*HEADER    BLOOD CLOTTING                          14-MAR-07   2JOO              
*TITLE     THE NMR SOLUTION STRUCTURE OF RECOMBINANT RGD-HIRUDIN                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HIRUDIN VARIANT-1;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LEPIRUDIN;                                                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS;                             
*SOURCE   3 ORGANISM_COMMON: MEDICINAL LEECH;                                    
*SOURCE   4 EXPRESSION_SYSTEM: PICHIA PASTORIS                                   
*KEYWDS    MAINLY BETA, BLOOD CLOTTING                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    X.SONG, W.MO, X.LIU, X.YAN, H.SONG, L.DAI                             
*REVDAT   1   18-MAR-08 2JOO    0                                                

assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name   HB) 2.215 0.589 0.589 ! spec=NOESY, no=1, id=0
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name HG22) 3.120 1.168 1.168 ! spec=NOESY, no=2, id=1
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    1 and name HG23)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name HG22) 3.572 1.531 1.531 ! spec=NOESY, no=3, id=2
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name HG21)
    or (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name HG23)
assign (segid "    " and resid    1 and name   HA) (segid "    " and resid    2 and name   HN) 2.264 0.615 0.615 ! spec=NOESY, no=4, id=3
assign (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG12) 2.430 0.708 0.708 ! spec=NOESY, no=5, id=4
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG11)
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG13)
assign (segid "    " and resid    2 and name HG22) (segid "    " and resid    1 and name   HB) 4.777 2.739 2.739 ! spec=NOESY, no=6, id=5
    or (segid "    " and resid    2 and name HG21) (segid "    " and resid    1 and name   HB)
    or (segid "    " and resid    2 and name HG23) (segid "    " and resid    1 and name   HB)
assign (segid "    " and resid    1 and name HG22) (segid "    " and resid    1 and name   HB) 2.438 0.713 0.713 ! spec=NOESY, no=7, id=6
    or (segid "    " and resid    1 and name HG21) (segid "    " and resid    1 and name   HB)
    or (segid "    " and resid    1 and name HG23) (segid "    " and resid    1 and name   HB)
assign (segid "    " and resid    1 and name HG22) (segid "    " and resid    3 and name  HD1) 4.576 2.513 2.513 ! spec=NOESY, no=8, id=7
    or (segid "    " and resid    1 and name HG22) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    1 and name HG21) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    1 and name HG21) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    1 and name HG23) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    1 and name HG23) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    1 and name HG22) (segid "    " and resid    3 and name  HE1) 4.576 2.513 2.513 ! spec=NOESY, no=9, id=8
    or (segid "    " and resid    1 and name HG22) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    1 and name HG21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    1 and name HG21) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    1 and name HG23) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    1 and name HG23) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    1 and name HG12) (segid "    " and resid    1 and name   HA) 2.782 0.928 0.928 ! spec=NOESY, no=10, id=9
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    1 and name   HA)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    1 and name   HA)
assign (segid "    " and resid    1 and name HG12) (segid "    " and resid    2 and name   HB) 4.857 2.831 2.831 ! spec=NOESY, no=12, id=11
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    2 and name   HB)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    2 and name   HB)
assign (segid "    " and resid    1 and name HG12) (segid "    " and resid    3 and name  HD1) 4.576 2.513 2.513 ! spec=NOESY, no=13, id=12
    or (segid "    " and resid    1 and name HG12) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    1 and name HG12) (segid "    " and resid    3 and name  HE1) 4.576 2.513 2.513 ! spec=NOESY, no=14, id=13
    or (segid "    " and resid    1 and name HG12) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    1 and name HG11) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid    1 and name HG13) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HB) 2.442 0.715 0.715 ! spec=NOESY, no=15, id=14
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG22) 3.096 1.150 1.150 ! spec=NOESY, no=16, id=15
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG21)
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG23)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG12) 3.175 1.209 1.209 ! spec=NOESY, no=17, id=16
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG11)
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name HG13)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    2 and name   HN) 2.458 0.725 0.725 ! spec=NOESY, no=18, id=17
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD1) 4.603 2.542 2.542 ! spec=NOESY, no=19, id=18
    or (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    3 and name   HN) 2.273 0.620 0.620 ! spec=NOESY, no=20, id=19
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name HG12) 2.422 0.704 0.704 ! spec=NOESY, no=21, id=20
    or (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name HG11)
    or (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name HG13)
assign (segid "    " and resid    2 and name   HB) (segid "    " and resid    2 and name   HN) 2.426 0.706 0.706 ! spec=NOESY, no=22, id=21
assign (segid "    " and resid    2 and name HG22) (segid "    " and resid    2 and name   HB) 2.497 0.748 0.748 ! spec=NOESY, no=23, id=22
    or (segid "    " and resid    2 and name HG21) (segid "    " and resid    2 and name   HB)
    or (segid "    " and resid    2 and name HG23) (segid "    " and resid    2 and name   HB)
assign (segid "    " and resid    2 and name HG22) (segid "    " and resid    2 and name   HN) 3.539 1.503 1.503 ! spec=NOESY, no=24, id=23
    or (segid "    " and resid    2 and name HG21) (segid "    " and resid    2 and name   HN)
    or (segid "    " and resid    2 and name HG23) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid    2 and name HG12) (segid "    " and resid    2 and name   HN) 3.572 1.531 1.531 ! spec=NOESY, no=25, id=24
    or (segid "    " and resid    2 and name HG11) (segid "    " and resid    2 and name   HN)
    or (segid "    " and resid    2 and name HG13) (segid "    " and resid    2 and name   HN)
assign (segid "    " and resid    2 and name HG12) (segid "    " and resid    3 and name  HB1) 4.809 2.775 2.775 ! spec=NOESY, no=26, id=25
    or (segid "    " and resid    2 and name HG11) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid    2 and name HG13) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name HG22) 4.024 1.943 1.943 ! spec=NOESY, no=27, id=26
    or (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name HG23)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    1 and name   HA) 4.656 2.602 2.602 ! spec=NOESY, no=28, id=27
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    1 and name HG12) 5.083 3.101 3.101 ! spec=NOESY, no=29, id=28
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    1 and name HG11)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    1 and name HG13)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB1) 2.286 0.627 0.627 ! spec=NOESY, no=30, id=29
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HB2) 2.738 0.900 0.900 ! spec=NOESY, no=31, id=30
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD1) 2.978 1.064 1.064 ! spec=NOESY, no=32, id=31
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HE1) 3.827 1.758 1.758 ! spec=NOESY, no=33, id=32
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.434 0.711 0.711 ! spec=NOESY, no=34, id=33
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name HG21) 5.186 3.227 3.227 ! spec=NOESY, no=35, id=34
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name HG23)
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    4 and name   HN) 2.321 0.646 0.646 ! spec=NOESY, no=36, id=35
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   15 and name   HG) 4.505 2.435 2.435 ! spec=NOESY, no=37, id=36
