0 2.2 2.5
assign (resid 67 and name ha)	(resid 57 and name hb#) 4.0 2.2 2.0
assign (resid 67 and name ha)	(resid 58 and name ha) 3.0 1.2 0.3
assign (resid 67 and name ha)	(resid 67 and name hb1) 4.0 2.2 1.0
assign (resid 67 and name ha)	(resid 67 and name hb2) 3.0 1.2 0.3
assign (resid 67 and name ha)	(resid 67 and name hg) 4.0 2.2 1.0
assign (resid 67 and name ha)	(resid 67 and name hd1#) 3.0 1.2 1.8
assign (resid 67 and name ha)	(resid 67 and name hd2#) 4.0 2.2 2.5
assign (resid 68 and name ha)	(resid 68 and name hb#) 3.0 1.2 1.3
assign (resid 68 and name ha)	(resid 32 and name hb#) 3.0 1.2 1.8
assign (resid 69 and name ha)	(resid 53 and name hg1#) 4.0 2.2 2.5
assign (resid 69 and name ha)	(resid 56 and name ha) 3.0 1.2 0.3
assign (resid 69 and name ha)	(resid 56 and name hb) 4.0 2.2 1.0
assign (resid 69 and name ha)	(resid 69 and name hb1) 3.0 1.2 0.3
assign (resid 69 and name ha)	(resid 69 and name hb2) 3.0 1.2 0.3
assign (resid 70 and name ha)	(resid 70 and name hb1) 3.0 1.2 0.3
assign (resid 70 and name ha)	(resid 70 and name hb2) 4.0 2.2 1.0
assign (resid 70 and name ha)	(resid 70 and name hg) 3.0 1.2 0.3
assign (resid 71 and name ha)	(resid 47 and name hg2#) 4.0 2.2 2.5
assign (resid 71 and name ha)	(resid 53 and name hg1#) 4.0 2.2 2.5
assign (resid 71 and name ha)	(resid 54 and name hb) 4.0 2.2 1.0
assign (resid 71 and name ha)	(resid 71 and name hb) 3.0 1.2 0.3
assign (resid 71 and name ha)	(resid 71 and name hg2#) 3.0 1.2 1.8
assign (resid 71 and name ha)	(resid 72 and name hd1) 3.0 1.2 0.3
assign (resid 71 and name ha)	(resid 72 and name hd2) 3.0 1.2 0.3
assign (resid 73 and name ha)	(resid 73 and name hb#) 2.5 0.7 1.2
assign (resid 73 and name ha)	(resid 73 and name hd2) 4.0 2.2 1.0
assign (resid 73 and name ha)	(resid 74 and name hb#) 4.0 2.2 2.0
assign (resid 74 and name ha)	(resid 29 and name hb#) 3.0 1.2 1.8
assign (resid 74 and name ha)	(resid 74 and name hb#) 3.0 1.2 1.3
assign (resid 74 and name ha)	(resid 74 and name hg#) 3.0 1.2 1.3
assign (resid 74 and name ha)	(resid 74 and name hd#) 4.0 2.2 2.0
assign (resid 74 and name ha)	(resid 75 and name hd2) 4.0 2.2 1.0
assign (resid 75 and name ha)	(resid 27 and name hg2#) 4.0 2.2 2.5
assign (resid 75 and name ha)	(resid 75 and name hb2) 4.0 2.2 1.0
assign (resid 75 and name ha)	(resid 75 and name hb1) 3.0 1.2 0.3
assign (resid 75 and name ha)	(resid 75 and name hd2) 4.0 2.2 1.0
assign (resid 75 and name ha)	(resid 76 and name hb#) 4.0 2.2 2.0
assign (resid 75 and name ha)	(resid 79 and name hb#) 4.0 2.2 2.5
assign (resid 75 and name ha)	(resid 80 and name hd#) 4.0 2.2 2.5
assign (resid 76 and name ha)	(resid 27 and name hb) 4.0 2.2 1.0
assign (resid 76 and name ha)	(resid 27 and name hg2#) 3.0 1.2 1.8
assign (resid 76 and name ha)	(resid 76 and name hb#) 3.0 1.2 1.3
assign (resid 76 and name ha)	(resid 76 and name hg#) 3.0 1.2 1.3
assign (resid 76 and name ha)	(resid 76 and name hd#) 4.0 2.2 2.0
assign (resid 77 and name ha)	(resid 77 and name hb) 3.0 1.2 0.3
assign (resid 77 and name ha)	(resid 77 and name hg1#) 2.5 0.7 1.7
assign (resid 77 and name ha)	(resid 77 and name hg2#) 3.0 1.2 1.8
assign (resid 77 and name ha)	(resid 80 and name hb) 3.0 1.2 0.3
assign (resid 77 and name ha)	(resid 80 and name hg2#) 4.0 2.2 2.5
assign (resid 77 and name ha)	(resid 80 and name hd#) 4.0 2.2 2.5
assign (resid 78 and name ha)	(resid 23 and name ha) 4.0 2.2 1.0
assign (resid 78 and name ha)	(resid 77 and name hg1#) 4.0 2.2 2.5
assign (resid 78 and name ha)	(resid 77 and name hb) 4.0 2.2 1.0
assign (resid 78 and name ha)	(resid 78 and name hb#) 2.5 0.7 1.2
assign (resid 78 and name ha)	(resid 81 and name hb1) 2.5 0.7 0.2
assign (resid 78 and name ha)	(resid 81 and name hb2) 3.0 1.2 0.3
assign (resid 78 and name ha)	(resid 81 and name hd2#) 4.0 2.2 2.0
assign (resid 79 and name ha)	(resid 79 and name hb#) 2.5 0.7 1.7
assign (resid 79 and name ha)	(resid 82 and name hb#) 3.0 1.2 1.3
assign (resid 80 and name ha)	(resid 79 and name hb#) 4.0 2.2 2.5
assign (resid 80 and name ha)	(resid 80 and name hb) 3.0 1.2 0.3
assign (resid 80 and name ha)	(resid 80 and name hg1#) 4.0 2.2 2.0
assign (resid 80 and name ha)	(resid 80 and name hd#) 2.5 0.7 1.7
assign (resid 80 and name ha)	(resid 80 and name hg2#) 2.5 0.7 1.7
assign (resid 80 and name ha)	(resid 83 and name hb1) 3.0 1.2 0.3
assign (resid 80 and name ha)	(resid 83 and name hb2) 4.0 2.2 1.0
assign (resid 81 and name ha)	(resid 80 and name hg2#) 4.0 2.2 2.5
assign (resid 81 and name ha)	(resid 81 and name hb2) 2.5 0.7 0.2
assign (resid 81 and name ha)	(resid 81 and name hb1) 3.0 1.2 0.3
assign (resid 81 and name ha)	(resid 84 and name hb#) 4.0 2.2 2.5
assign (resid 81 and name ha)	(resid 95 and name hb1) 4.0 2.2 1.0
assign (resid 82 and name ha)	(resid 82 and name hb#) 2.5 0.7 1.2
assign (resid 82 and name ha)	(resid 85 and name hg#) 4.0 2.2 2.0
assign (resid 82 and name ha)	(resid 85 and name hb#) 2.5 0.7 1.2
assign (resid 83 and name ha)	(resid 87 and name hd1#) 4.0 2.2 2.5
assign (resid 83 and name ha)	(resid 83 and name hb2) 2.5 0.7 0.2
assign (resid 83 and name ha)	(resid 83 and name hb1) 3.0 1.2 0.3
assign (resid 83 and name ha)	(resid 86 and name hb#) 4.0 2.2 2.0
assign (resid 84 and name ha)	(resid 83 and name ha) 4.0 2.2 1.0
assign (resid 84 and name ha)	(resid 84 and name hb#) 2.5 0.7 1.7
assign (resid 84 and name ha)	(resid 87 and name hd1#) 3.0 1.2 1.8
assign (resid 84 and name ha)	(resid 87 and name hd2#) 4.0 2.2 2.5
assign (resid 84 and name ha)	(resid 87 and name hb1) 4.0 2.2 1.0
assign (resid 84 and name ha)	(resid 87 and name hb2) 3.0 1.2 0.3
assign (resid 85 and name ha)	(resid 88 and name hb#) 3.0 1.2 1.3
assign (resid 85 and name ha)	(resid 93 and name hd1#) 2.5 0.7 1.7
assign (resid 85 and name ha)	(resid 85 and name hb#) 3.0 1.2 1.3
assign (resid 85 and name ha)	(resid 85 and name hg#) 4.0 2.2 2.0
assign (resid 86 and name ha)	(resid 89 and name hg2#) 4.0 2.2 2.5
assign (resid 86 and name ha)	(resid 86 and name hb#) 3.0 1.2 1.3
assign (resid 86 and name ha)	(resid 86 and name hg#) 3.0 1.2 1.3
assign (resid 87 and name ha)	(resid 87 and name hd2#) 2.5 0.7 1.7
assign (resid 87 and name ha)	(resid 87 and name hd1#) 3.0 1.2 1.8
assign (resid 87 and name ha)	(resid 87 and name hb1) 3.0 1.2 0.3
assign (resid 87 and name ha)	(resid 87 and name hb2) 4.0 2.2 1.0
assign (resid 88 and name ha)	(resid 88 and name hb1) 3.0 1.2 0.3
assign (resid 88 and name ha)	(resid 88 and name hb2) 3.0 1.2 0.3
assign (resid 88 and name ha)	(resid 39 and name he#) 4.0 2.2 2.0
assign (resid 88 and name ha)	(resid 89 and name ha) 4.0 2.2 1.0
assign (resid 88 and name ha)	(resid 89 and name hg2#) 4.0 2.2 2.5
assign (resid 88 and name ha)	(resid 93 and name hb#) 3.0 1.2 1.3
assign (resid 89 and name ha)	(resid 89 and name hg2#) 3.0 1.2 1.8
assign (resid 90 and name ha)	(resid 90 and name hb#) 2.5 0.7 1.2
assign (resid 91 and name ha)	(resid 91 and name hb#) 2.5 0.7 1.2
assign (resid 91 and name ha)	(resid 36 and name hg2#) 4.0 2.2 2.5
assign (resid 92 and name ha)	(resid 92 and name hb1) 4.0 2.2 1.0
assign (resid 92 and name ha)	(resid 92 and name hb2) 3.0 1.2 0.3
assign (resid 93 and name ha)	(resid 35 and name hb) 4.0 2.2 1.0
assign (resid 93 and name ha)	(resid 93 and name hb1) 4.0 2.2 1.0
assign (resid 93 and name ha)	(resid 93 and name hb2) 4.0 2.2 1.0
assign (resid 93 and name ha)	(resid 93 and name hd1#) 3.0 1.2 1.8
assign (resid 93 and name ha)	(resid 93 and name hd2#) 4.0 2.2 2.5
assign (resid 94 and name ha)	(resid 94 and name hb) 3.0 1.2 0.3
assign (resid 94 and name ha)	(resid 94 and name hg1#) 4.0 2.2 2.0
assign (resid 94 and name ha)	(resid 94 and name hd#) 3.0 1.2 1.8
assign (resid 94 and name ha)	(resid 94 and name hg2#) 3.0 1.2 1.8
assign (resid 95 and name ha)	(resid 33 and name ha) 3.0 1.2 0.3
assign (resid 95 and name ha)	(resid 33 and name hg1#) 4.0 2.2 2.0
assign (resid 95 and name ha)	(resid 33 and name hb) 4.0 2.2 1.0
assign (resid 95 and name ha)	(resid 33 and name hg2#) 3.0 1.2 1.8
assign (resid 95 and name ha)	(resid 35 and name hg2#) 3.0 1.2 1.8
assign (resid 95 and name ha)	(resid 93 and name hd1#) 4.0 2.2 2.5
assign (resid 95 and name ha)	(resid 95 and name hb1) 4.0 2.2 1.0
assign (resid 95 and name ha)	(resid 95 and name hb2) 3.0 1.2 0.3
assign (resid 96 and name ha)	(resid 96 and name hb#) 3.0 1.2 1.3
assign (resid 96 and name ha)	(resid 77 and name hg1#) 3.0 1.2 1.8
assign (resid 96 and name ha)	(resid 77 and name hg2#) 4.0 2.2 2.5
assign (resid 96 and name ha)	(resid 22 and name hg1#) 4.0 2.2 2.5
assign (resid 97 and name ha1)	(resid 77 and name hg2#) 4.0 2.2 2.5
assign (resid 97 and name ha2)	(resid 77 and name hg2#) 4.0 2.2 2.5
assign (resid 98 and name ha)	(resid 98 and name hg1#) 3.0 1.2 1.8
assign (resid 98 and name ha)	(resid 98 and name hg2#) 3.0 1.2 1.8
assign (resid 98 and name ha)	(resid 98 and name hb) 3.0 1.2 0.3
assign (resid 99 and name ha)	(resid 99 and name hb#) 2.5 0.7 1.2
assign (resid 100 and name ha)	(resid 100 and name hb#) 3.0 1.2 1.3
assign (resid 101 and name ha)	(resid 98 and name hg1#) 3.0 1.2 1.8
assign (resid 101 and name ha)	(resid 98 and name hb) 4.0 2.2 1.0
assign (resid 101 and name ha)	(resid 101 and name hb#) 3.0 1.2 1.3
assign (resid 101 and name ha)	(resid 101 and name hg#) 4.0 2.2 2.0
assign (resid 102 and name ha)	(resid 102 and name hb1) 4.0 2.2 1.0
assign (resid 102 and name ha)	(resid 102 and name hb2) 3.0 1.2 0.3
assign (resid 102 and name ha)	(resid 124 and name hd2#) 4.0 2.2 2.5
assign (resid 103 and name ha)	(resid 103 and name hb1) 3.0 1.2 0.3
assign (resid 103 and name ha)	(resid 103 and name hg) 3.0 1.2 0.3
assign (resid 103 and name ha)	(resid 103 and name hd1#) 3.0 1.2 1.8
assign (resid 103 and name ha)	(resid 103 and name hd2#) 2.5 0.7 1.7
assign (resid 104 and name ha)	(resid 104 and name hb#) 3.0 1.2 1.3
assign (resid 104 and name ha)	(resid 104 and name hg#) 4.0 2.2 2.0
assign (resid 105 and name ha)	(resid 109 and name hg2#) 3.0 1.2 1.8
assign (resid 107 and name ha)	(resid 107 and name hb#) 2.5 0.7 1.7
assign (resid 107 and name ha)	(resid 110 and name hb#) 3.0 1.2 1.3
assign (resid 107 and name ha)	(resid 110 and name hd#) 4.0 2.2 2.0
assign (resid 108 and name ha)	(resid 108 and name hb1) 3.0 1.2 0.3
assign (resid 108 and name ha)	(resid 108 and name hb2) 4.0 2.2 1.0
assign (resid 108 and name ha)	(resid 108 and name hg) 4.0 2.2 1.0
assign (resid 108 and name ha)	(resid 108 and name hd1#) 4.0 2.2 2.5
assign (resid 108 and name ha)	(resid 108 and name hd2#) 2.5 0.7 1.7
assign (resid 108 and name ha)	(resid 113 and name hb2) 3.0 1.2 0.3
assign (resid 108 and name ha)	(resid 113 and name hb1) 4.0 2.2 1.0
assign (resid 109 and name ha)	(resid 59 and name he1) 4.0 2.2 1.0
assign (resid 109 and name ha)	(resid 109 and name hg2#) 2.5 0.7 1.7
assign (resid 109 and name ha)	(resid 115 and name hg2#) 3.0 1.2 1.8
assign (resid 109 and name ha)	(resid 115 and name hg1#) 4.0 2.2 2.5
assign (resid 109 and name ha)	(resid 115 and name hb) 4.0 2.2 1.0
assign (resid 110 and name ha)	(resid 110 and name hb#) 3.0 1.2 1.3
assign (resid 110 and name ha)	(resid 110 and name hg#) 3.0 1.2 1.3
assign (resid 110 and name ha)	(resid 110 and name hd#) 4.0 2.2 2.0
assign (resid 111 and name ha)	(resid 111 and name hb#) 2.5 0.7 1.2
assign (resid 111 and name ha)	(resid 112 and name ha) 2.5 0.7 0.2
assign (resid 111 and name ha)	(resid 112 and name hb1) 4.0 2.2 1.0
assign (resid 111 and name ha)	(resid 112 and name hb2) 4.0 2.2 1.0
assign (resid 112 and name ha)	(resid 111 and name hb#) 3.0 1.2 1.3
assign (resid 112 and name ha)	(resid 112 and name hb1) 3.0 1.2 0.3
assign (resid 112 and name ha)	(resid 112 and name hb2) 3.0 1.2 0.3
assign (resid 113 and name ha)	(resid 108 and name hd2#) 4.0 2.2 2.5
assign (resid 113 and name ha)	(resid 113 and name hb1) 3.0 1.2 0.3
assign (resid 113 and name ha)	(resid 113 and name hb2) 3.0 1.2 0.3
assign (resid 114 and name ha)	(resid 115 and name hg1#) 4.0 2.2 2.5
assign (resid 114 and name ha)	(resid 115 and name hg2#) 4.0 2.2 2.5
assign (resid 114 and name ha)	(resid 114 and name hb#) 3.0 1.2 1.3
assign (resid 115 and name ha)	(resid 59 and name he1) 4.0 2.2 1.0
assign (resid 115 and name ha)	(resid 115 and name hg1#) 2.5 0.7 1.7
assign (resid 115 and name ha)	(resid 115 and name hg2#) 2.5 0.7 1.7
assign (resid 115 and name ha)	(resid 115 and name hb) 3.0 1.2 0.3
assign (resid 116 and name ha)	(resid 116 and name hg2#) 2.5 0.7 1.7
assign (resid 116 and name ha)	(resid 116 and name hd#) 3.0 1.2 1.8
assign (resid 116 and name ha)	(resid 116 and name hb) 3.0 1.2 0.3
assign (resid 116 and name ha)	(resid 116 and name hg1#) 3.0 1.2 1.3
assign (resid 118 and name ha)	(resid 57 and name hb1) 4.0 2.2 1.0
assign (resid 118 and name ha)	(resid 57 and name hb2) 4.0 2.2 1.0
assign (resid 118 and name ha)	(resid 118 and name hb#) 3.0 1.2 1.3
assign (resid 118 and name ha)	(resid 118 and name hg#) 4.0 2.2 2.0
assign (resid 119 and name ha)	(resid 48 and name he#) 4.0 2.2 2.5
assign (resid 119 and name ha)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 119 and name ha)	(resid 119 and name hb#) 2.5 0.7 1.2
assign (resid 120 and name ha)	(resid 121 and name hd#) 2.5 0.7 1.2
assign (resid 120 and name ha)	(resid 121 and name hg#) 4.0 2.2 2.0
assign (resid 120 and name ha)	(resid 120 and name hg) 4.0 2.2 1.0
assign (resid 120 and name ha)	(resid 120 and name hb#) 3.0 1.2 1.3
assign (resid 121 and name ha)	(resid 121 and name hb#) 2.5 0.7 1.2
assign (resid 121 and name ha)	(resid 121 and name hg#) 4.0 2.2 2.0
assign (resid 124 and name ha)	(resid 124 and name hb1) 2.5 0.7 0.2
assign (resid 124 and name ha)	(resid 124 and name hb2) 4.0 2.2 1.0
assign (resid 124 and name ha)	(resid 124 and name hg) 4.0 2.2 1.0
assign (resid 124 and name ha)	(resid 124 and name hd1#) 3.0 1.2 1.8
assign (resid 124 and name ha)	(resid 124 and name hd2#) 2.5 0.7 1.7
assign (resid 125 and name ha)	(resid 125 and name hb#) 2.5 0.7 1.2
assign (resid 125 and name ha)	(resid 125 and name hg#) 3.0 1.2 1.3
assign (resid 128 and name ha)	(resid 128 and name hb#) 2.5 0.7 1.2
assign (resid 129 and name ha)	(resid 129 and name hb1) 2.5 0.7 0.2
assign (resid 129 and name ha)	(resid 129 and name hb2) 3.0 1.2 0.3
assign (resid 130 and name ha)	(resid 130 and name hb#) 2.5 0.7 1.2
assign (resid 130 and name ha)	(resid 131 and name hg#) 4.0 2.2 2.0
assign (resid 130 and name ha)	(resid 131 and name hd#) 2.5 0.7 1.2

!Other NOEs
assign (resid 7 and name hd1)	(resid 6 and name hb#) 4.0 2.2 2.0
assign (resid 7 and name hd1)	(resid 7 and name hg#) 3.0 1.2 1.3
assign (resid 7 and name hd2)	(resid 6 and name hb#) 4.0 2.2 2.0
assign (resid 7 and name hd2)	(resid 7 and name hg#) 3.0 1.2 1.3
assign (resid 20 and name hd2)	(resid 18 and name hb#) 4.0 2.2 2.0
assign (resid 20 and name hd2)	(resid 20 and name he1) 4.0 2.2 1.0
assign (resid 20 and name hd2)	(resid 20 and name hb#) 3.0 1.2 1.3
assign (resid 20 and name he1)	(resid 15 and name hb1) 4.0 2.2 1.0
assign (resid 20 and name he1)	(resid 15 and name hb2) 4.0 2.2 1.0
assign (resid 20 and name he1)	(resid 15 and name hg) 4.0 2.2 1.0
assign (resid 20 and name he1)	(resid 18 and name hb#) 3.0 1.2 1.3
assign (resid 20 and name he1)	(resid 18 and name hg) 4.0 2.2 1.0
assign (resid 22 and name hg)	(resid 22 and name hg2#) 2.5 0.7 1.7
assign (resid 22 and name hg)	(resid 22 and name hg1#) 3.0 1.2 1.8
assign (resid 23 and name hb#)	(resid 22 and name hg1#) 4.0 2.2 3.5
assign (resid 24 and name hb#)	(resid 21 and name hb#) 2.5 0.7 2.7
assign (resid 25 and name hd21)	(resid 25 and name hb#) 4.0 2.2 2.0
assign (resid 25 and name hd22)	(resid 25 and name hb#) 4.0 2.2 2.0
assign (resid 27 and name hb)	(resid 27 and name hg2#) 2.5 0.7 1.7
assign (resid 27 and name hb)	(resid 74 and name hb#) 3.0 1.2 1.3
assign (resid 27 and name hg2#)	(resid 74 and name hd#) 4.0 2.2 3.5
assign (resid 27 and name hg2#)	(resid 76 and name hb#) 4.0 2.2 3.5
assign (resid 27 and name hg2#)	(resid 76 and name hg#) 4.0 2.2 3.5
assign (resid 32 and name hb#)	(resid 98 and name hg2#) 3.0 1.2 3.3
assign (resid 33 and name hd#)	(resid 80 and name hd#) 4.0 2.2 4.0
assign (resid 33 and name hd#)	(resid 47 and name hg2#) 4.0 2.2 4.0
assign (resid 35 and name hb)	(resid 35 and name hg2#) 2.5 0.7 1.7
assign (resid 35 and name hb)	(resid 33 and name hg2#) 3.0 1.2 1.8
assign (resid 35 and name hb)	(resid 93 and name hd1#) 3.0 1.2 1.8
assign (resid 35 and name hb)	(resid 93 and name hd2#) 4.0 2.2 2.5
assign (resid 35 and name hb)	(resid 93 and name hb#) 4.0 2.2 2.0
assign (resid 35 and name hg2#)	(resid 33 and name hg2#) 3.0 1.2 3.3
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assign (resid 35 and name hg2#)	(resid 40 and name hb#) 3.0 1.2 3.3
assign (resid 35 and name hg2#)	(resid 93 and name hd2#) 3.0 1.2 3.3
assign (resid 36 and name hb)	(resid 36 and name hg2#) 2.5 0.7 1.7
assign (resid 36 and name hb)	(resid 37 and name hb#) 4.0 2.2 2.0
assign (resid 40 and name hb#)	(resid 33 and name hg2#) 4.0 2.2 4.0
assign (resid 40 and name hb#)	(resid 58 and name hd1) 3.0 1.2 1.8
assign (resid 40 and name hb#)	(resid 58 and name hd2) 3.0 1.2 1.8
assign (resid 40 and name hb#)	(resid 67 and name hd1#) 4.0 2.2 4.0
assign (resid 40 and name hb#)	(resid 67 and name hd2#) 4.0 2.2 4.0
assign (resid 40 and name hb#)	(resid 67 and name hb1) 4.0 2.2 2.5
assign (resid 40 and name hb#)	(resid 67 and name hb2) 3.0 1.2 1.8
assign (resid 41 and name hb#)	(resid 44 and name hb#) 4.0 2.2 3.5
assign (resid 41 and name hb#)	(resid 58 and name hd1) 4.0 2.2 2.5
assign (resid 41 and name hb#)	(resid 58 and name hd2) 4.0 2.2 2.5
assign (resid 47 and name hg2#)	(resid 56 and name hd#) 3.0 1.2 3.3
assign (resid 47 and name hg2#)	(resid 47 and name hd#) 3.0 1.2 3.3
assign (resid 47 and name hg2#)	(resid 47 and name hb) 2.5 0.7 1.7
assign (resid 47 and name hg2#)	(resid 47 and name hg11) 3.0 1.2 1.8
assign (resid 47 and name hg2#)	(resid 47 and name hg12) 3.0 1.2 1.8
assign (resid 47 and name hg2#)	(resid 53 and name hg1#) 3.0 1.2 3.3
assign (resid 47 and name hg2#)	(resid 53 and name hg2#) 4.0 2.2 4.0
assign (resid 47 and name hg2#)	(resid 67 and name hd1#) 4.0 2.2 4.0
assign (resid 47 and name hg2#)	(resid 67 and name hd2#) 4.0 2.2 4.0
