*HEADER    STRUCTURAL PROTEIN                      08-JUN-08   2K4I              
*TITLE     SOLUTION STRUCTURE OF HIV-2 MYRMA BOUND TO DI-C4-PI(4,5)P2            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIV-2 MYRISTOYLATED MATRIX PROTEIN;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 2 TO 135;                                     
*COMPND   5 SYNONYM: MATRIX PROTEIN P17;                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 2;            
*SOURCE   3 ORGANISM_COMMON: HIV-2;                                              
*SOURCE   4 STRAIN: PROD10;                                                      
*SOURCE   5 GENE: GAG-POL;                                                       
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET 11 AND 19                              
*KEYWDS    AIDS, CAPSID PROTEIN, MYRISTATE, MATRIX, GAG, HIV, NMR,               
*KEYWDS   2 VIRION, STRUCTURAL PROTEIN, PLASMA MEMBRANE                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.S.SAAD, S.D.ABLAN, R.H.GHANAM, A.KIM, K.ANDREWS,                    
*AUTHOR   2 K.NAGASHIMA, E.O.FREED, M.F.SUMMERS                                  
*REVDAT   1   12-AUG-08 2K4I    0                                                


###############################
#  See DIF statements for differences between myrMA and myr(-)MA
##############################

# Strong Medium Weak        
# NOEs 2.7 3.3 5.0        
# The following adjustments are made AUTOMATICALLY to Q-containing
# psequdoatom names with CYANA:

# Methyl(CH3) add 0.5/methyl 3.2 3.8 5.5
# Methylene(CH2) add 0.8 3.5 4.1 5.8      
# Pseduomethyls (2 -CH3) add 1.5 4.2 4.8 6.5    
# Aromatic qr add 2.3 5 5.6 7.3     
# Degenerate NOEs are additive.

#=========================================       
# Helix I (residues 9-18)   
#=========================================       
# NH(i)-NH(i+1)
10 GLY H 11 LYS H 2.9 1.00E+00 #good for hiv2myrma
11 LYS H 12 LYS  H 2.9 1.00E+00 #good for hiv2myrma
12 LYS  H 13 ALA H 2.9 1.00E+00 #good for hiv2myrma
13 ALA H 14 ASP  H 2.9 1.00E+00 #good for hiv2myrma
14 ASP  H 15 GLU  H 2.9 1.00E+00 #good for hiv2myrma
15 GLU  H 16 LEU H 2.9 1.00E+00 #good for hiv2myrma
16 LEU H 17 GLU  H 2.9 1.00E+00 #good for hiv2myrma
17 GLU  H 18 ARG  H 2.9 1.00E+00 #good for hiv2myrma
18 ARG  H 19 ILE H 2.9 1.00E+00 #good for hiv2myrma

# NH(i)-NH(i+2)
10 GLY H 12 LYS  H 5.0 1.00E+00 #good for hiv2ma
11 LYS H 13 ALA H 5.0 1.00E+00 #good for hiv2ma
12 LYS  H 14 ASP  H 5.0 1.00E+00 #good for hiv2ma
13 ALA H 15 GLU  H 5.0 1.00E+00 #good for hiv2ma
14 ASP  H 16 LEU H 5.0 1.00E+00 #good for hiv2ma
15 GLU  H 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
17      GLU     H       19      ILE     H       5.0     1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
9       ARG     H       12      LYS     H       5.0     1.00E+00 #good for hiv2ma
13 ALA H 16 LEU H 5.0 1.00E+00 #good for hiv2ma
14 ASP  H 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
16      LEU     H       19      ILE     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
9 ARG HA 10 GLY H 2.7 1.00E+00 #good for hiv2myrma
10 GLY HA3 11 LYS H 2.7 1.00E+00 #good for hiv2myrma

# aH(i)-NH(i+2)
13 ALA HA 15 GLU H 5.0 1.00E+00 #good for hiv2ma
14 ASP HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma
15 GLU HA 17 GLU H 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma
17 GLU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
10 GLY HA2 13 ALA H 5.0 1.00E+00 #good for hiv2ma
11 LYS HA 14 ASP  H 5.0 1.00E+00 #good for hiv2ma
12 LYS  HA 15 GLU  H 5.0 1.00E+00 #good for hiv2ma (overlap with 15-HA)
13 ALA HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma
14 ASP  HA 17 GLU  H 5.0 1.00E+00 #good for hiv2ma
15 GLU HA 18 ARG H 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 19 ILE H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
9 ARG HA 13 ALA H 5.0 1.00E+00 #good for hiv2ma
10 GLY HA2 14 ASP H 5.0 1.00E+00 #good for hiv2ma
12 LYS HA 16 LEU H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
10 GLY HA2 13 ALA QB 3.3 1.00E+00 #good for hiv2ma
11 LYS HA 14 ASP  QB 3.3 1.00E+00 #good for hiv2ma
12 LYS  HA 15      GLU  QB 3.3 1.00E+00 #good for hiv2ma
13 ALA HA 16 LEU HB2 3.3 1.00E+00 #good for hiv2ma 
13 ALA HA 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma
14 ASP HA 17 GLU QB 3.3 1.00E+00 #good for hiv2ma

#================================           
# ---- ANTI-PARALLEL BETA ---       
#================================           
#Sequential NOEs
19 ILE HA 20 ARG  H 2.7 1.00E+00 #good for hiv2ma
20 ARG  HA 21 LEU H 2.7 1.00E+00 #good for hiv2ma
21 LEU H 22 ARG  H 2.7 1.00E+00 #good for hiv2ma
24 GLY H 25 GLY H 3.3 1.00E+00 #overlap Hs
25 GLY HA2 26 LYS  H 2.7 1.00E+00 #good for hiv2ma
25 GLY HA3 26 LYS  H 2.7 1.00E+00 #good for hiv2ma
26 LYS  H 27 LYS  H 2.7 1.00E+00 #good for hiv2ma
27 LYS  HA 28 LYS H 2.7 1.00E+00 #good for hiv2ma
28 LYS HA 29 TYR H 2.7 1.00E+00 #good for hiv2ma
29 TYR HA 30 ARG  H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-aH(j)
17 GLU HA 30 ARG HA 5.0 1.00E+00 #good for hiv2ma 
20 ARG  HA 28 LYS HA 2.7 1.00E+00 #good for hiv2ma
20      ARG     QB      28      LYS     HA      5.0     1.00E+00 #good for hiv2ma

# aH(i)-NH(j)
17 GLU HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma
20 ARG  HA 29 TYR H 5.0 1.00E+00 #good for hiv2ma
21 LEU H 28 LYS HA 3.3 1.00E+00 #good for hiv2ma
22 ARG H 25 GLY HA3 5.0 1.00E+00 #good for hiv2ma
23 PRO HA 25 GLY H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(j)
19 ILE H 29 TYR H 5.0 1.00E+00 #good for hiv2ma
20 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma
21 LEU H 27 LYS  H 5.0 1.00E+00 #overlap
22 ARG  H 25 GLY  H 5.0 1.00E+00 #good for hiv2ma

#===============================
# Helix II (residues 30-45)
#===============================

# Sequential NH(i)-NH(i+1) NOEs 
30      ARG     H       31      LEU     H       5.0     1.00E+00 #good for hiv2ma
31 LEU H 32 LYS  H 2.9 1.00E+00 #overlap in hiv2ma
32 LYS  H 33 HISB H 2.9 1.00E+00 #good for hiv2ma
33 HISB H 34 ILE H 2.9 1.00E+00 #good for hiv2ma
34 ILE H 35 VAL H 2.9 1.00E+00 #good for hiv2ma
35 VAL H 36 TRP H 2.9 1.00E+00 #good for hiv2ma
36 TRP H 37 ALA H 2.9 1.00E+00 #good for hiv2ma
37 ALA H 38 ALA H 2.9 1.00E+00 #good for hiv2ma
38 ALA H 39 ASN  H 2.9 1.00E+00 #good for hiv2ma
39 ASN  H 40 LYS  H 2.9 1.00E+00 #good for hiv2ma
40 LYS  H 41 LEU H 2.9 1.00E+00 #good for hiv2ma
41 LEU H 42 ASP  H 2.9 1.00E+00 #good for hiv2ma
42 ASP  H 43 ARG  H 2.9 1.00E+00 #good for hiv2ma
43 ARG  H 44 PHE H 2.9 1.00E+00 #good for hiv2ma
44 PHE H 45 GLY H 2.9 1.00E+00 #good for hiv2ma
45      GLY     H       46      LEU     H       2.9     1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)      
31 LEU H 33 HISB H 5.0 1.00E+00 #good for hiv2ma
32 LYS  H 34 ILE H 5.0 1.00E+00 #good for hiv2ma
33 HISB H 35 VAL H 5.0 1.00E+00 #good for hiv2ma
34 ILE H 36 TRP H 5.0 1.00E+00 #good for hiv2ma
35 VAL H 37 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP H 38 ALA H 5.0 1.00E+00 #good for hiv2ma
37 ALA H 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
38 ALA H 40 LYS  H 5.0 1.00E+00 #good for hiv2ma
39 ASN  H 41 LEU H 5.0 1.00E+00 #good for hiv2ma
40 LYS  H 42 ASP  H 5.0 1.00E+00 #good for hiv2ma
41 LEU H 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
42 ASP  H 44 PHE H 5.0 1.00E+00 #good for hiv2ma
43 ARG  H 45 GLY H 5.0 1.00E+00 #good for hiv2ma
44 PHE H 46 LEU H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
30 ARG  H 33 HISB H 5.0 1.00E+00 #good for hiv2ma
31 LEU H 34 ILE H 5.0 1.00E+00 #good for hiv2ma
32 LYS  H 35 VAL H 5.0 1.00E+00 #good for hiv2ma
35 VAL H 38 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP H 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
37 ALA H 40 LYS  H 5.0 1.00E+00 #good for hiv2ma
38 ALA H 41 LEU H 5.0 1.00E+00 #good for hiv2ma
40 LYS  H 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
#41 LEU H 44 PHE H 5.0 1.00E+00 #overlap

# aH(i)-NH(i+1)
30 ARG  HA 31 LEU H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
38      ALA     HA      40      LYS     H       5.0     1.00E+00 #good for hiv2ma
39      ASN     HA      41      LEU     H       5.0     1.00E+00 #good for hiv2ma
43 ARG  HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
31 LEU HA 34 ILE H 5.0 1.00E+00 #good for hiv2ma
32 LYS  HA 35 VAL H 5.0 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma
34 ILE HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma
35 VAL HA 38 ALA H 5.0 1.00E+00 #good for hiv2ma
36 TRP HA 39 ASN  H 5.0 1.00E+00 #good for hiv2ma
37 ALA HA 40 LYS H 5.0 1.00E+00 #good for hiv2ma
38 ALA HA 41 LEU H 5.0 1.00E+00 #good for hiv2ma
39 ASN HA 42 ASP H 5.0 1.00E+00 #good for hiv2ma 
40 LYS  HA 43 ARG  H 5.0 1.00E+00 #good for hiv2ma
41 LEU HA 44 PHE H 5.0 1.00E+00 #good for hiv2ma
42 ASP  HA 45 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
32 LYS  HA 36 TRP H 5.0 1.00E+00 #good for hiv2ma
33 HISB HA 37 ALA H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
31 LEU HA 34 ILE HB 3.3 1.00E+00 #good for hiv2ma 
32 LYS  HA 35 VAL HB 3.3 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP QB 3.3 1.00E+00 #good for hiv2ma  
34 ILE HA 37 ALA QB 3.3 1.00E+00 #good for hiv2ma
35 VAL HA 38 ALA QB 3.3 1.00E+00 #good for hiv2ma
36 TRP HA 39 ASN  QB 3.3 1.00E+00 #good for hiv2ma
37 ALA HA 40 LYS  QB 3.3 1.00E+00 #good for hiv2ma 
38 ALA HA 41 LEU QB 5.0 1.00E+00 #weak in hiv2ma
39 ASN  HA 42 ASP  QB 3.3 1.00E+00 #good for hiv2ma 
40 LYS  HA 43 ARG  QB 3.3 1.00E+00 #good for hiv2ma
41 LEU HA 44 PHE HB2 5.0 1.00E+00 #good for hiv2ma

#=====================           
# Linker (Helix II-HelixIII)
#=====================
42 ASP HA 46 LEU H 5.0 1.00E+00 #good for hiv2ma
45 GLY HA 46 LEU H 3.3 1.00E+00 #good for hiv2ma
46 LEU HA 47 ALA H 2.7 1.00E+00 #good for hiv2ma
47 ALA H 48 GLU H 5.0 1.00E+00 #good for hiv2ma
47      ALA     HA      48      GLU     H       2.7     1.00E+00 #good for hiv2ma

#=====================
# Helix III (residues 48-53)
#=====================
# NH(i)-NH(i+1)
48      GLU     H       49      SER     H       2.7     1.00E+00 #good for hiv2ma
49 SER H 50 LEU H 2.7 1.00E+00 #good for hiv2ma
50 LEU H 51 LEU H 2.7 1.00E+00 #good for hiv2ma
51 LEU H 52 GLU  H 2.7 1.00E+00 #good for hiv2ma
52 GLU  H 53 SER H 2.7 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
49 SER H 51 LEU H 5.0 1.00E+00 #good for hiv2ma
50 LEU H 52 GLU  H 5.0 1.00E+00 #good for hiv2ma
51 LEU H 53 SER H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
52 GLU  HA 53 SER H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
48 GLU HA 50 LEU H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
50 LEU HA 53 SER H 5.0 1.00E+00 #good for hiv2ma  

# aH(i)-bH(i+3)

#============================
# Helix IV (residues 53-65)
#============================

# NH(i)-NH(i+1)
54 LYS H 55 GLU  H 2.9 1.00E+00 #good for hiv2ma
55 GLU  H 56 GLY H 2.9 1.00E+00 #good for hiv2ma
56 GLY H 57 CYS H 2.9 1.00E+00 #good for hiv2ma
57 CYS H 58 GLN  H 2.9 1.00E+00 #good for hiv2ma
58 GLN  H 59 LYS H 2.9 1.00E+00 #good for hiv2ma
59 LYS H 60 ILE H 2.9 1.00E+00 #good for hiv2ma
60 ILE H 61 LEU H 2.9 1.00E+00 #good for hiv2ma
61 LEU H 62 THR H 2.9 1.00E+00 #good for hiv2ma
62 THR H 63 VAL H 2.9 1.00E+00 #good for hiv2ma
63 VAL H 64 LEU H 2.9 1.00E+00 #good for hiv2ma
64 LEU H 65 ASP H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
54 LYS H 56 GLY H 5.0 1.00E+00 #good for hiv2ma
55 GLU  H 57 CYS H 5.0 1.00E+00 #good for hiv2ma
56 GLY H 58 GLN  H 5.0 1.00E+00 #good for hiv2ma
57 CYS H 59 LYS H 5.0 1.00E+00 #good for hiv2ma
58 GLN  H 60 ILE H 5.0 1.00E+00 #good for hiv2ma
59 LYS H 61 LEU H 5.0 1.00E+00 #good for hiv2ma
60 ILE H 62 THR H 5.0 1.00E+00 #good for hiv2ma
61 LEU H 63 VAL H 5.0 1.00E+00 #good for hiv2ma
62 THR H 64 LEU H 5.0 1.00E+00 #good for hiv2ma
63 VAL H 65 ASP H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
53 SER H 56 GLY H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+4)
53 SER H 57 CYS H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
53 SER HA 54 LYS H 2.7 1.00E+00 #Helix Cap (good for hiv2ma)

# aH(i)-NH(i+3)
53      SER     HA      56      GLY     H       5.0     1.00E+00 #good for hiv2ma
54 LYS HA 57 CYS H 5.0 1.00E+00 #good for hiv2ma
55 GLU  HA 58 GLN  H 5.0 1.00E+00 #good for hiv2ma
56 GLY HA2 59 LYS H 5.0 1.00E+00 #good for hiv2ma
57 CYS HA 60 ILE H 5.0 1.00E+00 #good for hiv2ma
58 GLN  HA 61 LEU H 5.0 1.00E+00 #good for hiv2ma
59 LYS HA 62 THR H 5.0 1.00E+00 #good for hiv2ma
60 ILE HA 63 VAL H 5.0 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU H 5.0 1.00E+00 #good for hiv2ma
62 THR HA 65 ASP H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
58 GLN  HA 62 THR H 5.0 1.00E+00 #good for hiv2ma
59      LYS     HA      63      VAL     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)
55 GLU  HA 58 GLN  QB 3.3 1.00E+00 #good for hiv2ma 
56 GLY HA2 59 LYS QB 3.3 1.00E+00 #good for hiv2ma
57 CYS HA 60 ILE HB 5.0 1.00E+00 #good for hiv2ma
58 GLN  HA 61 LEU HB3 5.0 1.00E+00 #good for hiv2ma
60 ILE HA 63 VAL HB 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU HB3 5.0 1.00E+00 #good for hiv2ma
62 THR HA 65 ASP HB2 5.0 1.00E+00 #good for hiv2ma

#=====================
# Helix V (3-10 Helix, residues 66-71)
#=====================

# NH(i)-NH(i+1)
67 MET H 68 VAL H 2.9 1.00E+00 #good for hiv2ma
70 THR H 71 GLY H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
68 VAL H 70 THR H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
71 GLY HA2 72 SER H 2.7 1.00E+00 #good for hiv2ma
71 GLY HA3 72 SER H 3.3 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+2)
65 ASP HA 67 MET H 5.0 1.00E+00 #good for hiv2ma
66 PRO HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma
68 VAL HA 70 THR H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+3)
64 LEU HA 67 MET H 5.0 1.00E+00 #good for hiv2ma
65 ASP HA 68 VAL H 5.0 1.00E+00 #good for hiv2ma
67 MET HA 70 THR H 5.0 1.00E+00 #good for hiv2ma
68 VAL HA 71 GLY H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
67      MET     HA      71      GLY     H       5.0     1.00E+00 #good for hiv2ma

# aH(i)-bH(i+3)


#================================
# Helix VI (residues 72-91)
#================================
# NH(i)-NH(i+1)
73 GLU  H 74 ASN  H 2.9 1.00E+00 #good for hiv2ma
74 ASN  H 75 LEU H 2.9 1.00E+00 #good for hiv2ma
75 LEU H 76 LYS   H 2.9 1.00E+00 #good for hiv2ma
76 LYS  H 77 SER H 2.9 1.00E+00 #good for hiv2ma
77 SER H 78 LEU H 2.9 1.00E+00 #good for hiv2ma
78 LEU H 79 PHE H 2.9 1.00E+00 #good for hiv2ma
79 PHE H 80 ASN H 2.9 1.00E+00 #good for hiv2ma
80 ASN H 81 THR H 2.9 1.00E+00 #good for hiv2ma
81 THR H 82 VAL H 2.9 1.00E+00 #good for hiv2ma
82 VAL H 83 CYS H 2.9 1.00E+00 #good for hiv2ma
83 CYS H 84 VAL H 2.9 1.00E+00 #good for hiv2ma
84 VAL H 85 ILE H 2.9 1.00E+00 #good for hiv2ma
85 ILE H 86 TRP H 2.9 1.00E+00 #good for hiv2ma
86 TRP H 87 CYS H 2.9 1.00E+00 #good for hiv2ma
87 CYS H 88 ILE H 2.9 1.00E+00 #good for hiv2ma
88 ILE H 89 HISB H 2.9 1.00E+00 #good for hiv2ma
89 HISB H 90 ALA H 2.9 1.00E+00 #good for hiv2ma
90 ALA H 91 GLU  H 2.9 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+2)
#74 ASN  H 76 LYS  H 5.0 1.00E+00 #74-HN is not observed
75 LEU H 77 SER H 5.0 1.00E+00 #good for hiv2ma
76 LYS  H 78 LEU H 5.0 1.00E+00 #good for hiv2ma
77 SER H 79 PHE H 5.0 1.00E+00 #good for hiv2ma
78 LEU H 80 ASN H 5.0 1.00E+00 #good for hiv2ma
79 PHE H 81 THR H 5.0 1.00E+00 #good for hiv2ma
80 ASN H 82 VAL H 5.0 1.00E+00 #good for hiv2ma
81 THR H 83 CYS H 5.0 1.00E+00 #good for hiv2ma
82 VAL H 84 VAL H 5.0 1.00E+00 #good for hiv2ma
83 CYS H 85 ILE H 5.0 1.00E+00 #good for hiv2ma
84 VAL H 86 TRP H 5.0 1.00E+00 #good for hiv2ma
85 ILE H 87 CYS H 5.0 1.00E+00 #good for hiv2ma
86 TRP H 88 ILE H 5.0 1.00E+00 #good for hiv2ma
87 CYS H 89 HISB H 5.0 1.00E+00 #good for hiv2ma
88 ILE H 90 ALA H 5.0 1.00E+00 #good for hiv2ma
89 HISB H 91 GLU  H 5.0 1.00E+00 #good for hiv2ma
90 ALA H 92 GLU H 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(i+3)
72 SER H 75 LEU H 5.0 1.00E+00 #good for hiv2ma
73 GLU  H 76 LYS  H 5.0 1.00E+00 #good for hiv2ma
75 LEU H 78 LEU H 5.0 1.00E+00 #good for hiv2ma
76 LYS  H 79 PHE H 5.0 1.00E+00 #good for hiv2ma
77 SER H 80 ASN H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
72 SER HA 73 GLU  H 2.7 1.00E+00 #good for hiv2ma 