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HB2) 2.201 0.582 0.582 ! spec=NOESY, no=38, id=37
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD1) 2.944 1.040 1.040 ! spec=NOESY, no=39, id=38
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE1) 3.786 1.720 1.720 ! spec=NOESY, no=40, id=39
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.960 1.052 1.052 ! spec=NOESY, no=41, id=40
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    4 and name   HN) 2.049 0.504 0.504 ! spec=NOESY, no=42, id=41
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   14 and name  HB1) 3.555 1.517 1.517 ! spec=NOESY, no=43, id=42
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   15 and name   HN) 3.561 1.521 1.521 ! spec=NOESY, no=45, id=44
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD1) 3.027 1.100 1.100 ! spec=NOESY, no=46, id=45
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE1) 3.883 1.810 1.810 ! spec=NOESY, no=47, id=46
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HN) 2.971 1.059 1.059 ! spec=NOESY, no=48, id=47
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 2.737 0.899 0.899 ! spec=NOESY, no=49, id=48
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    3 and name   HN) 3.566 1.526 1.526 ! spec=NOESY, no=51, id=50
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name HG21) 5.057 3.068 3.068 ! spec=NOESY, no=52, id=51
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name HG23)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name HG21)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name HG23)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid    4 and name   HN) 5.202 3.247 3.247 ! spec=NOESY, no=53, id=52
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    3 and name  HD1) (segid "    " and resid   13 and name HD22) 5.057 3.068 3.068 ! spec=NOESY, no=54, id=53
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   13 and name HD21)
    or (segid "    " and resid    3 and name  HD1) (segid "    " and resid   13 and name HD23)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   13 and name HD22)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   13 and name HD21)
    or (segid "    " and resid    3 and name  HD2) (segid "    " and resid   13 and name HD23)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    1 and name   HB) 4.110 2.027 2.027 ! spec=NOESY, no=56, id=55
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    1 and name   HB)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    2 and name   HA) 4.583 2.520 2.520 ! spec=NOESY, no=58, id=57
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    2 and name   HA)
assign (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD1) 5.243 3.299 3.299 ! spec=NOESY, no=59, id=58
    or (segid "    " and resid    3 and name  HE1) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid    3 and name  HE2) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name HG12) 3.550 1.512 1.512 ! spec=NOESY, no=60, id=59
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name HG11)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name HG13)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD22) 3.584 1.541 1.541 ! spec=NOESY, no=62, id=61
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name HG21) 2.422 0.704 0.704 ! spec=NOESY, no=64, id=63
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name HG23)
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.271 0.619 0.619 ! spec=NOESY, no=65, id=64
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 2.291 0.630 0.630 ! spec=NOESY, no=66, id=65
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   15 and name  HB2) 4.380 2.302 2.302 ! spec=NOESY, no=67, id=66
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid   15 and name HD12) 3.523 1.489 1.489 ! spec=NOESY, no=68, id=67
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid    4 and name   HA) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid    4 and name   HB) (segid "    " and resid    4 and name   HA) 2.379 0.679 0.679 ! spec=NOESY, no=69, id=68
assign (segid "    " and resid    4 and name   HB) (segid "    " and resid    5 and name   HN) 2.058 0.508 0.508 ! spec=NOESY, no=70, id=69
assign (segid "    " and resid    4 and name HG21) (segid "    " and resid    4 and name   HB) 2.535 0.771 0.771 ! spec=NOESY, no=71, id=70
    or (segid "    " and resid    4 and name HG22) (segid "    " and resid    4 and name   HB)
    or (segid "    " and resid    4 and name HG23) (segid "    " and resid    4 and name   HB)
assign (segid "    " and resid    4 and name HG21) (segid "    " and resid    4 and name   HN) 3.172 1.208 1.208 ! spec=NOESY, no=72, id=71
    or (segid "    " and resid    4 and name HG22) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid    4 and name HG23) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name   HN) 4.872 2.848 2.848 ! spec=NOESY, no=73, id=72
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name   HB) 3.175 1.209 1.209 ! spec=NOESY, no=74, id=73
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    5 and name   HN) 3.292 1.301 1.301 ! spec=NOESY, no=75, id=74
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    4 and name   HN) 3.406 1.392 1.392 ! spec=NOESY, no=76, id=75
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB2) 2.415 0.700 0.700 ! spec=NOESY, no=77, id=76
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.426 0.706 0.706 ! spec=NOESY, no=78, id=77
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    6 and name   HN) 2.088 0.523 0.523 ! spec=NOESY, no=79, id=78
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   14 and name  HB2) 3.035 1.105 1.105 ! spec=NOESY, no=80, id=79
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name  HB2) 2.926 1.027 1.027 ! spec=NOESY, no=81, id=80
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name  HB1) 3.394 1.382 1.382 ! spec=NOESY, no=82, id=81
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD12) 3.237 1.257 1.257 ! spec=NOESY, no=84, id=83
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD22) 4.099 2.016 2.016 ! spec=NOESY, no=85, id=84
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name   HG) 2.446 0.718 0.718 ! spec=NOESY, no=86, id=85
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   15 and name   HN) 2.759 0.914 0.914 ! spec=NOESY, no=87, id=86
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   21 and name   HA) 4.239 2.156 2.156 ! spec=NOESY, no=88, id=87
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.456 0.724 0.724 ! spec=NOESY, no=89, id=88
    or (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name HG21) 3.450 1.428 1.428 ! spec=NOESY, no=90, id=89
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name HG23)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid   15 and name HD12) 4.096 2.013 2.013 ! spec=NOESY, no=91, id=90
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid   15 and name   HG) 3.027 1.100 1.100 ! spec=NOESY, no=92, id=91
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    5 and name  HB2) 4.012 1.932 1.932 ! spec=NOESY, no=93, id=92
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB1) 2.493 0.746 0.746 ! spec=NOESY, no=94, id=93
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name  HB2) 2.520 0.762 0.762 ! spec=NOESY, no=95, id=94
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    6 and name   HN) 2.487 0.742 0.742 ! spec=NOESY, no=96, id=95
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG21) 4.415 2.339 2.339 ! spec=NOESY, no=97, id=96
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG23)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name   HN) 2.404 0.693 0.693 ! spec=NOESY, no=98, id=97
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    8 and name   HN) 3.010 1.087 1.087 ! spec=NOESY, no=99, id=98
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   14 and name  HB2) 2.463 0.728 0.728 ! spec=NOESY, no=100, id=99
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   14 and name  HB1) 2.912 1.018 1.018 ! spec=NOESY, no=101, id=100
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD12) 4.617 2.558 2.558 ! spec=NOESY, no=102, id=101
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   47 and name  HD1) 3.220 1.244 1.244 ! spec=NOESY, no=103, id=102
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid   47 and name  HD2) 2.711 0.882 0.882 ! spec=NOESY, no=104, id=103
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HN) 2.954 1.047 1.047 ! spec=NOESY, no=105, id=104