assign (resid 47 and name hd#)	(resid 33 and name hd#) 3.0 1.2 3.3
assign (resid 47 and name hd#)	(resid 43 and name hb#) 3.0 1.2 2.8
assign (resid 47 and name hd#)	(resid 47 and name hb) 3.0 1.2 1.8
assign (resid 47 and name hd#)	(resid 47 and name hg1#) 2.5 0.7 2.7
assign (resid 47 and name hd#)	(resid 67 and name hd1#) 4.0 2.2 4.0
assign (resid 47 and name hd#)	(resid 67 and name hd2#) 3.0 1.2 3.3
assign (resid 48 and name hg#)	(resid 48 and name he#) 3.0 1.2 2.8
assign (resid 48 and name hg#)	(resid 53 and name hg1#) 4.0 2.2 3.5
assign (resid 48 and name hg#)	(resid 53 and name hg2#) 4.0 2.2 3.5
assign (resid 48 and name hg1)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 48 and name hg2)	(resid 56 and name hg2#) 4.0 2.2 2.5
assign (resid 48 and name he#)	(resid 53 and name hg2#) 4.0 2.2 4.0
assign (resid 48 and name he#)	(resid 56 and name hg2#) 3.0 1.2 3.3
assign (resid 50 and name he1)	(resid 50 and name hg#) 4.0 2.2 2.0
assign (resid 50 and name he2)	(resid 50 and name hg#) 4.0 2.2 2.0
assign (resid 50 and name he#)	(resid 50 and name hd#) 2.5 0.7 2.2
assign (resid 50 and name hg#)	(resid 50 and name hb#) 3.0 1.2 2.3
assign (resid 50 and name hg#)	(resid 50 and name hd#) 3.0 1.2 2.3
assign (resid 53 and name hg1#)	(resid 71 and name hg2#) 3.0 1.2 3.3
assign (resid 54 and name hb)	(resid 54 and name hg2#) 2.5 0.7 1.7
assign (resid 54 and name hb)	(resid 70 and name hb#) 4.0 2.2 2.0
assign (resid 56 and name hg2#)	(resid 48 and name hg#) 4.0 2.2 3.5
assign (resid 56 and name hg2#)	(resid 48 and name hb#) 4.0 2.2 3.5
assign (resid 56 and name hg2#)	(resid 53 and name hg2#) 3.0 1.2 3.3
assign (resid 56 and name hg2#)	(resid 56 and name hg1#) 3.0 1.2 2.8
assign (resid 56 and name hg2#)	(resid 56 and name hb) 3.0 1.2 1.8
assign (resid 56 and name hd#)	(resid 56 and name hb) 3.0 1.2 1.8
assign (resid 56 and name hd#)	(resid 56 and name hg1#) 3.0 1.2 2.8
assign (resid 57 and name hb#)	(resid 118 and name hb#) 3.0 1.2 2.3
assign (resid 59 and name he1)	(resid 108 and name hb#) 4.0 2.2 2.0
assign (resid 59 and name he1)	(resid 108 and name hd1#) 4.0 2.2 2.5
assign (resid 59 and name he1)	(resid 109 and name hg2#) 2.5 0.7 1.7
assign (resid 59 and name he1)	(resid 115 and name hg1#) 2.5 0.7 1.7
assign (resid 59 and name he1)	(resid 115 and name hg2#) 2.5 0.7 1.7
assign (resid 59 and name he1)	(resid 115 and name hb) 4.0 2.2 1.0
assign (resid 59 and name hd2)	(resid 108 and name hd1#) 3.0 1.2 1.8
assign (resid 59 and name hd2)	(resid 108 and name hd2#) 4.0 2.2 2.5
assign (resid 60 and name hd21)	(resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 60 and name hd22)	(resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 60 and name hd2#)	(resid 116 and name hg1#) 4.0 2.2 3.0
assign (resid 60 and name hd21)	(resid 60 and name hb1) 4.0 2.2 1.0
assign (resid 60 and name hd21)	(resid 60 and name hb2) 4.0 2.2 1.0
assign (resid 60 and name hd22)	(resid 60 and name hb1) 4.0 2.2 1.0
assign (resid 60 and name hd22)	(resid 60 and name hb2) 4.0 2.2 1.0
assign (resid 61 and name hb1)	(resid 66 and name hd#) 4.0 2.2 2.5
assign (resid 61 and name hb2)	(resid 66 and name hd#) 4.0 2.2 2.5
assign (resid 63 and name hd21)	(resid 63 and name hb1) 4.0 2.2 1.0
assign (resid 63 and name hd21)	(resid 63 and name hb2) 4.0 2.2 1.0
assign (resid 63 and name hd22)	(resid 63 and name hb1) 4.0 2.2 1.0
assign (resid 63 and name hd22)	(resid 63 and name hb2) 4.0 2.2 1.0
assign (resid 64 and name hd2)	(resid 7 and name hg#) 4.0 2.2 2.0
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assign (resid 64 and name hd2)	(resid 36 and name hg2#) 4.0 2.2 2.5
assign (resid 64 and name hd2)	(resid 36 and name hb) 4.0 2.2 1.0
assign (resid 64 and name hd2)	(resid 63 and name hb1) 4.0 2.2 1.0
assign (resid 64 and name hd2)	(resid 63 and name hb2) 4.0 2.2 1.0
assign (resid 64 and name hd2)	(resid 64 and name hb#) 3.0 1.2 1.3
assign (resid 64 and name hd2)	(resid 64 and name he1) 4.0 2.2 1.0
assign (resid 64 and name he1)	(resid 7 and name hd#) 4.0 2.2 2.0
assign (resid 64 and name he1)	(resid 36 and name hg2#) 3.0 1.2 1.8
assign (resid 64 and name he1)	(resid 61 and name hb) 4.0 2.2 1.0
assign (resid 64 and name he1)	(resid 63 and name hb1) 4.0 2.2 1.0
assign (resid 64 and name he1)	(resid 63 and name hb2) 4.0 2.2 1.0
assign (resid 65 and name hb1)	(resid 40 and name hb#) 3.0 1.2 1.8
assign (resid 65 and name hb2)	(resid 40 and name hb#) 4.0 2.2 2.5
assign (resid 65 and name hd2#)	(resid 65 and name hb#) 4.0 2.2 3.0
assign (resid 65 and name hd21) (resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 65 and name hd22) (resid 116 and name hd#) 4.0 2.2 2.5
assign (resid 65 and name hd2#)	(resid 60 and name hb#) 4.0 2.2 3.0
assign (resid 66 and name hg2#) (resid 66 and name hb) 3.0 1.2 1.8
assign (resid 66 and name hg2#) (resid 66 and name hg1#) 3.0 1.2 2.8
assign (resid 66 and name hd#)	(resid 11 and name hd#) 4.0 2.2 3.5
assign (resid 66 and name hd#)	(resid 66 and name hg1#) 3.0 1.2 2.8
assign (resid 66 and name hd#)	(resid 66 and name hb) 3.0 1.2 1.8
assign (resid 67 and name hd1#)	(resid 44 and name hb#) 4.0 2.2 3.5
assign (resid 67 and name hd1#)	(resid 58 and name hd#) 4.0 2.2 3.5
assign (resid 67 and name hd2#)	(resid 44 and name hb#) 4.0 2.2 3.5
assign (resid 71 and name hb)	(resid 51 and name hb#) 4.0 2.2 2.0
assign (resid 71 and name hb)	(resid 71 and name hg2#) 2.5 0.7 1.7
assign (resid 71 and name hb)	(resid 72 and name hd#) 3.0 1.2 1.3
assign (resid 71 and name hg2#)	(resid 51 and name hb#) 3.0 1.2 2.8
assign (resid 71 and name hg2#)	(resid 72 and name hd#) 4.0 2.2 3.5
assign (resid 71 and name hg2#)	(resid 80 and name hd#) 4.0 2.2 4.0
assign (resid 71 and name hg2#)	(resid 80 and name hg1#) 3.0 1.2 2.8
assign (resid 73 and name hd2)	(resid 73 and name hb#) 3.0 1.2 1.3
assign (resid 73 and name he1)	(resid 73 and name hb#) 4.0 2.2 2.0
assign (resid 73 and name he1)	(resid 73 and name hd2) 4.0 2.2 1.0
assign (resid 73 and name he1)	(resid 75 and name hd2) 4.0 2.2 1.0
assign (resid 73 and name he1)	(resid 80 and name hd#) 4.0 2.2 2.5
assign (resid 73 and name hb#)	(resid 74 and name hb#) 4.0 2.2 3.0
assign (resid 74 and name hd1)	(resid 29 and name hb#) 4.0 2.2 2.5
assign (resid 74 and name hd2)	(resid 29 and name hb#) 4.0 2.2 2.5
assign (resid 75 and name he1)	(resid 75 and name hd2) 4.0 2.2 1.0
assign (resid 75 and name hd2)	(resid 29 and name ha) 3.0 1.2 0.3
assign (resid 75 and name hd2)	(resid 29 and name hb#) 4.0 2.2 2.5
assign (resid 75 and name hd2)	(resid 71 and name hb) 4.0 2.2 1.0
assign (resid 75 and name hd2)	(resid 71 and name hg2#) 3.0 1.2 1.8
assign (resid 75 and name hd2)	(resid 75 and name hb#) 3.0 1.2 1.3
assign (resid 75 and name hd2)	(resid 80 and name hd#) 4.0 2.2 2.5
assign (resid 75 and name hd2)	(resid 80 and name hg2#) 4.0 2.2 2.5
assign (resid 75 and name hd2)	(resid 80 and name hg1#) 4.0 2.2 2.0
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assign (resid 76 and name hd2)	(resid 27 and name hg2#) 4.0 2.2 2.5
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assign (resid 77 and name hg2#)	(resid 80 and name hd#) 4.0 2.2 4.0
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assign (resid 79 and name hb#)	(resid 80 and name hd#) 3.0 1.2 3.3
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assign (resid 80 and name hg2#)	(resid 71 and name hg2#) 3.0 1.2 3.3
assign (resid 80 and name hg2#)	(resid 75 and name hb#) 4.0 2.2 3.5
assign (resid 80 and name hg2#)	(resid 80 and name hd#) 3.0 1.2 3.3
assign (resid 80 and name hg2#)	(resid 80 and name hg1#) 3.0 1.2 2.8
assign (resid 80 and name hg2#)	(resid 80 and name hb) 2.5 0.7 1.7
assign (resid 80 and name hd#)	(resid 75 and name hb1) 3.0 1.2 1.8
assign (resid 80 and name hd#)	(resid 75 and name hb2) 3.0 1.2 1.8
assign (resid 80 and name hd#)	(resid 80 and name hg1#) 3.0 1.2 2.8
assign (resid 80 and name hd#)	(resid 80 and name hb) 3.0 1.2 1.8
assign (resid 81 and name hd21)	(resid 81 and name hb1) 4.0 2.2 1.0
assign (resid 81 and name hd21)	(resid 81 and name hb2) 4.0 2.2 1.0
assign (resid 81 and name hd22)	(resid 81 and name hb1) 4.0 2.2 1.0
assign (resid 81 and name hd22)	(resid 81 and name hb2) 4.0 2.2 1.0
assign (resid 82 and name hd2#)	(resid 79 and name hb#) 4.0 2.2 3.5
assign (resid 82 and name hd21)	(resid 82 and name ha) 4.0 2.2 1.0
assign (resid 82 and name hd21)	(resid 82 and name hb1) 4.0 2.2 1.0
assign (resid 82 and name hd21)	(resid 82 and name hb2) 4.0 2.2 1.0
assign (resid 82 and name hd22)	(resid 82 and name ha) 4.0 2.2 1.0
assign (resid 82 and name hd22)	(resid 82 and name hb1) 4.0 2.2 1.0
assign (resid 82 and name hd22)	(resid 82 and name hb2) 4.0 2.2 1.0
assign (resid 84 and name hb#)	(resid 33 and name hd#) 3.0 1.2 3.3
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assign (resid 84 and name hb#)	(resid 95 and name hb2) 4.0 2.2 2.5
assign (resid 85 and name he21)	(resid 93 and name hd1#) 4.0 2.2 2.5
assign (resid 85 and name he22)	(resid 93 and name hd1#) 4.0 2.2 2.5
assign (resid 85 and name he21)	(resid 85 and name hb#) 4.0 2.2 2.0
assign (resid 85 and name he22)	(resid 85 and name hb#) 4.0 2.2 2.0
assign (resid 85 and name he2#)	(resid 85 and name hg1) 3.0 1.2 1.5
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assign (resid 88 and name hb1)	(resid 93 and name hd1#) 4.0 2.2 2.5
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assign (resid 99 and name hd22)	(resid 19 and name hb#) 4.0 2.2 2.0
assign (resid 99 and name hd21)	(resid 99 and name hb#) 4.0 2.2 2.0
assign (resid 99 and name hd22)	(resid 99 and name hb#) 4.0 2.2 2.0
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assign (resid 105 and name hb#)	(resid 108 and name hg) 4.0 2.2 2.0
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assign (resid 108 and name hd2#) (resid 66 and name hb) 3.0 1.2 1.8
assign (resid 108 and name hd2#) (resid 108 and name hb1) 3.0 1.2 1.8
assign (resid 108 and name hd2#) (resid 108 and name hg) 2.5 0.7 1.7
assign (resid 109 and name hb)	(resid 109 and name hg2#) 3.0 1.2 1.8
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assign (resid 121 and name hd1)	(resid 120 and name hg) 4.0 2.2 1.0
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assign (resid 124 and name hd1#) (resid 124 and name hg) 3.0 1.2 1.8
assign (resid 124 and name hd2#) (resid 124 and name hb1) 3.0 1.2 1.8
assign (resid 124 and name hd2#) (resid 124 and name hg) 3.0 1.2 1.8
assign (resid 127 and name hd2) (resid 127 and name hb#) 3.0 1.2 1.3
assign (resid 127 and name hd2) (resid 127 and name ha) 4.0 2.2 1.0
assign (resid 127 and name hd2) (resid 127 and name he1) 4.0 2.2 1.0
assign (resid 127 and name he1) (resid 125 and name ha) 4.0 2.2 1.0
assign (resid 127 and name he1) (resid 125 and name hg#) 4.0 2.2 2.0
assign (resid 127 and name he1) (resid 125 and name hb1) 4.0 2.2 1.0
assign (resid 127 and name he1) (resid 125 and name hb2) 4.0 2.2 1.0
assign (resid 130 and name hd2#) (resid 130 and name hb#) 3.0 1.2 2.3

!Hydrogen-bonds
assign (resid  14 and name  hn )  (resid  11 and name  o )   1.9 0.4 0.4
assign (resid  14 and name   n )  (resid  11 and name  o )   2.8 0.4 0.5
assign (resid  15 and name  hn )  (resid  12 and name  o )   1.9 0.4 0.4
assign (resid  15 and name   n )  (resid  12 and name  o )   2.8 0.4 0.5
assign (resid  31 and name  hn )  (resid  69 and name  o )   1.9 0.4 0.4
assign (resid  31 and name   n )  (resid  69 and name  o )   2.8 0.4 0.5
assign (resid  32 and name  hn )  (resid  96 and name  o )   1.9 0.4 0.4
assign (resid  32 and name   n )  (resid  96 and name  o )   2.8 0.4 0.5
assign (resid  33 and name  hn )  (resid  67 and name  o )   1.9 0.4 0.4
assign (resid  33 and name   n )  (resid  67 and name  o )   2.8 0.4 0.5
assign (resid  34 and name  hn )  (resid  94 and name  o )   1.9 0.4 0.4
assign (resid  34 and name   n )  (resid  94 and name  o )   2.8 0.4 0.5
assign (resid  35 and name  hn )  (resid  65 and name  o )   1.9 0.4 0.4
assign (resid  35 and name   n )  (resid  65 and name  o )   2.8 0.4 0.5
assign (resid  40 and name  hn )  (resid  36 and name  o )   1.9 0.4 0.4
assign (resid  40 and name   n )  (resid  36 and name  o )   2.8 0.4 0.5
assign (resid  43 and name  hn )  (resid  39 and name  o )   1.9 0.4 0.4
assign (resid  43 and name   n )  (resid  39 and name  o )   2.8 0.4 0.5
assign (resid  44 and name  hn )  (resid  40 and name  o )   1.9 0.4 0.4
assign (resid  44 and name   n )  (resid  40 and name  o )   2.8 0.4 0.5
assign (resid  47 and name  hn )  (resid  43 and name  o )   1.9 0.4 0.4
assign (resid  47 and name   n )  (resid  43 and name  o )   2.8 0.4 0.5
assign (resid  48 and name  hn )  (resid  44 and name  o )   1.9 0.4 0.4
assign (resid  48 and name   n )  (resid  44 and name  o )   2.8 0.4 0.5
assign (resid  57 and name  hn )  (resid  68 and name  o )   1.9 0.4 0.4
assign (resid  57 and name   n )  (resid  68 and name  o )   2.8 0.4 0.5
assign (resid  58 and name  hn )  (resid  117 and name  o )   1.9 0.4 0.4
assign (resid  58 and name   n )  (resid  117 and name  o )   2.8 0.4 0.5
assign (resid  59 and name  hn )  (resid  66 and name  o )   1.9 0.4 0.4
assign (resid  59 and name   n )  (resid  66 and name  o )   2.8 0.4 0.5
assign (resid  60 and name  hn )  (resid  114 and name  o )   1.9 0.4 0.4
assign (resid  60 and name   n )  (resid  114 and name  o )   2.8 0.4 0.5
assign (resid  65 and name  hn )  (resid  35 and name  o )   1.9 0.4 0.4
assign (resid  65 and name   n )  (resid  35 and name  o )   2.8 0.4 0.5
assign (resid  66 and name  hn )  (resid  59 and name  o )   1.9 0.4 0.4
assign (resid  66 and name   n )  (resid  59 and name  o )   2.8 0.4 0.5
assign (resid  67 and name  hn )  (resid  33 and name  o )   1.9 0.4 0.4
assign (resid  67 and name   n )  (resid  33 and name  o )   2.8 0.4 0.5
assign (resid  68 and name  hn )  (resid  57 and name  o )   1.9 0.4 0.4
assign (resid  68 and name   n )  (resid  57 and name  o )   2.8 0.4 0.5
assign (resid  69 and name  hn )  (resid  31 and name  o )   1.9 0.4 0.4
assign (resid  69 and name   n )  (resid  31 and name  o )   2.8 0.4 0.5
assign (resid  70 and name  hn )  (resid  55 and name  o )   1.9 0.4 0.4
assign (resid  70 and name   n )  (resid  55 and name  o )   2.8 0.4 0.5
assign (resid  71 and name  hn )  (resid  29 and name  o )   1.9 0.4 0.4
assign (resid  71 and name   n )  (resid  29 and name  o )   2.8 0.4 0.5
assign (resid  80 and name  hn )  (resid  76 and name  o )   1.9 0.4 0.4
assign (resid  80 and name   n )  (resid  76 and name  o )   2.8 0.4 0.5
assign (resid  81 and name  hn )  (resid  77 and name  o )   1.9 0.4 0.4
assign (resid  81 and name   n )  (resid  77 and name  o )   2.8 0.4 0.5
assign (resid  84 and name  hn )  (resid  80 and name  o )   1.9 0.4 0.4
assign (resid  84 and name   n )  (resid  80 and name  o )   2.8 0.4 0.5
assign (resid  85 and name  hn )  (resid  81 and name  o )   1.9 0.4 0.4
assign (resid  85 and name   n )  (resid  81 and name  o )   2.8 0.4 0.5
assign (resid  94 and name  hn )  (resid  34 and name  o )   1.9 0.4 0.4
assign (resid  94 and name   n )  (resid  34 and name  o )   2.8 0.4 0.5
assign (resid  96 and name  hn )  (resid  32 and name  o )   1.9 0.4 0.4
assign (resid  96 and name   n )  (resid  32 and name  o )   2.8 0.4 0.5
assign (resid  98 and name  hn )  (resid  30 and name  o )   1.9 0.4 0.4
assign (resid  98 and name   n )  (resid  30 and name  o )   2.8 0.4 0.5
assign (resid  104 and name  hn )  (resid  100 and name  o )   1.9 0.4 0.4
assign (resid  104 and name   n )  (resid  100 and name  o )   2.8 0.4 0.5
assign (resid  105 and name  hn )  (resid  101 and name  o )   1.9 0.4 0.4
assign (resid  105 and name   n )  (resid  101 and name  o )   2.8 0.4 0.5
assign (resid  106 and name  hn )  (resid  102 and name  o )   1.9 0.4 0.4
assign (resid  106 and name   n )  (resid  102 and name  o )   2.8 0.4 0.5
assign (resid  107 and name  hn )  (resid  103 and name  o )   1.9 0.4 0.4
assign (resid  107 and name   n )  (resid  103 and name  o )   2.8 0.4 0.5
assign (resid  108 and name  hn )  (resid  104 and name  o )   1.9 0.4 0.4
assign (resid  108 and name   n )  (resid  104 and name  o )   2.8 0.4 0.5
assign (resid  109 and name  hn )  (resid  105 and name  o )   1.9 0.4 0.4
assign (resid  109 and name   n )  (resid  105 and name  o )   2.8 0.4 0.5
assign (resid  110 and name  hn )  (resid  106 and name  o )   1.9 0.4 0.4
assign (resid  110 and name   n )  (resid  106 and name  o )   2.8 0.4 0.5
assign (resid  113 and name  hn )  (resid  110 and name  o )   1.9 0.4 0.4
assign (resid  113 and name   n )  (resid  110 and name  o )   2.8 0.4 0.5
assign (resid  114 and name  hn )  (resid  60 and name  o )   1.9 0.4 0.4
assign (resid  114 and name   n )  (resid  60 and name  o )   2.8 0.4 0.5
assign (resid  116 and name  hn )  (resid  58 and name  o )   1.9 0.4 0.4
assign (resid  116 and name   n )  (resid  58 and name  o )   2.8 0.4 0.5
assign (resid  117 and name  hn )  (resid  58 and name  o )   1.9 0.4 0.4
assign (resid  117 and name   n )  (resid  58 and name  o )   2.8 0.4 0.5
!Leu & Val hn
assign (resid 4 and name hn)	(resid 4 and name hg#) 3.0 1.2 1.5
assign (resid 5 and name hn)	(resid 4 and name hg#) 3.0 1.2 1.5
assign (resid 10 and name hn)	(resid 15 and name hd#) 3.0 1.2 1.5
assign (resid 10 and name hn)	(resid 18 and name hd#) 4.0 2.2 2.0
assign (resid 12 and name hn)	(resid 15 and name hd#) 4.0 2.2 2.0
assign (resid 14 and name hn)	(resid 14 and name hd2#) 4.0 2.2 1.5
assign (resid 15 and name hn)	(resid 15 and name hd#) 3.0 1.2 1.5
assign (resid 16 and name hn)	(resid 15 and name hd#) 4.0 2.2 2.0
assign (resid 18 and name hn)	(resid 18 and name hd2#) 4.0 2.2 1.5
assign (resid 19 and name hn)	(resid 18 and name hd#) 4.0 2.2 2.0
assign (resid 27 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 28 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 29 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 30 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 31 and name hn)	(resid 70 and name hd#) 3.0 1.2 1.5
assign (resid 32 and name hn)	(resid 18 and name hd#) 4.0 2.2 2.0
assign (resid 42 and name hn)	(resid 42 and name hd#) 4.0 2.2 2.0