# bH(i)-NH(i+2)
72 SER HB2 74 ASN  H 5.0 1.00E+00 #74-H is not observed

# aH(i)-NH(i+3)
73 GLU  HA 76 LYS  H 5.0 1.00E+00 #good for hiv2ma  
74 ASN  HA 77 SER H 5.0 1.00E+00 #good for hiv2ma
75 LEU HA 78 LEU H 5.0 1.00E+00 #good for hiv2ma
76 LYS  HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma
77 SER HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma
78 LEU HA 81 THR H 5.0 1.00E+00 #good for hiv2ma
79 PHE HA 82 VAL H 5.0 1.00E+00 #good for hiv2ma
80 ASN HA 83 CYS H 5.0 1.00E+00 #good for hiv2ma
81 THR HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma
82 VAL HA 85 ILE H 5.0 1.00E+00 #good for hiv2ma
83 CYS HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 87 CYS H 5.0 1.00E+00 #good for hiv2ma 
85 ILE HA 88 ILE H 5.0 1.00E+00 #good for hiv2ma   
86 TRP HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma
88 ILE HA 91 GLU  H 5.0 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+4)
75 LEU HA 79 PHE H 5.0 1.00E+00 #good for hiv2ma
76 LYS  HA 80 ASN H 5.0 1.00E+00 #good for hiv2ma 
80 ASN HA 84 VAL H 5.0 1.00E+00 #good for hiv2ma 
81      THR     HA      85      ILE     H       5.0     1.00E+00 #good for hiv2ma
82 VAL HA 86 TRP H 5.0 1.00E+00 #good for hiv2ma   
85 ILE HA 89 HISB H 5.0 1.00E+00 #good for hiv2ma 
86 TRP HA 90 ALA H 5.0 1.00E+00 #good for hiv2ma 

# aH(i)-bH(i+3)
73 GLU  HA 76 LYS  QB 3.3 1.00E+00 #good for hiv2ma 
74 ASN  HA 77 SER QB 3.3 1.00E+00 #good for hiv2ma
75 LEU HA 78 LEU QB 3.3 1.00E+00 #good for hiv2ma
76 LYS  HA 79 PHE QB 3.3 1.00E+00 #good for hiv2ma
77 SER HA 80 ASN QB 3.3 1.00E+00 #good for hiv2ma
78 LEU HA 81 THR HB 3.3 1.00E+00 #good for hiv2ma
79 PHE HA 82 VAL HB 3.3 1.00E+00 #good for hiv2ma
80 ASN HA 83 CYS QB 3.3 1.00E+00 #good for hiv2ma
81 THR HA 84 VAL HB 3.3 1.00E+00 #good for hiv2ma
82 VAL HA 85 ILE HB 3.3 1.00E+00 #good for hiv2ma
83 CYS HA 86 TRP QB 3.3 1.00E+00 #good for hiv2ma
84 VAL HA 87 CYS QB 3.3 1.00E+00 #good for hiv2ma
85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma
86 TRP HA 89 HISB QB 3.3 1.00E+00 #good for hiv2ma
87 CYS HA 90 ALA QB 3.3 1.00E+00 #good for hiv2ma

#====================================================
# Linker (93-95)
#====================================================
91      GLU  H 92 GLU H 2.7 1.00E+00 #good for hiv2ma 
92 GLU HA 93 LYS  H 2.7 1.00E+00 #good for hiv2ma
93 LYS  HA 94 VAL H 2.7 1.00E+00 #good for hiv2ma
94 VAL HA 95 LYS  H 2.7 1.00E+00 #good for hiv2ma
95 LYS  H 96 ASP  H 2.7 1.00E+00 #good for hiv2ma

#===============================================
#Parallel b-sheet
#===============================================

# aH(i)-aH(j)
19 ILE HA 95 LYS  HA 5.0 1.00E+00 #good for hiv2ma 

# NH(i)-NH(i+1)
95 LYS  H 96 ASP  H 2.9 1.00E+00 #good for hiv2ma

# aH(i)-NH(i+1)
94 VAL HA 95 LYS  H 2.7 1.00E+00 #good for hiv2ma 
94 VAL HA 96 ASP  H 5.0 1.00E+00 #good for hiv2ma
96 ASP  HA 97 THR H 2.7 1.00E+00 #good for hiv2ma

# aH(i)-NH(j)
20 ARG  H 96 ASP  HA 2.7 1.00E+00 #good for hiv2ma
97 THR H 21 LEU HA 5.0 1.00E+00 #good for hiv2ma
97 THR H 23 PRO HD3 5.0 1.00E+00 #good for hiv2ma

# NH(i)-NH(j)
20 ARG  H 97 THR H 5.0 1.00E+00 #good for hiv2ma
20 ARG  H 96 ASP  H 5.0 1.00E+00 #good for hiv2ma

#============================== 
# Helix VII (residues 96-122)
#==============================

# H(i)-H(i+1)
97 THR H 98 GLU  H 2.9 1.00E+00 #good for hiv2ma
98 GLU  H 99 GLY  H 2.9 1.00E+00 #good for hiv2ma
99 GLY  H 100 ALA H 2.9 1.00E+00 #good for hiv2ma
100 ALA H 101 LYS H 2.9 1.00E+00 #good for hiv2ma
101 LYS H 102 GLN  H 2.9 1.00E+00 #good for hiv2ma
102 GLN  H 103 ILE  H 2.9 1.00E+00 #good for hiv2ma
103 ILE  H 104 VAL H 2.9 1.00E+00 #good for hiv2ma
104 VAL H 105 ARG  H 2.9 1.00E+00 #good for hiv2ma
105 ARG  H 106 ARG  H 2.9 1.00E+00 #good for hiv2ma
106 ARG  H 107 HISB  H 2.9 1.00E+00 #good for hiv2ma
107 HISB  H 108 LEU H 2.9 1.00E+00 #good for hiv2ma
108 LEU H 109 VAL H 2.9 1.00E+00 #good for hiv2ma
109 VAL H 110 ALA  H 2.9 1.00E+00 #good for hiv2ma
110 ALA  H 111 GLU H 2.9 1.00E+01 #good for hiv2ma
111 GLU H 112 THR  H 2.9 1.00E+00 #good for hiv2ma
112 THR  H 113 GLY  H 2.9 1.00E+00 #good for hiv2ma
113 GLY  H 114 THR  H 2.9 1.00E+00 #good for hiv2ma
114 THR  H 115 ALA H 2.9 1.00E+00 #good for hiv2ma
115 ALA H 116 GLU H 2.9 1.00E+00 #Not assigned for hiv2ma
116 GLU H 117 LYS H 2.9 1.00E+00 #Not assigned for hiv2ma
117 LYS H 118 MET H 2.9 1.00E+00 #Not assigned for hiv2ma

# H(i)-H(i+2)
97 THR H 99 GLY  H 5.0 1.00E+00 #good for hiv2ma
98 GLU  H 100 ALA H 5.0 1.00E+00 #good for hiv2ma
99 GLY  H 101 LYS H 5.0 1.00E+00 #good for hiv2ma
100 ALA H 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
101 LYS H 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
102 GLN  H 104 VAL H 5.0 1.00E+00 #good for hiv2ma
103 ILE  H 105 ARG  H 5.0 1.00E+00 #good for hiv2ma
104 VAL H 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
105 ARG  H 107 HISB  H 5.0 1.00E+00 #good for hiv2ma
106 ARG  H 108 LEU H 5.0 1.00E+00 #good for hiv2ma
107 HISB  H 109 VAL H 5.0 1.00E+00 #good for hiv2ma
108 LEU H 110 ALA  H 5.0 1.00E+00 #good for hiv2ma
109 VAL H 111 GLU H 5.0 1.00E+00 #good for hiv2ma
110 ALA  H 112 THR  H 5.0 1.00E+00 #good for hiv2ma
111 GLU H 113 GLY  H 5.0 1.00E+00 #good for hiv2ma
112 THR  H 114 THR  H 5.0 1.00E+00 #good for hiv2ma
113 GLY  H 115 ALA H 5.0 1.00E+00 #good for hiv2ma
114 THR  H 116 GLU H 5.0 1.00E+00 #Not assigned for hiv2ma 
115 ALA H 117 LYS H 5.0 1.00E+00 #Not assigned for hiv2ma
116 GLU H 118 MET H 5.0 1.00E+00 #Not assigned for hiv2ma

# H(i)-H(i+3)
96      ASP     H       99      GLY     H       5.0     1.00E+00 #good for hiv2ma
97      THR     H       99      GLY     H       5.0     1.00E+00 #good for hiv2ma
98 GLU  H 101 LYS H 5.0 1.00E+00 #good for hiv2ma 
99 GLY  H 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
100 ALA H 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
101     LYS     H       104     VAL     H       5.0     1.00E+00 #good for hiv2ma
102 GLN  H 105 ARG  H 5.0 1.00E+00 #good for hiv2ma
103 ILE  H 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
104     VAL     H       107     HISB H       5.0     1.00E+00 #good for hiv2ma
105     ARG     H       108     LEU     H       5.0     1.00E+00 #good for hiv2ma
106     ARG     H       109     VAL     H       5.0     1.00E+00 #good for hiv2ma
107     HISB    H       110     ALA     H       5.0     1.00E+00 #good for hiv2ma
108     LEU     H       111     GLU     H       5.0     1.00E+00 #good for hiv2ma

# H(i)-H(i+4)
96 ASP  H 100 ALA H 5.0 1.00E+00 #good for hiv2ma

# aN(i)-H(i+3)
97 THR HA 100 ALA H 5.0 1.00E+00 #good for hiv2ma
98 GLU  HA 101 LYS H 5.0 1.00E+00 #good for hiv2ma
99 GLY  HA 102 GLN  H 5.0 1.00E+00 #good for hiv2ma
100 ALA HA 103 ILE  H 5.0 1.00E+00 #good for hiv2ma
101 LYS HA 104 VAL H 5.0 1.00E+00 #good for hiv2ma
102 GLN HA 105 ARG H 5.0 1.00E+00 #good for hiv2ma
103 ILE  HA 106 ARG  H 5.0 1.00E+00 #good for hiv2ma
104 VAL HA 107 HISB  H 5.0 1.00E+00 #good for hiv2ma
105     ARG     HA      108     LEU     H       5.0     1.00E+00 #good for hiv2ma
106     ARG     HA      109     VAL     H       5.0     1.00E+00 #good for hiv2ma

# aN(i)-H(i+4)
98 GLU  HA 102 GLN  H 5.0 1.00E+00 #good for hiv2ma 
101 LYS HA 105 ARG  H 5.0 1.00E+00 #good for hiv2ma

# aN(i)-bN(i+3)
97 THR HA 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
98 GLU  HA 101 LYS QB 3.3 1.00E+00 #good for hiv2ma
99 GLY  HA 102 GLN  QB 3.3 1.00E+00 #good for hiv2ma
100 ALA HA 103 ILE  HB 3.3 1.00E+00 #good for hiv2ma
101 LYS HA 104 VAL HB 3.3 1.00E+00 #good for hiv2ma
102 GLN  HA 105 ARG  QB 3.3 1.00E+00 #good for hiv2ma
103 ILE  HA 106 ARG  QB 3.3 1.00E+00 #good for hiv2ma
104 VAL HA 107 HISB  QB 3.3 1.00E+00 #good for hiv2ma
105 ARG  HA 108 LEU QB 3.3 1.00E+00 #good for hiv2ma
106 ARG  HA 109 VAL QB 3.3 1.00E+00 #good for hiv2ma
107     HISB    HA      110     ALA     QB      3.3     1.00E+00 #good for hiv2ma 
108 LEU HA 111 GLU QB 3.3 1.00E+00 #good for hiv2ma
109 VAL  HA 112 THR  HB 3.3 1.00E+00 #good for hiv2ma
111 GLU HA 114 THR  HB 5.0 1.00E-01 #good for hiv2ma
112 THR  HA 115 ALA QB 5.0 1.00E-01 #good for hiv2ma

#################################################################################

##========================================
##DIFS   Differences between myr-MA and MA
##========================================
##MYR 1
1       MYRN    Q14     16      LEU     QD1     2.7     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     16      LEU     QD2     2.7     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     16      LEU     HG      5.0     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     34      ILE     QG2     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     34      ILE     QD1     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     85      ILE     QD1     3.3     1.00E+00 #good for hiv2-myrma
1       MYRN    Q14     85      ILE     QG2     3.3     1.00E+00 #good for hiv2-myrma

## Methylene groups 5-11 are degenerate.  We chose C8 as the "pseudoatom"
## for these degenerate protons, and added 3.5 A.

1       MYRN    C8      7       VAL     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      8       LEU     HA      8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      8       LEU     HG      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QB      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      34      ILE     QG1     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      38      ALA     QB      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      48      GLU     HB2     8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      35      VAL     QG2     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      51      LEU     QD1     6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      52      GLU     HA      6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      52      GLU     H       6.8     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      85      ILE     QD1     8.5     1.00E+00 #good for hiv2-myrma
1       MYRN    C8      85      ILE     QG2     8.5     1.00E+00 #good for hiv2-myrma
#####################################################################################


#VAL 7
7 VAL H 7 VAL HB 2.7 1.00E+00 #good for hiv2ma
7 VAL H 8 LEU H 2.7 1.00E+00 #good for hiv2ma
7 VAL HB 8 LEU H 2.7 1.00E+00 #good for hiv2ma
7 VAL HB 34 ILE QG2 5.0 1.00E+00 #Diff weak for myrma
#7 VAL HB 34 ILE QD1 5.0 1.00E+00 #Diff not obsvd for myrma
7 VAL QG2 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA
7 VAL QG1 34 ILE QG2 5.0 1.00E+00 #good for hiv2myrma but weaker than MA
#7 VAL QG1 51 LEU QD1 5.0 1.00E+00 #OVERLAP
#7 VAL QG2 51 LEU QD1 5.0 1.00E+00 #OVERLAP
#7 VAL HA 52 GLU  HA 2.7 1.00E+00 #Diff not obsvd for myrma
#7      VAL     HA      52      GLU     QG      3.3     1.00E+00 #Diff not obsvd for myrma
#7      VAL     QG1     52      GLU     HA      3.3     1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 85 ILE QG1 5.0 1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 85 ILE QG2 5.0 1.00E+00 #OVERLAP
#7      VAL     QG1     85      ILE     QD1     5.0     1.00E+00 #Diff not obsvd for myrma
#7 VAL QG1 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma

#LEU 8
8 LEU HA 8 LEU QD2 2.7 1.00E+00 #good for hiv2ma
8 LEU HG 8 LEU H 3.3 1.00E+00 #good for hiv2ma (Defines stereo & orientation)
8 LEU HA 9 ARG H 2.7 1.00E+00 #good for hiv2ma
8       LEU     QD2     9       ARG     H       3.3     1.00E+00 #good for hiv2ma
#8 LEU HB3 13 ALA H 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 13 ALA H 5.0 1.00E+00 #very weak for myrma 
#8 LEU QD1 13 ALA HA 2.7 1.00E+00 #Diff not obsvd for myrma
#8      LEU     QD2     13      ALA     HA      5.0     1.00E+00 #Diff not obsvd for myrma
#8 LEU QB 13 ALA QB 5.0 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls
#8 LEU QD2 16 LEU H 5.0 1.00E+00 #overlap of 8 and 16-methyls
#8 LEU QD1 16 LEU HG 2.7 1.00E+00 #overlap of 8 and 16-methyls
#8      LEU     QD1     16      LEU     HB2     3.3     1.00E+00 #Diff not obsvd for myrma
#8      LEU     QD1     16      LEU     HB3     3.3     1.00E+00 #Diff not obsvd for myrma
#8 LEU HG 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD1 34 ILE QD1 3.3 1.00E+00 #Diff not obsvd for myrma
#8 LEU QD2 85 ILE QD1 5.0 1.00E+00 #OVERLAP
#8 LEU QD2 89 HISB HE1 2.7 1.00E+00 #Diff not obsvd for myrma

#ARG 9
9       ARG HA 9       ARG HB2 5.0 1.00E+00 #Diff. weaker in hiv2myrma
9 ARG HA 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma
9 ARG H 9 ARG HB3 5.0 1.00E+00 #Diff. weaker in hiv2myrma
#9 ARG HB2 10 GLY H 5.5 1.00E+00 #Diff not obsvd for myrma
9       ARG     QG      12      LYS     QG      5.0     1.00E+00 #Diff. weaker in hiv2myrma
9       ARG     QD      12      LYS     QD      5.0     1.00E+00 #Diff. weaker in hiv2myrma
#9 ARG H 13 ALA H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG HB2 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG HB3 12 LYS H 5.0 1.00E+00 #Diff not obsvd for myrma
#9 ARG H 89 HISB HE1 5.0 1.00E+00 #Diff not obsvd for myrma

#GLY 10
#10 GLY H 13 ALA QB 5.5 1.00E+00 #Diff not obsvd for myrma

#LYS 11

#LYS 12
12 LYS H 12 LYS HB2 3.3 1.00E+00 #Diff weak for myrma
12 LYS H 12 LYS HG3 5.0 1.00E+00 #Diff weak for myrma
12 LYS  HA 88 ILE QG2 5.0 1.00E+00 #Diff weak for myrma

#ALA 13 
13 ALA QB 14 ASP H 3.3 1.00E+00 #good for hiv2myrma
13      ALA     HA      16      LEU     QB      5.0     1.00E+00 #good for hiv2myrma

#LEU 16
16 LEU QD1 16 LEU HB3 3.3 1.00E+00 #good for hiv2ma
16      LEU     HA      16      LEU     HG      5.5     1.00E+00 #v.weak for hiv2ma (defines chirality)
16      LEU     HA      16      LEU     HB2     3.3     1.00E+00 #good for hiv2ma (defines chirality)
16      LEU     HA      16      LEU     HB3     5.0     1.00E+00 #good for hiv2ma (defines chirality)
16      LEU     HB3     17      GLU     H       3.3     1.00E+00 #good for hiv2ma
16      LEU     QD2     19      ILE     QD1     3.3     1.00E+00 #good for hiv2ma
16 LEU HA 19 ILE QD1 3.3 1.00E+00 #good for hiv2ma
16      LEU     HA      29      TYR     HD2     5.5     1.00E+00 #good for hiv2ma
16      LEU     QD1     29      TYR     HB3     2.7     1.00E+00 #good for hiv2ma
16      LEU     QD2     29      TYR     HB2     2.7     1.00E+00 #good for hiv2ma
16      LEU     QD2     29      TYR     HB3     2.7     1.00E+00 #good for hiv2ma
16      LEU     H       88      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
16 LEU H 88 ILE QG1 5.0 1.00E+00 #good for hiv2ma
16 LEU H 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma
16 LEU HA 88 ILE QD1 5.0 1.00E+00 #good for hiv2ma

#GLU 17
17 GLU QB 18 ARG H 3.3 1.00E+00 #good for hiv2ma
17 GLU  HA 29 TYR  HB2 5.0 1.00E+00 #good for hiv2ma

#ARG 18
18 ARG HA 28 LYS QD 3.3 1.00E+00 #good for hiv2ma
18 ARG HA 28 LYS QE 5.0 1.00E+00 #good for hiv2ma

#ILE 19
19 ILE H 28 LYS QB 5.0 1.00E+00 #good for hiv2ma 
19 ILE H 29 TYR HD2 5.0 1.00E+00 #good for hiv2ma
19 ILE HB 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR HD2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR HE2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 29 TYR H 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma
19 ILE QD1 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma
19 ILE HG12 94 VAL QG2 3.3 1.00E+00 #good for hiv2ma Confirm stereo VAL 94
19 ILE QD1 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 96 ASP HA 2.7 1.00E+00 #good for hiv2ma
19 ILE QG2 96 ASP H 5.0 1.00E+00 #good for hiv2ma
19 ILE QG2 97 THR H 5.0 1.00E+00 #good for hiv2ma

#ARG 20
20 ARG  HA 28 LYS  HA 2.7 1.00E+00 #good for hiv2ma 
20      ARG     QB      22      ARG     H       3.3     1.00E+00 #good for hiv2ma

#LEU 21
21 LEU HA 21 LEU QD2 2.7 1.00E+0  #good for hiv2ma
21 LEU HG 21 LEU H 2.7 1.00E+00 #Very strong. Defines chirality
21 LEU HG 28 LYS HA 5.0 1.00E+00 #good for hiv2ma
21      LEU     QD1     28      LYS     H       5.0     1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR QE 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR QD 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR HA 3.3 1.00E+00 #good for hiv2ma
21 LEU QD2 29 TYR H 5.0 1.00E+00 #good for hiv2ma
21 LEU QD2 33 HISB HE1 5.0 1.00E+00 #good for hiv2ma
21 LEU QD1 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
21 LEU HA 97 THR H 5.0 1.00E+00 #good for hiv2ma

#ARG 22
22      ARG     HA      23      PRO     QD      2.7     1.00E+00 #good for hiv2ma
22      ARG     QB      23      PRO     QD      2.7     1.00E+00 #good for hiv2ma
22 ARG H 96 ASP HB2 5.0 1.00E+00 #good for hiv2ma
22 ARG H 96 ASP HB3 5.0 1.00E+00 #good for hiv2ma
22 ARG H 97 THR H 5.0 1.00E+00 #good for hiv2ma
22 ARG HA 97 THR H 5.0 1.00E+00 #good for hiv2ma
22 ARG HA 97 THR HB 5.0 1.00E+00 #good for hiv2ma

#PRO 23
23 PRO HB2 24 GLY H 3.3 1.00E+00 #good for hiv2ma
23 PRO HD2 24 GLY H 5.0 1.00E+00 #good for hiv2ma
23 PRO HA 96 ASP HB2 3.3 1.00E+00 #good for hiv2ma
23 PRO HA 96 ASP HB3 3.3 1.00E+00 #good for hiv2ma
23 PRO HA 97 THR H 5.0 1.00E+00 #good for hiv2ma
23      PRO     QD      98      GLU     QG      3.3     1.00E+00 #good for hiv2ma

#GLY 25
25      GLY     H       22      ARG     QB      3.3     1.00E+00 #good for hiv2ma

#LYS 27
27 LYS H 27 LYS QB 2.7 1.00E+00 #good for hiv2ma

#LYS 28
28      LYS     H       27      LYS     HA      2.7     1.00E+00 #good for hiv2ma