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN) 2.418 0.702 0.702 ! spec=NOESY, no=106, id=105
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    8 and name  HG2) 5.083 3.101 3.101 ! spec=NOESY, no=107, id=106
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    8 and name   HN) 2.638 0.835 0.835 ! spec=NOESY, no=108, id=107
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid   11 and name   HN) 3.612 1.565 1.565 ! spec=NOESY, no=109, id=108
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    5 and name  HB2) 4.375 2.297 2.297 ! spec=NOESY, no=111, id=110
    or (segid "    " and resid    6 and name  HB2) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HB1) 2.065 0.512 0.512 ! spec=NOESY, no=112, id=111
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HN) 2.520 0.762 0.762 ! spec=NOESY, no=113, id=112
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name   HN) 2.889 1.002 1.002 ! spec=NOESY, no=114, id=113
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid   12 and name  HB2) 5.543 3.687 3.687 ! spec=NOESY, no=115, id=114
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB2) 2.987 1.071 1.071 ! spec=NOESY, no=118, id=117
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    8 and name   HN) 4.138 2.055 2.055 ! spec=NOESY, no=119, id=118
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    5 and name   HN) 4.652 2.597 2.597 ! spec=NOESY, no=120, id=119
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HG21) 3.386 1.376 1.376 ! spec=NOESY, no=121, id=120
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HG22)
    or (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name HG23)
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.389 0.685 0.685 ! spec=NOESY, no=122, id=121
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    8 and name   HN) 2.752 0.909 0.909 ! spec=NOESY, no=123, id=122
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    9 and name   HN) 4.361 2.282 2.282 ! spec=NOESY, no=124, id=123
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   14 and name  HB2) 4.631 2.573 2.573 ! spec=NOESY, no=125, id=124
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   47 and name  HE2) 4.142 2.058 2.058 ! spec=NOESY, no=126, id=125
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    6 and name  HB1) 3.809 1.741 1.741 ! spec=NOESY, no=127, id=126
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    7 and name   HA) 2.434 0.711 0.711 ! spec=NOESY, no=128, id=127
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    7 and name   HN) 2.537 0.772 0.772 ! spec=NOESY, no=129, id=128
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    8 and name  HB2) 3.909 1.833 1.833 ! spec=NOESY, no=130, id=129
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid    8 and name   HN) 2.948 1.043 1.043 ! spec=NOESY, no=131, id=130
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid   11 and name  HG1) 5.012 3.014 3.014 ! spec=NOESY, no=132, id=131
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid   11 and name HE21) 3.478 1.451 1.451 ! spec=NOESY, no=133, id=132
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD12) 4.818 2.786 2.786 ! spec=NOESY, no=134, id=133
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid    7 and name HG21) (segid "    " and resid    5 and name  HB2) 5.057 3.068 3.068 ! spec=NOESY, no=135, id=134
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    7 and name HG21) (segid "    " and resid    6 and name  HB1) 4.638 2.581 2.581 ! spec=NOESY, no=136, id=135
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid    6 and name  HB1)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid    6 and name  HB1)
assign (segid "    " and resid    7 and name HG21) (segid "    " and resid    7 and name   HN) 3.517 1.485 1.485 ! spec=NOESY, no=137, id=136
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    7 and name HG21) (segid "    " and resid   47 and name  HE1) 4.278 2.196 2.196 ! spec=NOESY, no=138, id=137
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   47 and name  HE1)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   47 and name  HE1)
assign (segid "    " and resid    7 and name HG21) (segid "    " and resid   47 and name  HE2) 3.841 1.771 1.771 ! spec=NOESY, no=139, id=138
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   47 and name  HE2)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   47 and name  HE2)
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HN) 3.647 1.596 1.596 ! spec=NOESY, no=140, id=139
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    8 and name   HN) 2.030 0.494 0.494 ! spec=NOESY, no=141, id=140
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name  HB2) 3.367 1.360 1.360 ! spec=NOESY, no=143, id=142
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name HE21) 2.347 0.661 0.661 ! spec=NOESY, no=146, id=145
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name HE22) 2.976 1.063 1.063 ! spec=NOESY, no=147, id=146
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   47 and name  HD1) 3.482 1.455 1.455 ! spec=NOESY, no=148, id=147
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   47 and name  HD2) 3.309 1.314 1.314 ! spec=NOESY, no=149, id=148
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   47 and name  HE1) 4.096 2.013 2.013 ! spec=NOESY, no=150, id=149
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   47 and name  HE2) 2.987 1.071 1.071 ! spec=NOESY, no=151, id=150
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   47 and name  HG2) 3.906 1.830 1.830 ! spec=NOESY, no=152, id=151
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HB2) 2.467 0.730 0.730 ! spec=NOESY, no=153, id=152
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.565 0.790 0.790 ! spec=NOESY, no=154, id=153
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    9 and name   HN) 2.407 0.695 0.695 ! spec=NOESY, no=155, id=154
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2) 1.852 0.412 0.412 ! spec=NOESY, no=156, id=155
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN) 2.979 1.065 1.065 ! spec=NOESY, no=157, id=156
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name  HG2) 3.692 1.636 1.636 ! spec=NOESY, no=158, id=157
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name   HN) 3.685 1.630 1.630 ! spec=NOESY, no=160, id=159
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name HE21) 3.367 1.360 1.360 ! spec=NOESY, no=161, id=160
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.784 0.930 0.930 ! spec=NOESY, no=163, id=162
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name  HG2) 3.487 1.459 1.459 ! spec=NOESY, no=164, id=163
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name   HN) 3.578 1.536 1.536 ! spec=NOESY, no=165, id=164
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name HE21) 3.237 1.257 1.257 ! spec=NOESY, no=166, id=165
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HA) 2.984 1.069 1.069 ! spec=NOESY, no=168, id=167
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid    8 and name   HN) 3.555 1.517 1.517 ! spec=NOESY, no=169, id=168
assign (segid "    " and resid    8 and name  HG1) (segid "    " and resid   11 and name HE22) 3.999 1.919 1.919 ! spec=NOESY, no=170, id=169
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HA) 3.001 1.081 1.081 ! spec=NOESY, no=171, id=170
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid    8 and name   HN) 3.309 1.314 1.314 ! spec=NOESY, no=172, id=171
assign (segid "    " and resid    8 and name  HG2) (segid "    " and resid   11 and name HE22) 3.988 1.908 1.908 ! spec=NOESY, no=173, id=172
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    9 and name   HN) 3.341 1.339 1.339 ! spec=NOESY, no=174, id=173
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   30 and name   HN) 4.161 2.078 2.078 ! spec=NOESY, no=176, id=175
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    8 and name  HB1) 4.010 1.929 1.929 ! spec=NOESY, no=177, id=176
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB1) 2.350 0.663 0.663 ! spec=NOESY, no=178, id=177
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB2) 2.400 0.691 0.691 ! spec=NOESY, no=179, id=178
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.353 0.665 0.665 ! spec=NOESY, no=180, id=179
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.335 0.654 0.654 ! spec=NOESY, no=181, id=180
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   11 and name   HN) 2.741 0.901 0.901 ! spec=NOESY, no=182, id=181