assign (resid 43 and name hn)	(resid 42 and name hd#) 4.0 2.2 2.0
assign (resid 43 and name hn)	(resid 43 and name hd#) 3.0 1.2 1.5
assign (resid 46 and name hn)	(resid 43 and name hd#) 4.0 2.2 2.0
assign (resid 47 and name hn)	(resid 43 and name hd#) 4.0 2.2 2.0
assign (resid 56 and name hn)	(resid 120 and name hd#) 4.0 2.2 2.0
assign (resid 69 and name hn)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 70 and name hn)	(resid 70 and name hd#) 3.0 1.2 1.5
assign (resid 71 and name hn)	(resid 70 and name hd#) 3.0 1.2 1.5
assign (resid 77 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 84 and name hn)	(resid 43 and name hd#) 4.0 2.2 2.0
assign (resid 97 and name hn)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 98 and name hn)	(resid 28 and name hd#) 3.0 1.2 1.5
assign (resid 99 and name hn)	(resid 18 and name hd#) 4.0 2.2 2.0
assign (resid 102 and name hn)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 120 and name hn)	(resid 120 and name hd#) 4.0 2.2 2.0
assign (resid 123 and name hn)	(resid 120 and name hd#) 4.0 2.2 2.0

!Leu & Val
assign (resid 9 and name hb#)	(resid 15 and name hd#) 4.0 2.2 2.0
assign (resid 11 and name hd#)	(resid 14 and name hd#) 3.0 1.2 1.3
assign (resid 12 and name ha)	(resid 15 and name hd#) 2.5 0.7 1.2
assign (resid 12 and name hb#)	(resid 15 and name hd#) 3.0 1.2 1.3
assign (resid 13 and name hb#)	(resid 14 and name hd#) 4.0 2.2 2.0
assign (resid 13 and name hg#)	(resid 14 and name hd#) 4.0 2.2 2.0
assign (resid 14 and name ha)	(resid 14 and name hd#) 3.0 1.2 1.3
assign (resid 14 and name hd#)	(resid 107 and name hb#) 3.0 1.2 1.8
assign (resid 14 and name hd#)	(resid 108 and name hd2#) 3.0 1.2 1.8
assign (resid 15 and name ha)	(resid 15 and name hd#) 3.0 1.2 1.3
assign (resid 15 and name ha)	(resid 18 and name hd#) 3.0 1.2 1.3
assign (resid 15 and name hd#)	(resid 10 and name hb#) 3.0 1.2 1.3
assign (resid 15 and name hd#)	(resid 18 and name hd#) 3.0 1.2 2.3
assign (resid 18 and name ha)	(resid 18 and name hd#) 3.0 1.2 1.3
assign (resid 18 and name hd#)	(resid 10 and name hb#) 3.0 1.2 1.3
assign (resid 18 and name hd#)	(resid 18 and name hb1) 3.0 1.2 1.3
assign (resid 18 and name hd#)	(resid 18 and name hb2) 3.0 1.2 1.3
assign (resid 18 and name hd#)	(resid 18 and name hg) 2.5 0.7 1.2
assign (resid 18 and name hd#)	(resid 98 and name hg1#) 3.0 1.2 1.8
assign (resid 18 and name hd#)	(resid 98 and name hg2#) 3.0 1.2 1.8
assign (resid 19 and name hb#)	(resid 28 and name hd#) 3.0 1.2 1.8
assign (resid 20 and name he1)	(resid 15 and name hd#) 2.5 0.7 1.2
assign (resid 20 and name he1)	(resid 18 and name hd#) 3.0 1.2 1.3
assign (resid 27 and name ha)	(resid 28 and name hd#) 4.0 2.2 2.0
assign (resid 28 and name ha)	(resid 28 and name hd#) 3.0 1.2 1.3
assign (resid 30 and name ha)	(resid 70 and name hd#) 3.0 1.2 1.3
assign (resid 32 and name hb#)	(resid 18 and name hd#) 3.0 1.2 1.8
assign (resid 39 and name ha)	(resid 42 and name hd#) 3.0 1.2 1.3
assign (resid 40 and name ha)	(resid 43 and name hd#) 3.0 1.2 1.3
assign (resid 42 and name ha)	(resid 42 and name hd#) 3.0 1.2 1.3
assign (resid 43 and name ha)	(resid 43 and name hd#) 3.0 1.2 1.3
assign (resid 43 and name hd#)	(resid 67 and name hd2#) 3.0 1.2 1.8
assign (resid 43 and name hd#)	(resid 87 and name hd1#) 3.0 1.2 1.8
assign (resid 46 and name he#)	(resid 42 and name hd#) 4.0 2.2 2.0
assign (resid 54 and name ha)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 54 and name hb)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 64 and name he1)	(resid 4 and name hg#) 4.0 2.2 2.0
assign (resid 69 and name ha)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 70 and name ha)	(resid 70 and name hd#) 3.0 1.2 1.3
assign (resid 70 and name hd#)	(resid 30 and name hb#) 4.0 2.2 2.0
assign (resid 70 and name hd#)	(resid 55 and name hb#) 4.0 2.2 2.0
assign (resid 70 and name hd#)	(resid 101 and name hg#) 4.0 2.2 2.0
assign (resid 70 and name hd#)	(resid 124 and name hd1#) 3.0 1.2 1.8
assign (resid 70 and name hd#)	(resid 124 and name hd2#) 4.0 2.2 2.5
assign (resid 70 and name hd#)	(resid 128 and name hb#) 4.0 2.2 2.0
assign (resid 77 and name hg2#)	(resid 28 and name hd#) 3.0 1.2 1.8
assign (resid 84 and name ha)	(resid 43 and name hd#) 3.0 1.2 1.3
assign (resid 84 and name hb#)	(resid 43 and name hd#) 4.0 2.2 2.5
assign (resid 97 and name ha#)	(resid 28 and name hd#) 3.0 1.2 1.3
assign (resid 98 and name ha)	(resid 18 and name hd#) 3.0 1.2 1.3
assign (resid 99 and name ha)	(resid 28 and name hd#) 3.0 1.2 1.3
assign (resid 104 and name ha)	(resid 14 and name hd#) 4.0 2.2 2.0
assign (resid 104 and name he#)	(resid 18 and name hd#) 3.0 1.2 1.8
assign (resid 104 and name he#)	(resid 14 and name hd#) 2.5 0.7 1.7
assign (resid 120 and name ha)	(resid 120 and name hd#) 3.0 1.2 1.3
assign (resid 121 and name hd1)	(resid 120 and name hd#) 3.0 1.2 1.3
assign (resid 121 and name hd2)	(resid 120 and name hd#) 3.0 1.2 1.3
assign (resid 127 and name he1) (resid 120 and name hd#) 4.0 2.2 2.0

!Aromatics hn
assign (resid 10 and name hn)	(resid 10 and name hd#) 2.5 0.7 0.2
assign (resid 17 and name hn)	(resid 17 and name hd#) 4.0 2.2 1.0
assign (resid 23 and name hn)	(resid 23 and name hd#) 4.0 2.2 1.0
assign (resid 28 and name hn)	(resid 31 and name hz)	4.0 2.2 1.0
assign (resid 31 and name hn)	(resid 31 and name hd#) 4.0 2.2 1.0
assign (resid 33 and name hn)	(resid 69 and name he#)	4.0 2.2 1.0
assign (resid 34 and name hn)	(resid 10 and name hz)	4.0 2.2 1.0
assign (resid 35 and name hn)	(resid 34 and name hd#) 3.0 1.2 0.5
assign (resid 36 and name hn)	(resid 92 and name hz)	4.0 2.2 1.0
assign (resid 45 and name hn)	(resid 44 and name hd#) 4.0 2.2 1.0
assign (resid 47 and name hn)	(resid 83 and name he#)	4.0 2.2 1.0
assign (resid 51 and name hn)	(resid 51 and name hd#) 3.0 1.2 0.5
assign (resid 55 and name hn)	(resid 55 and name hd#) 4.0 2.2 1.0
assign (resid 56 and name hn)	(resid 55 and name hd#) 4.0 2.2 1.0
assign (resid 57 and name hn)	(resid 55 and name hd#) 4.0 2.2 1.0
assign (resid 57 and name hn)	(resid 68 and name hd#) 4.0 2.2 1.0
assign (resid 58 and name hn)	(resid 44 and name hd#)	4.0 2.2 1.0
assign (resid 58 and name hn)	(resid 44 and name he#)	3.0 1.2 0.5
assign (resid 62 and name hn)	(resid 62 and name hd#)	4.0 2.2 1.0
assign (resid 63 and name hn)	(resid 62 and name hd#) 4.0 2.2 1.0
assign (resid 65 and name hn)	(resid 34 and name hd#)	4.0 2.2 1.0
assign (resid 65 and name hn)	(resid 34 and name he#)	4.0 2.2 1.0
assign (resid 68 and name hn)	(resid 68 and name hd#)	4.0 2.2 1.0
assign (resid 69 and name hn)	(resid 69 and name hd#)	3.0 1.2 0.3
assign (resid 70 and name hn)	(resid 69 and name hd#) 4.0 2.2 1.0
assign (resid 71 and name hn)	(resid 31 and name he#)	4.0 2.2 1.0
assign (resid 75 and name hn)	(resid 31 and name hz) 3.0 1.2 0.5
assign (resid 77 and name hn)	(resid 31 and name he#)	4.0 2.2 1.0
assign (resid 83 and name hn)	(resid 83 and name hd#) 4.0 2.2 1.0
assign (resid 84 and name hn)	(resid 83 and name hd#) 4.0 2.2 1.0
assign (resid 90 and name hn)	(resid 90 and name hd#)	4.0 2.2 1.0
assign (resid 92 and name hn)	(resid 92 and name hd#)	4.0 2.2 1.0
assign (resid 93 and name hn)	(resid 92 and name hd#) 3.0 1.2 0.5
assign (resid 94 and name hn)	(resid 92 and name hd#)	4.0 2.2 1.0
assign (resid 96 and name hn)	(resid 10 and name he#)	4.0 2.2 1.0
assign (resid 96 and name hn)	(resid 10 and name hz)	4.0 2.2 1.0
assign (resid 102 and name hn)	(resid 102 and name hd#) 4.0 2.2 1.0
assign (resid 102 and name hn)	(resid 129 and name hd#) 4.0 2.2 1.0
assign (resid 102 and name hn)	(resid 129 and name he#) 4.0 2.2 1.0
assign (resid 103 and name hn)	(resid 102 and name hd#) 4.0 2.2 1.0
assign (resid 105 and name hn)	(resid 68 and name hz) 3.0 1.2 0.5
assign (resid 105 and name hn)	(resid 105 and name hd#) 4.0 2.2 1.0
assign (resid 106 and name hn)	(resid 105 and name hd#) 4.0 2.2 1.0
assign (resid 113 and name hn)	(resid 113 and name hd#) 3.0 1.2 0.5
assign (resid 119 and name hn)	(resid 44 and name he#) 4.0 2.2 1.0
assign (resid 120 and name hn)	(resid 55 and name he#) 3.0 1.2 0.5
assign (resid 123 and name hn)	(resid 55 and name he#) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 55 and name he#) 4.0 2.2 1.0
assign (resid 124 and name hn)	(resid 105 and name he#) 4.0 2.2 1.0
assign (resid 129 and name hn)	(resid 129 and name hd#) 3.0 1.2 0.5
assign (resid 130 and name hn)	(resid 129 and name hd#) 4.0 2.2 1.0

!Aromatics
assign (resid 10 and name hd#)	(resid 10 and name ha) 4.0 2.2 1.0
assign (resid 10 and name hd#)	(resid 10 and name hb#) 4.0 2.2 1.0
assign (resid 10 and name hd#)	(resid 18 and name hd1#) 4.0 2.2 1.5
assign (resid 10 and name hd#)	(resid 18 and name hd2#) 4.0 2.2 1.5
assign (resid 10 and name hd1)	(resid 94 and name hg2#) 3.0 1.2 0.8
assign (resid 10 and name he#)	(resid 18 and name hd1#) 4.0 2.2 1.5
assign (resid 10 and name he#)	(resid 18 and name hd2#) 4.0 2.2 1.5
assign (resid 10 and name he#)	(resid 32 and name hb#) 2.5 0.7 0.7
assign (resid 10 and name he#)	(resid 33 and name ha) 4.0 2.2 1.0
assign (resid 10 and name he#)	(resid 95 and name ha) 4.0 2.2 1.0
assign (resid 10 and name hz)	(resid 33 and name ha) 4.0 2.2 1.0
assign (resid 10 and name hz)	(resid 95 and name ha) 4.0 2.2 1.0
assign (resid 10 and name hz)	(resid 32 and name hb#) 3.0 1.2 0.8
assign (resid 17 and name hd#)	(resid 17 and name he#)	2.5 0.7 0.2
assign (resid 17 and name hd#)	(resid 17 and name ha) 4.0 2.2 1.0
assign (resid 17 and name hd#)	(resid 17 and name hb#) 3.0 1.2 0.3
assign (resid 17 and name hd#)	(resid 103 and name hd1#) 3.0 1.2 0.8
assign (resid 17 and name hd#)	(resid 103 and name hd2#) 4.0 2.2 1.5
assign (resid 17 and name hz)	(resid 14 and name ha) 3.0 1.2 0.3
assign (resid 17 and name hz)	(resid 14 and name hd#) 3.0 1.2 1.3
assign (resid 17 and name hz)	(resid 14 and name hg) 4.0 2.2 1.0
assign (resid 17 and name hz)	(resid 104 and name ha) 3.0 1.2 0.3
assign (resid 17 and name hz)	(resid 107 and name hb#) 3.0 1.2 0.8
assign (resid 17 and name he#)	(resid 14 and name ha) 3.0 1.2 0.3
assign (resid 17 and name he#)	(resid 14 and name hd#) 2.5 0.7 1.2
assign (resid 17 and name he#)	(resid 16 and name hb#) 4.0 2.2 1.0
assign (resid 17 and name he1)	(resid 103 and name hd1#) 2.5 0.7 0.7
assign (resid 17 and name he#)	(resid 103 and name hd2#) 4.0 2.2 1.5
assign (resid 17 and name he#)	(resid 103 and name hb#) 4.0 2.2 1.0
assign (resid 17 and name he#)	(resid 103 and name hg) 4.0 2.2 1.0
assign (resid 17 and name he#)	(resid 103 and name ha) 4.0 2.2 1.0
assign (resid 17 and name he#)	(resid 104 and name he#) 4.0 2.2 1.5
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assign (resid 129 and name hd#) (resid 102 and name hd#) 4.0 2.2 1.0
assign (resid 129 and name hd1) (resid 102 and name ha) 4.0 2.2 1.0
assign (resid 129 and name hd#) (resid 102 and name hb#) 4.0 2.2 1.0
assign (resid 129 and name hd#) (resid 124 and name hb#) 4.0 2.2 1.0
assign (resid 129 and name hd#)	(resid 124 and name hd1#) 4.0 2.2 1.5
assign (resid 129 and name hd#)	(resid 124 and name hd2#) 4.0 2.2 1.5
assign (resid 129 and name hd#) (resid 125 and name he#) 4.0 2.2 1.0
assign (resid 129 and name hd#) (resid 128 and name hb#) 4.0 2.2 1.0
assign (resid 129 and name hd#) (resid 129 and name ha) 4.0 2.2 1.0
assign (resid 129 and name hd#) (resid 129 and name hb1) 3.0 1.2 0.3
assign (resid 129 and name hd#) (resid 129 and name hb2) 3.0 1.2 0.3
assign (resid 129 and name hd#)	(resid 129 and name he#) 2.5 0.7 0.2
assign (resid 129 and name hd#)	(resid 129 and name hz) 4.0 2.2 1.0
assign (resid 129 and name he#)	(resid 70 and name hd#) 2.5 0.7 1.2
assign (resid 129 and name he#)	(resid 124 and name hd1#) 4.0 2.2 1.5
assign (resid 129 and name he#)	(resid 124 and name hd2#) 3.0 1.2 0.8
assign (resid 129 and name hz)	(resid 70 and name hd#) 4.0 2.2 2.0
assign (resid 129 and name hz)	(resid 124 and name hd1#) 4.0 2.2 1.5
assign (resid 129 and name hz)	(resid 124 and name hd2#) 4.0 2.2 1.5

B. Torsion Angle Restraints

!large coupling constant
 assign (resid    7 and name  c )   (resid   8 and name  n )   
        (resid    8 and name  ca )  (resid   8 and name  c )  1 -120.0 40.0 2
 assign (resid    13 and name  c )   (resid   14 and name  n )   
        (resid    14 and name  ca )  (resid   14 and name  c )  1 -120.0 40.0 2
 assign (resid    16 and name  c )   (resid   17 and name  n )   
        (resid    17 and name  ca )  (resid   17 and name  c )  1 -120.0 40.0 2
 assign (resid    17 and name  c )   (resid   18 and name  n )   
        (resid    18 and name  ca )  (resid   18 and name  c )  1 -120.0 40.0 2
 assign (resid    18 and name  c )   (resid   19 and name  n )   
        (resid    19 and name  ca )  (resid   19 and name  c )  1 -120.0 40.0 2
 assign (resid    21 and name  c )   (resid   22 and name  n )   
        (resid    22 and name  ca )  (resid   22 and name  c )  1 -120.0 40.0 2
 assign (resid    22 and name  c )   (resid   23 and name  n )   
        (resid    23 and name  ca )  (resid   23 and name  c )  1 -120.0 40.0 2
 assign (resid    24 and name  c )   (resid   25 and name  n )   
        (resid    25 and name  ca )  (resid   25 and name  c )  1 -120.0 40.0 2
 assign (resid    26 and name  c )   (resid   27 and name  n )   
        (resid    27 and name  ca )  (resid   27 and name  c )  1 -120.0 40.0 2
 assign (resid    27 and name  c )   (resid   28 and name  n )   
        (resid    28 and name  ca )  (resid   28 and name  c )  1 -120.0 40.0 2
 assign (resid    28 and name  c )   (resid   29 and name  n )   
        (resid    29 and name  ca )  (resid   29 and name  c )  1 -120.0 40.0 2
 assign (resid    29 and name  c )   (resid   30 and name  n )   
        (resid    30 and name  ca )  (resid   30 and name  c )  1 -120.0 40.0 2
 assign (resid    31 and name  c )   (resid   32 and name  n )   
        (resid    32 and name  ca )  (resid   32 and name  c )  1 -120.0 40.0 2
 assign (resid    32 and name  c )   (resid   33 and name  n )   
        (resid    33 and name  ca )  (resid   33 and name  c )  1 -120.0 40.0 2
 assign (resid    33 and name  c )   (resid   34 and name  n )   
        (resid    34 and name  ca )  (resid   34 and name  c )  1 -120.0 40.0 2
 assign (resid    50 and name  c )   (resid   51 and name  n )   
        (resid    51 and name  ca )  (resid   51 and name  c )  1 -120.0 40.0 2
        (resid    57 and name  ca )  (resid   57 and name  c )  1 -120.0 40.0 2
 assign (resid    58 and name  c )   (resid   59 and name  n )   
        (resid    59 and name  ca )  (resid   59 and name  c )  1 -120.0 40.0 2
 assign (resid    60 and name  c )   (resid   61 and name  n )   
        (resid    61 and name  ca )  (resid   61 and name  c )  1 -120.0 40.0 2
 assign (resid    61 and name  c )   (resid   62 and name  n )   
        (resid    62 and name  ca )  (resid   62 and name  c )  1 -120.0 40.0 2
 assign (resid    62 and name  c )   (resid   63 and name  n )   
        (resid    63 and name  ca )  (resid   63 and name  c )  1 -120.0 40.0 2
 assign (resid    63 and name  c )   (resid   64 and name  n )   
        (resid    64 and name  ca )  (resid   64 and name  c )  1 -120.0 40.0 2
 assign (resid    65 and name  c )   (resid   66 and name  n )   
        (resid    66 and name  ca )  (resid   66 and name  c )  1 -120.0 40.0 2
 assign (resid    66 and name  c )   (resid   67 and name  n )   
 assign (resid    66 and name  c )   (resid   67 and name  n )
        (resid    67 and name  ca )  (resid   67 and name  c )  1 -120.0 40.0 2
 assign (resid    67 and name  c )   (resid   68 and name  n )   
        (resid    68 and name  ca )  (resid   68 and name  c )  1 -120.0 40.0 2
 assign (resid    69 and name  c )   (resid   70 and name  n )   
        (resid    70 and name  ca )  (resid   70 and name  c )  1 -120.0 40.0 2
 assign (resid    70 and name  c )   (resid   71 and name  n )   
        (resid    71 and name  ca )  (resid   71 and name  c )  1 -120.0 40.0 2
 assign (resid    74 and name  c )   (resid   75 and name  n )   
        (resid    75 and name  ca )  (resid   75 and name  c )  1 -120.0 40.0 2
 assign (resid    86 and name  c )   (resid   87 and name  n )   
        (resid    87 and name  ca )  (resid   87 and name  c )  1 -120.0 40.0 2
 assign (resid    87 and name  c )   (resid   88 and name  n )   
        (resid    88 and name  ca )  (resid   88 and name  c )  1 -120.0 40.0 2
 assign (resid    92 and name  c )   (resid   93 and name  n )   
        (resid    93 and name  ca )  (resid   93 and name  c )  1 -120.0 40.0 2
 assign (resid    93 and name  c )   (resid   94 and name  n )   
        (resid    94 and name  ca )  (resid   94 and name  c )  1 -120.0 40.0 2
 assign (resid    94 and name  c )   (resid   95 and name  n )   
        (resid    95 and name  ca )  (resid   95 and name  c )  1 -120.0 40.0 2
 assign (resid    95 and name  c )   (resid   96 and name  n )   
        (resid    96 and name  ca )  (resid   96 and name  c )  1 -120.0 40.0 2
 assign (resid    97 and name  c )   (resid   98 and name  n )   
        (resid    98 and name  ca )  (resid   98 and name  c )  1 -120.0 40.0 2
 assign (resid    98 and name  c )   (resid   99 and name  n )   
        (resid    99 and name  ca )  (resid   99 and name  c )  1 -120.0 40.0 2
 assign (resid    99 and name  c )   (resid   100 and name  n )   
        (resid    100 and name  ca )  (resid   100 and name  c )  1 -120.0 40.0 2
 assign (resid    108 and name  c )   (resid   109 and name  n )   
        (resid    109 and name  ca )  (resid   109 and name  c )  1 -120.0 40.0 2
 assign (resid    109 and name  c )   (resid   110 and name  n )   
        (resid    110 and name  ca )  (resid   110 and name  c )  1 -120.0 40.0 2
 assign (resid    112 and name  c )   (resid   113 and name  n )   
        (resid    113 and name  ca )  (resid   113 and name  c )  1 -120.0 40.0 2
 assign (resid    115 and name  c )   (resid   116 and name  n )   
        (resid    116 and name  ca )  (resid   116 and name  c )  1 -120.0 40.0 2
 assign (resid    116 and name  c )   (resid   117 and name  n )   
        (resid    117 and name  ca )  (resid   117 and name  c )  1 -120.0 40.0 2