#TYR 29
29 TYR H 29 TYR HD2 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 33 HISB HD2 5.0 1.00E+00 #good for hiv2ma
29      TYR     HE1     33      HISB    HD2     5.0     1.00E+00 #good for hiv2ma
29 TYR HA 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 33 HISB QB 2.7 1.00E+00 #good for hiv2ma
29      TYR     HE1     33      HISB    QB      3.3     1.00E+00 #good for hiv2ma
29 TYR HA 33 HISB QB 5.0 1.00E+00 #good for hiv2ma
29 TYR HE1 81 THR HA 3.3 1.00E+00 #good for hiv2ma
29 TYR HE1 81 THR QG2 3.3 1.00E+00 #good for hiv2ma
29 TYR HD1 81 THR QG2 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 84 VAL QG1 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 84 VAL QG2 5.0 1.00E+00 #good for hiv2ma
29 TYR HE1 84 VAL HB 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR H 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR HA 5.0 1.00E+00 #good for hiv2ma
29 TYR HE2 97 THR QG2 5.0 1.00E+00 #good for hiv2ma

#ARG 30
30 ARG  H 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma
 30 ARG  QB 33 HISB HE1 3.3 1.00E+00 #good for hiv2ma (clear in 2D NOESY) 

#LEU 31
31 LEU HA 31 LEU QQD 2.7 1.00E+00 #good for hiv2ma
31 LEU H 31 LEU QD1 3.3 1.00E+00 #good for hiv2ma
31 LEU HA 34 ILE QD1 3.3 1.00E+00 #good for hiv2ma
31 LEU QQD 34 ILE QD1 5.0 1.00E+00 #good for hiv2ma

#HISB 33
33 HISB HD2 33 HISB H 5.0 1.00E+00 #good for hiv2ma
33 HISB HD2 33 HISB HA 2.9 1.00E+00 #good for hiv2ma
33 HISB HA 36 TRP HE3 5.0 1.00E+00 #good for hiv2ma

#ILE 34
34 ILE H 34 ILE HB 2.7 1.00E+00 #good for hiv2ma
34 ILE HB 35 VAL H 2.7 1.00E+00 #good for hiv2ma
34 ILE QG2 35 VAL QG2 5.0 1.00E+00 #good for hiv2ma
34      ILE     HA      37      ALA     QB      3.3     1.00E+00 #good for hiv2ma
34 ILE HA 81 THR QG2 5.0 1.00E+00 #good for hiv2ma
34      ILE     HA      85      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
34      ILE     HG12    85      ILE     QD1     5.0     1.00E+00 #good for hiv2ma
34 ILE QD1 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma
34 ILE QG2 85 ILE QD1 3.3 1.00E+00 #good for hiv2ma

#VAL 35 
35 VAL HA 35 VAL QG1 2.7 1.00E+00 #good for hiv2ma
35 VAL HA 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma
35 VAL H 35 VAL QG2 2.7 1.00E+00 #good for hiv2ma
35 VAL H 35 VAL HB 2.7 1.00E+00 #good for hiv2ma
35 VAL HB 36 TRP H 2.7 1.00E+00 #good for hiv2ma
35      VAL     HA      38      ALA     QB      3.3     1.00E+00 #good for hiv2ma
35      VAL     QG1     38      ALA     QB      5.0     1.00E+00 #good for hiv2ma
35      VAL     QG2     38      ALA     QB      5.0     1.00E+00 #good for hiv2ma

#TRP 36
36 TRP HE3 37 ALA H 3.3 1.00E+00 #good for hiv2ma
36      TRP     HZ2     40      LYS     QE      5.0     1.00E+00 #good for hiv2ma
36 TRP HZ2 74 ASN  HA 5.0 1.00E+00 #good for hiv2ma
36      TRP     HZ2     74      ASN     HB3     5.0     1.00E+00 #good for hiv2ma
36      TRP     HH2     74      ASN     HA      5.0     1.00E+00 #good for hiv2ma
36 TRP HH2 78 LEU H 3.3 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU H 3.3 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU HA 2.7 1.00E+00 #good for hiv2ma
36 TRP HH2 78 LEU HA 5.0 1.00E+00 #good for hiv2ma
36 TRP HZ3 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
36      TRP     HE3     78      LEU     QD1     5.0     1.00E+00 #good for hiv2ma
36 TRP HZ3 81 THR H 5.0 1.00E+00 #good for hiv2ma
36      TRP     HE3     81      THR     QG2     5.0     1.00E+00 #good for hiv2ma

#ALA 37
37 ALA QB 38 ALA H 3.3 1.00E+00 #good for hiv2ma  
37 ALA HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma
37 ALA QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma
37 ALA QB 81 THR QG2 3.3 1.00E+00 #good for hiv2ma
37 ALA QB 81 THR HB 5.0 1.00E+00 #good for hiv2ma

#ALA 38
38      ALA     QB      48      GLU     QB      2.7     1.00E+00 #good for hiv2ma
38 ALA HA 51 LEU QD1 2.7 1.00E+00 #good for hiv2ma
38 ALA H 51 LEU QD1 3.3 1.00E+00 #good for hiv2ma
38      ALA     QB      51      LEU     QD1     3.3     1.00E+00 #good for hiv2ma

#LYS  40
40 LYS  QB 78 LEU QD1 3.3 1.00E+00 #good for hiv2ma

#LEU 41
41      LEU     HG      41      LEU     H       5.0     1.00E+00 #good for hiv2-ma (weak defines chirality)
41      LEU     HA      44      PHE     HD1     3.3     1.00E+00 #good for hiv2ma
41 LEU HA 46 LEU HB2 3.3 1.00E+00 #good for hiv2ma
41      LEU     QD2     46      LEU     HB2     3.3     1.00E+00 #good for hiv2ma
41 LEU HA 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41      LEU     HA      46      LEU     QD2     5.0     1.00E+00 #good for hiv2ma
41 LEU QD1 48 GLU HA 2.7 1.00E+00 #good for hiv2ma
41 LEU QD1 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma
41 LEU QD1 51 LEU HG 2.7 1.00E+00 #good for hiv2ma
41 LEU QD1 51 LEU QD2 3.3 1.00E+00 #good for hiv2ma
41 LEU QD1 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma
41 LEU QD2 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU H 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU QD2 78 LEU QD1 5.0 1.00E+00 #good for hiv2ma
41 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
41 LEU HG 38 ALA HA 5.0 1.00E+00 #good for hiv2ma

#ASP 42
42 ASP  H 48 GLU HB3 5.0 1.00E+00 #good for hiv2ma

#PHE 44
44 PHE HB2 44 PHE H 2.7 1.00E+00 #good for hiv2ma
44 PHE HB3 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma
44 PHE QE 75 LEU HA 5.0 1.00E+00 #good for hiv2ma
44 PHE QE 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma

#LEU 46
46 LEU HB2 46 LEU H 2.7 1.00E+00 #good for hiv2ma
46      LEU     HB3     46      LEU     H       5.0     1.00E+00 #good for hiv2ma
46 LEU HA 46 LEU QD2 3.3 1.00E+00 #good for hiv2ma #(weak, defines chirality) 
46 LEU HA 46 LEU QD2 5.0 1.00E+00 #good for hiv2ma #(defines chirality)
46 LEU H 46 LEU QD1 5.0 1.00E+00 #good for hiv2ma #(defines chirality)
46      LEU     H       46      LEU     HG      3.3     1.00E+00 #good for hiv2ma
46      LEU     HA      46      LEU     HG      5.0     1.00E+00 #good for hiv2ma
46 LEU QD2 47 ALA H 3.3 1.00E+00 #good for hiv2ma 
46 LEU QD2 50 LEU QD1 3.3 1.00E+00 #good for hiv2ma
46 LEU QD1 60 ILE HA 3.3 1.00E+00 #good for hiv2ma
46 LEU QD1 60 ILE QG2 5.0 1.00E+00 #good for hiv2ma
46 LEU QD2 63 VAL HB 5.0 1.00E+00 #good for hiv2ma

#ALA 47 
47 ALA HA 49 SER H 5.0 1.00E+00 #good for hiv2ma  
47 ALA QB 49 SER H 2.7 1.00E+00 #good for hiv2ma
47 ALA QB 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma
47 ALA H 50 LEU QD1 5.0 1.00E+00 #good for hiv2ma
47 ALA QB 50 LEU H 5.0 1.00E+00 #good for hiv2ma

#SER 49
49      SER     H       50      LEU     HG      5.0     1.00E+00 #good for hiv2ma
49      SER     HA      52      GLU     QG      3.3     1.00E+00 #good for hiv2ma
49      SER     QB      52      GLU     QG      5.0     1.00E+00 #good for hiv2ma

#LEU 50
50 LEU H 50 LEU HG 2.7 1.00E+00 #good for hiv2ma
50 LEU HA 50 LEU HG 3.3 1.00E+00 #good for hiv2ma
50 LEU HA 50 LEU QD2 2.7 1.00E+00 #good for hiv2ma
50 LEU H 50 LEU HB2 2.7 1.00E+00 #good for hiv2ma
50 LEU HA 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma
50 LEU QD2 56 GLY HA3 3.3 1.00E+00 #good for hiv2ma
50 LEU QD2 56 GLY HA2 3.3 1.00E+00 #good for hiv2ma

#LEU 51
51 LEU HA 51 LEU QD2 2.7 1.00E+00 #good for hiv2ma
51 LEU HG 51 LEU H 3.3 1.00E+00 #good for hiv2ma
51 LEU HG 51 LEU HA 3.3 1.00E+00 #good for hiv2ma
51 LEU QD2 57 CYS HA 5.0 1.00E+00 #good for hiv2ma
51 LEU HA 57 CYS HA 5.0 1.00E+00 #good for hiv2ma
51 LEU HA 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
51 LEU HG 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
51 LEU QD2 60 ILE QD1 3.3 1.00E+00 #good for hiv2ma
51      LEU     HA      85      ILE     QG2     5.0     1.00E+00 #good for hiv2ma
51 LEU QD2 85 ILE QD1 2.7 1.00E+00 #good for hiv2ma 

#SER 53          
53 SER HA 53 SER QB 2.7 1.00E+00 #good for hiv2ma (helix cap)
53 SER QB 56 GLY H 5.0 1.00E+00 #good for hiv2ma
53 SER HA 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma

#LYS 54
54 LYS HA 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma
54      LYS     QD      86      TRP     HZ2     5.0     1.00E+00 #good for hiv2ma
54      LYS     QG      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
54      LYS     QD      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma  
54 LYS HA 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma
54 LYS HA 89 HISB HB3 5.0 1.00E+00 #good for hiv2ma
54 LYS HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma
54 LYS H 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma
54 LYS H 89 HISB HB3 3.3 1.00E+00 #good for hiv2ma

#GLU  55

#GLY  56
56      GLY     H       50      LEU     QD2     5.0     1.00E+00 #good for hiv2ma

#CYS 57
57      CYS     H       86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
57 CYS HB2 86 TRP HD1 2.7 1.00E+00 #good for hiv2ma
57 CYS HB3 86 TRP H 5.0 1.00E+00 #good for hiv2ma
57 CYS HB2 89 HISB HD2 5.0 1.00E+00 #good for hiv2ma

#GLN 58 
58 GLN  H 86 TRP HD1 3.3 1.00E+00 #good for hiv2ma
58 GLN  H 86 TRP HE1 5.0 1.00E+00 #good for hiv2ma
58      GLN     QB      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QG      86      TRP     HE1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QB      86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
58      GLN     QG      86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma (very close in SIV-MA x-ray struct.) 

#ILE 60
60 ILE H 60 ILE QD1 5.0 1.00E+00 #good for hiv2ma
60 ILE H 60 ILE HB 3.3 1.00E+00 #good for hiv2ma
60      ILE     H       60      ILE     HG13    2.7     1.00E+00 #good for hiv2ma
60 ILE QG2 61 LEU H 5.0 1.00E+00 #good for hiv2ma
60 ILE HB 61 LEU H 2.7 1.00E+00 #good for hiv2ma
60 ILE QG2 64 LEU QD1 3.3 1.00E+00 #good for hiv2ma
60 ILE QG2 64 LEU HG 3.3 1.00E+00 #good for hiv2ma

#LEU 61 
61 LEU HA 61 LEU QD2 2.7 1.00E+00 #good for hiv2ma
61 LEU H 61 LEU HB2 2.7 1.00E+00 #good for hiv2ma (define stereochemistry)
61      LEU     H       61      LEU     HG      2.7     1.00E+00 #good for hiv2ma (define stereochemistry)
61 LEU HB2 62 THR H 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 64 LEU QD1 5.0 1.00E+00 #good for hiv2ma
61 LEU HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma
61 LEU HA 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma 
61 LEU QD2 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 79 PHE HA 5.0 1.00E+00 #good for hiv2ma
61 LEU QD2 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 82 VAL HB 2.7 1.00E+00 #good for hiv2ma
61 LEU H 82 VAL QG2 5.0 1.00E+00 #good for hiv2ma
61 LEU QD2 83 CYS HA 5.0 1.00E+00 #good for hiv2ma
61 LEU QD1 83 CYS HA 3.3 1.00E+00 #good for hiv2ma
61 LEU QD2 83 CYS H 3.3 1.00E+00 #good for hiv2ma
61 LEU QD1 86 TRP HB2 5.0 1.00E+00 #good for hiv2ma
61 LEU QD1 86 TRP HB3 5.0 1.00E+00 #good for hiv2ma
61      LEU     QD1     86      TRP     HD1     5.0     1.00E+00 #good for hiv2ma
61 LEU QD1 104 VAL QG1 3.3 1.00E+00 #good for hiv2ma 

#THR 62
62      THR     QG2     59      LYS     HA      3.3     1.00E+00 #good for hiv2ma
62      THR     HB      59      LYS     HA      3.3     1.00E+00 #good for hiv2ma
62      THR     H       62      THR     HB      2.7     1.00E+00 #good for hiv2ma

#LEU 64
64      LEU     H       64      LEU     HG      2.7     1.00E+00 #good for hiv2ma
64 LEU HA 64 LEU HG 5.0 1.00E+00 #good for hiv2ma
64 LEU HA 64 LEU QD2 3.3 1.00E+00 #good for hiv2ma
64      LEU     HA      67      MET     HB2     3.3     1.00E+00 #good for hiv2ma
64      LEU     HA      67      MET     QG      5.0     1.00E+00 #good for hiv2ma
64 LEU HA 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma
64 LEU QD2 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
64 LEU QD2 78 LEU QD2 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 78 LEU HG 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE H 5.0 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE HA 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 79 PHE HD1 3.3 1.00E+00 #good for hiv2ma
64 LEU QD1 82 VAL QG1 3.3 1.00E+00 #good for hiv2ma

#ASP 65
65 ASP H 66 PRO HD2 3.3 1.00E+00 #good for hiv2ma
65 ASP H 66 PRO HD3 3.3 1.00E+00 #good for hiv2ma
65      ASP     QB      66      PRO     QD      2.7     1.00E+00 #good for hiv2ma
65 ASP QB 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma
65 ASP H 79 PHE HE1 5.0 1.00E+00 #good for hiv2ma
65 ASP H 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma
65 ASP HA 79 PHE HE1 3.3 1.00E+00 #good for hiv2ma
65 ASP HA 79 PHE HD1 5.0 1.00E+00 #good for hiv2ma

#PRO 66
66      PRO     HB2     67      MET     H       5.0     1.00E+00 #good for hiv2ma
66      PRO     HG2     67      MET     H       3.3     1.00E+00 #good for hiv2ma
66 PRO HD2 67 MET H 3.3 1.00E+00 #good for hiv2ma

#MET 67
67 MET QB 75 LEU QD1 5.0 1.00E+00 #good for hiv2ma 
67 MET QB 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma

#VAL 68
68      VAL     H       66      PRO     HD2     5.0     1.00E+00 #good for hiv2ma 
68 VAL H 68 VAL QG2 3.3 1.00E+00 #good for hiv2ma
68 VAL H 68 VAL HB 2.7 1.00E+00 #good for hiv2ma
68 VAL HA 68 VAL QG2 2.7 1.00E+00 #good for hiv2ma
68 VAL HA 75 LEU QD2 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma
68 VAL QG2 76 LYS  HA 3.3 1.00E+00 #good for hiv2ma
68      VAL     QG2     76      LYS     QB      5.0     1.00E+00 #good for hiv2ma
68 VAL QG2 76 LYS  QG 3.3 1.00E+00 #good for hiv2ma
68      VAL     QG1     76      LYS     QG      3.3     1.00E+00 #good for hiv2ma
68      VAL     QG1     76      LYS     QE      3.3     1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE QE 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE QD 2.7 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE HB2 3.3 1.00E+00 #good for hiv2ma
68 VAL QG2 79 PHE HB3 3.3 1.00E+00 #good for hiv2ma

#PRO 69
69 PRO HB2 70 THR H 5.0 1.00E+00 #good for hiv2ma
69      PRO     HG2     70      THR     H       3.3     1.00E+00 #good for hiv2ma
69      PRO     HD2     70      THR     H       3.3     1.00E+00 #good for hiv2ma
69      PRO     HB2     70      THR     HG2     5.0     1.00E+00 #good for hiv2ma
69      PRO     HG2     70      THR     HG2     5.0     1.00E+00 #good for hiv2ma

#GLY 71
71 GLY H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
71 GLY HA3 75 LEU QD2 3.3 1.00E+00 #good for hiv2ma
71 GLY HA2 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
71      GLY     H       76      LYS     QE      5.0     1.00E+00 #good for hiv2ma

#SER 72
72 SER H 72 SER HB3 2.7 1.00E+00 #good for hiv2ma 
72 SER HB2 73 GLU H 2.7 1.00E+00 #good for hiv2ma
72 SER H 75 LEU QD2 5.0 1.00E+00 #good for hiv2ma
72 SER H 75 LEU QB 5.0 1.00E+00 #good for hiv2ma

#SER 74
74      ASN     HA      77      SER     QB      5.0     1.00E+00 #good for hiv2ma

#LEU 75
75 LEU H 75 LEU QB 2.7 1.00E+00 #good for hiv2ma
75      LEU     HA      75      LEU     HG      2.7     1.00E+00 #good for hiv2ma
75 LEU HG 79 PHE H 5.0 1.00E+00 #good for hiv2ma (Defines stereochemistry)

#SER 77
77      SER     QB      36      TRP     HH2     3.3     1.00E+00 #good for hiv2ma
77      SER     HA      80      ASN     QB      3.3     1.00E+00 #good for hiv2ma

#LEU 78
78 LEU HA 78 LEU QD1 2.7 1.00E+00 #good for hiv2ma
78 LEU QB 79 PHE H 3.3 1.00E+00 #good for hiv2ma
78 LEU HG 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma
78 LEU QD1 82 VAL QG2 3.3 1.00E+00 #good for hiv2ma

#PHE 79
79 PHE HE2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma
79 PHE HD2 101 LYS QG 5.0 1.00E+00 #good for hiv2ma

#ASN 80
80 ASN HA 97 THR QG2 5.0 1.00E+00 #good for hiv2ma  
80 ASN QB 97 THR QG2 3.3 1.00E+00 #good for hiv2ma
80 ASN HA 101 LYS QG 3.3 1.00E+00 #good for hiv2ma

#THR 81
81 THR HA 81 THR QG2 2.7 1.00E+00 #good for hiv2ma 
81 THR HB 81 THR H 2.7 1.00E+00 #good for hiv2ma
81 THR HB 82 VAL H 2.7 1.00E+00 #good for hiv2ma

#VAL 82
82 VAL HA 82 VAL QG2 2.7 1.00E+00 #good for hiv2ma
82 VAL H 82 VAL HB 2.7 1.00E+00 #good for hiv2ma
82 VAL HB 83 CYS H 3.3 1.00E+00 #good for hiv2ma
82 VAL QG1 83 CYS H 5.0 1.00E+00 #good for hiv2ma

#CYS 83
83 CYS QB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
83      CYS     QB      101     LYS     HA      5.0     1.00E+00 #good for hiv2ma
83 CYS HA 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma
83 CYS QB 104 VAL QG2 3.3 1.00E+00 #good for hiv2ma
83 CYS QB 104 VAL QG1 5.0 1.00E+00 #good for hiv2ma

#VAL 84
84 VAL H 84 VAL HB 2.7 1.00E+00 #good for hiv2ma
84 VAL H 84 VAL QG2 3.3 1.00E+00 #good for hiv2ma
84 VAL HA 84 VAL QG2 2.7 1.00E+00 #good for hiv2ma
84 VAL HA 84 VAL QG1 2.7 1.00E+00 #good for hiv2ma
84 VAL HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma
84 VAL QG1 88 ILE QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL QG1 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 94 VAL QG2 5.0 1.00E+00 #good for hiv2ma
84 VAL QG2 97 THR HA 2.7 1.00E+00 #good for hiv2ma
84      VAL     QG2     97      THR     QG2     2.7     1.00E+00 #good for hiv2ma
84 VAL QG2 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
84 VAL H 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
84 VAL HA 100 ALA QB 2.7 1.00E+00 #good for hiv2ma

#ILE 85
85 ILE QD1 85 ILE HA 3.3 1.00E+00 #good for hiv2ma 
85 ILE HB 85 ILE H 2.7 1.00E+00 #good for hiv2ma
85      ILE     QG1     85      ILE     H       2.7     1.00E+00 #good for hiv2ma
85 ILE HB 86 TRP H 3.3 1.00E+00 #good for hiv2ma
85 ILE HA 88 ILE HB 3.3 1.00E+00 #good for hiv2ma
85 ILE QG2 89 HISB HD2 2.7 1.00E+00 #good for hiv2ma

#TRP 86
86 TRP H 86 TRP HB2 2.7 1.00E+00 #good for hiv2ma
86 TRP H 86 TRP HB3 2.7 1.00E+00 #good for hiv2ma
86      TRP     HE3     87      CYS     HA      2.7     1.00E+00 #good for hiv2ma
86 TRP HB3 87 CYS H 2.7 1.00E+00 #good for hiv2ma
86 TRP HA 89 HISB HD2 3.3 1.00E+00 #good for hiv2ma
86      TRP     QB      104     VAL     QG2     5.0     1.00E+00 #good for hiv2ma
86 TRP HE3 104 VAL QG2 2.7 1.00E+00 #good for hiv2ma
86 TRP HZ3 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma

#CYS 87
87      CYS     HA      90      ALA     QB      2.7     1.00E+00 #good for hiv2ma
87 CYS HB3 92 GLU QB 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 92 GLU QB 3.3 1.00E+00 #good for hiv2ma
87 CYS HB3 92 GLU H 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 92 GLU H 5.0 1.00E+00 #good for hiv2ma
87 CYS HB3 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma 
87 CYS HB2 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
87 CYS HA 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma
87 CYS H 104 VAL QG2 5.0 1.00E+00 #good for hiv2ma

#ILE 88
88 ILE HA 88 ILE QG1 2.7 1.00E+00 #good for hiv2ma 
88 ILE HA 88 ILE QG2 2.7 1.00E+00 #good for hiv2ma
88 ILE H 88 ILE HG13 2.7 1.00E+00 #good for hiv2ma
88 ILE H 88 ILE HB 2.7 1.00E+00 #good for hiv2ma
88 ILE HB 89 HISB H 2.7 1.00E+00 #good for hiv2ma

#HISB 89
89 HISB HD2 89 HISB HB2 3.3 1.00E+00 #good for hiv2ma

#ALA 90
90      ALA     HA      54      LYS     QD      2.9     1.00E+00 #good for hiv2ma
90      ALA     HA      54      LYS     QE      3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HH2     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HZ2     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HZ3     3.3     1.00E+00 #good for hiv2ma
90      ALA     QB      86      TRP     HE3     3.3     1.00E+00 #good for hiv2ma
90 ALA QB 92 GLU QB 3.3 1.00E+00 #good for hiv2ma
90      ALA     QB      92      GLU     QG      2.7     1.00E+00 #good for hiv2ma

#GLU 91
91      GLU     HA      88      ILE     HA      5.0     1.00E+00 #good for hiv2ma

#GLU 92
92      GLU     H       92      GLU     QB      3.3     1.00E+00 #good for hiv2ma
92      GLU     HA      94      VAL     QG1     5.0     1.00E+00 #good for hiv2ma
92 GLU QB 94 VAL QG1 5.0 1.00E+00 #good for hiv2ma
92 GLU QB 103 ILE  QG2 3.3 1.00E+00 #good for hiv2ma
92      GLU     QB      103     ILE     QD1     3.3     1.00E+00 #good for hiv2ma
92      GLU     QG      103     ILE     QG2     3.3     1.00E+00 #good for hiv2ma
92      GLU     QG      103     ILE     QD1     5.0     1.00E+00 #good for hiv2ma

#VAL 94
94 VAL H 94 VAL QG1 3.3 1.00E+00 #good for hiv2ma
94 VAL H 94 VAL QG2 2.7 1.00E+00 #good for hiv2ma
94 VAL HA 94 VAL HB 2.7 1.00E+00 #good for hiv2ma
94 VAL HB 95 LYS  H 3.3 1.00E+00 #good for hiv2ma
94 VAL HB 96 ASP  H 3.3 1.00E+00 #good for hiv2ma
94      VAL     QG2     96      ASP     H       5.0     1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA QB 5.0 1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA H 3.3 1.00E+00 #good for hiv2ma
94 VAL HB 100 ALA HA 5.0 1.00E+00 #good for hiv2ma
94 VAL QG1 100 ALA HA 2.7 1.00E+00 #good for hiv2ma
94 VAL QG1 100 ALA QB 3.3 1.00E+00 #good for hiv2ma
94      VAL     QG2     100     ALA     QB      2.7     1.00E+00 #good for hiv2ma
94      VAL     QG1 103     ILE     QD1 2.7 1.00E+00 #good for hiv2ma

#ASP 96
96      ASP     H       96      ASP     HB3     3.3     1.00E+00 #good for hiv2ma
96 ASP HA 96 ASP HB2 2.7 1.00E+00 #good for hiv2ma
96 ASP HA 96 ASP HB3 2.7 1.00E+00 #good for hiv2ma
96      ASP     HB2     97      THR     H       3.3     1.00E+00 #good for hiv2ma
96 ASP HB2 98 GLU H 3.3 1.00E+00 #good for hiv2ma

#THR 97
97 THR HB 98 GLU H 3.3 1.00E+00 #good for hiv2ma
97      THR     HA      100     ALA     QB      3.3     1.00E+00 #good for hiv2ma

#ALA 100
100 ALA HA 100 ALA H 3.3 1.00E+00 #good for hiv2ma
100     ALA     QB      100     ALA     H       2.7     1.00E+00 #good for hiv2ma

#LYS 101
101 LYS HA 101 LYS QB 2.7 1.00E+00 #good for hiv2ma

#ILE 103
103 ILE HB 103 ILE H 2.7 1.00E+00 #good for hiv2ma
103     ILE     HG13    103     ILE     H       2.7     1.00E+00 #good for hiv2ma
103     ILE     HG12    103     ILE     HA      2.7     1.00E+00 #good for hiv2ma
103     ILE     HG13    103     ILE     HB      2.7     1.00E+00 #good for hiv2ma

#VAL 104
104 VAL HB 105 ARG H 3.3 1.00E+00 #good for hiv2ma
104     VAL     QG1     105     ARG     H       3.3     1.00E+00 #good for hiv2ma
104     VAL     HA      107     HISB    QB      5.0     1.00E+00 #good for hiv2ma
104     VAL     QG1     108     LEU     QD1     2.7     1.00E+00 #good for hiv2ma
104     VAL     QG1     108     LEU     QB      5.0     1.00E+00 #good for hiv2ma

#ARG 105
105 ARG QG 109 VAL QG2 3.3 1.00E+00 #good for hiv2ma

#HISB 107
107     HISB    HD2     103     ILE     QG2    2.7     1.00E+00 #good for hiv2ma
107     HISB    HB2     107     HISB    H      2.7     1.00E+00 #good for hiv2ma
107     HISB    HB3     107     HISB    HA     2.7     1.00E+00 #good for hiv2ma
107     HISB    HB2     107     HISB    HD2    3.3     1.00E+00 #good for hiv2ma

#LEU 108
108     LEU     HA      108     LEU     QD2    2.7     1.00E+00 #good for hiv2ma
108     LEU     HG      108     LEU     H      2.7     1.00E+00 #good for hiv2ma

#THR 112
112     THR     HA      112     THR     QG2    2.7     1.00E+00 #good for hiv2ma

################ Side Chain H-bonds ###################

21      LEU     H       27      LYS     O       2.0     1.00E+00
21      LEU     N       27      LYS     O       3.0     1.00E+00

29 TYR OH 97 THR HG1 2.0 1.00E+00
29 TYR OH 97 THR OG1 3.0 1.00E+00

30      ARG     H       33      HISB    ND1     2.0     1.00E+00
30      ARG     N       33      HISB    ND1     3.0     1.00E+00

56 GLY H 53 SER OG 2.0 1.00E+00 #Helix cap
56 GLY N 53 SER OG 3.0 1.00E+00 #Helix cap

#89 HISB ND1 12 LYS QZ 2.0 1.00E+00 #Diff
#89 HISB ND1 12 LYS NZ 3.0 1.00E+00 #diff

#89 HISB HE2 51 LEU O 2.0 1.00E+00 #Diff
#89 HISB NE2 51 LEU O 3.0 1.00E+00 #Diff

92      GLU     OE1     107     HISB    HE2     2.0     1.00E+00
92      GLU     OE1     107     HISB    NE2     3.0     1.00E+00

99      GLY     H       96      ASP     OD1     2.0     1.00E+00
99      GLY     N       96      ASP     OD1     3.0     1.00E+00

###################################################################################

# Intramolecular PIPB NOEs
300     PIPB    H2'     300     PIPB    H81     2.7     1.00E+00 #good for hiv2-ma
300     PIPB    H2'     300     PIPB    H82     2.7     1.00E+00 #good for hiv2-ma

# Intermolecular PIPB NOEs
300     PIPB    C10     21      LEU     QD2     3.8     1.00E+00 #good for hiv2-ma
300     PIPB    C10     29      TYR     HE1     3.8     1.00E+00 #good for hiv2-ma
300     PIPB    C10     77      SER     QB      5.5     1.00E+00 #good for hiv2-ma
300     PIPB    H2'     36      TRP     HD1     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H2'     36      TRP     HE1     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H2'     33      HISB    HD2     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    C1'     36      TRP     HD1     5.5     1.00E+00 #good for hiv2-ma
300     PIPB    C1'     33      HISB    HD2     5.5     1.00E+00 #good for hiv2-ma

300     PIPB    C8      29      TYR     HE1     5.5     1.00E+00 #good for hiv2-ma
300     PIPB    C8      33      HISB    HD2     3.3     1.00E+00 #good for hiv2-ma
300     PIPB    C8      36      TRP     HE3     5.5     1.00E+00 #good for hiv2-ma
300     PIPB    C8      36      TRP     HZ3     5.5     1.00E+00 #good for hiv2-ma

300     PIPB    H1      21      LEU     QD1     3.3     1.00E+00 #good for hiv2-ma
300     PIPB    H1      21      LEU     QD2     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H2      21      LEU     QD1     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H2      21      LEU     QD2     5.0     1.00E+00 #good for hiv2-ma 
300     PIPB    H2      27      LYS     QE      3.3     1.00E+00 #good for hiv2-ma
300     PIPB    H2      27      LYS     QD      3.3     1.00E+00 #good for hiv2-ma
300     PIPB    H3      21      LEU     QD1     3.3     1.00E+00 #good for hiv2-ma
300     PIPB    H3      21      LEU     QD2     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H5      21      LEU     QD1     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H5      21      LEU     QD2     5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H1      27      LYS     QD      5.0     1.00E+00 #good for hiv2-ma
300     PIPB    H1      27      LYS     QE      5.0     1.00E+00 #good for hiv2-ma


# Intermolecular H-bonds and salt bridges
300     PIPB    OP2     27      LYS     HZ1     3.0     1.00E+00
300     PIPB    OP3     27      LYS     HZ1     3.0     1.00E+00
300     PIPB    O41     22      ARG     HE      3.0     1.00E+00
300     PIPB    O51     76      LYS     HZ1     3.0     1.00E+00
##########################################################################################