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name   HA) 2.540 0.774 0.774 ! spec=NOESY, no=183, id=182
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HG22) 3.450 1.428 1.428 ! spec=NOESY, no=185, id=184
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name  HB2) 3.539 1.503 1.503 ! spec=NOESY, no=186, id=185
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name   HN) 2.091 0.525 0.525 ! spec=NOESY, no=189, id=188
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name  HB2) 2.628 0.829 0.829 ! spec=NOESY, no=190, id=189
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid    9 and name   HN) 2.944 1.040 1.040 ! spec=NOESY, no=191, id=190
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   10 and name   HN) 2.704 0.878 0.878 ! spec=NOESY, no=192, id=191
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name   HA) 2.605 0.815 0.815 ! spec=NOESY, no=193, id=192
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HD12) 4.135 2.052 2.052 ! spec=NOESY, no=194, id=193
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HG22) 3.306 1.311 1.311 ! spec=NOESY, no=195, id=194
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid    9 and name  HB1) (segid "    " and resid   30 and name   HN) 2.890 1.003 1.003 ! spec=NOESY, no=196, id=195
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HN) 2.716 0.885 0.885 ! spec=NOESY, no=197, id=196
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   10 and name   HN) 3.175 1.209 1.209 ! spec=NOESY, no=198, id=197
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   29 and name HG22) 4.129 2.046 2.046 ! spec=NOESY, no=199, id=198
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name  HB2) 4.329 2.249 2.249 ! spec=NOESY, no=200, id=199
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD12) 4.842 2.814 2.814 ! spec=NOESY, no=201, id=200
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB2) 3.309 1.314 1.314 ! spec=NOESY, no=202, id=201
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 3.423 1.406 1.406 ! spec=NOESY, no=203, id=202
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   11 and name   HN) 3.523 1.489 1.489 ! spec=NOESY, no=204, id=203
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   30 and name   HN) 3.309 1.314 1.314 ! spec=NOESY, no=205, id=204
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid    8 and name   HN) 4.988 2.985 2.985 ! spec=NOESY, no=206, id=205
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid    9 and name   HN) 4.111 2.029 2.029 ! spec=NOESY, no=207, id=206
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   10 and name  HA1) 2.130 0.545 0.545 ! spec=NOESY, no=208, id=207
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   10 and name   HN) 2.312 0.642 0.642 ! spec=NOESY, no=209, id=208
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   11 and name   HN) 2.459 0.725 0.725 ! spec=NOESY, no=210, id=209
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   12 and name   HN) 4.593 2.531 2.531 ! spec=NOESY, no=211, id=210
assign (segid "    " and resid   10 and name  HA2) (segid "    " and resid   43 and name   HN) 4.400 2.323 2.323 ! spec=NOESY, no=212, id=211
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid    8 and name   HN) 4.760 2.719 2.719 ! spec=NOESY, no=213, id=212
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   10 and name   HN) 2.418 0.702 0.702 ! spec=NOESY, no=214, id=213
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   11 and name   HN) 3.148 1.189 1.189 ! spec=NOESY, no=215, id=214
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HB2) 4.193 2.109 2.109 ! spec=NOESY, no=216, id=215
    or (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HB1)
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HD1) 3.463 1.439 1.439 ! spec=NOESY, no=217, id=216
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HD2) 3.309 1.314 1.314 ! spec=NOESY, no=218, id=217
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HG1) 3.351 1.348 1.348 ! spec=NOESY, no=219, id=218
assign (segid "    " and resid   10 and name  HA1) (segid "    " and resid   27 and name  HG2) 3.492 1.463 1.463 ! spec=NOESY, no=220, id=219
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   27 and name  HB2) 4.415 2.339 2.339 ! spec=NOESY, no=222, id=221
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   27 and name  HB1)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   27 and name  HG1) 3.394 1.382 1.382 ! spec=NOESY, no=223, id=222
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   27 and name  HG2) 3.801 1.733 1.733 ! spec=NOESY, no=224, id=223
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   29 and name   HN) 3.482 1.455 1.455 ! spec=NOESY, no=225, id=224
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid    9 and name  HB1) 5.031 3.037 3.037 ! spec=NOESY, no=226, id=225
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB1) 2.422 0.704 0.704 ! spec=NOESY, no=227, id=226
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.784 0.930 0.930 ! spec=NOESY, no=228, id=227
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 2.156 0.558 0.558 ! spec=NOESY, no=229, id=228
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   27 and name  HG1) 4.380 2.302 2.302 ! spec=NOESY, no=230, id=229
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   44 and name  HA2) 3.478 1.451 1.451 ! spec=NOESY, no=231, id=230
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name   HB) 2.531 0.769 0.769 ! spec=NOESY, no=232, id=231
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name HG21) 4.452 2.378 2.378 ! spec=NOESY, no=233, id=232
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name HG22)
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name HG23)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   45 and name   HN) 2.448 0.719 0.719 ! spec=NOESY, no=234, id=233
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   46 and name   HA) 3.780 1.715 1.715 ! spec=NOESY, no=235, id=234
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   11 and name  HB2) 3.309 1.314 1.314 ! spec=NOESY, no=236, id=235
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 2.538 0.773 0.773 ! spec=NOESY, no=237, id=236
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HB1) 1.743 0.365 0.365 ! spec=NOESY, no=238, id=237
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.430 0.708 0.708 ! spec=NOESY, no=239, id=238
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 2.041 0.500 0.500 ! spec=NOESY, no=240, id=239
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name   HN) 3.011 1.088 1.088 ! spec=NOESY, no=241, id=240
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    6 and name  HB1) 3.337 1.336 1.336 ! spec=NOESY, no=242, id=241
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid   11 and name  HB1) 3.330 1.330 1.330 ! spec=NOESY, no=243, id=242
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HN) 3.512 1.480 1.480 ! spec=NOESY, no=244, id=243
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name  HG2) 2.356 0.666 0.666 ! spec=NOESY, no=245, id=244
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.765 0.917 0.917 ! spec=NOESY, no=246, id=245
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name HE21) 3.155 1.194 1.194 ! spec=NOESY, no=247, id=246
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   22 and name  HB2) 4.412 2.336 2.336 ! spec=NOESY, no=249, id=248
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid    8 and name   HN) 3.351 1.348 1.348 ! spec=NOESY, no=251, id=250
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HA) 2.711 0.882 0.882 ! spec=NOESY, no=252, id=251
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HN) 3.423 1.406 1.406 ! spec=NOESY, no=253, id=252
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name HE21) 2.486 0.741 0.741 ! spec=NOESY, no=254, id=253
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name HE22) 2.683 0.864 0.864 ! spec=NOESY, no=255, id=254
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   12 and name   HN) 2.876 0.993 0.993 ! spec=NOESY, no=256, id=255
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   45 and name   HN) 3.478 1.451 1.451 ! spec=NOESY, no=257, id=256
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   47 and name  HD2) 4.172 2.088 2.088 ! spec=NOESY, no=259, id=258
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   47 and name   HN) 3.195 1.225 1.225 ! spec=NOESY, no=260, id=259
assign (segid "    " and resid   11 and name  HG1) (segid "    " and resid    9 and name   HN) 4.600 2.539 2.539 ! spec=NOESY, no=261, id=260