 assign (resid    119 and name  c )   (resid   120 and name  n )   
        (resid    120 and name  ca )  (resid   120 and name  c )  1 -120.0 40.0 2
 assign (resid    127 and name  c )   (resid   128 and name  n )   
        (resid    128 and name  ca )  (resid   128 and name  c )  1 -120.0 40.0 2
 assign (resid    128 and name  c )   (resid   129 and name  n )   
        (resid    129 and name  ca )  (resid   129 and name  c )  1 -120.0 40.0 2
 assign (resid    129 and name  c )   (resid   130 and name  n )   
        (resid    130 and name  ca )  (resid   130 and name  c )  1 -120.0 40.0 2
!small coupling constant
 assign (resid   5 and name  c )   (resid  6 and name  n )   
        (resid   6 and name  ca )  (resid  6 and name  c )  1 -55.0 35.0 2
 assign (resid   12 and name  c )   (resid  13 and name  n )   
        (resid   13 and name  ca )  (resid  13 and name  c )  1 -55.0 35.0 2
 assign (resid   14 and name  c )   (resid  15 and name  n )   
        (resid   15 and name  ca )  (resid  15 and name  c )  1 -55.0 35.0 2
 assign (resid   15 and name  c )   (resid  16 and name  n )   
        (resid   16 and name  ca )  (resid  16 and name  c )  1 -55.0 35.0 2
 assign (resid   36 and name  c )   (resid  37 and name  n )   
        (resid   37 and name  ca )  (resid  37 and name  c )  1 -55.0 35.0 2
 assign (resid   37 and name  c )   (resid  38 and name  n )   
        (resid   38 and name  ca )  (resid  38 and name  c )  1 -55.0 35.0 2
 assign (resid   39 and name  c )   (resid  40 and name  n )   
        (resid   40 and name  ca )  (resid  40 and name  c )  1 -55.0 35.0 2
 assign (resid   40 and name  c )   (resid  41 and name  n )   
        (resid   41 and name  ca )  (resid  41 and name  c )  1 -55.0 35.0 2
 assign (resid   41 and name  c )   (resid  42 and name  n )   
        (resid   42 and name  ca )  (resid  42 and name  c )  1 -55.0 35.0 2
 assign (resid   42 and name  c )   (resid  43 and name  n )   
        (resid   43 and name  ca )  (resid  43 and name  c )  1 -55.0 35.0 2
 assign (resid   43 and name  c )   (resid  44 and name  n )
        (resid   44 and name  ca )  (resid  44 and name  c )  1 -55.0 35.0 2
 assign (resid   44 and name  c )   (resid  45 and name  n )   
        (resid   45 and name  ca )  (resid  45 and name  c )  1 -55.0 35.0 2
 assign (resid   45 and name  c )   (resid  46 and name  n )   
        (resid   46 and name  ca )  (resid  46 and name  c )  1 -55.0 35.0 2
 assign (resid   46 and name  c )   (resid  47 and name  n )   
        (resid   47 and name  ca )  (resid  47 and name  c )  1 -55.0 35.0 2
 assign (resid   47 and name  c )   (resid  48 and name  n )   
        (resid   48 and name  ca )  (resid  48 and name  c )  1 -55.0 35.0 2
 assign (resid   49 and name  c )   (resid  50 and name  n )   
        (resid   50 and name  ca )  (resid  50 and name  c )  1 -55.0 35.0 2
 assign (resid   52 and name  c )   (resid  53 and name  n )   
        (resid   53 and name  ca )  (resid  53 and name  c )  1 -55.0 35.0 2
 assign (resid   76 and name  c )   (resid  77 and name  n )   
        (resid   77 and name  ca )  (resid  77 and name  c )  1 -55.0 35.0 2
 assign (resid   77 and name  c )   (resid  78 and name  n )   
        (resid   78 and name  ca )  (resid  78 and name  c )  1 -55.0 35.0 2
 assign (resid   79 and name  c )   (resid  80 and name  n )   
        (resid   80 and name  ca )  (resid  80 and name  c )  1 -55.0 35.0 2
 assign (resid   80 and name  c )   (resid  81 and name  n )   
        (resid   81 and name  ca )  (resid  81 and name  c )  1 -55.0 35.0 2
 assign (resid   81 and name  c )   (resid  82 and name  n )   
        (resid   82 and name  ca )  (resid  82 and name  c )  1 -55.0 35.0 2
 assign (resid   82 and name  c )   (resid  83 and name  n )   
        (resid   83 and name  ca )  (resid  83 and name  c )  1 -55.0 35.0 2
 assign (resid   83 and name  c )   (resid  84 and name  n )   
        (resid   84 and name  ca )  (resid  84 and name  c )  1 -55.0 35.0 2
 assign (resid   84 and name  c )   (resid  85 and name  n )   
        (resid   85 and name  ca )  (resid  85 and name  c )  1 -55.0 35.0 2
 assign (resid   85 and name  c )   (resid  86 and name  n )   
        (resid   86 and name  ca )  (resid  86 and name  c )  1 -55.0 35.0 2
 assign (resid   91 and name  c )   (resid  92 and name  n )   
        (resid   92 and name  ca )  (resid  92 and name  c )  1 -55.0 35.0 2
 assign (resid   100 and name  c )   (resid  101 and name  n )   
        (resid   101 and name  ca )  (resid  101 and name  c )  1 -55.0 35.0 2
 assign (resid   101 and name  c )   (resid  102 and name  n )   
        (resid   102 and name  ca )  (resid  102 and name  c )  1 -55.0 35.0 2
 assign (resid   103 and name  c )   (resid  104 and name  n )   
        (resid   104 and name  ca )  (resid  104 and name  c )  1 -55.0 35.0 2
 assign (resid   104 and name  c )   (resid  105 and name  n )   
        (resid   105 and name  ca )  (resid  105 and name  c )  1 -55.0 35.0 2
 assign (resid   105 and name  c )   (resid  106 and name  n )   
        (resid   106 and name  ca )  (resid  106 and name  c )  1 -55.0 35.0 2
 assign (resid   106 and name  c )   (resid  107 and name  n )   
        (resid   107 and name  ca )  (resid  107 and name  c )  1 -55.0 35.0 2
 assign (resid   107 and name  c )   (resid  108 and name  n )   
        (resid   108 and name  ca )  (resid  108 and name  c )  1 -55.0 35.0 2
 assign (resid   110 and name  c )   (resid  111 and name  n )   
        (resid   111 and name  ca )  (resid  111 and name  c )  1 -55.0 35.0 2
 assign (resid   113 and name  c )   (resid  114 and name  n )   
        (resid   114 and name  ca )  (resid  114 and name  c )  1 -55.0 35.0 2
 assign (resid   125 and name  c )   (resid  126 and name  n )   
        (resid   126 and name  ca )  (resid  126 and name  c )  1 -55.0 35.0 2
 assign (resid   126 and name  c )   (resid  127 and name  n )   
        (resid   127 and name  ca )  (resid  127 and name  c )  1 -55.0 35.0 2

!sidechain dihedrals
 assign (resid   22 and name  n )   (resid  22 and name  ca )   
        (resid   22 and name  cb )  (resid  22 and name  hb )  1 60.0 60.0 2
 assign (resid   23 and name  n )   (resid  23 and name  ca )   
        (resid   23 and name  cb )  (resid  23 and name  cg )  1 -60.0 60.0 2
 assign (resid   27 and name  n )   (resid  27 and name  ca )   
        (resid   27 and name  cb )  (resid  27 and name  hb )  1 180.0 60.0 2
 assign (resid   30 and name  n )   (resid  30 and name  ca )   
        (resid   30 and name  cb )  (resid  30 and name  sg )  1 180.0 60.0 2
 assign (resid   33 and name  n )   (resid  33 and name  ca )   
        (resid   33 and name  cb )  (resid  33 and name  hb )  1 60.0 60.0 2
 assign (resid   34 and name  n )   (resid  34 and name  ca )   
        (resid   34 and name  cb )  (resid  34 and name  cg )  1 180.0 60.0 2
 assign (resid   36 and name  n )   (resid  36 and name  ca )   
        (resid   36 and name  cb )  (resid  36 and name  hb )  1 180.0 60.0 2
 assign (resid   43 and name  n )   (resid  43 and name  ca )   
        (resid   43 and name  cb )  (resid  43 and name  cg )  1 -60.0 60.0 2
 assign (resid   47 and name  n )   (resid  47 and name  ca )   
        (resid   47 and name  cb )  (resid  47 and name  hb )  1 60.0 60.0 2
 assign (resid   53 and name  n )   (resid  53 and name  ca )   
        (resid   53 and name  cb )  (resid  53 and name  hb )  1 180.0 60.0 2
 assign (resid   55 and name  n )   (resid  55 and name  ca )   
        (resid   55 and name  cb )  (resid  55 and name  cg )  1 180.0 60.0 2
 assign (resid   56 and name  n )   (resid  56 and name  ca )   
        (resid   56 and name  cb )  (resid  56 and name  hb )  1 -60.0 60.0 2
 assign (resid   59 and name  n )   (resid  59 and name  ca )   
        (resid   59 and name  cb )  (resid  59 and name  cg )  1 -60.0 60.0 2
 assign (resid   60 and name  n )   (resid  60 and name  ca )   
        (resid   60 and name  cb )  (resid  60 and name  cg )  1 -60.0 60.0 2
 assign (resid   62 and name  n )   (resid  62 and name  ca )   
        (resid   62 and name  cb )  (resid  62 and name  cg )  1 -60.0 60.0 2
 assign (resid   63 and name  n )   (resid  63 and name  ca )   
        (resid   63 and name  cb )  (resid  63 and name  cg )  1 -60.0 60.0 2
 assign (resid   64 and name  n )   (resid  64 and name  ca )   
        (resid   64 and name  cb )  (resid  64 and name  cg )  1 -60.0 60.0 2 
 assign (resid   65 and name  n )   (resid  65 and name  ca )   
        (resid   65 and name  cb )  (resid  65 and name  cg )  1 -60.0 60.0 2
 assign (resid   66 and name  n )   (resid  66 and name  ca )   
        (resid   66 and name  cb )  (resid  66 and name  cg )  1 -60.0 60.0 2
 assign (resid   67 and name  n )   (resid  67 and name  ca )   
        (resid   67 and name  cb )  (resid  67 and name  cg )  1 180.0 60.0 2
 assign (resid   70 and name  n )   (resid  70 and name  ca )   
        (resid   70 and name  cb )  (resid  70 and name  cg )  1 -60.0 60.0 2
 assign (resid   71 and name  n )   (resid  71 and name  ca )   
        (resid   71 and name  cb )  (resid  71 and name  hb )  1 180.0 60.0 2
 assign (resid   75 and name  n )   (resid  75 and name  ca )   
        (resid   75 and name  cb )  (resid  75 and name  cg )  1 -60.0 60.0 2
 assign (resid   77 and name  n )   (resid  77 and name  ca )   
        (resid   77 and name  cb )  (resid  77 and name  hb )  1 60.0 60.0 2
 assign (resid   80 and name  n )   (resid  80 and name  ca )   
        (resid   80 and name  cb )  (resid  80 and name  hb )  1 60.0 60.0 2
 assign (resid   81 and name  n )   (resid  81 and name  ca )   
        (resid   81 and name  cb )  (resid  81 and name  cg )  1 180.0 60.0 2
 assign (resid   83 and name  n )   (resid  83 and name  ca )   
        (resid   83 and name  cb )  (resid  83 and name  cg )  1 180.0 60.0 2
 assign (resid   87 and name  n )   (resid  87 and name  ca )   
        (resid   87 and name  cb )  (resid  87 and name  cg )  1 -60.0 60.0 2
 assign (resid   93 and name  n )   (resid  93 and name  ca )   
        (resid   93 and name  cb )  (resid  93 and name  cg )  1 180.0 60.0 2
 assign (resid   94 and name  n )   (resid  94 and name  ca )   
        (resid   94 and name  cb )  (resid  94 and name  hb )  1 60.0 60.0 2
 assign (resid   95 and name  n )   (resid  95 and name  ca )   
        (resid   95 and name  cb )  (resid  95 and name  sg )  1 180.0 60.0 2
 assign (resid   98 and name  n )   (resid  98 and name  ca )   
        (resid   98 and name  cb )  (resid  98 and name  hb )  1 60.0 60.0 2
 assign (resid   102 and name  n )   (resid  102 and name  ca )   
        (resid   102 and name  cb )  (resid  102 and name  cg )  1 180.0 60.0 2
 assign (resid   103 and name  n )   (resid  103 and name  ca )   
        (resid   103 and name  cb )  (resid  103 and name  cg )  1 -60.0 60.0 2
 assign (resid   108 and name  n )   (resid  108 and name  ca )   
        (resid   108 and name  cb )  (resid  108 and name  cg )  1 -60.0 60.0 2
 assign (resid   113 and name  n )   (resid  113 and name  ca )   
        (resid   113 and name  cb )  (resid  113 and name  cg )  1 -60.0 60.0 2
 assign (resid   115 and name  n )   (resid  115 and name  ca )   
        (resid   115 and name  cb )  (resid  115 and name  hb )  1 60.0 60.0 2
 assign (resid   116 and name  n )   (resid  116 and name  ca )   
        (resid   116 and name  cb )  (resid  116 and name  hb )  1 60.0 60.0 2
 assign (resid   124 and name  n )   (resid  124 and name  ca )   
        (resid   124 and name  cb )  (resid  124 and name  cg )  1 -60.0 60.0 2
 assign (resid   129 and name  n )   (resid  129 and name  ca )   
        (resid   129 and name  cb )  (resid  129 and name  cg )  1 -60.0 60.0 2

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT1      GLY   1 111.124  -5.809  25.046
    2   2H    GLY   1           HT3      GLY   1 110.160  -5.650  26.432
    3   3H    GLY   1           HT2      GLY   1 111.314  -4.459  26.061
    4   1HA   GLY   1           HA2      GLY   1 112.780  -5.732  26.102
    5   2HA   GLY   1           HA1      GLY   1 111.423  -7.026  26.616
    6    H    SER   2           HN       SER   2 112.830  -7.314  24.636
    7    HA   SER   2           HA       SER   2 115.273  -8.501  25.209
    8   1HB   SER   2           HB2      SER   2 114.599  -9.855  26.965
    9   2HB   SER   2           HB1      SER   2 112.962 -10.029  26.340
   10    HG   SER   2           HG       SER   2 114.082 -11.949  26.031
   11    H    LYS   3           HN       LYS   3 112.085  -9.152  23.790
   12    HA   LYS   3           HA       LYS   3 113.304 -10.645  21.560
   13   1HB   LYS   3           HB2      LYS   3 110.429  -9.735  21.734
   14   2HB   LYS   3           HB1      LYS   3 111.086 -11.126  20.871
   15   1HG   LYS   3           HG2      LYS   3 111.550 -12.286  22.922
   16   2HG   LYS   3           HG1      LYS   3 111.209 -10.847  23.882
   17   1HD   LYS   3           HD2      LYS   3 108.867 -11.066  22.543
   18   2HD   LYS   3           HD1      LYS   3 109.329 -12.767  22.620
   19   1HE   LYS   3           HE2      LYS   3 109.874 -12.115  25.154
   20   2HE   LYS   3           HE1      LYS   3 108.652 -10.884  24.836
   21   1HZ   LYS   3           HZ1      LYS   3 107.713 -13.271  23.769
   22   2HZ   LYS   3           HZ3      LYS   3 108.294 -13.634  25.321
   23   3HZ   LYS   3           HZ2      LYS   3 107.114 -12.428  25.117
   24    H    VAL   4           HN       VAL   4 113.240  -9.899  19.369
   25    HA   VAL   4           HA       VAL   4 114.040  -7.329  18.806
   26    HB   VAL   4           HB       VAL   4 113.984  -9.162  17.137
   27   1HG1  VAL   4          HG11      VAL   4 111.413  -9.530  17.899
   28   2HG1  VAL   4          HG13      VAL   4 111.158  -8.566  16.443
   29   3HG1  VAL   4          HG12      VAL   4 112.044 -10.089  16.349
   30   1HG2  VAL   4          HG22      VAL   4 113.565  -6.430  16.713
   31   2HG2  VAL   4          HG21      VAL   4 114.103  -7.600  15.508
   32   3HG2  VAL   4          HG23      VAL   4 112.388  -7.218  15.661
   33    H    GLU   5           HN       GLU   5 113.003  -5.578  19.727
   34    HA   GLU   5           HA       GLU   5 110.268  -5.255  20.238
   35   1HB   GLU   5           HB2      GLU   5 112.535  -3.637  20.389
   36   2HB   GLU   5           HB1      GLU   5 111.474  -2.779  19.271
   37   1HG   GLU   5           HG2      GLU   5 110.034  -2.217  20.919
   38   2HG   GLU   5           HG1      GLU   5 110.022  -3.858  21.566
   39    H    ASP   6           HN       ASP   6 108.665  -5.590  18.763
   40    HA   ASP   6           HA       ASP   6 108.946  -5.447  15.952
   41   1HB   ASP   6           HB2      ASP   6 106.784  -5.795  17.858
   42   2HB   ASP   6           HB1      ASP   6 106.266  -4.808  16.490
   43    HA   PRO   7           HA       PRO   7 109.017  -1.028  15.473
   44   1HB   PRO   7           HB2      PRO   7 109.063  -1.046  12.727
   45   2HB   PRO   7           HB1      PRO   7 110.486  -1.373  13.730
   46   1HG   PRO   7           HG2      PRO   7 108.818  -3.282  12.163
   47   2HG   PRO   7           HG1      PRO   7 110.516  -3.413  12.649
   48   1HD   PRO   7           HD2      PRO   7 108.326  -4.722  13.883
   49   2HD   PRO   7           HD1      PRO   7 109.973  -4.592  14.537
   50    H    LYS   8           HN       LYS   8 107.199   0.234  15.655
   51    HA   LYS   8           HA       LYS   8 104.661  -0.678  14.475
   52   1HB   LYS   8           HB2      LYS   8 105.423   1.642  16.263
   53   2HB   LYS   8           HB1      LYS   8 103.797   1.447  15.609
   54   1HG   LYS   8           HG2      LYS   8 103.339   0.044  17.307
   55   2HG   LYS   8           HG1      LYS   8 104.524  -1.079  16.640
   56   1HD   LYS   8           HD2      LYS   8 105.959  -0.665  18.324
   57   2HD   LYS   8           HD1      LYS   8 105.854   1.074  18.047
   58   1HE   LYS   8           HE2      LYS   8 103.704  -0.468  19.512
   59   2HE   LYS   8           HE1      LYS   8 105.075   0.268  20.342
   60   1HZ   LYS   8           HZ1      LYS   8 103.994   2.151  18.577
   61   2HZ   LYS   8           HZ3      LYS   8 102.715   1.495  19.477
   62   3HZ   LYS   8           HZ2      LYS   8 104.037   2.203  20.275
   63    H    ASP   9           HN       ASP   9 107.268   1.237  13.495
   64    HA   ASP   9           HA       ASP   9 105.843   2.096  11.105
   65   1HB   ASP   9           HB2      ASP   9 106.593   4.079  13.252
   66   2HB   ASP   9           HB1      ASP   9 106.494   4.562  11.559
   67    H    PHE  10           HN       PHE  10 107.569   3.992  10.138
   68    HA   PHE  10           HA       PHE  10 109.933   2.408   9.566
   69   1HB   PHE  10           HB2      PHE  10 109.044   5.199   8.824
   70   2HB   PHE  10           HB1      PHE  10 110.626   4.575   8.357
   71    HD1  PHE  10           HD1      PHE  10 107.145   3.165   8.507
   72    HD2  PHE  10           HD2      PHE  10 110.684   3.815   6.161
   73    HE1  PHE  10           HE1      PHE  10 106.109   1.951   6.608
   74    HE2  PHE  10           HE2      PHE  10 109.648   2.602   4.263
   75    HZ   PHE  10           HZ       PHE  10 107.361   1.670   4.487
   76    HA   PRO  11           HA       PRO  11 112.667   4.013  12.599
   77   1HB   PRO  11           HB2      PRO  11 115.035   3.960  11.203
   78   2HB   PRO  11           HB1      PRO  11 114.231   2.507  11.822
   79   1HG   PRO  11           HG2      PRO  11 114.394   3.511   9.018
   80   2HG   PRO  11           HG1      PRO  11 114.188   1.853   9.606
   81   1HD   PRO  11           HD2      PRO  11 112.139   3.514   8.581
   82   2HD   PRO  11           HD1      PRO  11 111.904   1.996   9.473
   83    H    SER  12           HN       SER  12 113.564   5.999  13.271
   84    HA   SER  12           HA       SER  12 112.871   8.387  11.983
   85   1HB   SER  12           HB2      SER  12 114.557   9.478  13.424
   86   2HB   SER  12           HB1      SER  12 113.626   8.287  14.328