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   2           H        GLY   2   8.079  10.457   0.727
    2    HA2  GLY   2           2HA      GLY   2   7.433  13.154  -0.134
    3    HA3  GLY   2           3HA      GLY   2   6.050  12.148   0.270
    4    H21  MYR   1           1H2      MYR   1   9.808   9.592  -0.854
    5    H22  MYR   1           2H2      MYR   1   9.474   9.827  -2.558
    6    H31  MYR   1           1H3      MYR   1   7.960   8.050  -2.611
    7    H32  MYR   1           2H3      MYR   1   7.123   8.616  -1.164
    8    H41  MYR   1           1H4      MYR   1   8.791   7.548   0.324
    9    H42  MYR   1           2H4      MYR   1   9.859   7.180  -1.033
   10    H51  MYR   1           1H5      MYR   1   7.020   6.008  -0.640
   11    H52  MYR   1           2H5      MYR   1   8.524   5.169  -0.257
   12    H61  MYR   1           1H6      MYR   1   8.576   4.385  -2.407
   13    H62  MYR   1           2H6      MYR   1   8.901   6.029  -2.959
   14    H71  MYR   1           1H7      MYR   1   6.955   5.463  -4.202
   15    H72  MYR   1           2H7      MYR   1   6.279   6.391  -2.862
   16    H81  MYR   1           1H8      MYR   1   5.901   4.135  -1.617
   17    H82  MYR   1           2H8      MYR   1   6.372   3.310  -3.105
   18    H91  MYR   1           1H9      MYR   1   4.509   4.557  -4.347
   19    H92  MYR   1           2H9      MYR   1   4.010   5.292  -2.824
   20   H101  MYR   1          1H10      MYR   1   4.285   2.304  -2.680
   21   H102  MYR   1          2H10      MYR   1   3.073   2.819  -3.842
   22   H111  MYR   1          1H11      MYR   1   2.370   4.426  -1.677
   23   H112  MYR   1          2H11      MYR   1   3.139   3.095  -0.827
   24   H121  MYR   1          1H12      MYR   1   1.497   1.676  -2.598
   25   H122  MYR   1          2H12      MYR   1   0.521   3.118  -2.315
   26   H131  MYR   1          1H13      MYR   1  -0.121   2.316  -0.269
   27   H132  MYR   1          2H13      MYR   1   1.556   2.319   0.281
   28   H141  MYR   1          3H14      MYR   1   1.783   0.000   0.000
   29   H142  MYR   1          1H14      MYR   1   0.000   0.000   0.000
   30   H143  MYR   1          2H14      MYR   1   0.892   0.000  -1.539
   31   H3'1  PBU 300          1H3'      PBU 300   8.630 -10.266   2.893
   32   H3'2  PBU 300          2H3'      PBU 300   9.994  -9.393   3.490
   33    H2'  PBU 300           H2'      PBU 300  10.488  -9.044   1.337
   34   H1'1  PBU 300          1H1'      PBU 300  11.257 -11.921   1.273
   35   H1'2  PBU 300          2H1'      PBU 300  11.881 -10.697   0.275
   36    H1   PBU 300           H1       PBU 300   6.911 -12.608   0.943
   37    H2   PBU 300           H2       PBU 300   6.557 -13.997   2.775
   38    H02  PBU 300           2H0      PBU 300   8.295 -15.955   1.606
   39    H3   PBU 300           H3       PBU 300   5.036 -14.275   0.850
   40    H03  PBU 300           3H0      PBU 300   5.724 -16.817   2.000
   41    H4   PBU 300           H4       PBU 300   6.939 -16.454  -0.225
   42    H5   PBU 300           H5       PBU 300   6.217 -13.714  -1.288
   43    H6   PBU 300           H6       PBU 300   8.918 -14.635  -0.214
   44    H06  PBU 300           6H0      PBU 300   9.322 -13.014  -1.694
   45    H81  PBU 300           1H8      PBU 300   9.158  -8.256  -0.892
   46    H82  PBU 300           2H8      PBU 300   8.446  -7.490   0.471
   47    H91  PBU 300           1H9      PBU 300   7.276  -6.966  -1.659
   48    H92  PBU 300           2H9      PBU 300   6.246  -7.702  -0.501
   49    H11  PBU 300           H11      PBU 300   6.585  -9.875  -1.566
   50    H12  PBU 300           H12      PBU 300   7.592  -9.138  -2.744
   51    H13  PBU 300           H13      PBU 300   5.923  -8.746  -2.675
   52   H121  PBU 300          1H12      PBU 300  14.715 -11.070   3.788
   53   H122  PBU 300          2H12      PBU 300  14.492 -12.322   2.626
   54   H131  PBU 300          1H13      PBU 300  16.699 -12.117   2.309
   55   H132  PBU 300          2H13      PBU 300  16.267 -10.755   1.354
   56   H141  PBU 300          3H14      PBU 300  18.036 -10.221   2.976
   57   H142  PBU 300          1H14      PBU 300  16.968 -10.640   4.254
   58   H143  PBU 300          2H14      PBU 300  16.644  -9.279   3.265
  Start of MODEL    2
    1    H1   GLY   2           H        GLY   2  11.019  10.918   0.111
    2    HA2  GLY   2           2HA      GLY   2  11.047  13.143   0.669
    3    HA3  GLY   2           3HA      GLY   2   9.293  13.045   0.635
    4    H21  MYR   1           1H2      MYR   1   8.542   8.383   0.882
    5    H22  MYR   1           2H2      MYR   1  10.254   8.387   1.261
    6    H31  MYR   1           1H3      MYR   1  10.775   9.164  -1.120
    7    H32  MYR   1           2H3      MYR   1   9.048   9.217  -1.479
    8    H41  MYR   1           1H4      MYR   1   9.889   6.574  -0.344
    9    H42  MYR   1           2H4      MYR   1  10.774   6.978  -1.818
   10    H51  MYR   1           1H5      MYR   1   8.950   6.186  -2.971
   11    H52  MYR   1           2H5      MYR   1   8.145   7.695  -2.533
   12    H61  MYR   1           1H6      MYR   1   6.741   6.663  -1.006
   13    H62  MYR   1           2H6      MYR   1   8.035   5.675  -0.324
   14    H71  MYR   1           1H7      MYR   1   7.625   3.872  -1.757
   15    H72  MYR   1           2H7      MYR   1   7.228   4.904  -3.133
   16    H81  MYR   1           1H8      MYR   1   5.012   5.508  -1.793
   17    H82  MYR   1           2H8      MYR   1   5.404   4.117  -0.778
   18    H91  MYR   1           1H9      MYR   1   5.200   2.550  -2.610
   19    H92  MYR   1           2H9      MYR   1   5.352   3.807  -3.837
   20   H101  MYR   1          1H10      MYR   1   3.061   3.650  -3.953
   21   H102  MYR   1          2H10      MYR   1   3.076   4.745  -2.581
   22   H111  MYR   1          1H11      MYR   1   3.298   1.823  -1.836
   23   H112  MYR   1          2H11      MYR   1   1.834   2.232  -2.716
   24   H121  MYR   1          1H12      MYR   1   1.802   4.303  -0.886
   25   H122  MYR   1          2H12      MYR   1   2.671   3.099   0.066
   26   H131  MYR   1          1H13      MYR   1  -0.117   2.758  -1.225
   27   H132  MYR   1          2H13      MYR   1   0.239   2.879   0.499
   28   H141  MYR   1          3H14      MYR   1   1.761   0.694   0.103
   29   H142  MYR   1          1H14      MYR   1  -0.010   0.502   0.173
   30   H143  MYR   1          2H14      MYR   1   0.823   0.530  -1.399
   31   H3'1  PBU 300          1H3'      PBU 300   8.782 -10.119   3.093
   32   H3'2  PBU 300          2H3'      PBU 300  10.053  -9.146   3.740
   33    H2'  PBU 300           H2'      PBU 300  10.691  -8.830   1.626
   34   H1'1  PBU 300          1H1'      PBU 300  11.514 -11.691   1.591
   35   H1'2  PBU 300          2H1'      PBU 300  12.194 -10.433   0.678
   36    H1   PBU 300           H1       PBU 300   7.518 -12.541   0.884
   37    H2   PBU 300           H2       PBU 300   6.892 -13.744   2.773
   38    H02  PBU 300           2H0      PBU 300   8.754 -15.804   2.060
   39    H3   PBU 300           H3       PBU 300   5.656 -14.213   0.688
   40    H03  PBU 300           3H0      PBU 300   6.144 -16.628   2.165
   41    H4   PBU 300           H4       PBU 300   7.667 -16.482   0.111
   42    H5   PBU 300           H5       PBU 300   7.135 -13.860  -1.305
   43    H6   PBU 300           H6       PBU 300   9.645 -14.667   0.227
   44    H06  PBU 300           6H0      PBU 300  10.274 -13.197  -1.331
   45    H81  PBU 300           1H8      PBU 300   9.807  -7.498  -0.561
   46    H82  PBU 300           2H8      PBU 300   8.457  -7.903   0.420
   47    H91  PBU 300           1H9      PBU 300   8.558  -8.069  -2.561
   48    H92  PBU 300           2H9      PBU 300   7.664  -6.918  -1.656
   49    H11  PBU 300           H11      PBU 300   6.325  -8.715  -0.678
   50    H12  PBU 300           H12      PBU 300   7.197  -9.865  -1.606
   51    H13  PBU 300           H13      PBU 300   6.195  -8.714  -2.389
   52   H121  PBU 300          1H12      PBU 300  14.555 -10.714   4.620
   53   H122  PBU 300          2H12      PBU 300  15.808 -10.099   3.611
   54   H131  PBU 300          1H13      PBU 300  13.439  -8.561   4.551
   55   H132  PBU 300          2H13      PBU 300  15.039  -8.390   5.154
   56   H141  PBU 300          3H14      PBU 300  14.474  -6.633   3.530
   57   H142  PBU 300          1H14      PBU 300  14.221  -7.841   2.336
   58   H143  PBU 300          2H14      PBU 300  15.787  -7.570   2.978
  Start of MODEL    3
    1    H1   GLY   2           H        GLY   2   9.288  13.771  -2.550
    2    HA2  GLY   2           2HA      GLY   2   8.510  15.952  -2.096
    3    HA3  GLY   2           3HA      GLY   2   6.860  15.381  -2.301
    4    H21  MYR   1           1H2      MYR   1   9.014  12.031  -4.084
    5    H22  MYR   1           2H2      MYR   1   7.411  11.421  -4.442
    6    H31  MYR   1           1H3      MYR   1   8.017  10.912  -1.585
    7    H32  MYR   1           2H3      MYR   1   9.378  10.361  -2.564
    8    H41  MYR   1           1H4      MYR   1   7.821   8.983  -3.999
    9    H42  MYR   1           2H4      MYR   1   6.430   9.566  -3.081
   10    H51  MYR   1           1H5      MYR   1   6.986   8.308  -1.136
   11    H52  MYR   1           2H5      MYR   1   8.710   8.268  -1.514
   12    H61  MYR   1           1H6      MYR   1   7.950   6.024  -1.937
   13    H62  MYR   1           2H6      MYR   1   8.127   6.737  -3.542
   14    H71  MYR   1           1H7      MYR   1   5.920   6.345  -4.007
   15    H72  MYR   1           2H7      MYR   1   5.420   7.340  -2.638
   16    H81  MYR   1           1H8      MYR   1   5.449   5.439  -1.096
   17    H82  MYR   1           2H8      MYR   1   6.346   4.427  -2.231
   18    H91  MYR   1           1H9      MYR   1   4.403   4.328  -3.784
   19    H92  MYR   1           2H9      MYR   1   3.508   5.506  -2.824
   20   H101  MYR   1          1H10      MYR   1   4.180   3.520  -0.915
   21   H102  MYR   1          2H10      MYR   1   3.875   2.559  -2.354
   22   H111  MYR   1          1H11      MYR   1   1.722   4.504  -2.210
   23   H112  MYR   1          2H11      MYR   1   1.998   3.960  -0.563
   24   H121  MYR   1          1H12      MYR   1   2.008   1.604  -2.322
   25   H122  MYR   1          2H12      MYR   1   0.566   2.563  -2.659
   26   H131  MYR   1          1H13      MYR   1  -0.388   2.142  -0.574
   27   H132  MYR   1          2H13      MYR   1   1.150   2.267   0.284
   28   H141  MYR   1          3H14      MYR   1   1.695  -0.043  -0.060
   29   H142  MYR   1          1H14      MYR   1  -0.083  -0.135   0.039
   30   H143  MYR   1          2H14      MYR   1   0.725  -0.159  -1.546
   31   H3'1  PBU 300          1H3'      PBU 300   8.791 -10.094   3.070
   32   H3'2  PBU 300          2H3'      PBU 300  10.061  -9.144   3.750
   33    H2'  PBU 300           H2'      PBU 300  10.657  -8.733   1.637
   34   H1'1  PBU 300          1H1'      PBU 300  12.437  -9.936   0.993
   35   H1'2  PBU 300          2H1'      PBU 300  12.217 -10.728   2.478
   36    H1   PBU 300           H1       PBU 300   7.423 -12.328   0.877
   37    H2   PBU 300           H2       PBU 300   6.777 -13.516   2.770
   38    H02  PBU 300           2H0      PBU 300   8.464 -15.689   1.963
   39    H3   PBU 300           H3       PBU 300   5.441 -13.862   0.722
   40    H03  PBU 300           3H0      PBU 300   5.807 -16.330   2.148
   41    H4   PBU 300           H4       PBU 300   7.266 -16.257   0.044
   42    H5   PBU 300           H5       PBU 300   6.874 -13.582  -1.315
   43    H6   PBU 300           H6       PBU 300   9.371 -14.587   0.117
   44    H06  PBU 300           6H0      PBU 300  10.049 -13.141  -1.440
   45    H81  PBU 300           1H8      PBU 300   9.802  -7.406  -0.563
   46    H82  PBU 300           2H8      PBU 300   8.435  -7.839   0.382
   47    H91  PBU 300           1H9      PBU 300   8.603  -8.003  -2.597
   48    H92  PBU 300           2H9      PBU 300   7.696  -6.843  -1.717
   49    H11  PBU 300           H11      PBU 300   6.330  -8.626  -0.755
   50    H12  PBU 300           H12      PBU 300   7.215  -9.787  -1.656
   51    H13  PBU 300           H13      PBU 300   6.234  -8.637  -2.467
   52   H121  PBU 300          1H12      PBU 300  12.519 -14.236  -0.744
   53   H122  PBU 300          2H12      PBU 300  12.493 -12.606  -1.299
   54   H131  PBU 300          1H13      PBU 300  14.822 -13.913   0.015
   55   H132  PBU 300          2H13      PBU 300  14.669 -13.662  -1.677
   56   H141  PBU 300          3H14      PBU 300  16.064 -11.940  -0.610
   57   H142  PBU 300          1H14      PBU 300  14.724 -11.484   0.364
   58   H143  PBU 300          2H14      PBU 300  14.685 -11.243  -1.332
  Start of MODEL    4
    1    H1   GLY   2           H        GLY   2  10.473   7.791   6.506
    2    HA2  GLY   2           2HA      GLY   2  10.938   9.060   8.361
    3    HA3  GLY   2           3HA      GLY   2   9.409   9.866   8.043
    4    H21  MYR   1           1H2      MYR   1   7.831   5.929   5.691
    5    H22  MYR   1           2H2      MYR   1   9.334   6.541   5.030
    6    H31  MYR   1           1H3      MYR   1   8.030   8.456   3.909
    7    H32  MYR   1           2H3      MYR   1   6.534   7.812   4.587
    8    H41  MYR   1           1H4      MYR   1   6.805   5.681   3.301
    9    H42  MYR   1           2H4      MYR   1   8.391   6.188   2.717
   10    H51  MYR   1           1H5      MYR   1   7.222   8.243   1.621
   11    H52  MYR   1           2H5      MYR   1   5.676   7.510   2.055
   12    H61  MYR   1           1H6      MYR   1   6.605   5.342   0.798
   13    H62  MYR   1           2H6      MYR   1   7.798   6.441   0.099
   14    H71  MYR   1           1H7      MYR   1   6.147   7.720  -1.083
   15    H72  MYR   1           2H7      MYR   1   4.836   7.229  -0.006
   16    H81  MYR   1           1H8      MYR   1   5.892   4.789  -1.192
   17    H82  MYR   1           2H8      MYR   1   5.748   5.962  -2.503
   18    H91  MYR   1           1H9      MYR   1   3.453   5.843  -2.506
   19    H92  MYR   1           2H9      MYR   1   3.350   6.086  -0.762
   20   H101  MYR   1          1H10      MYR   1   4.199   3.543  -0.624
   21   H102  MYR   1          2H10      MYR   1   3.661   3.433  -2.293
   22   H111  MYR   1          1H11      MYR   1   1.406   4.593  -1.135
   23   H112  MYR   1          2H11      MYR   1   2.069   3.759   0.262
   24   H121  MYR   1          1H12      MYR   1   2.234   1.743  -1.696
   25   H122  MYR   1          2H12      MYR   1   0.767   2.593  -2.181
   26   H131  MYR   1          1H13      MYR   1  -0.435   1.863  -0.338
   27   H132  MYR   1          2H13      MYR   1   0.894   2.162   0.783
   28   H141  MYR   1          3H14      MYR   1   1.943  -0.008   0.295
   29   H142  MYR   1          1H14      MYR   1   0.199  -0.352   0.441
   30   H143  MYR   1          2H14      MYR   1   0.955  -0.239  -1.166
   31   H3'1  PBU 300          1H3'      PBU 300  12.850 -11.149   1.495
   32   H3'2  PBU 300          2H3'      PBU 300  11.352 -11.516   0.718
   33    H2'  PBU 300           H2'      PBU 300  10.715  -9.179   1.852
   34   H1'1  PBU 300          1H1'      PBU 300  13.504  -8.631   1.012
   35   H1'2  PBU 300          2H1'      PBU 300  12.442  -7.599   1.843
   36    H1   PBU 300           H1       PBU 300   7.822 -12.361   0.444
   37    H2   PBU 300           H2       PBU 300   6.972 -13.491   2.291
   38    H02  PBU 300           2H0      PBU 300   8.312 -15.875   1.430
   39    H3   PBU 300           H3       PBU 300   5.628 -13.562   0.222
   40    H03  PBU 300           3H0      PBU 300   5.585 -16.099   1.570
   41    H4   PBU 300           H4       PBU 300   7.066 -16.190  -0.517
   42    H5   PBU 300           H5       PBU 300   7.115 -13.447  -1.793
   43    H6   PBU 300           H6       PBU 300   9.404 -14.873  -0.372
   44    H06  PBU 300           6H0      PBU 300  10.321 -13.502  -1.875
   45    H81  PBU 300           1H8      PBU 300   9.260  -7.653   0.156
   46    H82  PBU 300           2H8      PBU 300   8.324  -9.024   0.596
   47    H91  PBU 300           1H9      PBU 300   8.324  -8.747  -2.235
   48    H92  PBU 300           2H9      PBU 300   7.816  -7.273  -1.521
   49    H11  PBU 300           H11      PBU 300   6.149  -8.476  -0.201
   50    H12  PBU 300           H12      PBU 300   6.634  -9.948  -0.935
   51    H13  PBU 300           H13      PBU 300   5.895  -8.722  -1.879
   52   H121  PBU 300          1H12      PBU 300  13.264  -9.265   6.201
   53   H122  PBU 300          2H12      PBU 300  14.400  -9.877   5.059
   54   H131  PBU 300          1H13      PBU 300  14.967  -7.268   4.946
   55   H132  PBU 300          2H13      PBU 300  14.473  -7.401   6.586
   56   H141  PBU 300          3H14      PBU 300  16.895  -7.732   6.323
   57   H142  PBU 300          1H14      PBU 300  16.583  -9.082   5.309
   58   H143  PBU 300          2H14      PBU 300  16.159  -9.129   6.968
  Start of MODEL    5
    1    H1   GLY   2           H        GLY   2  11.940  11.222  -0.207
    2    HA2  GLY   2           2HA      GLY   2  12.267  10.596   2.534
    3    HA3  GLY   2           3HA      GLY   2  13.080  11.894   1.671
    4    H21  MYR   1           1H2      MYR   1  10.596   9.945  -1.436
    5    H22  MYR   1           2H2      MYR   1   9.010  10.552  -1.000
    6    H31  MYR   1           1H3      MYR   1   8.497   8.269   0.109
    7    H32  MYR   1           2H3      MYR   1  10.081   7.695  -0.414
    8    H41  MYR   1           1H4      MYR   1   9.101   7.034  -2.378
    9    H42  MYR   1           2H4      MYR   1   8.966   8.739  -2.815
   10    H51  MYR   1           1H5      MYR   1   6.719   7.987  -3.025
   11    H52  MYR   1           2H5      MYR   1   6.713   8.739  -1.428
   12    H61  MYR   1           1H6      MYR   1   5.833   6.753  -0.668
   13    H62  MYR   1           2H6      MYR   1   7.479   6.123  -0.769
   14    H71  MYR   1           1H7      MYR   1   6.934   4.710  -2.499
   15    H72  MYR   1           2H7      MYR   1   6.224   6.021  -3.444
   16    H81  MYR   1           1H8      MYR   1   4.190   5.762  -1.646
   17    H82  MYR   1           2H8      MYR   1   4.869   4.146  -1.442
   18    H91  MYR   1           1H9      MYR   1   4.425   3.507  -3.706
   19    H92  MYR   1           2H9      MYR   1   4.380   5.171  -4.289
   20   H101  MYR   1          1H10      MYR   1   2.090   4.530  -4.297
   21   H102  MYR   1          2H10      MYR   1   2.216   5.497  -2.836
   22   H111  MYR   1          1H11      MYR   1   2.340   2.400  -2.913
   23   H112  MYR   1          2H11      MYR   1   0.879   3.333  -2.630
   24   H121  MYR   1          1H12      MYR   1   2.614   4.428  -0.695
   25   H122  MYR   1          2H12      MYR   1   3.126   2.740  -0.731
   26   H131  MYR   1          1H13      MYR   1   0.173   3.614  -0.425
   27   H132  MYR   1          2H13      MYR   1   1.235   3.269   0.943
   28   H141  MYR   1          3H14      MYR   1   1.507   0.890   0.227
   29   H142  MYR   1          1H14      MYR   1  -0.236   1.268   0.229
   30   H143  MYR   1          2H14      MYR   1   0.663   1.212  -1.305
   31   H3'1  PBU 300          1H3'      PBU 300   9.452  -9.461   2.583
   32   H3'2  PBU 300          2H3'      PBU 300  10.625  -8.491   3.396
   33    H2'  PBU 300           H2'      PBU 300  11.364  -8.089   1.307
   34   H1'1  PBU 300          1H1'      PBU 300  12.588 -10.795   1.520
   35   H1'2  PBU 300          2H1'      PBU 300  13.195  -9.479   0.635
   36    H1   PBU 300           H1       PBU 300   8.006 -11.926   0.591
   37    H2   PBU 300           H2       PBU 300   7.462 -13.170   2.480
   38    H02  PBU 300           2H0      PBU 300   9.385 -15.153   1.708
   39    H3   PBU 300           H3       PBU 300   6.203 -13.664   0.414
   40    H03  PBU 300           3H0      PBU 300   6.808 -16.074   1.857
   41    H4   PBU 300           H4       PBU 300   8.283 -15.852  -0.225
   42    H5   PBU 300           H5       PBU 300   7.628 -13.239  -1.604
   43    H6   PBU 300           H6       PBU 300  10.195 -13.967  -0.130
   44    H06  PBU 300           6H0      PBU 300  10.738 -12.460  -1.684
   45    H81  PBU 300           1H8      PBU 300   9.949  -6.814  -0.640
   46    H82  PBU 300           2H8      PBU 300   8.855  -7.694   0.350
   47    H91  PBU 300           1H9      PBU 300   8.768  -7.673  -2.636
   48    H92  PBU 300           2H9      PBU 300   7.738  -6.730  -1.640
   49    H11  PBU 300           H11      PBU 300   6.853  -8.762  -0.612
   50    H12  PBU 300           H12      PBU 300   7.859  -9.711  -1.628
   51    H13  PBU 300           H13      PBU 300   6.596  -8.771  -2.308
   52   H121  PBU 300          1H12      PBU 300  15.891  -8.223   1.323
   53   H122  PBU 300          2H12      PBU 300  14.565  -7.312   1.937
   54   H131  PBU 300          1H13      PBU 300  15.755  -6.499   3.667
   55   H132  PBU 300          2H13      PBU 300  16.653  -7.950   3.867
   56   H141  PBU 300          3H14      PBU 300  18.069  -6.083   3.124
   57   H142  PBU 300          1H14      PBU 300  17.119  -5.950   1.699
   58   H143  PBU 300          2H14      PBU 300  18.078  -7.343   1.975