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   11 and name   HN) 1.818 0.397 0.397 ! spec=NOESY, no=262, id=261
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   12 and name   HN) 3.351 1.348 1.348 ! spec=NOESY, no=263, id=262
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   28 and name   HN) 4.511 2.442 2.442 ! spec=NOESY, no=264, id=263
assign (segid "    " and resid   11 and name HE21) (segid "    " and resid    8 and name   HN) 2.743 0.903 0.903 ! spec=NOESY, no=266, id=265
assign (segid "    " and resid   11 and name HE21) (segid "    " and resid   47 and name  HE1) 4.077 1.995 1.995 ! spec=NOESY, no=267, id=266
assign (segid "    " and resid   11 and name HE22) (segid "    " and resid    7 and name HG21) 4.096 2.013 2.013 ! spec=NOESY, no=269, id=268
    or (segid "    " and resid   11 and name HE22) (segid "    " and resid    7 and name HG22)
    or (segid "    " and resid   11 and name HE22) (segid "    " and resid    7 and name HG23)
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   11 and name HE22) 3.003 1.082 1.082 ! spec=NOESY, no=271, id=270
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   11 and name HE22) 2.686 0.866 0.866 ! spec=NOESY, no=272, id=271
assign (segid "    " and resid   11 and name HE22) (segid "    " and resid    8 and name   HN) 3.010 1.087 1.087 ! spec=NOESY, no=273, id=272
assign (segid "    " and resid   11 and name HE22) (segid "    " and resid   11 and name HE21) 1.951 0.457 0.457 ! spec=NOESY, no=274, id=273
assign (segid "    " and resid   11 and name HE22) (segid "    " and resid   47 and name  HG2) 3.015 1.091 1.091 ! spec=NOESY, no=275, id=274
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB1) 2.379 0.679 0.679 ! spec=NOESY, no=276, id=275
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.105 0.532 0.532 ! spec=NOESY, no=277, id=276
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.805 0.944 0.944 ! spec=NOESY, no=278, id=277
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   13 and name   HN) 2.662 0.850 0.850 ! spec=NOESY, no=279, id=278
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   14 and name   HN) 2.999 1.079 1.079 ! spec=NOESY, no=280, id=279
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   24 and name   HA) 4.387 2.310 2.310 ! spec=NOESY, no=281, id=280
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   26 and name  HB2) 3.544 1.507 1.507 ! spec=NOESY, no=282, id=281
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   28 and name   HN) 4.446 2.372 2.372 ! spec=NOESY, no=283, id=282
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name  HB2) 2.138 0.549 0.549 ! spec=NOESY, no=284, id=283
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN) 2.745 0.904 0.904 ! spec=NOESY, no=285, id=284
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name HD21) 2.254 0.610 0.610 ! spec=NOESY, no=286, id=285
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name HD22) 2.859 0.981 0.981 ! spec=NOESY, no=287, id=286
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HN) 2.861 0.982 0.982 ! spec=NOESY, no=288, id=287
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   27 and name   HA) 3.829 1.759 1.759 ! spec=NOESY, no=289, id=288
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name   HN) 3.092 1.147 1.147 ! spec=NOESY, no=290, id=289
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name HD21) 2.732 0.895 0.895 ! spec=NOESY, no=291, id=290
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   12 and name HD22) 2.979 1.065 1.065 ! spec=NOESY, no=292, id=291
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   13 and name   HN) 2.353 0.665 0.665 ! spec=NOESY, no=293, id=292
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   23 and name   HN) 2.637 0.834 0.834 ! spec=NOESY, no=294, id=293
assign (segid "    " and resid   12 and name  HB2) (segid "    " and resid   27 and name   HA) 3.355 1.351 1.351 ! spec=NOESY, no=295, id=294
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   10 and name   HN) 4.354 2.275 2.275 ! spec=NOESY, no=296, id=295
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   12 and name   HN) 2.201 0.582 0.582 ! spec=NOESY, no=297, id=296
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   46 and name   HA) 3.124 1.171 1.171 ! spec=NOESY, no=299, id=298
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   47 and name  HD1) 4.471 2.398 2.398 ! spec=NOESY, no=300, id=299
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   47 and name  HD2) 4.617 2.558 2.558 ! spec=NOESY, no=301, id=300
assign (segid "    " and resid   12 and name HD21) (segid "    " and resid   43 and name   HA) 3.512 1.480 1.480 ! spec=NOESY, no=306, id=305
assign (segid "    " and resid   12 and name HD21) (segid "    " and resid   45 and name   HN) 3.487 1.459 1.459 ! spec=NOESY, no=307, id=306
assign (segid "    " and resid   12 and name HD21) (segid "    " and resid   12 and name HD22) 1.954 0.458 0.458 ! spec=NOESY, no=308, id=307
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    3 and name  HD1) 4.260 2.178 2.178 ! spec=NOESY, no=313, id=312
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 2.341 0.658 0.658 ! spec=NOESY, no=315, id=314
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.434 0.711 0.711 ! spec=NOESY, no=317, id=316
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   15 and name   HN) 4.246 2.164 2.164 ! spec=NOESY, no=318, id=317
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG12) 4.004 1.924 1.924 ! spec=NOESY, no=319, id=318
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG11)
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG13)
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   13 and name   HA) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid    3 and name  HE1) 3.539 1.503 1.503 ! spec=NOESY, no=322, id=321
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid    3 and name  HE1) 4.606 2.546 2.546 ! spec=NOESY, no=323, id=322
    or (segid "    " and resid   13 and name  HB2) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   11 and name  HG2) 4.560 2.495 2.495 ! spec=NOESY, no=324, id=323
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   11 and name  HG2)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.699 0.874 0.874 ! spec=NOESY, no=325, id=324
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HN) 2.989 1.072 1.072 ! spec=NOESY, no=326, id=325
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 3.348 1.345 1.345 ! spec=NOESY, no=327, id=326
    or (segid "    " and resid   13 and name  HB1) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid    3 and name  HE1) 4.352 2.273 2.273 ! spec=NOESY, no=328, id=327
    or (segid "    " and resid   13 and name HD22) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   12 and name HD22) (segid "    " and resid   13 and name HD22) 4.560 2.495 2.495 ! spec=NOESY, no=329, id=328
    or (segid "    " and resid   12 and name HD22) (segid "    " and resid   13 and name HD21)
    or (segid "    " and resid   12 and name HD22) (segid "    " and resid   13 and name HD23)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   13 and name   HA) 3.459 1.436 1.436 ! spec=NOESY, no=330, id=329
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   13 and name   HA)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   13 and name   HA)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   13 and name  HB2) 3.129 1.175 1.175 ! spec=NOESY, no=331, id=330
    or (segid "    " and resid   13 and name HD22) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   13 and name   HG) 2.254 0.610 0.610 ! spec=NOESY, no=332, id=331
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   13 and name   HG)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   13 and name   HG)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   13 and name   HN) 3.337 1.336 1.336 ! spec=NOESY, no=333, id=332
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   23 and name  HA2) 4.573 2.509 2.509 ! spec=NOESY, no=334, id=333
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   23 and name  HA2)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   23 and name  HA1) 3.768 1.704 1.704 ! spec=NOESY, no=335, id=334
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   23 and name  HA1)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   24 and name   HA) 4.773 2.734 2.734 ! spec=NOESY, no=336, id=335