   87    HG   SER  12           HG       SER  12 115.824   8.014  14.738
   88    H    GLU  13           HN       GLU  13 115.576   6.266  11.367
   89    HA   GLU  13           HA       GLU  13 117.274   8.088   9.976
   90   1HB   GLU  13           HB2      GLU  13 117.575   5.536  10.686
   91   2HB   GLU  13           HB1      GLU  13 117.038   5.261   9.028
   92   1HG   GLU  13           HG2      GLU  13 119.182   5.625   8.415
   93   2HG   GLU  13           HG1      GLU  13 118.885   7.325   8.779
   94    H    LEU  14           HN       LEU  14 114.643   5.984   8.792
   95    HA   LEU  14           HA       LEU  14 114.870   7.212   6.111
   96   1HB   LEU  14           HB2      LEU  14 113.519   4.827   7.270
   97   2HB   LEU  14           HB1      LEU  14 112.725   5.593   5.894
   98    HG   LEU  14           HG       LEU  14 115.569   5.416   5.419
   99   1HD1  LEU  14          HD13      LEU  14 114.863   3.369   7.036
  100   2HD1  LEU  14          HD12      LEU  14 114.400   2.685   5.477
  101   3HD1  LEU  14          HD11      LEU  14 116.063   3.204   5.753
  102   1HD2  LEU  14          HD22      LEU  14 113.203   5.357   3.994
  103   2HD2  LEU  14          HD21      LEU  14 114.795   5.001   3.325
  104   3HD2  LEU  14          HD23      LEU  14 113.758   3.686   3.879
  105    H    LEU  15           HN       LEU  15 113.455   8.084   8.958
  106    HA   LEU  15           HA       LEU  15 110.863   8.949   7.885
  107   1HB   LEU  15           HB2      LEU  15 112.274   9.403  10.526
  108   2HB   LEU  15           HB1      LEU  15 110.703  10.108  10.144
  109    HG   LEU  15           HG       LEU  15 111.263   7.141   9.941
  110   1HD1  LEU  15          HD13      LEU  15 111.009   8.754  12.296
  111   2HD1  LEU  15          HD12      LEU  15 109.556   7.768  12.137
  112   3HD1  LEU  15          HD11      LEU  15 111.143   6.999  12.182
  113   1HD2  LEU  15          HD22      LEU  15 108.736   8.819  10.033
  114   2HD2  LEU  15          HD21      LEU  15 109.348   7.920   8.645
  115   3HD2  LEU  15          HD23      LEU  15 108.761   7.056  10.066
  116    H    SER  16           HN       SER  16 113.817   9.988   7.181
  117    HA   SER  16           HA       SER  16 113.503  12.860   7.660
  118   1HB   SER  16           HB2      SER  16 115.554  11.085   6.434
  119   2HB   SER  16           HB1      SER  16 115.500  12.748   5.857
  120    HG   SER  16           HG       SER  16 116.854  12.381   7.733
  121    H    PHE  17           HN       PHE  17 112.431  10.616   5.306
  122    HA   PHE  17           HA       PHE  17 111.287  12.820   3.731
  123   1HB   PHE  17           HB2      PHE  17 112.162  11.550   1.595
  124   2HB   PHE  17           HB1      PHE  17 113.198  12.721   2.407
  125    HD1  PHE  17           HD2      PHE  17 112.405   9.416   3.871
  126    HD2  PHE  17           HD1      PHE  17 115.287  11.722   1.673
  127    HE1  PHE  17           HE2      PHE  17 114.098   7.655   4.244
  128    HE2  PHE  17           HE1      PHE  17 116.981   9.957   2.043
  129    HZ   PHE  17           HZ       PHE  17 116.390   7.920   3.331
  130    H    LEU  18           HN       LEU  18 109.390  11.741   4.732
  131    HA   LEU  18           HA       LEU  18 108.492   9.468   3.028
  132   1HB   LEU  18           HB2      LEU  18 108.844   9.489   5.965
  133   2HB   LEU  18           HB1      LEU  18 107.292   8.865   5.406
  134    HG   LEU  18           HG       LEU  18 109.900   7.947   4.193
  135   1HD1  LEU  18          HD12      LEU  18 108.751   7.323   6.823
  136   2HD1  LEU  18          HD11      LEU  18 109.040   5.895   5.830
  137   3HD1  LEU  18          HD13      LEU  18 110.367   6.997   6.197
  138   1HD2  LEU  18          HD23      LEU  18 107.766   7.527   2.976
  139   2HD2  LEU  18          HD22      LEU  18 108.532   6.030   3.510
  140   3HD2  LEU  18          HD21      LEU  18 107.150   6.678   4.394
  141    H    SER  19           HN       SER  19 105.970   9.126   3.753
  142    HA   SER  19           HA       SER  19 104.756  11.789   3.292
  143   1HB   SER  19           HB2      SER  19 104.016  10.019   1.805
  144   2HB   SER  19           HB1      SER  19 103.622   8.980   3.172
  145    HG   SER  19           HG       SER  19 102.068  10.731   1.978
  146    H    HIS  20           HN       HIS  20 104.348   9.004   5.502
  147    HA   HIS  20           HA       HIS  20 103.642   8.977   7.744
  148   1HB   HIS  20           HB2      HIS  20 103.679  12.000   7.631
  149   2HB   HIS  20           HB1      HIS  20 103.850  10.967   9.051
  150    HD1  HIS  20           HD1      HIS  20 106.008   9.100   8.538
  151    HD2  HIS  20           HD2      HIS  20 106.167  12.940   6.924
  152    HE1  HIS  20           HE1      HIS  20 108.442   9.552   8.004
  153    H    ALA  21           HN       ALA  21 101.745   8.869   5.622
  154    HA   ALA  21           HA       ALA  21  99.348   9.664   7.096
  155   1HB   ALA  21           HB3      ALA  21 100.067  11.734   5.790
  156   2HB   ALA  21           HB2      ALA  21  99.729  10.816   4.323
  157   3HB   ALA  21           HB1      ALA  21  98.431  11.161   5.465
  158    H    VAL  22           HN       VAL  22  97.489   8.541   6.321
  159    HA   VAL  22           HA       VAL  22  98.096   6.503   4.215
  160    HB   VAL  22           HB       VAL  22  95.851   5.877   5.997
  161   1HG1  VAL  22          HG12      VAL  22  98.363   4.507   5.024
  162   2HG1  VAL  22          HG11      VAL  22  97.258   3.739   6.164
  163   3HG1  VAL  22          HG13      VAL  22  96.695   4.184   4.553
  164   1HG2  VAL  22          HG23      VAL  22  98.555   6.519   7.125
  165   2HG2  VAL  22          HG22      VAL  22  96.961   6.744   7.845
  166   3HG2  VAL  22          HG21      VAL  22  97.679   5.135   7.780
  167    H    PHE  23           HN       PHE  23  95.723   8.763   5.505
  168    HA   PHE  23           HA       PHE  23  94.029   8.267   3.093
  169   1HB   PHE  23           HB2      PHE  23  93.221   9.746   5.609
  170   2HB   PHE  23           HB1      PHE  23  92.168   9.134   4.334
  171    HD1  PHE  23           HD1      PHE  23  93.928   6.504   4.054
  172    HD2  PHE  23           HD2      PHE  23  91.975   8.476   7.333
  173    HE1  PHE  23           HE1      PHE  23  93.740   4.337   5.245
  174    HE2  PHE  23           HE2      PHE  23  91.788   6.309   8.524
  175    HZ   PHE  23           HZ       PHE  23  92.670   4.240   7.480
  176    H    SER  24           HN       SER  24  96.196   9.725   2.471
  177    HA   SER  24           HA       SER  24  95.820  12.576   2.928
  178   1HB   SER  24           HB2      SER  24  97.951  11.056   2.150
  179   2HB   SER  24           HB1      SER  24  97.439  11.724   0.603
  180    HG   SER  24           HG       SER  24  98.873  12.917   2.395
  181    H    ASN  25           HN       ASN  25  95.575  14.080   0.984
  182    HA   ASN  25           HA       ASN  25  93.372  13.036  -0.726
  183   1HB   ASN  25           HB2      ASN  25  93.888  15.547   0.611
  184   2HB   ASN  25           HB1      ASN  25  93.670  15.815  -1.119
  185   1HD2  ASN  25          HD22      ASN  25  90.303  15.740   0.590
  186   2HD2  ASN  25          HD21      ASN  25  91.714  16.647   0.849
  187    H    ARG  26           HN       ARG  26  96.421  12.767  -1.100
  188    HA   ARG  26           HA       ARG  26  96.511  13.954  -3.847
  189   1HB   ARG  26           HB2      ARG  26  98.463  13.931  -1.655
  190   2HB   ARG  26           HB1      ARG  26  99.133  13.368  -3.187
  191   1HG   ARG  26           HG2      ARG  26  98.160  15.415  -4.282
  192   2HG   ARG  26           HG1      ARG  26  97.713  15.996  -2.678
  193   1HD   ARG  26           HD2      ARG  26 100.187  15.648  -2.053
  194   2HD   ARG  26           HD1      ARG  26 100.481  15.524  -3.787
  195    HE   ARG  26           HE       ARG  26  99.296  17.850  -3.855
  196   1HH1  ARG  26          HH11      ARG  26  98.887  19.233  -1.738
  197   2HH1  ARG  26          HH12      ARG  26 100.376  19.630  -0.947
  198   1HH2  ARG  26          HH21      ARG  26 102.219  17.222  -2.630
  199   2HH2  ARG  26          HH22      ARG  26 102.262  18.492  -1.452
  200    H    THR  27           HN       THR  27  97.339  12.599  -5.515
  201    HA   THR  27           HA       THR  27  97.126   9.706  -4.896
  202    HB   THR  27           HB       THR  27  97.148   9.475  -7.405
  203    HG1  THR  27           HG1      THR  27  96.852  11.476  -8.533
  204   1HG2  THR  27          HG21      THR  27  95.101  10.125  -5.756
  205   2HG2  THR  27          HG23      THR  27  95.040  11.490  -6.871
  206   3HG2  THR  27          HG22      THR  27  94.895   9.843  -7.485
  207    H    LEU  28           HN       LEU  28  98.987   8.635  -4.462
  208    HA   LEU  28           HA       LEU  28 101.537   9.725  -5.554
  209   1HB   LEU  28           HB2      LEU  28 100.909   7.886  -3.236
  210   2HB   LEU  28           HB1      LEU  28 102.549   8.110  -3.844
  211    HG   LEU  28           HG       LEU  28 101.589  10.708  -3.605
  212   1HD1  LEU  28          HD12      LEU  28  99.652   9.687  -2.324
  213   2HD1  LEU  28          HD11      LEU  28 100.822   9.171  -1.109
  214   3HD1  LEU  28          HD13      LEU  28 100.580  10.889  -1.427
  215   1HD2  LEU  28          HD23      LEU  28 103.264   8.973  -1.770
  216   2HD2  LEU  28          HD22      LEU  28 103.834  10.083  -3.018
  217   3HD2  LEU  28          HD21      LEU  28 103.091  10.714  -1.548
  218    H    ALA  29           HN       ALA  29 103.020   8.278  -6.599
  219    HA   ALA  29           HA       ALA  29 101.751   5.748  -7.582
  220   1HB   ALA  29           HB3      ALA  29 102.210   7.772  -9.215
  221   2HB   ALA  29           HB2      ALA  29 103.874   7.191  -9.146
  222   3HB   ALA  29           HB1      ALA  29 102.591   6.127  -9.725
  223    H    CYS  30           HN       CYS  30 103.755   6.565  -5.339
  224    HA   CYS  30           HA       CYS  30 105.628   4.321  -5.883
  225   1HB   CYS  30           HB2      CYS  30 106.973   6.229  -6.465
  226   2HB   CYS  30           HB1      CYS  30 106.408   7.131  -5.059
  227    HG   CYS  30           HG       CYS  30 108.100   5.987  -3.646
  228    H    PHE  31           HN       PHE  31 105.802   3.020  -4.070
  229    HA   PHE  31           HA       PHE  31 105.123   4.250  -1.444
  230   1HB   PHE  31           HB2      PHE  31 103.956   1.593  -2.257
  231   2HB   PHE  31           HB1      PHE  31 103.490   2.621  -0.906
  232    HD1  PHE  31           HD2      PHE  31 103.763   2.752  -4.655
  233    HD2  PHE  31           HD1      PHE  31 101.613   3.983  -1.145
  234    HE1  PHE  31           HE2      PHE  31 102.078   3.867  -6.083
  235    HE2  PHE  31           HE1      PHE  31  99.923   5.093  -2.570
  236    HZ   PHE  31           HZ       PHE  31 100.145   5.035  -5.040
  237    H    ALA  32           HN       ALA  32 106.062   3.199   0.338
  238    HA   ALA  32           HA       ALA  32 108.048   1.068  -0.343
  239   1HB   ALA  32           HB3      ALA  32 108.312   3.606   1.151
  240   2HB   ALA  32           HB2      ALA  32 109.031   2.205   1.945
  241   3HB   ALA  32           HB1      ALA  32 109.544   2.657   0.320
  242    H    ILE  33           HN       ILE  33 107.218  -0.802   0.481
  243    HA   ILE  33           HA       ILE  33 105.488  -0.754   2.849
  244    HB   ILE  33           HB       ILE  33 106.505  -2.978   1.065
  245   1HG1  ILE  33          HG12      ILE  33 103.620  -2.481   1.503
  246   2HG1  ILE  33          HG11      ILE  33 104.482  -1.180   0.680
  247   1HG2  ILE  33          HG22      ILE  33 104.904  -3.078   3.624
  248   2HG2  ILE  33          HG21      ILE  33 104.768  -4.343   2.403
  249   3HG2  ILE  33          HG23      ILE  33 106.320  -4.031   3.182
  250   1HD1  ILE  33          HD11      ILE  33 105.403  -2.862  -0.923
  251   2HD1  ILE  33          HD13      ILE  33 104.414  -4.097  -0.144
  252   3HD1  ILE  33          HD12      ILE  33 103.644  -2.751  -0.984
  253    H    TYR  34           HN       TYR  34 106.087  -1.397   4.903
  254    HA   TYR  34           HA       TYR  34 108.905  -2.335   5.255
  255   1HB   TYR  34           HB2      TYR  34 108.836  -0.023   5.973
  256   2HB   TYR  34           HB1      TYR  34 107.368  -0.310   6.909
  257    HD1  TYR  34           HD2      TYR  34 110.260  -2.628   6.674
  258    HD2  TYR  34           HD1      TYR  34 108.183   0.245   9.098
  259    HE1  TYR  34           HE2      TYR  34 111.632  -3.284   8.625
  260    HE2  TYR  34           HE1      TYR  34 109.553  -0.409  11.050
  261    HH   TYR  34           HH       TYR  34 112.255  -1.737  11.039
  262    H    THR  35           HN       THR  35 108.600  -4.463   5.817
  263    HA   THR  35           HA       THR  35 107.172  -5.034   8.302
  264    HB   THR  35           HB       THR  35 105.210  -5.766   7.471
  265    HG1  THR  35           HG1      THR  35 106.788  -7.286   5.676
  266   1HG2  THR  35          HG21      THR  35 106.394  -4.977   4.798
  267   2HG2  THR  35          HG23      THR  35 104.701  -5.416   5.036
  268   3HG2  THR  35          HG22      THR  35 105.365  -3.991   5.836
  269    H    THR  36           HN       THR  36 107.147  -7.590   8.561
  270    HA   THR  36           HA       THR  36 109.731  -8.547   8.764
  271    HB   THR  36           HB       THR  36 108.737 -10.858   8.617
  272    HG1  THR  36           HG1      THR  36 106.773 -11.103   7.869
  273   1HG2  THR  36          HG21      THR  36 108.675  -9.402  10.686
  274   2HG2  THR  36          HG23      THR  36 107.035  -8.940  10.228
  275   3HG2  THR  36          HG22      THR  36 107.406 -10.623  10.606
  276    H    LYS  37           HN       LYS  37 111.014 -10.014   7.436
  277    HA   LYS  37           HA       LYS  37 111.201  -9.222   4.703
  278   1HB   LYS  37           HB2      LYS  37 112.926 -10.876   4.528
  279   2HB   LYS  37           HB1      LYS  37 113.038 -10.212   6.154
  280   1HG   LYS  37           HG2      LYS  37 111.604 -12.125   6.950
  281   2HG   LYS  37           HG1      LYS  37 111.744 -12.825   5.337
  282   1HD   LYS  37           HD2      LYS  37 114.027 -13.251   5.571
  283   2HD   LYS  37           HD1      LYS  37 114.230 -12.018   6.816
  284   1HE   LYS  37           HE2      LYS  37 112.865 -13.419   8.370
  285   2HE   LYS  37           HE1      LYS  37 112.805 -14.675   7.133
  286   1HZ   LYS  37           HZ1      LYS  37 115.417 -14.202   7.228
  287   2HZ   LYS  37           HZ3      LYS  37 115.007 -13.853   8.837
  288   3HZ   LYS  37           HZ2      LYS  37 114.647 -15.379   8.182
  289    H    GLU  38           HN       GLU  38 109.897 -12.200   6.195
  290    HA   GLU  38           HA       GLU  38 109.242 -13.598   3.863
  291   1HB   GLU  38           HB2      GLU  38 108.759 -13.918   6.582
  292   2HB   GLU  38           HB1      GLU  38 107.143 -13.791   5.884
  293   1HG   GLU  38           HG2      GLU  38 107.447 -15.665   4.509
  294   2HG   GLU  38           HG1      GLU  38 109.206 -15.562   4.596
  295    H    LYS  39           HN       LYS  39 107.453 -11.006   5.487
  296    HA   LYS  39           HA       LYS  39 105.087 -11.155   3.879
  297   1HB   LYS  39           HB2      LYS  39 106.113  -9.491   5.951
  298   2HB   LYS  39           HB1      LYS  39 105.644  -8.438   4.617
  299   1HG   LYS  39           HG2      LYS  39 103.417  -9.404   4.566
  300   2HG   LYS  39           HG1      LYS  39 103.870 -10.603   5.778
  301   1HD   LYS  39           HD2      LYS  39 104.448  -8.602   7.291
  302   2HD   LYS  39           HD1      LYS  39 103.553  -7.621   6.130
  303   1HE   LYS  39           HE2      LYS  39 101.791  -8.166   7.491
  304   2HE   LYS  39           HE1      LYS  39 101.770  -9.614   6.486
  305   1HZ   LYS  39           HZ2      LYS  39 103.221  -9.337   9.060
  306   2HZ   LYS  39           HZ1      LYS  39 101.743 -10.146   8.851
  307   3HZ   LYS  39           HZ3      LYS  39 103.144 -10.737   8.101
  308    H    ALA  40           HN       ALA  40 107.861  -8.906   3.639
  309    HA   ALA  40           HA       ALA  40 107.097  -7.674   1.215
  310   1HB   ALA  40           HB2      ALA  40 109.753  -8.162   2.546
  311   2HB   ALA  40           HB1      ALA  40 109.684  -7.403   0.955
  312   3HB   ALA  40           HB3      ALA  40 108.885  -6.642   2.331
  313    H    ALA  41           HN       ALA  41 108.497 -10.827   1.783
  314    HA   ALA  41           HA       ALA  41 109.494 -11.258  -0.886
  315   1HB   ALA  41           HB2      ALA  41 108.616 -13.208   1.264
  316   2HB   ALA  41           HB1      ALA  41 109.409 -13.685  -0.238
  317   3HB   ALA  41           HB3      ALA  41 110.263 -12.675   0.929
  318    H    LEU  42           HN       LEU  42 106.353 -11.745   0.649
  319    HA   LEU  42           HA       LEU  42 105.252 -13.115  -1.695
  320   1HB   LEU  42           HB2      LEU  42 104.029 -12.037   0.855
  321   2HB   LEU  42           HB1      LEU  42 103.062 -12.766  -0.428
  322    HG   LEU  42           HG       LEU  42 105.421 -14.351   0.351
  323   1HD1  LEU  42          HD11      LEU  42 104.715 -13.392   2.549
  324   2HD1  LEU  42          HD13      LEU  42 103.099 -14.047   2.281
  325   3HD1  LEU  42          HD12      LEU  42 104.474 -15.137   2.458
  326   1HD2  LEU  42          HD23      LEU  42 103.595 -15.085  -1.193
  327   2HD2  LEU  42          HD22      LEU  42 103.791 -16.164   0.188
  328   3HD2  LEU  42          HD21      LEU  42 102.463 -15.004   0.156
  329    H    LEU  43           HN       LEU  43 105.205  -9.854  -0.321
  330    HA   LEU  43           HA       LEU  43 103.304  -8.849  -2.289
  331   1HB   LEU  43           HB2      LEU  43 105.215  -7.273  -0.542
  332   2HB   LEU  43           HB1      LEU  43 103.743  -6.678  -1.312
  333    HG   LEU  43           HG       LEU  43 103.966  -8.709   0.918
  334   1HD1  LEU  43          HD11      LEU  43 102.577  -6.026   0.649