  Start of MODEL    6
    1    H1   GLY   2           H        GLY   2   5.972   9.567   3.122
    2    HA2  GLY   2           2HA      GLY   2   7.955   9.346   5.034
    3    HA3  GLY   2           3HA      GLY   2   7.547  11.054   4.972
    4    H21  MYR   1           1H2      MYR   1   7.573  11.089   0.473
    5    H22  MYR   1           2H2      MYR   1   6.207  10.077   0.898
    6    H31  MYR   1           1H3      MYR   1   9.082   9.023   0.347
    7    H32  MYR   1           2H3      MYR   1   7.782   9.039  -0.846
    8    H41  MYR   1           1H4      MYR   1   6.526   7.336   0.272
    9    H42  MYR   1           2H4      MYR   1   7.260   7.666   1.844
   10    H51  MYR   1           1H5      MYR   1   9.215   6.417   1.371
   11    H52  MYR   1           2H5      MYR   1   9.136   6.724  -0.364
   12    H61  MYR   1           1H6      MYR   1   7.010   4.980   1.029
   13    H62  MYR   1           2H6      MYR   1   8.559   4.294   0.534
   14    H71  MYR   1           1H7      MYR   1   7.516   3.909  -1.489
   15    H72  MYR   1           2H7      MYR   1   7.853   5.610  -1.815
   16    H81  MYR   1           1H8      MYR   1   5.610   6.032  -1.953
   17    H82  MYR   1           2H8      MYR   1   5.421   5.596  -0.253
   18    H91  MYR   1           1H9      MYR   1   4.772   3.357  -0.736
   19    H92  MYR   1           2H9      MYR   1   5.613   3.320  -2.286
   20   H101  MYR   1          1H10      MYR   1   3.652   3.794  -3.331
   21   H102  MYR   1          2H10      MYR   1   3.666   5.400  -2.622
   22   H111  MYR   1          1H11      MYR   1   1.590   4.674  -1.827
   23   H112  MYR   1          2H11      MYR   1   2.597   4.127  -0.496
   24   H121  MYR   1          1H12      MYR   1   2.795   1.841  -1.890
   25   H122  MYR   1          2H12      MYR   1   1.357   2.429  -2.726
   26   H131  MYR   1          1H13      MYR   1  -0.025   2.261  -0.816
   27   H132  MYR   1          2H13      MYR   1   1.295   2.568   0.315
   28   H141  MYR   1          3H14      MYR   1   0.318  -0.053  -0.762
   29   H142  MYR   1          1H14      MYR   1   2.090   0.106  -0.874
   30   H143  MYR   1          2H14      MYR   1   1.276   0.280   0.698
   31   H3'1  PBU 300          1H3'      PBU 300  12.878 -11.989   1.128
   32   H3'2  PBU 300          2H3'      PBU 300  11.352 -12.353   0.407
   33    H2'  PBU 300           H2'      PBU 300  10.814 -10.009   1.652
   34   H1'1  PBU 300          1H1'      PBU 300  13.491  -9.519   0.469
   35   H1'2  PBU 300          2H1'      PBU 300  12.545  -8.443   1.380
   36    H1   PBU 300           H1       PBU 300   7.689 -13.306   0.404
   37    H2   PBU 300           H2       PBU 300   7.138 -14.520   2.311
   38    H02  PBU 300           2H0      PBU 300   8.549 -16.783   1.259
   39    H3   PBU 300           H3       PBU 300   5.581 -14.670   0.400
   40    H03  PBU 300           3H0      PBU 300   5.878 -17.218   1.693
   41    H4   PBU 300           H4       PBU 300   7.123 -17.170  -0.545
   42    H5   PBU 300           H5       PBU 300   6.822 -14.416  -1.763
   43    H6   PBU 300           H6       PBU 300   9.356 -15.677  -0.630
   44    H06  PBU 300           6H0      PBU 300   9.995 -14.223  -2.198
   45    H81  PBU 300           1H8      PBU 300   9.239  -8.400   0.154
   46    H82  PBU 300           2H8      PBU 300   8.293  -9.717   0.719
   47    H91  PBU 300           1H9      PBU 300   7.948  -9.449  -2.090
   48    H92  PBU 300           2H9      PBU 300   7.619  -7.945  -1.335
   49    H11  PBU 300           H11      PBU 300   6.067  -9.047   0.200
   50    H12  PBU 300           H12      PBU 300   6.373 -10.547  -0.574
   51    H13  PBU 300           H13      PBU 300   5.590  -9.284  -1.429
   52   H121  PBU 300          1H12      PBU 300  12.089  -8.851   5.232
   53   H122  PBU 300          2H12      PBU 300  11.483  -9.956   4.056
   54   H131  PBU 300          1H13      PBU 300  12.788 -11.729   4.953
   55   H132  PBU 300          2H13      PBU 300  13.616 -10.655   6.009
   56   H141  PBU 300          3H14      PBU 300  11.884 -11.948   7.182
   57   H142  PBU 300          1H14      PBU 300  10.695 -11.258   6.151
   58   H143  PBU 300          2H14      PBU 300  11.553 -10.276   7.263
  Start of MODEL    7
    1    H1   GLY   2           H        GLY   2  11.760   9.583   1.211
    2    HA2  GLY   2           2HA      GLY   2  13.206  10.488  -1.180
    3    HA3  GLY   2           3HA      GLY   2  11.466  10.718  -1.109
    4    H21  MYR   1           1H2      MYR   1  11.868   7.441   1.745
    5    H22  MYR   1           2H2      MYR   1  13.565   7.028   1.603
    6    H31  MYR   1           1H3      MYR   1  12.007   5.061   1.104
    7    H32  MYR   1           2H3      MYR   1  13.106   5.417  -0.230
    8    H41  MYR   1           1H4      MYR   1  11.190   6.879  -1.257
    9    H42  MYR   1           2H4      MYR   1  10.123   6.203  -0.025
   10    H51  MYR   1           1H5      MYR   1  10.756   3.842  -0.856
   11    H52  MYR   1           2H5      MYR   1  11.686   4.593  -2.154
   12    H61  MYR   1           1H6      MYR   1   9.541   4.088  -3.138
   13    H62  MYR   1           2H6      MYR   1   9.520   5.833  -2.873
   14    H71  MYR   1           1H7      MYR   1   8.342   5.333  -0.579
   15    H72  MYR   1           2H7      MYR   1   8.155   3.670  -1.143
   16    H81  MYR   1           1H8      MYR   1   7.052   4.743  -3.313
   17    H82  MYR   1           2H8      MYR   1   6.943   6.227  -2.363
   18    H91  MYR   1           1H9      MYR   1   5.317   5.362  -0.900
   19    H92  MYR   1           2H9      MYR   1   5.933   3.712  -0.991
   20   H101  MYR   1          1H10      MYR   1   4.767   3.206  -2.981
   21   H102  MYR   1          2H10      MYR   1   4.729   4.868  -3.550
   22   H111  MYR   1          1H11      MYR   1   2.466   4.513  -2.952
   23   H112  MYR   1          2H11      MYR   1   3.094   5.309  -1.518
   24   H121  MYR   1          1H12      MYR   1   2.959   3.404  -0.163
   25   H122  MYR   1          2H12      MYR   1   3.286   2.283  -1.485
   26   H131  MYR   1          1H13      MYR   1   0.848   3.232  -2.359
   27   H132  MYR   1          2H13      MYR   1   0.636   3.515  -0.629
   28   H141  MYR   1          3H14      MYR   1   1.680   0.902  -0.589
   29   H142  MYR   1          1H14      MYR   1  -0.063   1.277  -0.605
   30   H143  MYR   1          2H14      MYR   1   0.781   0.897  -2.124
   31   H3'1  PBU 300          1H3'      PBU 300   9.147 -10.541   2.962
   32   H3'2  PBU 300          2H3'      PBU 300  10.680 -10.377   3.739
   33    H2'  PBU 300           H2'      PBU 300  10.412  -9.007   1.665
   34   H1'1  PBU 300          1H1'      PBU 300  12.654  -9.955   0.669
   35   H1'2  PBU 300          2H1'      PBU 300  12.633  -9.088   2.128
   36    H1   PBU 300           H1       PBU 300   6.339 -11.920   0.419
   37    H2   PBU 300           H2       PBU 300   5.672 -13.327   2.148
   38    H02  PBU 300           2H0      PBU 300   7.340 -15.402   1.081
   39    H3   PBU 300           H3       PBU 300   4.342 -13.401   0.069
   40    H03  PBU 300           3H0      PBU 300   4.675 -16.031   1.176
   41    H4   PBU 300           H4       PBU 300   6.144 -15.713  -0.897
   42    H5   PBU 300           H5       PBU 300   5.786 -12.886  -1.914
   43    H6   PBU 300           H6       PBU 300   8.266 -14.089  -0.611
   44    H06  PBU 300           6H0      PBU 300   8.966 -12.466  -1.973
   45    H81  PBU 300           1H8      PBU 300   8.923  -8.013  -0.375
   46    H82  PBU 300           2H8      PBU 300   8.074  -9.336   0.318
   47    H91  PBU 300           1H9      PBU 300   7.933 -10.090  -2.209
   48    H92  PBU 300           2H9      PBU 300   8.072  -8.402  -2.475
   49    H11  PBU 300           H11      PBU 300   6.167  -8.002  -0.999
   50    H12  PBU 300           H12      PBU 300   6.005  -9.692  -0.754
   51    H13  PBU 300           H13      PBU 300   5.726  -9.019  -2.307
   52   H121  PBU 300          1H12      PBU 300  13.737 -13.119   3.560
   53   H122  PBU 300          2H12      PBU 300  15.384 -12.988   3.070
   54   H131  PBU 300          1H13      PBU 300  14.509 -10.931   4.918
   55   H132  PBU 300          2H13      PBU 300  14.525 -12.520   5.576
   56   H141  PBU 300          3H14      PBU 300  16.660 -11.354   5.930
   57   H142  PBU 300          1H14      PBU 300  16.850 -11.218   4.228
   58   H143  PBU 300          2H14      PBU 300  16.885 -12.755   4.984
  Start of MODEL    8
    1    H1   GLY   2           H        GLY   2   7.410  10.633   2.286
    2    HA2  GLY   2           2HA      GLY   2   4.840  11.621   2.951
    3    HA3  GLY   2           3HA      GLY   2   4.865   9.872   3.123
    4    H21  MYR   1           1H2      MYR   1   7.975  11.210   0.004
    5    H22  MYR   1           2H2      MYR   1   6.766  10.952  -1.240
    6    H31  MYR   1           1H3      MYR   1   7.588   8.512   0.422
    7    H32  MYR   1           2H3      MYR   1   8.795   9.156  -0.692
    8    H41  MYR   1           1H4      MYR   1   7.086   9.003  -2.593
    9    H42  MYR   1           2H4      MYR   1   5.924   8.294  -1.470
   10    H51  MYR   1           1H5      MYR   1   7.821   6.488  -0.973
   11    H52  MYR   1           2H5      MYR   1   8.588   7.095  -2.443
   12    H61  MYR   1           1H6      MYR   1   7.228   5.212  -3.136
   13    H62  MYR   1           2H6      MYR   1   6.383   6.652  -3.709
   14    H71  MYR   1           1H7      MYR   1   4.566   6.333  -2.293
   15    H72  MYR   1           2H7      MYR   1   5.571   5.832  -0.931
   16    H81  MYR   1           1H8      MYR   1   4.777   3.710  -1.330
   17    H82  MYR   1           2H8      MYR   1   5.929   3.660  -2.666
   18    H91  MYR   1           1H9      MYR   1   4.252   4.244  -4.311
   19    H92  MYR   1           2H9      MYR   1   3.134   4.871  -3.100
   20   H101  MYR   1          1H10      MYR   1   3.835   2.010  -2.608
   21   H102  MYR   1          2H10      MYR   1   3.133   2.231  -4.204
   22   H111  MYR   1          1H11      MYR   1   1.286   1.747  -2.710
   23   H112  MYR   1          2H11      MYR   1   1.171   3.456  -3.097
   24   H121  MYR   1          1H12      MYR   1   1.944   4.174  -0.932
   25   H122  MYR   1          2H12      MYR   1   2.655   2.605  -0.549
   26   H131  MYR   1          1H13      MYR   1  -0.386   3.068  -0.893
   27   H132  MYR   1          2H13      MYR   1   0.442   3.101   0.666
   28   H141  MYR   1          3H14      MYR   1   1.191   0.688   0.333
   29   H142  MYR   1          1H14      MYR   1  -0.583   0.827   0.231
   30   H143  MYR   1          2H14      MYR   1   0.385   0.662  -1.252
   31   H3'1  PBU 300          1H3'      PBU 300  12.630 -11.720   1.263
   32   H3'2  PBU 300          2H3'      PBU 300  11.011 -11.928   0.698
   33    H2'  PBU 300           H2'      PBU 300  10.624  -9.624   1.847
   34   H1'1  PBU 300          1H1'      PBU 300  12.553  -8.134   1.708
   35   H1'2  PBU 300          2H1'      PBU 300  12.778  -9.337   2.885
   36    H1   PBU 300           H1       PBU 300   7.419 -12.464   0.951
   37    H2   PBU 300           H2       PBU 300   6.754 -13.759   2.764
   38    H02  PBU 300           2H0      PBU 300   7.800 -16.091   1.462
   39    H3   PBU 300           H3       PBU 300   5.140 -13.514   0.911
   40    H03  PBU 300           3H0      PBU 300   5.108 -16.189   1.964
   41    H4   PBU 300           H4       PBU 300   6.284 -16.108  -0.310
   42    H5   PBU 300           H5       PBU 300   6.345 -13.239  -1.270
   43    H6   PBU 300           H6       PBU 300   8.704 -14.939  -0.354
   44    H06  PBU 300           6H0      PBU 300   9.499 -13.449  -1.812
   45    H81  PBU 300           1H8      PBU 300   9.375  -7.872   0.207
   46    H82  PBU 300           2H8      PBU 300   8.314  -9.188   0.512
   47    H91  PBU 300           1H9      PBU 300   8.582  -8.523  -2.303
   48    H92  PBU 300           2H9      PBU 300   7.853  -7.284  -1.367
   49    H11  PBU 300           H11      PBU 300   6.226  -8.887  -0.496
   50    H12  PBU 300           H12      PBU 300   6.935 -10.122  -1.453
   51    H13  PBU 300           H13      PBU 300   6.145  -8.799  -2.206
   52   H121  PBU 300          1H12      PBU 300  15.289 -10.870   3.682
   53   H122  PBU 300          2H12      PBU 300  13.924 -11.426   2.790
   54   H131  PBU 300          1H13      PBU 300  15.643 -12.432   1.193
   55   H132  PBU 300          2H13      PBU 300  16.762 -12.211   2.479
   56   H141  PBU 300          3H14      PBU 300  15.791 -14.470   2.477
   57   H142  PBU 300          1H14      PBU 300  14.230 -13.782   2.682
   58   H143  PBU 300          2H14      PBU 300  15.407 -13.647   3.921
  Start of MODEL    9
    1    H1   GLY   2           H        GLY   2   5.641  11.041   1.286
    2    HA2  GLY   2           2HA      GLY   2   7.620  12.610   2.503
    3    HA3  GLY   2           3HA      GLY   2   6.566  13.681   1.594
    4    H21  MYR   1           1H2      MYR   1   6.877  10.852  -1.942
    5    H22  MYR   1           2H2      MYR   1   5.781  10.090  -0.808
    6    H31  MYR   1           1H3      MYR   1   7.684   8.704   0.140
    7    H32  MYR   1           2H3      MYR   1   8.840   9.559  -0.883
    8    H41  MYR   1           1H4      MYR   1   8.427   7.531  -2.086
    9    H42  MYR   1           2H4      MYR   1   7.439   8.719  -2.941
   10    H51  MYR   1           1H5      MYR   1   5.466   7.657  -2.382
   11    H52  MYR   1           2H5      MYR   1   5.923   7.500  -0.684
   12    H61  MYR   1           1H6      MYR   1   6.452   5.288  -0.966
   13    H62  MYR   1           2H6      MYR   1   7.614   5.676  -2.237
   14    H71  MYR   1           1H7      MYR   1   6.185   4.505  -3.620
   15    H72  MYR   1           2H7      MYR   1   5.245   5.998  -3.658
   16    H81  MYR   1           1H8      MYR   1   3.608   5.193  -2.135
   17    H82  MYR   1           2H8      MYR   1   4.725   4.081  -1.339
   18    H91  MYR   1           1H9      MYR   1   3.953   2.372  -2.642
   19    H92  MYR   1           2H9      MYR   1   4.579   3.179  -4.080
   20   H101  MYR   1          1H10      MYR   1   2.338   3.075  -4.689
   21   H102  MYR   1          2H10      MYR   1   2.308   4.645  -3.902
   22   H111  MYR   1          1H11      MYR   1   1.274   1.944  -2.861
   23   H112  MYR   1          2H11      MYR   1   0.396   3.448  -3.088
   24   H121  MYR   1          1H12      MYR   1   1.784   4.503  -1.188
   25   H122  MYR   1          2H12      MYR   1   2.491   2.917  -0.883
   26   H131  MYR   1          1H13      MYR   1  -0.521   3.608  -0.722
   27   H132  MYR   1          2H13      MYR   1   0.554   3.345   0.653
   28   H141  MYR   1          3H14      MYR   1   0.851   0.943   0.068
   29   H142  MYR   1          1H14      MYR   1  -0.897   1.292   0.016
   30   H143  MYR   1          2H14      MYR   1   0.035   1.172  -1.495
   31   H3'1  PBU 300          1H3'      PBU 300  12.787 -11.197   1.178
   32   H3'2  PBU 300          2H3'      PBU 300  11.263 -11.535   0.440
   33    H2'  PBU 300           H2'      PBU 300  10.984  -8.954   1.331
   34   H1'1  PBU 300          1H1'      PBU 300  12.852  -7.681   0.636
   35   H1'2  PBU 300          2H1'      PBU 300  13.441  -8.849   1.720
   36    H1   PBU 300           H1       PBU 300   7.862 -12.169   0.140
   37    H2   PBU 300           H2       PBU 300   6.749 -13.030   1.991
   38    H02  PBU 300           2H0      PBU 300   7.935 -15.593   1.492
   39    H3   PBU 300           H3       PBU 300   5.596 -13.199  -0.186
   40    H03  PBU 300           3H0      PBU 300   5.197 -15.574   1.382
   41    H4   PBU 300           H4       PBU 300   6.846 -16.000  -0.530
   42    H5   PBU 300           H5       PBU 300   7.263 -13.414  -2.046
   43    H6   PBU 300           H6       PBU 300   9.274 -14.873  -0.278
   44    H06  PBU 300           6H0      PBU 300  10.445 -13.744  -1.804
   45    H81  PBU 300           1H8      PBU 300   9.313  -7.624  -0.329
   46    H82  PBU 300           2H8      PBU 300   8.410  -8.820   0.512
   47    H91  PBU 300           1H9      PBU 300   8.034  -8.611  -2.404
   48    H92  PBU 300           2H9      PBU 300   7.286  -7.425  -1.416
   49    H11  PBU 300           H11      PBU 300   6.186  -9.182  -0.123
   50    H12  PBU 300           H12      PBU 300   6.909 -10.371  -1.127
   51    H13  PBU 300           H13      PBU 300   5.756  -9.281  -1.780
   52   H121  PBU 300          1H12      PBU 300  15.637  -9.778   1.928
   53   H122  PBU 300          2H12      PBU 300  16.852 -10.165   0.770
   54   H131  PBU 300          1H13      PBU 300  15.938  -7.747  -0.087
   55   H132  PBU 300          2H13      PBU 300  15.912  -7.582   1.623
   56   H141  PBU 300          3H14      PBU 300  18.059  -6.871   0.660
   57   H142  PBU 300          1H14      PBU 300  18.286  -8.456   0.039
   58   H143  PBU 300          2H14      PBU 300  18.279  -8.182   1.731
  Start of MODEL   10
    1    H1   GLY   2           H        GLY   2   8.777  10.090   4.474
    2    HA2  GLY   2           2HA      GLY   2   7.281  10.325   6.389
    3    HA3  GLY   2           3HA      GLY   2   6.353   8.980   5.743
    4    H21  MYR   1           1H2      MYR   1   8.499  10.410   2.177
    5    H22  MYR   1           2H2      MYR   1   7.185   9.612   1.333
    6    H31  MYR   1           1H3      MYR   1   9.555   7.994   2.504
    7    H32  MYR   1           2H3      MYR   1   9.683   8.776   0.927
    8    H41  MYR   1           1H4      MYR   1   7.405   6.810   1.649
    9    H42  MYR   1           2H4      MYR   1   8.922   6.290   0.912
   10    H51  MYR   1           1H5      MYR   1   7.994   8.519  -0.690
   11    H52  MYR   1           2H5      MYR   1   6.565   7.539  -0.361
   12    H61  MYR   1           1H6      MYR   1   9.079   6.029  -1.180
   13    H62  MYR   1           2H6      MYR   1   8.317   7.019  -2.427
   14    H71  MYR   1           1H7      MYR   1   6.709   4.998  -0.734
   15    H72  MYR   1           2H7      MYR   1   7.536   4.523  -2.220
   16    H81  MYR   1           1H8      MYR   1   6.228   6.509  -3.379
   17    H82  MYR   1           2H8      MYR   1   5.241   6.563  -1.916
   18    H91  MYR   1           1H9      MYR   1   5.632   4.053  -3.680
   19    H92  MYR   1           2H9      MYR   1   4.237   5.127  -3.768
   20   H101  MYR   1          1H10      MYR   1   4.658   4.342  -0.966
   21   H102  MYR   1          2H10      MYR   1   4.660   2.886  -1.948
   22   H111  MYR   1          1H11      MYR   1   2.396   3.333  -2.782
   23   H112  MYR   1          2H11      MYR   1   2.467   5.011  -2.270
   24   H121  MYR   1          1H12      MYR   1   1.926   4.557  -0.048
   25   H122  MYR   1          2H12      MYR   1   2.782   3.015  -0.020
   26   H131  MYR   1          1H13      MYR   1   0.381   3.067  -1.856
   27   H132  MYR   1          2H13      MYR   1  -0.001   3.288  -0.147
   28   H141  MYR   1          3H14      MYR   1   1.862   1.133  -0.072
   29   H142  MYR   1          1H14      MYR   1   0.089   0.962  -0.006
   30   H143  MYR   1          2H14      MYR   1   0.941   0.823  -1.561
   31   H3'1  PBU 300          1H3'      PBU 300   8.968 -10.182   2.943
   32   H3'2  PBU 300          2H3'      PBU 300  10.091  -8.988   3.482
   33    H2'  PBU 300           H2'      PBU 300  10.870  -9.005   1.391
   34   H1'1  PBU 300          1H1'      PBU 300  11.976 -11.697   2.023
   35   H1'2  PBU 300          2H1'      PBU 300  12.594 -10.603   0.880
   36    H1   PBU 300           H1       PBU 300   7.973 -12.725   1.307
   37    H2   PBU 300           H2       PBU 300   7.354 -13.866   3.237
   38    H02  PBU 300           2H0      PBU 300   9.195 -15.962   2.571
   39    H3   PBU 300           H3       PBU 300   6.097 -14.388   1.177
   40    H03  PBU 300           3H0      PBU 300   6.579 -16.762   2.723
   41    H4   PBU 300           H4       PBU 300   8.085 -16.690   0.653
   42    H5   PBU 300           H5       PBU 300   7.562 -14.109  -0.838
   43    H6   PBU 300           H6       PBU 300  10.079 -14.887   0.697
   44    H06  PBU 300           6H0      PBU 300  10.705 -13.470  -0.909
   45    H81  PBU 300           1H8      PBU 300   9.650  -8.810  -1.031
   46    H82  PBU 300           2H8      PBU 300   8.693  -7.983   0.132
   47    H91  PBU 300           1H9      PBU 300   7.416  -9.762  -1.873
   48    H92  PBU 300           2H9      PBU 300   7.773  -8.131  -2.267
   49    H11  PBU 300           H11      PBU 300   6.455  -7.371  -0.355
   50    H12  PBU 300           H12      PBU 300   6.070  -8.999   0.025
   51    H13  PBU 300           H13      PBU 300   5.495  -8.298  -1.430
   52   H121  PBU 300          1H12      PBU 300  15.126  -8.934   2.778
   53   H122  PBU 300          2H12      PBU 300  16.044 -10.104   3.649
   54   H131  PBU 300          1H13      PBU 300  16.365 -11.426   1.754
   55   H132  PBU 300          2H13      PBU 300  15.114 -10.630   0.884
   56   H141  PBU 300          3H14      PBU 300  17.350  -9.962   0.107
   57   H142  PBU 300          1H14      PBU 300  17.700  -9.365   1.680
   58   H143  PBU 300          2H14      PBU 300  16.494  -8.618   0.718