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   24 and name  HG2) 4.620 2.562 2.562 ! spec=NOESY, no=337, id=336
    or (segid "    " and resid   13 and name HD22) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   24 and name   HN) 3.720 1.661 1.661 ! spec=NOESY, no=338, id=337
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   24 and name   HN)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   24 and name HE22) 4.773 2.734 2.734 ! spec=NOESY, no=339, id=338
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   24 and name HE22)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   24 and name HE22)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   46 and name   HA) 4.116 2.033 2.033 ! spec=NOESY, no=340, id=339
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   46 and name   HA)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   46 and name   HA)
assign (segid "    " and resid   13 and name HD22) (segid "    " and resid   46 and name  HB2) 5.070 3.085 3.085 ! spec=NOESY, no=342, id=340
    or (segid "    " and resid   13 and name HD21) (segid "    " and resid   46 and name  HB2)
    or (segid "    " and resid   13 and name HD23) (segid "    " and resid   46 and name  HB2)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   12 and name HD22) 4.560 2.495 2.495 ! spec=NOESY, no=344, id=342
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   12 and name HD22)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   12 and name HD22)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   13 and name   HA) 3.415 1.399 1.399 ! spec=NOESY, no=345, id=343
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   13 and name   HA)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   13 and name   HA)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   13 and name  HB2) 3.555 1.517 1.517 ! spec=NOESY, no=346, id=344
    or (segid "    " and resid   13 and name HD12) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   13 and name   HN) 3.044 1.112 1.112 ! spec=NOESY, no=347, id=345
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   14 and name   HN) 4.554 2.488 2.488 ! spec=NOESY, no=348, id=346
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   23 and name  HA2) 4.596 2.535 2.535 ! spec=NOESY, no=349, id=347
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   23 and name  HA2)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   23 and name  HA1) 5.940 4.234 4.234 ! spec=NOESY, no=350, id=348
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   23 and name  HA1)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name   HA) 4.274 2.192 2.192 ! spec=NOESY, no=351, id=349
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name   HA)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name  HB2) 4.627 2.569 2.569 ! spec=NOESY, no=352, id=350
    or (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name  HB1)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name  HG2) 3.959 1.881 1.881 ! spec=NOESY, no=353, id=351
    or (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   24 and name HE22) 4.773 2.734 2.734 ! spec=NOESY, no=355, id=353
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   24 and name HE22)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   24 and name HE22)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   46 and name   HA) 4.108 2.025 2.025 ! spec=NOESY, no=356, id=354
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   46 and name   HA)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   46 and name   HA)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   46 and name  HB1) 4.098 2.015 2.015 ! spec=NOESY, no=357, id=355
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   46 and name  HB1)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   46 and name  HB1)
assign (segid "    " and resid   13 and name HD12) (segid "    " and resid   46 and name  HB2) 4.163 2.080 2.080 ! spec=NOESY, no=358, id=356
    or (segid "    " and resid   13 and name HD11) (segid "    " and resid   46 and name  HB2)
    or (segid "    " and resid   13 and name HD13) (segid "    " and resid   46 and name  HB2)
assign (segid "    " and resid   12 and name HD22) (segid "    " and resid   13 and name   HG) 3.885 1.812 1.812 ! spec=NOESY, no=361, id=359
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HG) 2.366 0.672 0.672 ! spec=NOESY, no=362, id=360
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name  HB2) 2.278 0.623 0.623 ! spec=NOESY, no=363, id=361
    or (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name HD12) 2.188 0.575 0.575 ! spec=NOESY, no=364, id=362
    or (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name HD11)
    or (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name HD13)
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   13 and name   HN) 1.960 0.461 0.461 ! spec=NOESY, no=365, id=363
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   14 and name   HN) 3.693 1.636 1.636 ! spec=NOESY, no=366, id=364
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   24 and name   HA) 4.075 1.993 1.993 ! spec=NOESY, no=367, id=365
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   24 and name  HG2) 4.055 1.974 1.974 ! spec=NOESY, no=368, id=366
    or (segid "    " and resid   13 and name   HG) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   46 and name   HA) 3.602 1.557 1.557 ! spec=NOESY, no=369, id=367
assign (segid "    " and resid   13 and name   HG) (segid "    " and resid   46 and name  HB1) 5.235 3.288 3.288 ! spec=NOESY, no=370, id=368
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name   HN) 2.711 0.882 0.882 ! spec=NOESY, no=371, id=369
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   22 and name  HB2) 4.167 2.083 2.083 ! spec=NOESY, no=373, id=371
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    3 and name  HB1) 3.355 1.351 1.351 ! spec=NOESY, no=374, id=372
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    3 and name  HB2) 3.544 1.507 1.507 ! spec=NOESY, no=375, id=373
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid    6 and name   HN) 3.990 1.911 1.911 ! spec=NOESY, no=376, id=374
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name   HA) 3.370 1.363 1.363 ! spec=NOESY, no=379, id=377
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name  HB2) 3.517 1.485 1.485 ! spec=NOESY, no=380, id=378
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB2) 2.201 0.582 0.582 ! spec=NOESY, no=381, id=379
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 1.916 0.441 0.441 ! spec=NOESY, no=382, id=380
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.659 0.849 0.849 ! spec=NOESY, no=383, id=381
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HG) 3.083 1.141 1.141 ! spec=NOESY, no=385, id=382
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 2.466 0.730 0.730 ! spec=NOESY, no=386, id=383
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   16 and name   HN) 4.089 2.006 2.006 ! spec=NOESY, no=387, id=384
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG12) 3.620 1.572 1.572 ! spec=NOESY, no=388, id=385
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG11)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG13)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   14 and name   HA) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   47 and name  HD1) 3.824 1.755 1.755 ! spec=NOESY, no=389, id=386
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   47 and name  HD2) 4.055 1.974 1.974 ! spec=NOESY, no=390, id=387
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid    6 and name  HB1) 3.427 1.410 1.410 ! spec=NOESY, no=392, id=389
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid    6 and name   HN) 2.925 1.026 1.026 ! spec=NOESY, no=393, id=390
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   12 and name  HB1) 5.077 3.093 3.093 ! spec=NOESY, no=394, id=391
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   13 and name   HG) 5.063 3.076 3.076 ! spec=NOESY, no=395, id=392
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HB1) 2.083 0.521 0.521 ! spec=NOESY, no=396, id=393
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name   HN) 2.893 1.004 1.004 ! spec=NOESY, no=397, id=394
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   15 and name   HN) 2.600 0.811 0.811 ! spec=NOESY, no=398, id=395
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   47 and name  HD1) 3.098 1.152 1.152 ! spec=NOESY, no=399, id=396
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   47 and name  HD2) 3.201 1.229 1.229 ! spec=NOESY, no=400, id=397