  335   2HD1  LEU  43          HD13      LEU  43 102.450  -7.087   2.052
  336   3HD1  LEU  43          HD12      LEU  43 104.005  -6.372   1.626
  337   1HD2  LEU  43          HD21      LEU  43 101.579  -7.939  -0.792
  338   2HD2  LEU  43          HD23      LEU  43 102.314  -9.538  -0.665
  339   3HD2  LEU  43          HD22      LEU  43 101.465  -8.846   0.716
  340    H    TYR  44           HN       TYR  44 106.692  -9.450  -2.236
  341    HA   TYR  44           HA       TYR  44 107.502  -7.434  -4.115
  342   1HB   TYR  44           HB2      TYR  44 109.063  -8.782  -2.666
  343   2HB   TYR  44           HB1      TYR  44 108.751 -10.165  -3.715
  344    HD1  TYR  44           HD2      TYR  44 109.005  -9.631  -6.323
  345    HD2  TYR  44           HD1      TYR  44 110.890  -7.416  -3.172
  346    HE1  TYR  44           HE2      TYR  44 110.722  -8.836  -7.915
  347    HE2  TYR  44           HE1      TYR  44 112.617  -6.621  -4.763
  348    HH   TYR  44           HH       TYR  44 112.342  -6.577  -7.900
  349    H    LYS  45           HN       LYS  45 106.983 -10.943  -4.627
  350    HA   LYS  45           HA       LYS  45 106.930 -10.684  -7.499
  351   1HB   LYS  45           HB2      LYS  45 106.824 -12.802  -5.570
  352   2HB   LYS  45           HB1      LYS  45 105.486 -13.005  -6.701
  353   1HG   LYS  45           HG2      LYS  45 107.330 -12.472  -8.511
  354   2HG   LYS  45           HG1      LYS  45 108.436 -13.001  -7.242
  355   1HD   LYS  45           HD2      LYS  45 106.217 -14.827  -7.383
  356   2HD   LYS  45           HD1      LYS  45 106.912 -14.632  -8.992
  357   1HE   LYS  45           HE2      LYS  45 109.196 -14.974  -7.888
  358   2HE   LYS  45           HE1      LYS  45 108.310 -15.508  -6.460
  359   1HZ   LYS  45           HZ1      LYS  45 107.181 -16.826  -8.607
  360   2HZ   LYS  45           HZ3      LYS  45 108.856 -16.925  -8.848
  361   3HZ   LYS  45           HZ2      LYS  45 108.173 -17.492  -7.399
  362    H    LYS  46           HN       LYS  46 104.478 -10.471  -4.988
  363    HA   LYS  46           HA       LYS  46 102.197 -10.816  -6.705
  364   1HB   LYS  46           HB2      LYS  46 102.650  -9.629  -3.985
  365   2HB   LYS  46           HB1      LYS  46 101.106  -9.364  -4.796
  366   1HG   LYS  46           HG2      LYS  46 101.311 -11.994  -5.229
  367   2HG   LYS  46           HG1      LYS  46 102.291 -11.901  -3.765
  368   1HD   LYS  46           HD2      LYS  46 100.266 -10.425  -2.899
  369   2HD   LYS  46           HD1      LYS  46  99.378 -11.316  -4.135
  370   1HE   LYS  46           HE2      LYS  46 101.155 -12.813  -2.232
  371   2HE   LYS  46           HE1      LYS  46  99.553 -12.300  -1.702
  372   1HZ   LYS  46           HZ3      LYS  46  99.984 -13.769  -4.234
  373   2HZ   LYS  46           HZ2      LYS  46  99.718 -14.568  -2.758
  374   3HZ   LYS  46           HZ1      LYS  46  98.530 -13.533  -3.394
  375    H    ILE  47           HN       ILE  47 103.299  -7.753  -5.197
  376    HA   ILE  47           HA       ILE  47 101.836  -6.032  -6.887
  377    HB   ILE  47           HB       ILE  47 104.580  -5.511  -5.719
  378   1HG1  ILE  47          HG12      ILE  47 102.118  -6.115  -4.420
  379   2HG1  ILE  47          HG11      ILE  47 103.619  -5.577  -3.681
  380   1HG2  ILE  47          HG23      ILE  47 103.555  -3.955  -7.513
  381   2HG2  ILE  47          HG22      ILE  47 102.409  -3.484  -6.262
  382   3HG2  ILE  47          HG21      ILE  47 104.135  -3.221  -6.023
  383   1HD1  ILE  47          HD11      ILE  47 102.863  -3.187  -4.284
  384   2HD1  ILE  47          HD13      ILE  47 101.274  -3.896  -4.584
  385   3HD1  ILE  47          HD12      ILE  47 101.996  -3.994  -2.977
  386    H    MET  48           HN       MET  48 104.810  -7.774  -7.484
  387    HA   MET  48           HA       MET  48 106.061  -6.406  -9.519
  388   1HB   MET  48           HB2      MET  48 106.471  -8.815  -8.582
  389   2HB   MET  48           HB1      MET  48 105.461  -9.322  -9.937
  390   1HG   MET  48           HG2      MET  48 106.976  -7.980 -11.452
  391   2HG   MET  48           HG1      MET  48 108.046  -7.748 -10.069
  392   1HE   MET  48           HE1      MET  48 109.663  -8.731  -9.606
  393   2HE   MET  48           HE3      MET  48 109.453 -10.338  -8.897
  394   3HE   MET  48           HE2      MET  48 110.401 -10.138 -10.368
  395    H    GLU  49           HN       GLU  49 102.960  -8.102  -9.771
  396    HA   GLU  49           HA       GLU  49 102.729  -6.986 -12.540
  397   1HB   GLU  49           HB2      GLU  49 102.564  -9.700 -11.681
  398   2HB   GLU  49           HB1      GLU  49 100.949  -9.197 -12.182
  399   1HG   GLU  49           HG2      GLU  49 101.794  -8.446 -14.334
  400   2HG   GLU  49           HG1      GLU  49 103.454  -8.775 -13.836
  401    H    LYS  50           HN       LYS  50 101.611  -6.660  -9.454
  402    HA   LYS  50           HA       LYS  50  98.770  -6.291 -10.169
  403   1HB   LYS  50           HB2      LYS  50  99.506  -7.275  -7.958
  404   2HB   LYS  50           HB1      LYS  50 100.123  -5.678  -7.533
  405   1HG   LYS  50           HG2      LYS  50  98.044  -4.828  -7.192
  406   2HG   LYS  50           HG1      LYS  50  97.366  -5.677  -8.578
  407   1HD   LYS  50           HD2      LYS  50  96.557  -6.367  -6.207
  408   2HD   LYS  50           HD1      LYS  50  96.986  -7.646  -7.342
  409   1HE   LYS  50           HE2      LYS  50  99.303  -6.715  -5.833
  410   2HE   LYS  50           HE1      LYS  50  98.024  -7.310  -4.774
  411   1HZ   LYS  50           HZ1      LYS  50  98.482  -8.941  -7.105
  412   2HZ   LYS  50           HZ3      LYS  50  99.812  -8.864  -6.055
  413   3HZ   LYS  50           HZ2      LYS  50  98.305  -9.395  -5.478
  414    H    TYR  51           HN       TYR  51 101.661  -4.391  -9.776
  415    HA   TYR  51           HA       TYR  51 100.064  -1.969 -10.450
  416   1HB   TYR  51           HB2      TYR  51 102.084  -2.222  -8.208
  417   2HB   TYR  51           HB1      TYR  51 101.572  -0.668  -8.867
  418    HD1  TYR  51           HD2      TYR  51 100.539  -3.631  -6.941
  419    HD2  TYR  51           HD1      TYR  51  99.292   0.162  -8.532
  420    HE1  TYR  51           HE2      TYR  51  98.524  -3.687  -5.506
  421    HE2  TYR  51           HE1      TYR  51  97.278   0.104  -7.103
  422    HH   TYR  51           HH       TYR  51  95.950  -2.286  -5.889
  423    H    SER  52           HN       SER  52 102.147  -3.917 -11.724
  424    HA   SER  52           HA       SER  52 104.083  -3.720 -13.070
  425   1HB   SER  52           HB2      SER  52 102.404  -1.290 -13.575
  426   2HB   SER  52           HB1      SER  52 104.010  -1.361 -14.295
  427    HG   SER  52           HG       SER  52 103.265  -2.756 -15.670
  428    H    VAL  53           HN       VAL  53 104.740  -3.314 -10.479
  429    HA   VAL  53           HA       VAL  53 105.743  -1.016  -9.436
  430    HB   VAL  53           HB       VAL  53 107.559  -2.312  -8.420
  431   1HG1  VAL  53          HG13      VAL  53 104.933  -2.697  -8.030
  432   2HG1  VAL  53          HG12      VAL  53 105.352  -4.313  -8.600
  433   3HG1  VAL  53          HG11      VAL  53 106.150  -3.646  -7.175
  434   1HG2  VAL  53          HG23      VAL  53 106.970  -4.089 -10.757
  435   2HG2  VAL  53          HG22      VAL  53 108.524  -3.654 -10.046
  436   3HG2  VAL  53          HG21      VAL  53 107.493  -4.844  -9.251
  437    H    THR  54           HN       THR  54 106.926   0.619 -10.253
  438    HA   THR  54           HA       THR  54 108.463   0.398 -12.689
  439    HB   THR  54           HB       THR  54 108.846   2.565 -10.626
  440    HG1  THR  54           HG1      THR  54 106.847   2.756 -12.561
  441   1HG2  THR  54          HG23      THR  54 110.045   2.258 -12.981
  442   2HG2  THR  54          HG22      THR  54 108.550   2.984 -13.570
  443   3HG2  THR  54          HG21      THR  54 109.554   3.852 -12.410
  444    H    PHE  55           HN       PHE  55 109.045  -0.526  -9.507
  445    HA   PHE  55           HA       PHE  55 111.629  -1.571  -9.961
  446   1HB   PHE  55           HB2      PHE  55 112.591   0.577 -10.049
  447   2HB   PHE  55           HB1      PHE  55 111.512   1.214  -8.816
  448    HD1  PHE  55           HD2      PHE  55 114.005  -1.621  -9.095
  449    HD2  PHE  55           HD1      PHE  55 112.488   1.650  -6.792
  450    HE1  PHE  55           HE2      PHE  55 115.712  -2.051  -7.356
  451    HE2  PHE  55           HE1      PHE  55 114.169   1.210  -5.026
  452    HZ   PHE  55           HZ       PHE  55 115.792  -0.649  -5.316
  453    H    ILE  56           HN       ILE  56 111.372  -3.259  -8.596
  454    HA   ILE  56           HA       ILE  56 110.227  -2.685  -5.907
  455    HB   ILE  56           HB       ILE  56 108.678  -3.974  -7.272
  456   1HG1  ILE  56          HG12      ILE  56 110.052  -5.819  -5.293
  457   2HG1  ILE  56          HG11      ILE  56 108.897  -4.559  -4.854
  458   1HG2  ILE  56          HG22      ILE  56 111.119  -5.212  -8.163
  459   2HG2  ILE  56          HG21      ILE  56 109.994  -6.447  -7.598
  460   3HG2  ILE  56          HG23      ILE  56 109.504  -5.318  -8.860
  461   1HD1  ILE  56          HD11      ILE  56 107.735  -6.048  -6.977
  462   2HD1  ILE  56          HD13      ILE  56 108.354  -7.212  -5.808
  463   3HD1  ILE  56          HD12      ILE  56 107.208  -5.975  -5.296
  464    H    SER  57           HN       SER  57 111.945  -2.706  -4.507
  465    HA   SER  57           HA       SER  57 113.905  -4.957  -4.811
  466   1HB   SER  57           HB2      SER  57 114.792  -2.658  -5.378
  467   2HB   SER  57           HB1      SER  57 114.515  -2.214  -3.698
  468    HG   SER  57           HG       SER  57 116.664  -2.998  -4.157
  469    H    ARG  58           HN       ARG  58 114.169  -6.216  -3.032
  470    HA   ARG  58           HA       ARG  58 112.798  -5.403  -0.530
  471   1HB   ARG  58           HB2      ARG  58 113.087  -7.854  -1.830
  472   2HB   ARG  58           HB1      ARG  58 114.215  -7.962  -0.478
  473   1HG   ARG  58           HG2      ARG  58 112.482  -7.471   1.114
  474   2HG   ARG  58           HG1      ARG  58 111.344  -7.051  -0.167
  475   1HD   ARG  58           HD2      ARG  58 111.110  -9.395   0.876
  476   2HD   ARG  58           HD1      ARG  58 111.148  -9.303  -0.884
  477    HE   ARG  58           HE       ARG  58 113.807  -9.667   0.176
  478   1HH1  ARG  58          HH11      ARG  58 111.257 -11.060  -1.522
  479   2HH1  ARG  58          HH12      ARG  58 111.760 -12.698  -1.274
  480   1HH2  ARG  58          HH21      ARG  58 114.283 -11.868   0.954
  481   2HH2  ARG  58          HH22      ARG  58 113.472 -13.156   0.127
  482    H    HIS  59           HN       HIS  59 114.030  -4.245   0.893
  483    HA   HIS  59           HA       HIS  59 116.967  -4.819   0.963
  484   1HB   HIS  59           HB2      HIS  59 115.470  -2.303   1.760
  485   2HB   HIS  59           HB1      HIS  59 117.217  -2.527   1.864
  486    HD1  HIS  59           HD1      HIS  59 118.559  -2.142  -0.239
  487    HD2  HIS  59           HD2      HIS  59 114.468  -2.372  -1.005
  488    HE1  HIS  59           HE1      HIS  59 118.250  -1.517  -2.674
  489    H    ASN  60           HN       ASN  60 117.929  -4.322   3.212
  490    HA   ASN  60           HA       ASN  60 116.093  -5.451   5.287
  491   1HB   ASN  60           HB2      ASN  60 119.096  -5.552   5.472
  492   2HB   ASN  60           HB1      ASN  60 117.904  -6.612   6.225
  493   1HD2  ASN  60          HD22      ASN  60 117.722  -8.807   3.463
  494   2HD2  ASN  60          HD21      ASN  60 117.144  -8.422   5.012
  495    H    SER  61           HN       SER  61 115.948  -4.368   7.253
  496    HA   SER  61           HA       SER  61 117.416  -1.768   7.400
  497   1HB   SER  61           HB2      SER  61 115.467  -1.275   9.085
  498   2HB   SER  61           HB1      SER  61 115.153  -1.189   7.354
  499    HG   SER  61           HG       SER  61 113.609  -2.450   8.564
  500    H    TYR  62           HN       TYR  62 115.651  -3.224  10.064
  501    HA   TYR  62           HA       TYR  62 118.258  -3.823  11.397
  502   1HB   TYR  62           HB2      TYR  62 115.866  -2.529  12.737
  503   2HB   TYR  62           HB1      TYR  62 117.445  -2.838  13.459
  504    HD1  TYR  62           HD1      TYR  62 115.555  -0.742  11.091
  505    HD2  TYR  62           HD2      TYR  62 119.399  -1.495  12.855
  506    HE1  TYR  62           HE1      TYR  62 116.368   1.436  10.249
  507    HE2  TYR  62           HE2      TYR  62 120.212   0.683  12.012
  508    HH   TYR  62           HH       TYR  62 118.576   3.090  11.254
  509    H    ASN  63           HN       ASN  63 114.718  -4.326  11.511
  510    HA   ASN  63           HA       ASN  63 115.294  -7.073  12.549
  511   1HB   ASN  63           HB2      ASN  63 112.881  -5.369  13.231
  512   2HB   ASN  63           HB1      ASN  63 113.272  -6.957  13.893
  513   1HD2  ASN  63          HD22      ASN  63 114.748  -3.760  15.736
  514   2HD2  ASN  63          HD21      ASN  63 113.422  -3.733  14.676
  515    H    HIS  64           HN       HIS  64 113.931  -5.219  10.067
  516    HA   HIS  64           HA       HIS  64 112.650  -7.653   8.970
  517   1HB   HIS  64           HB2      HIS  64 111.226  -4.989   9.228
  518   2HB   HIS  64           HB1      HIS  64 110.608  -6.392   8.355
  519    HD1  HIS  64           HD1      HIS  64 110.190  -4.841  11.485
  520    HD2  HIS  64           HD2      HIS  64 110.792  -8.805  10.345
  521    HE1  HIS  64           HE1      HIS  64 109.403  -6.272  13.420
  522    H    ASN  65           HN       ASN  65 111.478  -6.264   6.723
  523    HA   ASN  65           HA       ASN  65 113.906  -5.075   5.454
  524   1HB   ASN  65           HB2      ASN  65 112.090  -7.228   4.340
  525   2HB   ASN  65           HB1      ASN  65 113.260  -6.339   3.365
  526   1HD2  ASN  65          HD22      ASN  65 114.725  -8.857   6.282
  527   2HD2  ASN  65          HD21      ASN  65 113.223  -8.106   6.524
  528    H    ILE  66           HN       ILE  66 113.424  -3.709   3.594
  529    HA   ILE  66           HA       ILE  66 110.692  -2.511   3.766
  530    HB   ILE  66           HB       ILE  66 113.381  -1.384   2.946
  531   1HG1  ILE  66          HG12      ILE  66 112.781   0.299   4.687
  532   2HG1  ILE  66          HG11      ILE  66 111.301  -0.605   5.012
  533   1HG2  ILE  66          HG22      ILE  66 111.332   0.612   2.863
  534   2HG2  ILE  66          HG21      ILE  66 112.382   0.078   1.550
  535   3HG2  ILE  66          HG23      ILE  66 110.831  -0.718   1.823
  536   1HD1  ILE  66          HD11      ILE  66 113.988  -1.965   5.113
  537   2HD1  ILE  66          HD13      ILE  66 113.373  -1.078   6.508
  538   3HD1  ILE  66          HD12      ILE  66 112.475  -2.456   5.873
  539    H    LEU  67           HN       LEU  67 109.487  -3.553   2.194
  540    HA   LEU  67           HA       LEU  67 110.696  -4.325  -0.358
  541   1HB   LEU  67           HB2      LEU  67 108.893  -5.703   0.555
  542   2HB   LEU  67           HB1      LEU  67 107.803  -4.318   0.565
  543    HG   LEU  67           HG       LEU  67 108.479  -4.207  -2.005
  544   1HD1  LEU  67          HD13      LEU  67 109.127  -7.009  -1.120
  545   2HD1  LEU  67          HD12      LEU  67 108.539  -6.703  -2.753
  546   3HD1  LEU  67          HD11      LEU  67 110.035  -5.952  -2.200
  547   1HD2  LEU  67          HD22      LEU  67 106.424  -5.794  -0.540
  548   2HD2  LEU  67          HD21      LEU  67 106.214  -4.467  -1.683
  549   3HD2  LEU  67          HD23      LEU  67 106.583  -6.088  -2.272
  550    H    PHE  68           HN       PHE  68 111.335  -2.500  -1.444
  551    HA   PHE  68           HA       PHE  68 109.651  -0.145  -1.658
  552   1HB   PHE  68           HB2      PHE  68 112.355  -0.824  -2.205
  553   2HB   PHE  68           HB1      PHE  68 111.646  -0.340  -3.741
  554    HD1  PHE  68           HD2      PHE  68 109.555   1.535  -2.071
  555    HD2  PHE  68           HD1      PHE  68 113.824   1.162  -2.379
  556    HE1  PHE  68           HE2      PHE  68 109.809   3.892  -1.395
  557    HE2  PHE  68           HE1      PHE  68 114.072   3.525  -1.706
  558    HZ   PHE  68           HZ       PHE  68 112.066   4.898  -1.217
  559    H    PHE  69           HN       PHE  69 108.394   0.431  -3.504
  560    HA   PHE  69           HA       PHE  69 108.527  -1.119  -5.930
  561   1HB   PHE  69           HB2      PHE  69 106.551  -2.388  -5.835
  562   2HB   PHE  69           HB1      PHE  69 107.298  -2.645  -4.263
  563    HD1  PHE  69           HD2      PHE  69 106.473  -1.310  -2.272
  564    HD2  PHE  69           HD1      PHE  69 104.419  -1.377  -6.042
  565    HE1  PHE  69           HE2      PHE  69 104.406  -0.504  -1.163
  566    HE2  PHE  69           HE1      PHE  69 102.354  -0.581  -4.937
  567    HZ   PHE  69           HZ       PHE  69 102.345  -0.140  -2.495
  568    H    LEU  70           HN       LEU  70 108.359   0.538  -7.268
  569    HA   LEU  70           HA       LEU  70 106.677   2.864  -6.694
  570   1HB   LEU  70           HB2      LEU  70 108.795   2.142  -8.568
  571   2HB   LEU  70           HB1      LEU  70 107.471   2.978  -9.378
  572    HG   LEU  70           HG       LEU  70 107.598   4.732  -7.547
  573   1HD1  LEU  70          HD12      LEU  70 110.109   3.154  -6.926
  574   2HD1  LEU  70          HD11      LEU  70 109.842   4.807  -6.369
  575   3HD1  LEU  70          HD13      LEU  70 108.772   3.510  -5.831
  576   1HD2  LEU  70          HD21      LEU  70 109.470   4.207  -9.745
  577   2HD2  LEU  70          HD23      LEU  70 108.626   5.699  -9.322
  578   3HD2  LEU  70          HD22      LEU  70 110.139   5.285  -8.514
  579    H    THR  71           HN       THR  71 105.473   3.524  -9.030
  580    HA   THR  71           HA       THR  71 104.039   1.248 -10.180
  581    HB   THR  71           HB       THR  71 101.798   2.086  -9.434