  Start of MODEL   11
    1    H1   GLY   2           H        GLY   2   9.396   6.007   2.370
    2    HA2  GLY   2           2HA      GLY   2  11.884   5.928   3.156
    3    HA3  GLY   2           3HA      GLY   2  11.490   7.535   3.746
    4    H21  MYR   1           1H2      MYR   1   8.906   8.923   0.334
    5    H22  MYR   1           2H2      MYR   1   8.025   7.573   1.023
    6    H31  MYR   1           1H3      MYR   1   9.448   5.970  -0.434
    7    H32  MYR   1           2H3      MYR   1  10.245   7.376  -1.140
    8    H41  MYR   1           1H4      MYR   1   8.475   6.717  -2.685
    9    H42  MYR   1           2H4      MYR   1   7.959   8.231  -1.938
   10    H51  MYR   1           1H5      MYR   1   6.470   7.006  -0.347
   11    H52  MYR   1           2H5      MYR   1   7.077   5.448  -0.913
   12    H61  MYR   1           1H6      MYR   1   6.188   6.869  -3.282
   13    H62  MYR   1           2H6      MYR   1   4.944   7.136  -2.059
   14    H71  MYR   1           1H7      MYR   1   5.835   4.303  -2.025
   15    H72  MYR   1           2H7      MYR   1   5.349   4.774  -3.655
   16    H81  MYR   1           1H8      MYR   1   3.568   5.454  -1.235
   17    H82  MYR   1           2H8      MYR   1   3.512   3.848  -1.965
   18    H91  MYR   1           1H9      MYR   1   3.337   5.495  -4.239
   19    H92  MYR   1           2H9      MYR   1   2.499   6.478  -3.038
   20   H101  MYR   1          1H10      MYR   1   1.853   3.509  -3.585
   21   H102  MYR   1          2H10      MYR   1   0.991   4.833  -4.352
   22   H111  MYR   1          1H11      MYR   1  -0.328   5.181  -2.481
   23   H112  MYR   1          2H11      MYR   1   1.066   5.186  -1.413
   24   H121  MYR   1          1H12      MYR   1   0.342   2.448  -2.449
   25   H122  MYR   1          2H12      MYR   1  -0.892   3.195  -1.434
   26   H131  MYR   1          1H13      MYR   1   0.565   3.353   0.480
   27   H132  MYR   1          2H13      MYR   1   2.032   3.221  -0.493
   28   H141  MYR   1          3H14      MYR   1   0.086   0.844  -0.525
   29   H142  MYR   1          1H14      MYR   1   1.861   0.843  -0.692
   30   H143  MYR   1          2H14      MYR   1   1.115   1.091   0.904
   31   H3'1  PBU 300          1H3'      PBU 300  12.763 -11.266   1.392
   32   H3'2  PBU 300          2H3'      PBU 300  11.279 -11.692   0.619
   33    H2'  PBU 300           H2'      PBU 300  11.138  -8.948   1.135
   34   H1'1  PBU 300          1H1'      PBU 300  13.629  -9.419  -0.399
   35   H1'2  PBU 300          2H1'      PBU 300  13.047  -7.953   0.233
   36    H1   PBU 300           H1       PBU 300   7.847 -12.457   0.401
   37    H2   PBU 300           H2       PBU 300   6.859 -13.641   2.141
   38    H02  PBU 300           2H0      PBU 300   8.517 -15.898   1.526
   39    H3   PBU 300           H3       PBU 300   5.824 -13.860  -0.090
   40    H03  PBU 300           3H0      PBU 300   5.829 -16.376   1.299
   41    H4   PBU 300           H4       PBU 300   7.586 -16.349  -0.565
   42    H5   PBU 300           H5       PBU 300   7.556 -13.627  -1.886
   43    H6   PBU 300           H6       PBU 300   9.750 -14.815  -0.133
   44    H06  PBU 300           6H0      PBU 300  10.736 -13.382  -1.530
   45    H81  PBU 300           1H8      PBU 300   9.830  -7.513  -0.777
   46    H82  PBU 300           2H8      PBU 300   8.684  -8.216   0.292
   47    H91  PBU 300           1H9      PBU 300   8.226  -8.560  -2.595
   48    H92  PBU 300           2H9      PBU 300   7.900  -7.014  -1.928
   49    H11  PBU 300           H11      PBU 300   6.421  -8.030  -0.269
   50    H12  PBU 300           H12      PBU 300   6.721  -9.574  -0.952
   51    H13  PBU 300           H13      PBU 300   5.890  -8.381  -1.860
   52   H121  PBU 300          1H12      PBU 300  15.499 -10.971   3.330
   53   H122  PBU 300          2H12      PBU 300  16.878 -10.159   2.690
   54   H131  PBU 300          1H13      PBU 300  16.150  -8.078   3.516
   55   H132  PBU 300          2H13      PBU 300  14.585  -8.690   3.880
   56   H141  PBU 300          3H14      PBU 300  15.967  -8.431   5.897
   57   H142  PBU 300          1H14      PBU 300  17.100  -9.543   5.244
   58   H143  PBU 300          2H14      PBU 300  15.524 -10.062   5.672
  Start of MODEL   12
    1    H1   GLY   2           H        GLY   2   9.705   8.249  -0.758
    2    HA2  GLY   2           2HA      GLY   2  12.150   9.377   0.451
    3    HA3  GLY   2           3HA      GLY   2  11.483  10.040  -1.033
    4    H21  MYR   1           1H2      MYR   1  11.316   5.017  -0.414
    5    H22  MYR   1           2H2      MYR   1  10.255   5.813  -1.559
    6    H31  MYR   1           1H3      MYR   1   9.137   6.334   1.088
    7    H32  MYR   1           2H3      MYR   1   9.620   4.637   1.085
    8    H41  MYR   1           1H4      MYR   1   7.317   4.717   0.282
    9    H42  MYR   1           2H4      MYR   1   8.325   4.307  -1.108
   10    H51  MYR   1           1H5      MYR   1   8.349   6.843  -1.713
   11    H52  MYR   1           2H5      MYR   1   7.151   7.087  -0.441
   12    H61  MYR   1           1H6      MYR   1   5.987   4.960  -1.844
   13    H62  MYR   1           2H6      MYR   1   6.835   5.786  -3.152
   14    H71  MYR   1           1H7      MYR   1   5.154   7.336  -3.245
   15    H72  MYR   1           2H7      MYR   1   5.593   7.894  -1.628
   16    H81  MYR   1           1H8      MYR   1   3.416   7.266  -1.121
   17    H82  MYR   1           2H8      MYR   1   4.151   5.678  -0.886
   18    H91  MYR   1           1H9      MYR   1   3.625   5.115  -3.334
   19    H92  MYR   1           2H9      MYR   1   2.808   6.671  -3.493
   20   H101  MYR   1          1H10      MYR   1   1.012   5.207  -3.017
   21   H102  MYR   1          2H10      MYR   1   1.314   5.924  -1.443
   22   H111  MYR   1          1H11      MYR   1   2.845   3.804  -0.985
   23   H112  MYR   1          2H11      MYR   1   2.144   3.141  -2.453
   24   H121  MYR   1          1H12      MYR   1   0.038   2.771  -1.513
   25   H122  MYR   1          2H12      MYR   1   0.121   4.177  -0.453
   26   H131  MYR   1          1H13      MYR   1   0.712   2.821   1.293
   27   H132  MYR   1          2H13      MYR   1   2.221   2.423   0.469
   28   H141  MYR   1          3H14      MYR   1   1.325   0.241   0.605
   29   H142  MYR   1          1H14      MYR   1  -0.364   0.812   0.601
   30   H143  MYR   1          2H14      MYR   1   0.550   0.720  -0.922
   31   H3'1  PBU 300          1H3'      PBU 300  13.142 -10.698   1.152
   32   H3'2  PBU 300          2H3'      PBU 300  11.644 -11.129   0.408
   33    H2'  PBU 300           H2'      PBU 300  11.262  -8.529   1.249
   34   H1'1  PBU 300          1H1'      PBU 300  13.052  -7.204   0.593
   35   H1'2  PBU 300          2H1'      PBU 300  13.784  -8.427   1.514
   36    H1   PBU 300           H1       PBU 300   8.140 -11.984   0.209
   37    H2   PBU 300           H2       PBU 300   7.235 -12.876   2.157
   38    H02  PBU 300           2H0      PBU 300   8.621 -15.336   1.658
   39    H3   PBU 300           H3       PBU 300   5.964 -13.228   0.070
   40    H03  PBU 300           3H0      PBU 300   5.892 -15.571   1.734
   41    H4   PBU 300           H4       PBU 300   7.446 -15.914  -0.273
   42    H5   PBU 300           H5       PBU 300   7.519 -13.358  -1.891
   43    H6   PBU 300           H6       PBU 300   9.768 -14.562  -0.221
   44    H06  PBU 300           6H0      PBU 300  10.726 -13.387  -1.858
   45    H81  PBU 300           1H8      PBU 300   9.524  -7.287  -0.405
   46    H82  PBU 300           2H8      PBU 300   8.662  -8.474   0.491
   47    H91  PBU 300           1H9      PBU 300   8.204  -8.437  -2.407
   48    H92  PBU 300           2H9      PBU 300   7.521  -7.143  -1.512
   49    H11  PBU 300           H11      PBU 300   6.405  -8.740  -0.037
   50    H12  PBU 300           H12      PBU 300   7.061 -10.037  -0.949
   51    H13  PBU 300           H13      PBU 300   5.925  -8.972  -1.667
   52   H121  PBU 300          1H12      PBU 300  15.814 -10.633  -1.224
   53   H122  PBU 300          2H12      PBU 300  15.569  -9.456  -2.459
   54   H131  PBU 300          1H13      PBU 300  17.830  -9.878  -2.626
   55   H132  PBU 300          2H13      PBU 300  17.798  -8.477  -1.631
   56   H141  PBU 300          3H14      PBU 300  19.334 -10.190  -0.765
   57   H142  PBU 300          1H14      PBU 300  18.013 -11.277  -0.616
   58   H143  PBU 300          2H14      PBU 300  18.090  -9.869   0.357
  Start of MODEL   13
    1    H1   GLY   2           H        GLY   2   8.495  11.954   1.117
    2    HA2  GLY   2           2HA      GLY   2   6.544  11.908   3.155
    3    HA3  GLY   2           3HA      GLY   2   8.078  12.763   3.225
    4    H21  MYR   1           1H2      MYR   1   8.062  11.512  -1.080
    5    H22  MYR   1           2H2      MYR   1   6.413  11.501  -1.674
    6    H31  MYR   1           1H3      MYR   1   6.407   9.183  -1.683
    7    H32  MYR   1           2H3      MYR   1   6.722   9.154   0.054
    8    H41  MYR   1           1H4      MYR   1   8.918   8.550  -0.257
    9    H42  MYR   1           2H4      MYR   1   9.205   9.875  -1.387
   10    H51  MYR   1           1H5      MYR   1   9.576   7.986  -2.770
   11    H52  MYR   1           2H5      MYR   1   7.901   8.383  -3.159
   12    H61  MYR   1           1H6      MYR   1   8.260   6.498  -0.814
   13    H62  MYR   1           2H6      MYR   1   8.780   5.858  -2.374
   14    H71  MYR   1           1H7      MYR   1   6.613   5.560  -3.079
   15    H72  MYR   1           2H7      MYR   1   6.183   7.228  -2.697
   16    H81  MYR   1           1H8      MYR   1   5.977   6.526  -0.211
   17    H82  MYR   1           2H8      MYR   1   6.227   4.853  -0.717
   18    H91  MYR   1           1H9      MYR   1   4.208   5.244  -2.383
   19    H92  MYR   1           2H9      MYR   1   3.881   6.712  -1.463
   20   H101  MYR   1          1H10      MYR   1   3.578   5.434   0.631
   21   H102  MYR   1          2H10      MYR   1   4.124   3.938  -0.108
   22   H111  MYR   1          1H11      MYR   1   2.083   3.981  -1.644
   23   H112  MYR   1          2H11      MYR   1   1.596   5.509  -0.927
   24   H121  MYR   1          1H12      MYR   1   0.959   4.544   1.153
   25   H122  MYR   1          2H12      MYR   1   2.002   3.135   0.957
   26   H131  MYR   1          1H13      MYR   1  -0.037   3.299  -1.222
   27   H132  MYR   1          2H13      MYR   1  -0.788   3.271   0.375
   28   H141  MYR   1          3H14      MYR   1   1.382   1.265   0.339
   29   H142  MYR   1          1H14      MYR   1  -0.368   0.998   0.559
   30   H143  MYR   1          2H14      MYR   1   0.332   1.026  -1.076
   31   H3'1  PBU 300          1H3'      PBU 300   9.076  -9.235   2.882
   32   H3'2  PBU 300          2H3'      PBU 300  10.578  -8.577   3.423
   33    H2'  PBU 300           H2'      PBU 300  11.011  -8.608   1.196
   34   H1'1  PBU 300          1H1'      PBU 300  12.726 -10.019   2.114
   35   H1'2  PBU 300          2H1'      PBU 300  11.750 -11.398   1.946
   36    H1   PBU 300           H1       PBU 300   6.456 -12.091   1.833
   37    H2   PBU 300           H2       PBU 300   6.628 -13.413   3.738
   38    H02  PBU 300           2H0      PBU 300   8.623 -15.007   2.433
   39    H3   PBU 300           H3       PBU 300   5.006 -14.132   2.022
   40    H03  PBU 300           3H0      PBU 300   6.372 -16.388   3.162
   41    H4   PBU 300           H4       PBU 300   7.221 -15.898   0.796
   42    H5   PBU 300           H5       PBU 300   5.788 -13.452  -0.261
   43    H6   PBU 300           H6       PBU 300   8.728 -13.691   0.509
   44    H06  PBU 300           6H0      PBU 300   8.591 -12.111  -1.061
   45    H81  PBU 300           1H8      PBU 300  10.179  -7.688  -1.220
   46    H82  PBU 300           2H8      PBU 300   8.896  -7.775  -0.079
   47    H91  PBU 300           1H9      PBU 300   8.728  -8.479  -2.976
   48    H92  PBU 300           2H9      PBU 300   7.966  -7.143  -2.219
   49    H11  PBU 300           H11      PBU 300   6.632  -8.666  -0.851
   50    H12  PBU 300           H12      PBU 300   7.369 -10.006  -1.628
   51    H13  PBU 300           H13      PBU 300   6.360  -8.945  -2.521
   52   H121  PBU 300          1H12      PBU 300  14.290 -11.781   1.401
   53   H122  PBU 300          2H12      PBU 300  15.224 -11.929  -0.039
   54   H131  PBU 300          1H13      PBU 300  16.846 -11.050   1.252
   55   H132  PBU 300          2H13      PBU 300  16.098  -9.563   0.819
   56   H141  PBU 300          3H14      PBU 300  16.497  -9.725   3.239
   57   H142  PBU 300          1H14      PBU 300  15.486 -11.112   3.297
   58   H143  PBU 300          2H14      PBU 300  14.830  -9.578   2.908
  Start of MODEL   14
    1    H1   GLY   2           H        GLY   2   7.236   9.151   2.962
    2    HA2  GLY   2           2HA      GLY   2   6.008  11.757   3.280
    3    HA3  GLY   2           3HA      GLY   2   5.832  10.379   4.356
    4    H21  MYR   1           1H2      MYR   1   8.085   8.661   0.985
    5    H22  MYR   1           2H2      MYR   1   9.458   9.735   0.796
    6    H31  MYR   1           1H3      MYR   1   8.454  10.831  -1.176
    7    H32  MYR   1           2H3      MYR   1   6.859  10.166  -0.825
    8    H41  MYR   1           1H4      MYR   1   8.601   7.874  -1.053
    9    H42  MYR   1           2H4      MYR   1   9.090   8.959  -2.358
   10    H51  MYR   1           1H5      MYR   1   7.358   7.780  -3.431
   11    H52  MYR   1           2H5      MYR   1   6.456   9.172  -2.829
   12    H61  MYR   1           1H6      MYR   1   5.040   7.629  -1.872
   13    H62  MYR   1           2H6      MYR   1   6.275   7.465  -0.622
   14    H71  MYR   1           1H7      MYR   1   7.150   5.438  -1.534
   15    H72  MYR   1           2H7      MYR   1   6.581   5.793  -3.166
   16    H81  MYR   1           1H8      MYR   1   4.287   5.619  -1.288
   17    H82  MYR   1           2H8      MYR   1   5.283   4.165  -1.177
   18    H91  MYR   1           1H9      MYR   1   4.931   3.562  -3.458
   19    H92  MYR   1           2H9      MYR   1   4.585   5.215  -3.966
   20   H101  MYR   1          1H10      MYR   1   2.514   3.829  -3.970
   21   H102  MYR   1          2H10      MYR   1   2.353   5.169  -2.846
   22   H111  MYR   1          1H11      MYR   1   2.897   3.585  -0.917
   23   H112  MYR   1          2H11      MYR   1   3.101   2.278  -2.073
   24   H121  MYR   1          1H12      MYR   1   0.768   2.150  -2.612
   25   H122  MYR   1          2H12      MYR   1   0.429   3.778  -2.023
   26   H131  MYR   1          1H13      MYR   1  -0.246   2.835  -0.044
   27   H132  MYR   1          2H13      MYR   1   1.448   2.476   0.292
   28   H141  MYR   1          3H14      MYR   1   1.092   0.195   0.021
   29   H142  MYR   1          1H14      MYR   1  -0.652   0.552  -0.080
   30   H143  MYR   1          2H14      MYR   1   0.323   0.440  -1.564
   31   H3'1  PBU 300          1H3'      PBU 300   8.812 -10.036   2.824
   32   H3'2  PBU 300          2H3'      PBU 300  10.058  -9.094   3.560
   33    H2'  PBU 300           H2'      PBU 300  10.761  -8.731   1.467
   34   H1'1  PBU 300          1H1'      PBU 300  12.434 -10.374   2.393
   35   H1'2  PBU 300          2H1'      PBU 300  11.714 -11.546   1.397
   36    H1   PBU 300           H1       PBU 300   7.478 -12.399   0.645
   37    H2   PBU 300           H2       PBU 300   6.803 -13.603   2.518
   38    H02  PBU 300           2H0      PBU 300   8.620 -15.702   1.802
   39    H3   PBU 300           H3       PBU 300   5.576 -14.022   0.416
   40    H03  PBU 300           3H0      PBU 300   5.988 -16.462   1.876
   41    H4   PBU 300           H4       PBU 300   7.534 -16.336  -0.162
   42    H5   PBU 300           H5       PBU 300   7.082 -13.690  -1.560
   43    H6   PBU 300           H6       PBU 300   9.556 -14.572  -0.012
   44    H06  PBU 300           6H0      PBU 300  10.236 -13.105  -1.550
   45    H81  PBU 300           1H8      PBU 300   9.884  -7.410  -0.746
   46    H82  PBU 300           2H8      PBU 300   8.527  -7.910   0.181
   47    H91  PBU 300           1H9      PBU 300   8.734  -8.085  -2.794
   48    H92  PBU 300           2H9      PBU 300   7.788  -6.938  -1.939
   49    H11  PBU 300           H11      PBU 300   6.462  -8.744  -0.966
   50    H12  PBU 300           H12      PBU 300   7.387  -9.893  -1.843
   51    H13  PBU 300           H13      PBU 300   6.383  -8.781  -2.678
   52   H121  PBU 300          1H12      PBU 300  13.607 -11.971  -0.784
   53   H122  PBU 300          2H12      PBU 300  14.752 -10.920  -1.529
   54   H131  PBU 300          1H13      PBU 300  16.433 -12.103  -0.704
   55   H132  PBU 300          2H13      PBU 300  15.832 -11.909   0.894
   56   H141  PBU 300          3H14      PBU 300  16.031 -14.277   0.265
   57   H142  PBU 300          1H14      PBU 300  14.920 -14.013  -1.018
   58   H143  PBU 300          2H14      PBU 300  14.410 -13.877   0.613
  Start of MODEL   15
    1    H1   GLY   2           H        GLY   2   8.463  10.902   2.903
    2    HA2  GLY   2           2HA      GLY   2   6.415  12.667   3.552
    3    HA3  GLY   2           3HA      GLY   2   5.651  11.124   3.199
    4    H21  MYR   1           1H2      MYR   1   9.533  11.563   0.780
    5    H22  MYR   1           2H2      MYR   1   8.485  11.737  -0.614
    6    H31  MYR   1           1H3      MYR   1   8.071   9.080   0.696
    7    H32  MYR   1           2H3      MYR   1   9.779   9.334   0.334
    8    H41  MYR   1           1H4      MYR   1   9.283   9.770  -2.064
    9    H42  MYR   1           2H4      MYR   1   7.544   9.777  -1.760
   10    H51  MYR   1           1H5      MYR   1   9.433   7.347  -1.435
   11    H52  MYR   1           2H5      MYR   1   8.280   7.594  -2.748
   12    H61  MYR   1           1H6      MYR   1   6.797   7.866  -0.250
   13    H62  MYR   1           2H6      MYR   1   7.816   6.433  -0.092
   14    H71  MYR   1           1H7      MYR   1   6.838   5.362  -2.040
   15    H72  MYR   1           2H7      MYR   1   6.157   6.873  -2.646
   16    H81  MYR   1           1H8      MYR   1   5.116   6.351   0.070
   17    H82  MYR   1           2H8      MYR   1   4.888   4.915  -0.929
   18    H91  MYR   1           1H9      MYR   1   4.191   7.406  -2.417
   19    H92  MYR   1           2H9      MYR   1   3.264   7.266  -0.923
   20   H101  MYR   1          1H10      MYR   1   3.509   4.779  -2.668
   21   H102  MYR   1          2H10      MYR   1   2.474   6.066  -3.267
   22   H111  MYR   1          1H11      MYR   1   0.795   5.248  -1.932
   23   H112  MYR   1          2H11      MYR   1   1.714   5.780  -0.534
   24   H121  MYR   1          1H12      MYR   1   2.783   3.608  -0.227
   25   H122  MYR   1          2H12      MYR   1   2.265   3.033  -1.812
   26   H131  MYR   1          1H13      MYR   1  -0.213   3.391  -0.935
   27   H132  MYR   1          2H13      MYR   1   0.507   3.524   0.671
   28   H141  MYR   1          3H14      MYR   1   1.680   1.207   0.190
   29   H142  MYR   1          1H14      MYR   1  -0.088   1.162   0.410
   30   H143  MYR   1          2H14      MYR   1   0.609   1.085  -1.224
   31   H3'1  PBU 300          1H3'      PBU 300   9.200  -9.326   2.610
   32   H3'2  PBU 300          2H3'      PBU 300  10.543  -8.460   3.265
   33    H2'  PBU 300           H2'      PBU 300  11.233  -8.555   1.106
   34   H1'1  PBU 300          1H1'      PBU 300  13.103  -9.764   1.117
   35   H1'2  PBU 300          2H1'      PBU 300  12.631 -10.263   2.670
   36    H1   PBU 300           H1       PBU 300   7.004 -12.426   1.509
   37    H2   PBU 300           H2       PBU 300   7.033 -13.571   3.533
   38    H02  PBU 300           2H0      PBU 300   9.251 -15.131   2.602
   39    H3   PBU 300           H3       PBU 300   5.661 -14.536   1.722
   40    H03  PBU 300           3H0      PBU 300   7.014 -16.594   3.204
   41    H4   PBU 300           H4       PBU 300   8.097 -16.247   0.909
   42    H5   PBU 300           H5       PBU 300   6.657 -13.998  -0.514
   43    H6   PBU 300           H6       PBU 300   9.499 -13.976   0.589
   44    H06  PBU 300           6H0      PBU 300   9.452 -12.545  -1.123
   45    H81  PBU 300           1H8      PBU 300   9.990  -8.377  -1.315
   46    H82  PBU 300           2H8      PBU 300   9.078  -7.508  -0.147
   47    H91  PBU 300           1H9      PBU 300   7.702  -9.257  -2.107
   48    H92  PBU 300           2H9      PBU 300   8.129  -7.653  -2.541
   49    H11  PBU 300           H11      PBU 300   6.875  -6.791  -0.628
   50    H12  PBU 300           H12      PBU 300   6.421  -8.392  -0.209
   51    H13  PBU 300           H13      PBU 300   5.858  -7.695  -1.671
   52   H121  PBU 300          1H12      PBU 300  12.205 -14.613   1.072
   53   H122  PBU 300          2H12      PBU 300  12.969 -13.621  -0.111
   54   H131  PBU 300          1H13      PBU 300  14.664 -15.078   0.254
   55   H132  PBU 300          2H13      PBU 300  15.030 -13.945   1.495
   56   H141  PBU 300          3H14      PBU 300  15.086 -16.262   2.316
   57   H142  PBU 300          1H14      PBU 300  13.431 -16.436   1.888
   58   H143  PBU 300          2H14      PBU 300  13.895 -15.357   3.136