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid    6 and name   HN) 3.134 1.178 1.178 ! spec=NOESY, no=402, id=399
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 3.165 1.202 1.202 ! spec=NOESY, no=405, id=402
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 3.065 1.127 1.127 ! spec=NOESY, no=406, id=403
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   16 and name  HB2) 4.541 2.475 2.475 ! spec=NOESY, no=407, id=404
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   47 and name  HD1) 3.109 1.160 1.160 ! spec=NOESY, no=408, id=405
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   47 and name  HD2) 3.134 1.178 1.178 ! spec=NOESY, no=409, id=406
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name   HN) 2.688 0.867 0.867 ! spec=NOESY, no=410, id=407
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   21 and name   HA) 3.415 1.399 1.399 ! spec=NOESY, no=411, id=408
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HG) 3.188 1.219 1.219 ! spec=NOESY, no=414, id=411
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.430 0.708 0.708 ! spec=NOESY, no=415, id=412
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   16 and name   HN) 2.112 0.535 0.535 ! spec=NOESY, no=416, id=413
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG12) 4.119 2.036 2.036 ! spec=NOESY, no=418, id=415
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG11)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG13)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name   HN) 3.220 1.244 1.244 ! spec=NOESY, no=419, id=416
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   22 and name   HN) 3.261 1.276 1.276 ! spec=NOESY, no=421, id=418
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid    6 and name   HN) 3.590 1.546 1.546 ! spec=NOESY, no=423, id=420
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 2.434 0.711 0.711 ! spec=NOESY, no=424, id=421
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HB1) 1.717 0.354 0.354 ! spec=NOESY, no=425, id=422
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HG) 2.646 0.840 0.840 ! spec=NOESY, no=428, id=425
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 2.795 0.937 0.937 ! spec=NOESY, no=429, id=426
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   16 and name   HN) 3.038 1.108 1.108 ! spec=NOESY, no=431, id=428
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   17 and name   HN) 3.906 1.830 1.830 ! spec=NOESY, no=432, id=429
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   19 and name   HN) 4.428 2.353 2.353 ! spec=NOESY, no=433, id=430
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   20 and name   HN) 3.856 1.784 1.784 ! spec=NOESY, no=434, id=431
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid    5 and name  HB2) 4.679 2.627 2.627 ! spec=NOESY, no=435, id=432
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HA) 2.833 0.963 0.963 ! spec=NOESY, no=436, id=433
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name HD12) 2.492 0.745 0.745 ! spec=NOESY, no=437, id=434
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name   HN) 3.075 1.135 1.135 ! spec=NOESY, no=438, id=435
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   16 and name   HN) 3.111 1.161 1.161 ! spec=NOESY, no=440, id=437
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   17 and name  HB1) 4.560 2.495 2.495 ! spec=NOESY, no=441, id=438
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   20 and name   HN) 3.799 1.732 1.732 ! spec=NOESY, no=443, id=440
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   21 and name   HA) 3.561 1.521 1.521 ! spec=NOESY, no=444, id=441
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid    3 and name  HB1) 4.137 2.054 2.054 ! spec=NOESY, no=445, id=442
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid    3 and name  HB2) 4.610 2.550 2.550 ! spec=NOESY, no=446, id=443
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid    3 and name  HB2)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid    3 and name  HE1) 7.482 6.717 6.717 ! spec=NOESY, no=447, id=444
    or (segid "    " and resid   15 and name HD12) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD12) 4.354 2.275 2.275 ! spec=NOESY, no=448, id=445
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid    4 and name   HN) 4.465 2.393 2.393 ! spec=NOESY, no=449, id=446
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   15 and name   HA) 3.787 1.721 1.721 ! spec=NOESY, no=450, id=447
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   15 and name   HA)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   15 and name   HA)
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name HD12) 2.188 0.575 0.575 ! spec=NOESY, no=451, id=448
    or (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   15 and name HD22) 2.518 0.761 0.761 ! spec=NOESY, no=452, id=449
    or (segid "    " and resid   15 and name HD12) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   15 and name HD12) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   15 and name   HN) 3.306 1.311 1.311 ! spec=NOESY, no=453, id=450
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   19 and name   HA) 3.445 1.424 1.424 ! spec=NOESY, no=454, id=451
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   19 and name  HB2) 4.642 2.585 2.585 ! spec=NOESY, no=455, id=452
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   19 and name  HB2)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   19 and name  HB1) 4.551 2.485 2.485 ! spec=NOESY, no=456, id=453
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   20 and name   HN) 4.988 2.985 2.985 ! spec=NOESY, no=457, id=454
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   21 and name   HA) 4.852 2.825 2.825 ! spec=NOESY, no=458, id=455
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   15 and name HD12) (segid "    " and resid   21 and name   HN) 5.077 3.093 3.093 ! spec=NOESY, no=459, id=456
    or (segid "    " and resid   15 and name HD11) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   15 and name HD13) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HB1) 2.842 0.969 0.969 ! spec=NOESY, no=460, id=457
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HB2) 4.202 2.118 2.118 ! spec=NOESY, no=461, id=458
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HB2)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HD1) 3.167 1.204 1.204 ! spec=NOESY, no=462, id=459
    or (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HD2)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HD2)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HE1) 5.063 3.076 3.076 ! spec=NOESY, no=463, id=460
    or (segid "    " and resid   15 and name HD22) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    3 and name  HE2)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    3 and name  HE2)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    4 and name   HA) 4.089 2.006 2.006 ! spec=NOESY, no=464, id=461
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    4 and name   HA)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid    4 and name   HN) 4.116 2.033 2.033 ! spec=NOESY, no=465, id=462
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid    4 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid    4 and name   HN)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HD22) 2.728 0.893 0.893 ! spec=NOESY, no=466, id=463
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   15 and name  HB2) 3.398 1.386 1.386 ! spec=NOESY, no=467, id=464
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   15 and name  HB2)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   15 and name  HB2)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   15 and name  HB1) 2.332 0.653 0.653 ! spec=NOESY, no=468, id=465
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   15 and name  HB1)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   15 and name   HN) 3.333 1.333 1.333 ! spec=NOESY, no=469, id=466
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   15 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   15 and name   HN)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   16 and name   HN) 4.156 2.073 2.073 ! spec=NOESY, no=470, id=467
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   19 and name   HA) 4.084 2.002 2.002 ! spec=NOESY, no=471, id=468