  582    HG1  THR  71           HG1      THR  71 102.153   4.121  -8.797
  583   1HG2  THR  71          HG21      THR  71 103.196   0.252  -8.257
  584   2HG2  THR  71          HG23      THR  71 103.489   1.471  -7.016
  585   3HG2  THR  71          HG22      THR  71 101.842   0.950  -7.368
  586    HA   PRO  72           HA       PRO  72 103.764   4.241 -13.395
  587   1HB   PRO  72           HB2      PRO  72 101.964   2.901 -14.988
  588   2HB   PRO  72           HB1      PRO  72 103.677   2.468 -14.860
  589   1HG   PRO  72           HG2      PRO  72 101.306   1.085 -13.708
  590   2HG   PRO  72           HG1      PRO  72 102.895   0.427 -14.126
  591   1HD   PRO  72           HD2      PRO  72 101.998   1.083 -11.515
  592   2HD   PRO  72           HD1      PRO  72 103.670   0.712 -11.988
  593    H    HIS  73           HN       HIS  73 100.459   2.908 -13.461
  594    HA   HIS  73           HA       HIS  73  99.154   5.356 -13.786
  595   1HB   HIS  73           HB2      HIS  73  97.130   4.258 -12.812
  596   2HB   HIS  73           HB1      HIS  73  97.935   3.258 -14.017
  597    HD1  HIS  73           HD1      HIS  73  96.513   3.005 -10.760
  598    HD2  HIS  73           HD2      HIS  73  99.909   1.389 -12.554
  599    HE1  HIS  73           HE1      HIS  73  97.180   0.998  -9.360
  600    H    ARG  74           HN       ARG  74  97.605   6.321 -11.984
  601    HA   ARG  74           HA       ARG  74  99.364   6.873  -9.638
  602   1HB   ARG  74           HB2      ARG  74  97.248   8.436 -11.086
  603   2HB   ARG  74           HB1      ARG  74  97.571   8.798  -9.390
  604   1HG   ARG  74           HG2      ARG  74 100.029   8.966 -10.011
  605   2HG   ARG  74           HG1      ARG  74  99.524   8.898 -11.700
  606   1HD   ARG  74           HD2      ARG  74  97.840  10.811 -10.547
  607   2HD   ARG  74           HD1      ARG  74  99.424  11.136  -9.842
  608    HE   ARG  74           HE       ARG  74  99.169  10.854 -12.799
  609   1HH1  ARG  74          HH21      ARG  74 101.714  11.676 -11.355
  610   2HH1  ARG  74          HH22      ARG  74 101.694  13.393 -11.583
  611   1HH2  ARG  74          HH11      ARG  74  98.352  13.500 -12.498
  612   2HH2  ARG  74          HH12      ARG  74  99.791  14.425 -12.230
  613    H    HIS  75           HN       HIS  75  98.525   6.708  -7.523
  614    HA   HIS  75           HA       HIS  75  95.740   5.790  -7.165
  615   1HB   HIS  75           HB2      HIS  75  97.337   4.043  -5.569
  616   2HB   HIS  75           HB1      HIS  75  96.225   3.609  -6.866
  617    HD1  HIS  75           HD1      HIS  75  97.397   3.968  -9.392
  618    HD2  HIS  75           HD2      HIS  75  99.926   3.340  -6.144
  619    HE1  HIS  75           HE1      HIS  75  99.629   3.238 -10.343
  620    H    ARG  76           HN       ARG  76  95.055   5.974  -4.944
  621    HA   ARG  76           HA       ARG  76  96.625   7.963  -3.441
  622   1HB   ARG  76           HB2      ARG  76  93.842   7.070  -3.534
  623   2HB   ARG  76           HB1      ARG  76  94.433   7.234  -1.880
  624   1HG   ARG  76           HG2      ARG  76  95.375   9.514  -2.641
  625   2HG   ARG  76           HG1      ARG  76  94.319   9.335  -4.043
  626   1HD   ARG  76           HD2      ARG  76  93.380   9.176  -1.165
  627   2HD   ARG  76           HD1      ARG  76  93.249  10.614  -2.178
  628    HE   ARG  76           HE       ARG  76  91.997   8.105  -3.156
  629   1HH1  ARG  76          HH21      ARG  76  91.117  10.281  -4.684
  630   2HH1  ARG  76          HH22      ARG  76  89.744  10.925  -3.849
  631   1HH2  ARG  76          HH11      ARG  76  90.504   9.366  -0.846
  632   2HH2  ARG  76          HH12      ARG  76  89.396  10.407  -1.676
  633    H    VAL  77           HN       VAL  77  97.594   7.539  -1.421
  634    HA   VAL  77           HA       VAL  77  98.609   4.946  -0.944
  635    HB   VAL  77           HB       VAL  77  98.274   7.354   0.848
  636   1HG1  VAL  77          HG13      VAL  77  99.387   4.619   1.504
  637   2HG1  VAL  77          HG12      VAL  77  99.884   6.067   2.380
  638   3HG1  VAL  77          HG11      VAL  77  98.197   5.554   2.410
  639   1HG2  VAL  77          HG23      VAL  77  99.941   7.397  -1.005
  640   2HG2  VAL  77          HG22      VAL  77 100.709   7.465   0.582
  641   3HG2  VAL  77          HG21      VAL  77 100.697   5.954  -0.329
  642    H    SER  78           HN       SER  78  95.483   6.222  -0.293
  643    HA   SER  78           HA       SER  78  94.802   4.468   1.910
  644   1HB   SER  78           HB2      SER  78  92.707   5.423   1.786
  645   2HB   SER  78           HB1      SER  78  93.605   6.645   0.891
  646    HG   SER  78           HG       SER  78  91.616   5.678  -0.089
  647    H    ALA  79           HN       ALA  79  94.443   4.304  -1.624
  648    HA   ALA  79           HA       ALA  79  93.030   1.780  -1.608
  649   1HB   ALA  79           HB2      ALA  79  93.067   3.436  -3.524
  650   2HB   ALA  79           HB1      ALA  79  94.723   2.922  -3.848
  651   3HB   ALA  79           HB3      ALA  79  93.396   1.769  -3.993
  652    H    ILE  80           HN       ILE  80  96.434   2.630  -2.347
  653    HA   ILE  80           HA       ILE  80  97.359  -0.056  -2.601
  654    HB   ILE  80           HB       ILE  80  98.868   2.397  -1.635
  655   1HG1  ILE  80          HG12      ILE  80  97.732   2.496  -3.927
  656   2HG1  ILE  80          HG11      ILE  80  99.476   2.754  -3.923
  657   1HG2  ILE  80          HG21      ILE  80  99.721  -0.359  -2.513
  658   2HG2  ILE  80          HG23      ILE  80 100.808   1.021  -2.667
  659   3HG2  ILE  80          HG22      ILE  80 100.213   0.539  -1.078
  660   1HD1  ILE  80          HD13      ILE  80  99.783   0.326  -4.449
  661   2HD1  ILE  80          HD12      ILE  80  98.032   0.177  -4.597
  662   3HD1  ILE  80          HD11      ILE  80  98.927   1.208  -5.715
  663    H    ASN  81           HN       ASN  81  96.694   1.971   0.168
  664    HA   ASN  81           HA       ASN  81  98.108   0.375   2.117
  665   1HB   ASN  81           HB2      ASN  81  97.474   2.670   2.644
  666   2HB   ASN  81           HB1      ASN  81  95.768   2.285   2.410
  667   1HD2  ASN  81          HD22      ASN  81  95.463   0.556   5.535
  668   2HD2  ASN  81          HD21      ASN  81  94.801   0.685   3.978
  669    H    ASN  82           HN       ASN  82  94.942   0.209   0.617
  670    HA   ASN  82           HA       ASN  82  93.780  -1.643   2.502
  671   1HB   ASN  82           HB2      ASN  82  92.848  -0.224   0.321
  672   2HB   ASN  82           HB1      ASN  82  92.861  -1.883  -0.280
  673   1HD2  ASN  82          HD22      ASN  82  89.611  -1.279   1.505
  674   2HD2  ASN  82          HD21      ASN  82  90.388  -0.543   0.188
  675    H    TYR  83           HN       TYR  83  95.875  -1.957  -0.294
  676    HA   TYR  83           HA       TYR  83  95.533  -4.855  -0.496
  677   1HB   TYR  83           HB2      TYR  83  96.147  -3.674  -2.503
  678   2HB   TYR  83           HB1      TYR  83  97.514  -2.904  -1.702
  679    HD1  TYR  83           HD1      TYR  83  96.968  -6.355  -0.756
  680    HD2  TYR  83           HD2      TYR  83  98.848  -3.825  -3.675
  681    HE1  TYR  83           HE1      TYR  83  98.440  -8.225  -1.434
  682    HE2  TYR  83           HE2      TYR  83 100.314  -5.696  -4.355
  683    HH   TYR  83           HH       TYR  83 101.095  -8.077  -2.791
  684    H    ALA  84           HN       ALA  84  98.500  -2.956   0.183
  685    HA   ALA  84           HA       ALA  84  99.973  -5.024   1.360
  686   1HB   ALA  84           HB2      ALA  84  99.950  -2.058   1.963
  687   2HB   ALA  84           HB1      ALA  84 101.132  -3.168   2.658
  688   3HB   ALA  84           HB3      ALA  84 101.062  -2.935   0.911
  689    H    GLN  85           HN       GLN  85  97.470  -3.003   2.812
  690    HA   GLN  85           HA       GLN  85  97.927  -3.878   5.524
  691   1HB   GLN  85           HB2      GLN  85  96.643  -1.823   4.938
  692   2HB   GLN  85           HB1      GLN  85  95.363  -2.842   4.277
  693   1HG   GLN  85           HG2      GLN  85  94.576  -2.503   6.439
  694   2HG   GLN  85           HG1      GLN  85  95.485  -4.001   6.646
  695   1HE2  GLN  85          HE22      GLN  85  98.112  -2.455   8.527
  696   2HE2  GLN  85          HE21      GLN  85  97.736  -3.785   7.542
  697    H    LYS  86           HN       LYS  86  95.899  -5.066   2.872
  698    HA   LYS  86           HA       LYS  86  94.395  -6.973   4.363
  699   1HB   LYS  86           HB2      LYS  86  94.604  -6.231   1.683
  700   2HB   LYS  86           HB1      LYS  86  95.152  -7.907   1.699
  701   1HG   LYS  86           HG2      LYS  86  93.111  -8.591   2.870
  702   2HG   LYS  86           HG1      LYS  86  92.566  -6.914   2.932
  703   1HD   LYS  86           HD2      LYS  86  92.043  -6.853   0.687
  704   2HD   LYS  86           HD1      LYS  86  93.283  -8.032   0.259
  705   1HE   LYS  86           HE2      LYS  86  91.929  -9.835   0.723
  706   2HE   LYS  86           HE1      LYS  86  91.047  -8.980   1.988
  707   1HZ   LYS  86           HZ2      LYS  86  90.486  -7.600  -0.307
  708   2HZ   LYS  86           HZ1      LYS  86  90.438  -9.229  -0.787
  709   3HZ   LYS  86           HZ3      LYS  86  89.456  -8.693   0.487
  710    H    LEU  87           HN       LEU  87  97.720  -6.834   3.608
  711    HA   LEU  87           HA       LEU  87  98.070  -9.760   4.009
  712   1HB   LEU  87           HB2      LEU  87 100.172  -7.690   3.315
  713   2HB   LEU  87           HB1      LEU  87 100.310  -9.444   3.174
  714    HG   LEU  87           HG       LEU  87  97.982  -8.404   1.752
  715   1HD1  LEU  87          HD11      LEU  87 100.582  -7.058   1.431
  716   2HD1  LEU  87          HD13      LEU  87  99.896  -7.668  -0.075
  717   3HD1  LEU  87          HD12      LEU  87  98.976  -6.541   0.918
  718   1HD2  LEU  87          HD22      LEU  87 100.307 -10.235   1.301
  719   2HD2  LEU  87          HD21      LEU  87  98.580 -10.560   1.147
  720   3HD2  LEU  87          HD23      LEU  87  99.421  -9.649  -0.106
  721    H    CYS  88           HN       CYS  88  97.230  -8.777   6.326
  722    HA   CYS  88           HA       CYS  88  99.726  -8.554   7.951
  723   1HB   CYS  88           HB2      CYS  88  98.414  -6.351   7.679
  724   2HB   CYS  88           HB1      CYS  88  97.175  -7.110   8.679
  725    HG   CYS  88           HG       CYS  88  98.571  -6.372  10.590
  726    H    THR  89           HN       THR  89  98.205 -10.923   7.360
  727    HA   THR  89           HA       THR  89  96.901 -11.455   9.998
  728    HB   THR  89           HB       THR  89  95.722 -13.293   8.874
  729    HG1  THR  89           HG1      THR  89  96.006 -13.274   6.492
  730   1HG2  THR  89          HG21      THR  89  95.495 -10.493   8.163
  731   2HG2  THR  89          HG23      THR  89  94.950 -11.520   6.837
  732   3HG2  THR  89          HG22      THR  89  94.218 -11.679   8.434
  733    H    PHE  90           HN       PHE  90  99.841 -11.647   8.892
  734    HA   PHE  90           HA       PHE  90 100.359 -14.271  10.195
  735   1HB   PHE  90           HB2      PHE  90 102.296 -14.279   8.275
  736   2HB   PHE  90           HB1      PHE  90 100.761 -15.130   8.118
  737    HD1  PHE  90           HD1      PHE  90  98.833 -14.002   6.940
  738    HD2  PHE  90           HD2      PHE  90 102.822 -12.408   6.890
  739    HE1  PHE  90           HE1      PHE  90  98.242 -12.585   4.993
  740    HE2  PHE  90           HE2      PHE  90 102.229 -10.991   4.942
  741    HZ   PHE  90           HZ       PHE  90  99.941 -11.080   3.994
  742    H    SER  91           HN       SER  91 100.779 -11.138  10.467
  743    HA   SER  91           HA       SER  91 102.850 -11.090  12.287
  744   1HB   SER  91           HB2      SER  91 103.885 -11.532   9.619
  745   2HB   SER  91           HB1      SER  91 104.482 -10.003  10.259
  746    HG   SER  91           HG       SER  91 105.564 -12.172  10.784
  747    H    PHE  92           HN       PHE  92 104.086  -8.748  12.097
  748    HA   PHE  92           HA       PHE  92 101.920  -6.825  12.123
  749   1HB   PHE  92           HB2      PHE  92 103.503  -5.284  12.938
  750   2HB   PHE  92           HB1      PHE  92 104.113  -6.830  13.522
  751    HD1  PHE  92           HD1      PHE  92 105.985  -7.979  12.280
  752    HD2  PHE  92           HD2      PHE  92 104.732  -3.974  11.363
  753    HE1  PHE  92           HE1      PHE  92 108.108  -7.589  11.076
  754    HE2  PHE  92           HE2      PHE  92 106.856  -3.587  10.155
  755    HZ   PHE  92           HZ       PHE  92 108.548  -5.394  10.007
  756    H    LEU  93           HN       LEU  93 102.417  -4.615  10.883
  757    HA   LEU  93           HA       LEU  93 103.615  -4.970   8.238
  758   1HB   LEU  93           HB2      LEU  93 101.357  -6.051   8.014
  759   2HB   LEU  93           HB1      LEU  93 100.626  -4.498   8.422
  760    HG   LEU  93           HG       LEU  93 102.573  -4.031   6.390
  761   1HD1  LEU  93          HD11      LEU  93 101.993  -6.599   6.100
  762   2HD1  LEU  93          HD13      LEU  93 100.522  -5.962   5.368
  763   3HD1  LEU  93          HD12      LEU  93 102.096  -5.543   4.692
  764   1HD2  LEU  93          HD21      LEU  93  99.559  -3.938   6.588
  765   2HD2  LEU  93          HD23      LEU  93 100.699  -2.591   6.599
  766   3HD2  LEU  93          HD22      LEU  93 100.397  -3.480   5.106
  767    H    ILE  94           HN       ILE  94 104.262  -2.997   7.470
  768    HA   ILE  94           HA       ILE  94 102.938  -0.553   8.527
  769    HB   ILE  94           HB       ILE  94 105.926  -1.081   8.591
  770   1HG1  ILE  94          HG12      ILE  94 104.423  -0.217  10.997
  771   2HG1  ILE  94          HG11      ILE  94 104.066  -1.849  10.429
  772   1HG2  ILE  94          HG23      ILE  94 104.793   1.313   8.034
  773   2HG2  ILE  94          HG22      ILE  94 104.733   1.359   9.796
  774   3HG2  ILE  94          HG21      ILE  94 106.278   1.151   8.972
  775   1HD1  ILE  94          HD11      ILE  94 106.826  -1.716  10.238
  776   2HD1  ILE  94          HD13      ILE  94 106.487  -0.814  11.715
  777   3HD1  ILE  94          HD12      ILE  94 105.928  -2.479  11.550
  778    H    CYS  95           HN       CYS  95 102.235  -1.070   6.126
  779    HA   CYS  95           HA       CYS  95 104.229  -0.265   4.121
  780   1HB   CYS  95           HB2      CYS  95 102.658  -1.971   3.450
  781   2HB   CYS  95           HB1      CYS  95 101.288  -0.972   3.934
  782    HG   CYS  95           HG       CYS  95 101.642   0.532   1.902
  783    H    LYS  96           HN       LYS  96 104.433   1.794   3.311
  784    HA   LYS  96           HA       LYS  96 102.221   3.728   3.771
  785   1HB   LYS  96           HB2      LYS  96 104.665   3.675   5.272
  786   2HB   LYS  96           HB1      LYS  96 104.664   5.114   4.252
  787   1HG   LYS  96           HG2      LYS  96 102.822   6.026   5.297
  788   2HG   LYS  96           HG1      LYS  96 102.139   4.450   5.699
  789   1HD   LYS  96           HD2      LYS  96 103.607   4.155   7.536
  790   2HD   LYS  96           HD1      LYS  96 104.683   5.441   6.988
  791   1HE   LYS  96           HE2      LYS  96 103.374   7.093   7.869
  792   2HE   LYS  96           HE1      LYS  96 101.874   6.249   7.482
  793   1HZ   LYS  96           HZ1      LYS  96 103.343   4.800   9.414
  794   2HZ   LYS  96           HZ3      LYS  96 103.130   6.398   9.942
  795   3HZ   LYS  96           HZ2      LYS  96 101.779   5.454   9.530
  796    H    GLY  97           HN       GLY  97 102.827   5.877   2.587
  797   1HA   GLY  97           HA2      GLY  97 103.791   5.109  -0.104
  798   2HA   GLY  97           HA1      GLY  97 102.938   6.600   0.299
  799    H    VAL  98           HN       VAL  98 105.120   6.983  -1.218
  800    HA   VAL  98           HA       VAL  98 107.075   8.125   0.723
  801    HB   VAL  98           HB       VAL  98 107.798   6.645  -1.824
  802   1HG1  VAL  98          HG12      VAL  98 109.269   8.580  -1.254
  803   2HG1  VAL  98          HG11      VAL  98 109.559   7.858   0.328
  804   3HG1  VAL  98          HG13      VAL  98 110.107   7.033  -1.131
  805   1HG2  VAL  98          HG22      VAL  98 107.714   5.898   1.071
  806   2HG2  VAL  98          HG21      VAL  98 107.387   4.907  -0.350
  807   3HG2  VAL  98          HG23      VAL  98 109.050   5.282   0.100
  808    H    ASN  99           HN       ASN  99 107.701  10.193   0.207
  809    HA   ASN  99           HA       ASN  99 106.444  11.415  -2.178
  810   1HB   ASN  99           HB2      ASN  99 107.709  12.458   0.340
  811   2HB   ASN  99           HB1      ASN  99 107.560  13.521  -1.060
  812   1HD2  ASN  99          HD22      ASN  99 104.427  13.632   1.105
  813   2HD2  ASN  99          HD21      ASN  99 106.073  13.765   1.499
  814    H    LYS 100           HN       LYS 100 109.675  10.982  -0.738
  815    HA   LYS 100           HA       LYS 100 110.848  11.811  -3.358
  816   1HB   LYS 100           HB2      LYS 100 111.535  12.431  -0.639
  817   2HB   LYS 100           HB1      LYS 100 112.868  11.538  -1.372
  818   1HG   LYS 100           HG2      LYS 100 113.247  13.156  -2.991
  819   2HG   LYS 100           HG1      LYS 100 111.580  13.733  -2.952
  820   1HD   LYS 100           HD2      LYS 100 112.414  14.266  -0.389
  821   2HD   LYS 100           HD1      LYS 100 113.887  14.556  -1.316
  822   1HE   LYS 100           HE2      LYS 100 111.569  15.668  -2.668
  823   2HE   LYS 100           HE1      LYS 100 111.720  16.314  -1.034
  824   1HZ   LYS 100           HZ1      LYS 100 114.132  16.686  -1.592
  825   2HZ   LYS 100           HZ3      LYS 100 113.729  16.371  -3.209
  826   3HZ   LYS 100           HZ2      LYS 100 113.022  17.687  -2.400
  827    H    GLU 101           HN       GLU 101 110.733   9.812  -4.430
  828    HA   GLU 101           HA       GLU 101 111.380   7.288  -3.282
  829   1HB   GLU 101           HB2      GLU 101 111.697   8.123  -6.179