  Start of MODEL   16
    1    H1   GLY   2           H        GLY   2  11.053   7.476   4.098
    2    HA2  GLY   2           2HA      GLY   2   9.633   5.717   5.900
    3    HA3  GLY   2           3HA      GLY   2  11.362   5.804   6.201
    4    H21  MYR   1           1H2      MYR   1  11.212   5.032   1.548
    5    H22  MYR   1           2H2      MYR   1  11.650   6.685   1.933
    6    H31  MYR   1           1H3      MYR   1   9.737   7.493   0.893
    7    H32  MYR   1           2H3      MYR   1   8.703   6.472   1.893
    8    H41  MYR   1           1H4      MYR   1   8.495   4.823   0.260
    9    H42  MYR   1           2H4      MYR   1  10.180   4.953  -0.252
   10    H51  MYR   1           1H5      MYR   1   8.748   5.713  -2.106
   11    H52  MYR   1           2H5      MYR   1   9.643   7.104  -1.490
   12    H61  MYR   1           1H6      MYR   1   7.685   8.217  -1.080
   13    H62  MYR   1           2H6      MYR   1   7.189   6.965   0.061
   14    H71  MYR   1           1H7      MYR   1   6.863   6.430  -2.941
   15    H72  MYR   1           2H7      MYR   1   5.723   7.519  -2.148
   16    H81  MYR   1           1H8      MYR   1   6.320   4.617  -1.250
   17    H82  MYR   1           2H8      MYR   1   4.916   5.114  -2.199
   18    H91  MYR   1           1H9      MYR   1   5.001   6.861   0.123
   19    H92  MYR   1           2H9      MYR   1   5.306   5.229   0.719
   20   H101  MYR   1          1H10      MYR   1   3.033   5.641  -1.280
   21   H102  MYR   1          2H10      MYR   1   2.769   6.178   0.371
   22   H111  MYR   1          1H11      MYR   1   2.457   4.011   1.118
   23   H112  MYR   1          2H11      MYR   1   3.933   3.461   0.341
   24   H121  MYR   1          1H12      MYR   1   2.778   2.422  -1.322
   25   H122  MYR   1          2H12      MYR   1   1.982   3.926  -1.783
   26   H131  MYR   1          1H13      MYR   1   0.002   3.103  -0.983
   27   H132  MYR   1          2H13      MYR   1   0.667   3.132   0.651
   28   H141  MYR   1          3H14      MYR   1   1.728   0.778   0.131
   29   H142  MYR   1          1H14      MYR   1  -0.050   0.817   0.253
   30   H143  MYR   1          2H14      MYR   1   0.734   0.769  -1.343
   31   H3'1  PBU 300          1H3'      PBU 300   9.354  -8.447   3.014
   32   H3'2  PBU 300          2H3'      PBU 300  10.915  -7.852   3.446
   33    H2'  PBU 300           H2'      PBU 300  11.319  -8.086   1.241
   34   H1'1  PBU 300          1H1'      PBU 300  12.634  -9.905   0.782
   35   H1'2  PBU 300          2H1'      PBU 300  12.637  -9.930   2.480
   36    H1   PBU 300           H1       PBU 300   6.788 -11.400   1.815
   37    H2   PBU 300           H2       PBU 300   6.645 -12.385   3.917
   38    H02  PBU 300           2H0      PBU 300   8.700 -14.239   3.170
   39    H3   PBU 300           H3       PBU 300   5.218 -13.331   2.138
   40    H03  PBU 300           3H0      PBU 300   6.304 -15.405   3.805
   41    H4   PBU 300           H4       PBU 300   7.472 -15.349   1.527
   42    H5   PBU 300           H5       PBU 300   6.319 -13.072  -0.099
   43    H6   PBU 300           H6       PBU 300   9.121 -13.272   1.088
   44    H06  PBU 300           6H0      PBU 300   9.269 -11.976  -0.722
   45    H81  PBU 300           1H8      PBU 300  10.398  -7.068  -1.118
   46    H82  PBU 300           2H8      PBU 300   9.129  -7.048   0.040
   47    H91  PBU 300           1H9      PBU 300   8.879  -7.767  -2.847
   48    H92  PBU 300           2H9      PBU 300   8.194  -6.394  -2.082
   49    H11  PBU 300           H11      PBU 300   6.803  -7.847  -0.695
   50    H12  PBU 300           H12      PBU 300   7.464  -9.223  -1.478
   51    H13  PBU 300           H13      PBU 300   6.497  -8.114  -2.360
   52   H121  PBU 300          1H12      PBU 300  12.389 -12.383  -0.589
   53   H122  PBU 300          2H12      PBU 300  13.901 -12.329   0.234
   54   H131  PBU 300          1H13      PBU 300  14.103 -14.439  -0.502
   55   H132  PBU 300          2H13      PBU 300  13.102 -14.812   0.844
   56   H141  PBU 300          3H14      PBU 300  12.283 -15.849  -1.229
   57   H142  PBU 300          1H14      PBU 300  12.102 -14.286  -1.919
   58   H143  PBU 300          2H14      PBU 300  11.128 -14.767  -0.594
  Start of MODEL   17
    1    H1   GLY   2           H        GLY   2   9.676  11.243   3.122
    2    HA2  GLY   2           2HA      GLY   2  12.211  11.903   3.641
    3    HA3  GLY   2           3HA      GLY   2  11.882  12.929   2.252
    4    H21  MYR   1           1H2      MYR   1   8.774  10.393   0.594
    5    H22  MYR   1           2H2      MYR   1   9.248   9.239   1.824
    6    H31  MYR   1           1H3      MYR   1  10.766   8.061   0.288
    7    H32  MYR   1           2H3      MYR   1  10.794   9.412  -0.847
    8    H41  MYR   1           1H4      MYR   1   9.294   7.986  -1.962
    9    H42  MYR   1           2H4      MYR   1   8.146   8.963  -1.043
   10    H51  MYR   1           1H5      MYR   1   7.572   7.210   0.402
   11    H52  MYR   1           2H5      MYR   1   9.204   6.540   0.430
   12    H61  MYR   1           1H6      MYR   1   8.254   4.872  -0.873
   13    H62  MYR   1           2H6      MYR   1   8.606   5.989  -2.195
   14    H71  MYR   1           1H7      MYR   1   6.376   6.226  -2.670
   15    H72  MYR   1           2H7      MYR   1   6.036   6.772  -1.027
   16    H81  MYR   1           1H8      MYR   1   6.223   4.146  -0.420
   17    H82  MYR   1           2H8      MYR   1   5.948   3.918  -2.149
   18    H91  MYR   1           1H9      MYR   1   3.734   4.654  -2.056
   19    H92  MYR   1           2H9      MYR   1   4.064   5.882  -0.833
   20   H101  MYR   1          1H10      MYR   1   4.348   3.966   0.889
   21   H102  MYR   1          2H10      MYR   1   3.776   2.839  -0.330
   22   H111  MYR   1          1H11      MYR   1   2.159   5.294   0.650
   23   H112  MYR   1          2H11      MYR   1   2.043   3.695   1.366
   24   H121  MYR   1          1H12      MYR   1   1.669   3.264  -1.463
   25   H122  MYR   1          2H12      MYR   1   0.732   4.708  -1.076
   26   H131  MYR   1          1H13      MYR   1  -0.875   3.087  -0.542
   27   H132  MYR   1          2H13      MYR   1  -0.108   3.236   1.040
   28   H141  MYR   1          3H14      MYR   1   1.468   1.254   0.348
   29   H142  MYR   1          1H14      MYR   1  -0.251   0.825   0.555
   30   H143  MYR   1          2H14      MYR   1   0.424   1.043  -1.076
   31   H3'1  PBU 300          1H3'      PBU 300   9.392  -9.390   2.892
   32   H3'2  PBU 300          2H3'      PBU 300  10.819  -8.721   3.598
   33    H2'  PBU 300           H2'      PBU 300  11.378  -8.710   1.368
   34   H1'1  PBU 300          1H1'      PBU 300  12.352 -11.434   2.063
   35   H1'2  PBU 300          2H1'      PBU 300  13.081 -10.327   1.001
   36    H1   PBU 300           H1       PBU 300   6.889 -12.086   1.493
   37    H2   PBU 300           H2       PBU 300   6.556 -13.112   3.553
   38    H02  PBU 300           2H0      PBU 300   8.519 -15.087   2.870
   39    H3   PBU 300           H3       PBU 300   5.174 -13.911   1.670
   40    H03  PBU 300           3H0      PBU 300   6.014 -16.096   3.336
   41    H4   PBU 300           H4       PBU 300   7.315 -16.067   1.129
   42    H5   PBU 300           H5       PBU 300   6.419 -13.674  -0.493
   43    H6   PBU 300           H6       PBU 300   9.125 -14.101   0.844
   44    H06  PBU 300           6H0      PBU 300   9.469 -12.773  -0.917
   45    H81  PBU 300           1H8      PBU 300  10.289  -8.611  -1.119
   46    H82  PBU 300           2H8      PBU 300   9.322  -7.658  -0.067
   47    H91  PBU 300           1H9      PBU 300   8.055  -9.510  -2.011
   48    H92  PBU 300           2H9      PBU 300   8.509  -7.928  -2.492
   49    H11  PBU 300           H11      PBU 300   7.140  -6.980  -0.703
   50    H12  PBU 300           H12      PBU 300   6.659  -8.560  -0.239
   51    H13  PBU 300           H13      PBU 300   6.188  -7.934  -1.765
   52   H121  PBU 300          1H12      PBU 300  14.990  -9.862   5.432
   53   H122  PBU 300          2H12      PBU 300  13.508 -10.741   5.371
   54   H131  PBU 300          1H13      PBU 300  15.211 -12.634   4.572
   55   H132  PBU 300          2H13      PBU 300  16.232 -11.736   5.623
   56   H141  PBU 300          3H14      PBU 300  15.073 -13.558   6.798
   57   H142  PBU 300          1H14      PBU 300  13.567 -12.845   6.385
   58   H143  PBU 300          2H14      PBU 300  14.642 -12.044   7.453
  Start of MODEL   18
    1    H1   GLY   2           H        GLY   2   9.563   9.243   1.700
    2    HA2  GLY   2           2HA      GLY   2   8.667   9.077   3.826
    3    HA3  GLY   2           3HA      GLY   2   9.650   7.644   4.085
    4    H21  MYR   1           1H2      MYR   1  12.537   8.078   0.372
    5    H22  MYR   1           2H2      MYR   1  11.054   8.925  -0.023
    6    H31  MYR   1           1H3      MYR   1  10.863   5.882   0.257
    7    H32  MYR   1           2H3      MYR   1  11.773   6.487  -1.127
    8    H41  MYR   1           1H4      MYR   1   9.757   7.950  -1.762
    9    H42  MYR   1           2H4      MYR   1   8.849   7.234  -0.427
   10    H51  MYR   1           1H5      MYR   1  10.155   5.243  -2.305
   11    H52  MYR   1           2H5      MYR   1   8.886   6.234  -3.029
   12    H61  MYR   1           1H6      MYR   1   8.569   4.555  -0.447
   13    H62  MYR   1           2H6      MYR   1   8.006   4.066  -2.047
   14    H71  MYR   1           1H7      MYR   1   6.796   6.566  -1.868
   15    H72  MYR   1           2H7      MYR   1   6.862   6.144  -0.155
   16    H81  MYR   1           1H8      MYR   1   5.967   3.743  -1.479
   17    H82  MYR   1           2H8      MYR   1   5.109   5.057  -2.287
   18    H91  MYR   1           1H9      MYR   1   4.934   5.759   0.469
   19    H92  MYR   1           2H9      MYR   1   4.780   4.003   0.493
   20   H101  MYR   1          1H10      MYR   1   3.158   5.608  -1.548
   21   H102  MYR   1          2H10      MYR   1   2.610   5.596   0.121
   22   H111  MYR   1          1H11      MYR   1   3.260   2.873  -1.059
   23   H112  MYR   1          2H11      MYR   1   1.937   3.734  -1.830
   24   H121  MYR   1          1H12      MYR   1   1.117   4.108   0.748
   25   H122  MYR   1          2H12      MYR   1   2.082   2.657   1.017
   26   H131  MYR   1          1H13      MYR   1   0.128   2.648  -1.338
   27   H132  MYR   1          2H13      MYR   1  -0.540   2.520   0.291
   28   H141  MYR   1          3H14      MYR   1  -0.093   0.226  -0.664
   29   H142  MYR   1          1H14      MYR   1   1.631   0.629  -0.880
   30   H143  MYR   1          2H14      MYR   1   0.941   0.508   0.755
   31   H3'1  PBU 300          1H3'      PBU 300  12.724 -10.960   1.623
   32   H3'2  PBU 300          2H3'      PBU 300  11.142 -11.027   0.935
   33    H2'  PBU 300           H2'      PBU 300  11.161  -8.471   1.634
   34   H1'1  PBU 300          1H1'      PBU 300  13.979  -8.667   0.788
   35   H1'2  PBU 300          2H1'      PBU 300  13.198  -7.395   1.596
   36    H1   PBU 300           H1       PBU 300   7.466 -12.027   1.308
   37    H2   PBU 300           H2       PBU 300   7.102 -13.202   3.282
   38    H02  PBU 300           2H0      PBU 300   8.627 -15.395   2.240
   39    H3   PBU 300           H3       PBU 300   5.468 -13.541   1.461
   40    H03  PBU 300           3H0      PBU 300   6.022 -16.008   2.827
   41    H4   PBU 300           H4       PBU 300   7.147 -15.957   0.528
   42    H5   PBU 300           H5       PBU 300   6.579 -13.283  -0.771
   43    H6   PBU 300           H6       PBU 300   9.255 -14.308   0.273
   44    H06  PBU 300           6H0      PBU 300   9.703 -12.874  -1.377
   45    H81  PBU 300           1H8      PBU 300   9.724  -7.309  -0.351
   46    H82  PBU 300           2H8      PBU 300   8.782  -8.575   0.329
   47    H91  PBU 300           1H9      PBU 300   8.619  -8.960  -2.410
   48    H92  PBU 300           2H9      PBU 300   8.438  -7.268  -2.195
   49    H11  PBU 300           H11      PBU 300   6.668  -7.656  -0.556
   50    H12  PBU 300           H12      PBU 300   6.825  -9.349  -0.791
   51    H13  PBU 300           H13      PBU 300   6.265  -8.353  -2.070
   52   H121  PBU 300          1H12      PBU 300  14.638  -9.862   5.016
   53   H122  PBU 300          2H12      PBU 300  16.310  -9.537   4.757
   54   H131  PBU 300          1H13      PBU 300  14.342  -7.354   5.146
   55   H132  PBU 300          2H13      PBU 300  15.132  -8.101   6.476
   56   H141  PBU 300          3H14      PBU 300  16.280  -6.050   5.754
   57   H142  PBU 300          1H14      PBU 300  16.534  -6.755   4.209
   58   H143  PBU 300          2H14      PBU 300  17.303  -7.407   5.594
  Start of MODEL   19
    1    H1   GLY   2           H        GLY   2  11.311  10.927  -2.170
    2    HA2  GLY   2           2HA      GLY   2  12.908  10.890  -0.384
    3    HA3  GLY   2           3HA      GLY   2  11.594  10.560   0.735
    4    H21  MYR   1           1H2      MYR   1   9.204  12.414  -2.431
    5    H22  MYR   1           2H2      MYR   1   7.831  11.795  -1.534
    6    H31  MYR   1           1H3      MYR   1   9.441   9.813  -3.246
    7    H32  MYR   1           2H3      MYR   1   8.418  10.980  -4.087
    8    H41  MYR   1           1H4      MYR   1   6.664   9.543  -3.739
    9    H42  MYR   1           2H4      MYR   1   6.695  10.031  -2.043
   10    H51  MYR   1           1H5      MYR   1   7.266   7.896  -1.447
   11    H52  MYR   1           2H5      MYR   1   8.799   8.074  -2.300
   12    H61  MYR   1           1H6      MYR   1   7.799   7.246  -4.422
   13    H62  MYR   1           2H6      MYR   1   6.178   7.259  -3.723
   14    H71  MYR   1           1H7      MYR   1   8.501   5.511  -2.661
   15    H72  MYR   1           2H7      MYR   1   7.291   4.943  -3.814
   16    H81  MYR   1           1H8      MYR   1   6.582   6.069  -1.021
   17    H82  MYR   1           2H8      MYR   1   6.830   4.351  -1.342
   18    H91  MYR   1           1H9      MYR   1   4.996   5.144  -3.376
   19    H92  MYR   1           2H9      MYR   1   4.474   6.078  -1.976
   20   H101  MYR   1          1H10      MYR   1   4.411   3.962  -0.584
   21   H102  MYR   1          2H10      MYR   1   4.911   3.008  -1.971
   22   H111  MYR   1          1H11      MYR   1   2.787   3.155  -3.007
   23   H112  MYR   1          2H11      MYR   1   2.479   4.764  -2.374
   24   H121  MYR   1          1H12      MYR   1   1.705   3.981  -0.254
   25   H122  MYR   1          2H12      MYR   1   2.530   2.429  -0.396
   26   H131  MYR   1          1H13      MYR   1   0.520   2.885  -2.585
   27   H132  MYR   1          2H13      MYR   1  -0.199   2.903  -0.972
   28   H141  MYR   1          3H14      MYR   1  -0.103   0.557  -2.050
   29   H142  MYR   1          1H14      MYR   1   1.676   0.625  -1.942
   30   H143  MYR   1          2H14      MYR   1   0.691   0.640  -0.461
   31   H3'1  PBU 300          1H3'      PBU 300  12.364 -12.144   1.030
   32   H3'2  PBU 300          2H3'      PBU 300  10.826 -12.324   0.267
   33    H2'  PBU 300           H2'      PBU 300  10.813  -9.735   1.224
   34   H1'1  PBU 300          1H1'      PBU 300  13.357  -9.955  -0.267
   35   H1'2  PBU 300          2H1'      PBU 300  12.793  -8.659   0.674
   36    H1   PBU 300           H1       PBU 300   7.245 -12.498   0.034
   37    H2   PBU 300           H2       PBU 300   6.145 -13.470   1.839
   38    H02  PBU 300           2H0      PBU 300   7.151 -16.037   1.050
   39    H3   PBU 300           H3       PBU 300   4.910 -13.357  -0.297
   40    H03  PBU 300           3H0      PBU 300   4.418 -15.846   1.053
   41    H4   PBU 300           H4       PBU 300   5.970 -16.178  -0.956
   42    H5   PBU 300           H5       PBU 300   6.495 -13.485  -2.233
   43    H6   PBU 300           H6       PBU 300   8.470 -15.226  -0.695
   44    H06  PBU 300           6H0      PBU 300   9.657 -14.023  -2.153
   45    H81  PBU 300           1H8      PBU 300   9.582  -7.973  -0.420
   46    H82  PBU 300           2H8      PBU 300   8.383  -8.871   0.422
   47    H91  PBU 300           1H9      PBU 300   8.142  -8.513  -2.508
   48    H92  PBU 300           2H9      PBU 300   7.622  -7.257  -1.464
   49    H11  PBU 300           H11      PBU 300   6.142  -8.820  -0.306
   50    H12  PBU 300           H12      PBU 300   6.638 -10.073  -1.369
   51    H13  PBU 300           H13      PBU 300   5.756  -8.732  -1.975
   52   H121  PBU 300          1H12      PBU 300  15.694 -11.240   3.475
   53   H122  PBU 300          2H12      PBU 300  14.520 -12.337   2.856
   54   H131  PBU 300          1H13      PBU 300  16.043 -13.518   1.688
   55   H132  PBU 300          2H13      PBU 300  16.999 -12.134   1.332
   56   H141  PBU 300          3H14      PBU 300  18.165 -13.704   2.824
   57   H142  PBU 300          1H14      PBU 300  16.914 -13.503   3.985
   58   H143  PBU 300          2H14      PBU 300  17.944 -12.193   3.586
  Start of MODEL   20
    1    H1   GLY   2           H        GLY   2   7.024  13.603  -3.875
    2    HA2  GLY   2           2HA      GLY   2   5.467  14.654  -1.605
    3    HA3  GLY   2           3HA      GLY   2   6.379  15.752  -2.631
    4    H21  MYR   1           1H2      MYR   1   9.173  12.040  -1.909
    5    H22  MYR   1           2H2      MYR   1   8.427  11.900  -3.488
    6    H31  MYR   1           1H3      MYR   1   8.478   9.655  -2.403
    7    H32  MYR   1           2H3      MYR   1   6.798  10.169  -2.571
    8    H41  MYR   1           1H4      MYR   1   6.560  10.655  -0.226
    9    H42  MYR   1           2H4      MYR   1   8.300  10.820   0.028
   10    H51  MYR   1           1H5      MYR   1   7.441   8.675   1.005
   11    H52  MYR   1           2H5      MYR   1   8.641   8.368  -0.253
   12    H61  MYR   1           1H6      MYR   1   7.138   7.170  -1.508
   13    H62  MYR   1           2H6      MYR   1   5.980   8.503  -1.506
   14    H71  MYR   1           1H7      MYR   1   5.196   7.779   0.825
   15    H72  MYR   1           2H7      MYR   1   6.308   6.410   0.751
   16    H81  MYR   1           1H8      MYR   1   4.084   6.910  -1.341
   17    H82  MYR   1           2H8      MYR   1   3.865   5.893   0.085
   18    H91  MYR   1           1H9      MYR   1   5.823   4.438  -0.680
   19    H92  MYR   1           2H9      MYR   1   5.976   5.429  -2.130
   20   H101  MYR   1          1H10      MYR   1   4.665   3.325  -2.547
   21   H102  MYR   1          2H10      MYR   1   3.734   4.760  -2.942
   22   H111  MYR   1          1H11      MYR   1   2.592   4.559  -0.625
   23   H112  MYR   1          2H11      MYR   1   3.506   3.082  -0.364
   24   H121  MYR   1          1H12      MYR   1   2.426   2.025  -2.407
   25   H122  MYR   1          2H12      MYR   1   1.469   3.486  -2.653
   26   H131  MYR   1          1H13      MYR   1  -0.120   2.588  -1.267
   27   H132  MYR   1          2H13      MYR   1   0.982   2.870   0.083
   28   H141  MYR   1          3H14      MYR   1   0.142   0.288  -1.074
   29   H142  MYR   1          1H14      MYR   1   1.918   0.418  -1.164
   30   H143  MYR   1          2H14      MYR   1   1.089   0.586   0.401
   31   H3'1  PBU 300          1H3'      PBU 300   8.734 -10.990   2.823
   32   H3'2  PBU 300          2H3'      PBU 300   9.879 -10.004   3.658
   33    H2'  PBU 300           H2'      PBU 300  10.691  -9.574   1.615
   34   H1'1  PBU 300          1H1'      PBU 300  11.811 -12.331   1.772
   35   H1'2  PBU 300          2H1'      PBU 300  12.447 -11.049   0.859
   36    H1   PBU 300           H1       PBU 300   7.434 -13.067   0.861
   37    H2   PBU 300           H2       PBU 300   6.831 -14.587   2.515
   38    H02  PBU 300           2H0      PBU 300   8.531 -16.554   1.304
   39    H3   PBU 300           H3       PBU 300   5.468 -14.575   0.456
   40    H03  PBU 300           3H0      PBU 300   5.884 -17.256   1.405
   41    H4   PBU 300           H4       PBU 300   7.310 -16.782  -0.670
   42    H5   PBU 300           H5       PBU 300   6.865 -13.910  -1.516
   43    H6   PBU 300           H6       PBU 300   9.396 -15.122  -0.323
   44    H06  PBU 300           6H0      PBU 300  10.033 -13.408  -1.600
   45    H81  PBU 300           1H8      PBU 300   9.858  -9.001  -0.895
   46    H82  PBU 300           2H8      PBU 300   8.785  -8.251   0.219
   47    H91  PBU 300           1H9      PBU 300   7.716  -9.721  -2.128
   48    H92  PBU 300           2H9      PBU 300   8.207  -8.085  -2.287
   49    H11  PBU 300           H11      PBU 300   6.676  -7.442  -0.494
   50    H12  PBU 300           H12      PBU 300   6.161  -9.072  -0.353
   51    H13  PBU 300           H13      PBU 300   5.830  -8.189  -1.784
   52   H121  PBU 300          1H12      PBU 300  14.103 -10.768   5.023
   53   H122  PBU 300          2H12      PBU 300  15.631 -10.546   4.261
   54   H131  PBU 300          1H13      PBU 300  13.785  -8.331   3.942
   55   H132  PBU 300          2H13      PBU 300  14.315  -8.595   5.555
   56   H141  PBU 300          3H14      PBU 300  15.767  -7.016   4.354
   57   H142  PBU 300          1H14      PBU 300  16.128  -8.244   3.210
   58   H143  PBU 300          2H14      PBU 300  16.642  -8.397   4.837