  830   2HB   GLU 101           HB1      GLU 101 111.478   6.489  -5.566
  831   1HG   GLU 101           HG2      GLU 101 109.288   6.894  -6.055
  832   2HG   GLU 101           HG1      GLU 101 109.305   7.686  -4.479
  833    H    TYR 102           HN       TYR 102 113.343   8.853  -5.802
  834    HA   TYR 102           HA       TYR 102 115.726   7.604  -5.644
  835   1HB   TYR 102           HB2      TYR 102 115.340   9.664  -6.984
  836   2HB   TYR 102           HB1      TYR 102 115.500  10.625  -5.516
  837    HD1  TYR 102           HD1      TYR 102 117.670  10.611  -4.244
  838    HD2  TYR 102           HD2      TYR 102 117.266   8.816  -8.126
  839    HE1  TYR 102           HE1      TYR 102 120.137  10.605  -4.499
  840    HE2  TYR 102           HE2      TYR 102 119.731   8.809  -8.380
  841    HH   TYR 102           HH       TYR 102 121.669   9.709  -7.536
  842    H    LEU 103           HN       LEU 103 115.023  10.308  -3.396
  843    HA   LEU 103           HA       LEU 103 117.302  10.090  -1.789
  844   1HB   LEU 103           HB2      LEU 103 114.794  11.410  -1.653
  845   2HB   LEU 103           HB1      LEU 103 115.086  10.645  -0.089
  846    HG   LEU 103           HG       LEU 103 116.074  12.953  -0.308
  847   1HD1  LEU 103          HD12      LEU 103 117.590  10.478   0.355
  848   2HD1  LEU 103          HD11      LEU 103 118.499  11.988   0.291
  849   3HD1  LEU 103          HD13      LEU 103 117.135  11.826   1.397
  850   1HD2  LEU 103          HD22      LEU 103 116.801  12.198  -2.790
  851   2HD2  LEU 103          HD21      LEU 103 117.655  13.456  -1.896
  852   3HD2  LEU 103          HD23      LEU 103 118.288  11.811  -1.924
  853    H    MET 104           HN       MET 104 114.133   8.753  -0.795
  854    HA   MET 104           HA       MET 104 114.905   7.231   1.356
  855   1HB   MET 104           HB2      MET 104 112.593   7.278   0.683
  856   2HB   MET 104           HB1      MET 104 112.967   6.470  -0.840
  857   1HG   MET 104           HG2      MET 104 113.430   4.413   0.230
  858   2HG   MET 104           HG1      MET 104 113.603   5.176   1.811
  859   1HE   MET 104           HE1      MET 104 112.160   2.833   2.054
  860   2HE   MET 104           HE3      MET 104 111.941   4.023   3.343
  861   3HE   MET 104           HE2      MET 104 110.549   3.169   2.684
  862    H    TYR 105           HN       TYR 105 114.708   5.739  -1.906
  863    HA   TYR 105           HA       TYR 105 115.994   3.345  -1.355
  864   1HB   TYR 105           HB2      TYR 105 115.113   3.729  -3.559
  865   2HB   TYR 105           HB1      TYR 105 116.213   5.082  -3.825
  866    HD1  TYR 105           HD1      TYR 105 118.683   4.664  -4.007
  867    HD2  TYR 105           HD2      TYR 105 115.819   1.461  -3.902
  868    HE1  TYR 105           HE1      TYR 105 120.388   3.109  -4.897
  869    HE2  TYR 105           HE2      TYR 105 117.526  -0.091  -4.792
  870    HH   TYR 105           HH       TYR 105 120.310  -0.026  -4.682
  871    H    SER 106           HN       SER 106 117.534   6.489  -1.941
  872    HA   SER 106           HA       SER 106 120.229   5.561  -2.020
  873   1HB   SER 106           HB2      SER 106 119.245   7.929  -2.514
  874   2HB   SER 106           HB1      SER 106 119.470   8.202  -0.789
  875    HG   SER 106           HG       SER 106 121.301   8.795  -2.084
  876    H    ALA 107           HN       ALA 107 118.558   7.127   0.743
  877    HA   ALA 107           HA       ALA 107 120.542   6.455   2.665
  878   1HB   ALA 107           HB1      ALA 107 118.220   7.913   2.705
  879   2HB   ALA 107           HB3      ALA 107 117.759   6.497   3.652
  880   3HB   ALA 107           HB2      ALA 107 119.142   7.474   4.144
  881    H    LEU 108           HN       LEU 108 118.285   4.470   1.043
  882    HA   LEU 108           HA       LEU 108 118.132   2.441   3.165
  883   1HB   LEU 108           HB2      LEU 108 117.044   2.729   0.381
  884   2HB   LEU 108           HB1      LEU 108 117.101   1.129   1.121
  885    HG   LEU 108           HG       LEU 108 115.736   3.585   2.259
  886   1HD1  LEU 108          HD13      LEU 108 114.808   1.070   0.893
  887   2HD1  LEU 108          HD12      LEU 108 113.765   1.868   2.070
  888   3HD1  LEU 108          HD11      LEU 108 114.288   2.734   0.626
  889   1HD2  LEU 108          HD23      LEU 108 116.289   0.833   3.369
  890   2HD2  LEU 108          HD22      LEU 108 116.536   2.399   4.140
  891   3HD2  LEU 108          HD21      LEU 108 114.902   1.772   3.922
  892    H    THR 109           HN       THR 109 119.947   3.032   0.200
  893    HA   THR 109           HA       THR 109 121.134   0.360   0.183
  894    HB   THR 109           HB       THR 109 122.577   1.298  -1.617
  895    HG1  THR 109           HG1      THR 109 122.527   3.398  -2.066
  896   1HG2  THR 109          HG23      THR 109 120.200   0.456  -1.993
  897   2HG2  THR 109          HG22      THR 109 119.703   2.148  -2.017
  898   3HG2  THR 109          HG21      THR 109 120.832   1.543  -3.230
  899    H    ARG 110           HN       ARG 110 121.803   3.413   1.681
  900    HA   ARG 110           HA       ARG 110 124.614   2.700   2.236
  901   1HB   ARG 110           HB2      ARG 110 122.912   5.112   2.526
  902   2HB   ARG 110           HB1      ARG 110 124.151   4.900   3.763
  903   1HG   ARG 110           HG2      ARG 110 125.849   4.597   1.961
  904   2HG   ARG 110           HG1      ARG 110 124.597   4.928   0.763
  905   1HD   ARG 110           HD2      ARG 110 124.757   7.153   1.095
  906   2HD   ARG 110           HD1      ARG 110 124.633   6.962   2.844
  907    HE   ARG 110           HE       ARG 110 127.244   6.160   2.107
  908   1HH1  ARG 110          HH21      ARG 110 127.202   8.379   0.195
  909   2HH1  ARG 110          HH22      ARG 110 127.637   9.749   1.161
  910   1HH2  ARG 110          HH11      ARG 110 126.956   8.176   4.175
  911   2HH2  ARG 110          HH12      ARG 110 127.497   9.635   3.414
  912    H    ASP 111           HN       ASP 111 125.287   1.785   4.140
  913    HA   ASP 111           HA       ASP 111 123.654   0.365   5.859
  914   1HB   ASP 111           HB2      ASP 111 126.095   1.854   6.853
  915   2HB   ASP 111           HB1      ASP 111 125.477   0.299   7.410
  916    HA   PRO 112           HA       PRO 112 123.788  -0.153   8.025
  917   1HB   PRO 112           HB2      PRO 112 121.696  -0.623   9.741
  918   2HB   PRO 112           HB1      PRO 112 123.227   0.114  10.246
  919   1HG   PRO 112           HG2      PRO 112 120.569   1.401   9.845
  920   2HG   PRO 112           HG1      PRO 112 121.911   1.901  10.886
  921   1HD   PRO 112           HD2      PRO 112 121.247   3.021   8.365
  922   2HD   PRO 112           HD1      PRO 112 122.747   3.301   9.277
  923    H    PHE 113           HN       PHE 113 121.469   1.254   6.183
  924    HA   PHE 113           HA       PHE 113 119.600  -0.987   5.955
  925   1HB   PHE 113           HB2      PHE 113 119.992   1.515   4.289
  926   2HB   PHE 113           HB1      PHE 113 118.708   0.337   4.015
  927    HD1  PHE 113           HD1      PHE 113 117.346  -0.328   6.217
  928    HD2  PHE 113           HD2      PHE 113 119.524   3.333   5.678
  929    HE1  PHE 113           HE1      PHE 113 115.984   0.742   7.982
  930    HE2  PHE 113           HE2      PHE 113 118.161   4.404   7.442
  931    HZ   PHE 113           HZ       PHE 113 116.388   3.111   8.599
  932    H    SER 114           HN       SER 114 120.345  -2.839   5.039
  933    HA   SER 114           HA       SER 114 122.413  -2.711   2.931
  934   1HB   SER 114           HB2      SER 114 121.148  -4.943   4.516
  935   2HB   SER 114           HB1      SER 114 122.120  -5.283   3.087
  936    HG   SER 114           HG       SER 114 123.495  -5.273   4.822
  937    H    VAL 115           HN       VAL 115 121.919  -4.547   1.135
  938    HA   VAL 115           HA       VAL 115 119.146  -4.035   0.133
  939    HB   VAL 115           HB       VAL 115 121.663  -4.268  -1.544
  940   1HG1  VAL 115          HG11      VAL 115 118.741  -3.948  -2.107
  941   2HG1  VAL 115          HG13      VAL 115 119.887  -3.119  -3.160
  942   3HG1  VAL 115          HG12      VAL 115 119.957  -4.873  -2.989
  943   1HG2  VAL 115          HG23      VAL 115 120.424  -2.010  -0.138
  944   2HG2  VAL 115          HG22      VAL 115 122.018  -2.128  -0.884
  945   3HG2  VAL 115          HG21      VAL 115 120.612  -1.722  -1.868
  946    H    ILE 116           HN       ILE 116 118.181  -5.795  -1.022
  947    HA   ILE 116           HA       ILE 116 119.640  -8.390  -0.711
  948    HB   ILE 116           HB       ILE 116 116.635  -8.162  -0.744
  949   1HG1  ILE 116          HG12      ILE 116 118.278  -8.198   1.790
  950   2HG1  ILE 116          HG11      ILE 116 117.760  -6.680   1.058
  951   1HG2  ILE 116          HG21      ILE 116 118.248 -10.317  -0.871
  952   2HG2  ILE 116          HG23      ILE 116 118.167 -10.131   0.881
  953   3HG2  ILE 116          HG22      ILE 116 116.686 -10.352  -0.052
  954   1HD1  ILE 116          HD11      ILE 116 115.416  -8.032   1.009
  955   2HD1  ILE 116          HD13      ILE 116 116.152  -8.759   2.438
  956   3HD1  ILE 116          HD12      ILE 116 115.909  -7.014   2.362
  957    H    GLU 117           HN       GLU 117 116.691  -7.317  -2.443
  958    HA   GLU 117           HA       GLU 117 117.998  -8.139  -4.991
  959   1HB   GLU 117           HB2      GLU 117 115.759  -9.484  -3.652
  960   2HB   GLU 117           HB1      GLU 117 115.400  -9.030  -5.318
  961   1HG   GLU 117           HG2      GLU 117 117.452 -10.151  -6.082
  962   2HG   GLU 117           HG1      GLU 117 117.843 -10.586  -4.418
  963    H    GLU 118           HN       GLU 118 116.734  -7.338  -6.908
  964    HA   GLU 118           HA       GLU 118 114.695  -5.300  -6.440
  965   1HB   GLU 118           HB2      GLU 118 116.414  -3.704  -7.844
  966   2HB   GLU 118           HB1      GLU 118 116.202  -3.623  -6.098
  967   1HG   GLU 118           HG2      GLU 118 118.224  -4.600  -5.672
  968   2HG   GLU 118           HG1      GLU 118 118.119  -5.669  -7.072
  969    H    SER 119           HN       SER 119 113.695  -4.631  -8.406
  970    HA   SER 119           HA       SER 119 114.076  -6.521 -10.619
  971   1HB   SER 119           HB2      SER 119 111.827  -6.119 -10.534
  972   2HB   SER 119           HB1      SER 119 112.039  -4.534  -9.795
  973    HG   SER 119           HG       SER 119 111.308  -4.803 -12.147
  974    H    LEU 120           HN       LEU 120 115.032  -3.296  -9.788
  975    HA   LEU 120           HA       LEU 120 115.593  -2.466 -12.537
  976   1HB   LEU 120           HB2      LEU 120 116.175  -1.316  -9.805
  977   2HB   LEU 120           HB1      LEU 120 116.914  -0.627 -11.251
  978    HG   LEU 120           HG       LEU 120 113.933  -0.975 -10.795
  979   1HD1  LEU 120          HD11      LEU 120 115.730   1.465 -10.783
  980   2HD1  LEU 120          HD13      LEU 120 113.972   1.543 -10.817
  981   3HD1  LEU 120          HD12      LEU 120 114.794   0.845  -9.422
  982   1HD2  LEU 120          HD23      LEU 120 115.592   0.026 -13.108
  983   2HD2  LEU 120          HD22      LEU 120 114.290  -1.164 -13.124
  984   3HD2  LEU 120          HD21      LEU 120 113.921   0.545 -12.887
  985    HA   PRO 121           HA       PRO 121 119.584  -4.265 -12.841
  986   1HB   PRO 121           HB2      PRO 121 120.778  -2.458 -14.537
  987   2HB   PRO 121           HB1      PRO 121 119.572  -3.647 -15.060
  988   1HG   PRO 121           HG2      PRO 121 119.255  -0.708 -14.644
  989   2HG   PRO 121           HG1      PRO 121 118.365  -1.790 -15.728
  990   1HD   PRO 121           HD2      PRO 121 117.430  -0.815 -13.248
  991   2HD   PRO 121           HD1      PRO 121 116.731  -2.169 -14.162
  992    H    GLY 122           HN       GLY 122 119.244  -0.980 -11.738
  993   1HA   GLY 122           HA2      GLY 122 121.572  -1.305  -9.975
  994   2HA   GLY 122           HA1      GLY 122 121.714  -0.002 -11.158
  995    H    GLY 123           HN       GLY 123 119.047  -1.220  -9.107
  996   1HA   GLY 123           HA2      GLY 123 117.583  -0.063  -7.686
  997   2HA   GLY 123           HA1      GLY 123 118.924   1.057  -7.397
  998    H    LEU 124           HN       LEU 124 116.893   2.556  -7.423
  999    HA   LEU 124           HA       LEU 124 115.705   3.137 -10.002
 1000   1HB   LEU 124           HB2      LEU 124 115.772   4.823  -7.488
 1001   2HB   LEU 124           HB1      LEU 124 114.696   5.054  -8.868
 1002    HG   LEU 124           HG       LEU 124 114.741   2.338  -7.685
 1003   1HD1  LEU 124          HD13      LEU 124 114.764   4.063  -5.758
 1004   2HD1  LEU 124          HD12      LEU 124 113.156   4.515  -6.323
 1005   3HD1  LEU 124          HD11      LEU 124 113.464   2.871  -5.763
 1006   1HD2  LEU 124          HD23      LEU 124 112.892   4.191  -9.096
 1007   2HD2  LEU 124          HD22      LEU 124 113.111   2.453  -9.298
 1008   3HD2  LEU 124          HD21      LEU 124 112.149   3.070  -7.955
 1009    H    LYS 125           HN       LYS 125 115.753   5.668 -10.566
 1010    HA   LYS 125           HA       LYS 125 118.110   7.193 -10.256
 1011   1HB   LYS 125           HB2      LYS 125 118.510   4.909 -11.916
 1012   2HB   LYS 125           HB1      LYS 125 118.506   6.324 -12.967
 1013   1HG   LYS 125           HG2      LYS 125 120.071   6.353 -10.395
 1014   2HG   LYS 125           HG1      LYS 125 120.751   5.607 -11.841
 1015   1HD   LYS 125           HD2      LYS 125 121.512   7.827 -11.985
 1016   2HD   LYS 125           HD1      LYS 125 120.087   7.829 -13.024
 1017   1HE   LYS 125           HE2      LYS 125 118.913   9.186 -11.619
 1018   2HE   LYS 125           HE1      LYS 125 119.532   8.383 -10.178
 1019   1HZ   LYS 125           HZ2      LYS 125 121.741   9.543 -10.997
 1020   2HZ   LYS 125           HZ1      LYS 125 120.628  10.641 -11.663
 1021   3HZ   LYS 125           HZ3      LYS 125 120.625  10.339  -9.994
 1022    H    GLU 126           HN       GLU 126 118.262   8.150 -13.022
 1023    HA   GLU 126           HA       GLU 126 115.869   9.807 -13.005
 1024   1HB   GLU 126           HB2      GLU 126 116.874  10.978 -14.836
 1025   2HB   GLU 126           HB1      GLU 126 118.194  10.550 -13.748
 1026   1HG   GLU 126           HG2      GLU 126 118.805   8.657 -15.128
 1027   2HG   GLU 126           HG1      GLU 126 117.382   8.885 -16.146
 1028    H    HIS 127           HN       HIS 127 116.630   6.753 -14.287
 1029    HA   HIS 127           HA       HIS 127 114.754   6.986 -16.555
 1030   1HB   HIS 127           HB2      HIS 127 115.493   4.826 -17.206
 1031   2HB   HIS 127           HB1      HIS 127 116.936   5.633 -16.596
 1032    HD1  HIS 127           HD1      HIS 127 115.849   5.243 -13.517
 1033    HD2  HIS 127           HD2      HIS 127 116.559   2.290 -16.369
 1034    HE1  HIS 127           HE1      HIS 127 116.226   3.089 -12.238
 1035    H    ASP 128           HN       ASP 128 114.398   6.593 -13.301
 1036    HA   ASP 128           HA       ASP 128 111.968   4.891 -13.678
 1037   1HB   ASP 128           HB2      ASP 128 114.158   4.399 -12.003
 1038   2HB   ASP 128           HB1      ASP 128 112.905   5.022 -10.930
 1039    H    PHE 129           HN       PHE 129 113.395   7.566 -11.824
 1040    HA   PHE 129           HA       PHE 129 110.803   8.355 -10.728
 1041   1HB   PHE 129           HB2      PHE 129 113.420   9.888 -10.802
 1042   2HB   PHE 129           HB1      PHE 129 112.030  10.242  -9.774
 1043    HD1  PHE 129           HD2      PHE 129 111.178   7.550  -8.939
 1044    HD2  PHE 129           HD1      PHE 129 115.124   9.198  -9.322
 1045    HE1  PHE 129           HE2      PHE 129 112.010   5.948  -7.251
 1046    HE2  PHE 129           HE1      PHE 129 115.955   7.595  -7.632
 1047    HZ   PHE 129           HZ       PHE 129 114.401   5.970  -6.591
 1048    H    ASN 130           HN       ASN 130 111.101  11.218 -11.100
 1049    HA   ASN 130           HA       ASN 130 110.738  11.466 -14.053
 1050   1HB   ASN 130           HB2      ASN 130 108.642  11.474 -12.232
 1051   2HB   ASN 130           HB1      ASN 130 108.958  13.189 -12.499
 1052   1HD2  ASN 130          HD22      ASN 130 107.355  13.139 -15.622
 1053   2HD2  ASN 130          HD21      ASN 130 107.822  14.020 -14.249
 1054    HA   PRO 131           HA       PRO 131 113.273  14.916 -12.169
 1055   1HB   PRO 131           HB2      PRO 131 115.718  14.156 -13.159
 1056   2HB   PRO 131           HB1      PRO 131 115.108  13.642 -11.576
 1057   1HG   PRO 131           HG2      PRO 131 115.344  12.068 -14.095
 1058   2HG   PRO 131           HG1      PRO 131 115.337  11.504 -12.416
 1059   1HD   PRO 131           HD2      PRO 131 113.151  11.395 -14.228
 1060   2HD   PRO 131           HD1      PRO 131 113.090  11.102 -12.478
 1061    H    GLU 132           HN       GLU 132 111.675  15.314 -14.317
 1062    HA   GLU 132           HA       GLU 132 113.046  15.562 -16.842
 1063   1HB   GLU 132           HB2      GLU 132 110.606  17.111 -15.933
 1064   2HB   GLU 132           HB1      GLU 132 111.081  16.742 -17.591
 1065   1HG   GLU 132           HG2      GLU 132 110.375  14.657 -15.504
 1066   2HG   GLU 132           HG1      GLU 132 109.272  15.236 -16.754
 1067    H    SER 133           HN       SER 133 115.012  16.696 -16.244
 1068    HA   SER 133           HA       SER 133 116.319  18.601 -15.791
 1069   1HB   SER 133           HB2      SER 133 114.933  20.700 -16.872
 1070   2HB   SER 133           HB1      SER 133 115.917  19.577 -17.805
 1071    HG   SER 133           HG       SER 133 114.000  18.301 -18.055
 1072    H    SER 134           HN       SER 134 113.440  20.592 -15.749
 1073    HA   SER 134           HA       SER 134 114.067  21.441 -13.016
 1074   1HB   SER 134           HB2      SER 134 111.669  22.626 -13.627
 1075   2HB   SER 134           HB1      SER 134 113.245  23.306 -14.021
 1076    HG   SER 134           HG       SER 134 113.097  22.411 -16.052
   
  No H/Q in entry =        1076