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   19 and name   HA)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   19 and name   HA)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   19 and name  HB2) 6.919 5.745 5.745 ! spec=NOESY, no=472, id=469
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   19 and name  HB2)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   19 and name  HB2)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   19 and name  HB1) 5.118 3.144 3.144 ! spec=NOESY, no=473, id=470
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   20 and name   HA) 4.872 2.848 2.848 ! spec=NOESY, no=474, id=471
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   20 and name   HA)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   20 and name   HN) 4.837 2.808 2.808 ! spec=NOESY, no=475, id=472
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   20 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   21 and name   HA) 3.482 1.455 1.455 ! spec=NOESY, no=476, id=473
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   21 and name   HB) 3.640 1.590 1.590 ! spec=NOESY, no=477, id=474
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   21 and name   HB)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   21 and name   HB)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   21 and name   HN) 4.065 1.983 1.983 ! spec=NOESY, no=478, id=475
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   15 and name HD22) (segid "    " and resid   22 and name   HN) 4.407 2.331 2.331 ! spec=NOESY, no=479, id=476
    or (segid "    " and resid   15 and name HD21) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   15 and name HD23) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid   15 and name   HG) 3.454 1.432 1.432 ! spec=NOESY, no=480, id=477
assign (segid "    " and resid   15 and name   HG) (segid "    " and resid    3 and name  HB2) 3.406 1.392 1.392 ! spec=NOESY, no=481, id=478
assign (segid "    " and resid   15 and name   HG) (segid "    " and resid    4 and name   HN) 2.970 1.058 1.058 ! spec=NOESY, no=482, id=479
assign (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD12) 2.430 0.708 0.708 ! spec=NOESY, no=483, id=480
    or (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD11)
    or (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD13)
assign (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD22) 2.734 0.897 0.897 ! spec=NOESY, no=484, id=481
    or (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid   15 and name   HG) (segid "    " and resid   15 and name   HN) 2.341 0.658 0.658 ! spec=NOESY, no=485, id=482
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HN) 3.333 1.333 1.333 ! spec=NOESY, no=486, id=483
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   16 and name   HN) 3.124 1.171 1.171 ! spec=NOESY, no=487, id=484
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.338 0.656 0.656 ! spec=NOESY, no=488, id=485
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.291 0.630 0.630 ! spec=NOESY, no=489, id=486
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 2.184 0.573 0.573 ! spec=NOESY, no=490, id=487
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   17 and name   HN) 3.006 1.084 1.084 ! spec=NOESY, no=491, id=488
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   22 and name  HB1) 4.649 2.593 2.593 ! spec=NOESY, no=492, id=489
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   22 and name   HN) 3.847 1.776 1.776 ! spec=NOESY, no=493, id=490
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN) 2.680 0.862 0.862 ! spec=NOESY, no=495, id=492
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   17 and name   HN) 2.020 0.490 0.490 ! spec=NOESY, no=497, id=494
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   22 and name  HB1) 3.441 1.421 1.421 ! spec=NOESY, no=498, id=495
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   39 and name  HB2) 3.854 1.782 1.782 ! spec=NOESY, no=499, id=496
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   16 and name  HB2) 4.499 2.429 2.429 ! spec=NOESY, no=500, id=497
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name  HB2) 1.547 0.287 0.287 ! spec=NOESY, no=501, id=498
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 2.442 0.715 0.715 ! spec=NOESY, no=502, id=499
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   17 and name   HN) 2.626 0.828 0.828 ! spec=NOESY, no=503, id=500
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   20 and name  HB2) 4.260 2.178 2.178 ! spec=NOESY, no=504, id=501
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   38 and name   HN) 4.667 2.614 2.614 ! spec=NOESY, no=505, id=502
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   21 and name   HN) 3.990 1.911 1.911 ! spec=NOESY, no=507, id=504
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   22 and name   HN) 2.866 0.986 0.986 ! spec=NOESY, no=508, id=505
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HN) 2.745 0.904 0.904 ! spec=NOESY, no=509, id=506
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   18 and name   HN) 4.679 2.627 2.627 ! spec=NOESY, no=510, id=507
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   19 and name   HN) 4.008 1.928 1.928 ! spec=NOESY, no=511, id=508
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   37 and name  HB2) 3.578 1.536 1.536 ! spec=NOESY, no=512, id=509
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   37 and name HD21) 5.226 3.278 3.278 ! spec=NOESY, no=513, id=510
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   17 and name  HB1) 2.341 0.658 0.658 ! spec=NOESY, no=514, id=511
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name  HA2) 4.216 2.133 2.133 ! spec=NOESY, no=515, id=512
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   18 and name   HN) 3.069 1.130 1.130 ! spec=NOESY, no=516, id=513
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   20 and name   HN) 3.351 1.348 1.348 ! spec=NOESY, no=517, id=514
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   38 and name   HA) 3.374 1.366 1.366 ! spec=NOESY, no=518, id=515
assign (segid "    " and resid   17 and name  HB2) (segid "    " and resid   39 and name   HN) 3.432 1.413 1.413 ! spec=NOESY, no=519, id=516
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HG2) 2.965 1.055 1.055 ! spec=NOESY, no=520, id=517
    or (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name  HG1)
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   17 and name   HN) 2.488 0.743 0.743 ! spec=NOESY, no=521, id=518
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   18 and name   HN) 2.653 0.844 0.844 ! spec=NOESY, no=522, id=519
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   19 and name  HB2) 4.656 2.602 2.602 ! spec=NOESY, no=523, id=520
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   20 and name  HB2) 2.864 0.984 0.984 ! spec=NOESY, no=524, id=521
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   20 and name   HN) 3.185 1.217 1.217 ! spec=NOESY, no=525, id=522
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   20 and name HD21) 3.897 1.822 1.822 ! spec=NOESY, no=526, id=523
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   38 and name   HA) 4.385 2.307 2.307 ! spec=NOESY, no=527, id=524
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   39 and name  HB2) 4.101 2.018 2.018 ! spec=NOESY, no=528, id=525
assign (segid "    " and resid   17 and name  HB1) (segid "    " and resid   39 and name   HN) 3.878 1.805 1.805 ! spec=NOESY, no=529, id=526
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HA) 2.742 0.903 0.903 ! spec=NOESY, no=530, id=527
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HA)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name   HN) 3.394 1.382 1.382 ! spec=NOESY, no=531, id=528
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name   HN)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   38 and name   HA) 4.086 2.003 2.003 ! spec=NOESY, no=532, id=529
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   38 and name   HA)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   15 and name   HA) 3.306 1.311 1.311 ! spec=NOESY, no=533, id=530
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   17 and name   HN) 2.762 0.915 0.915 ! spec=NOESY, no=534, id=531
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   20 and name  HB1) 3.048 1.115 1.115 ! spec=NOESY, no=535, id=532
assign (segid "    " and resid   18 and name  HA2) (segid "    " and resid   18 and name   HN) 2.529 0.767 0.767 ! spec=NOESY, no=537, id=534
assign (segid "    " and resid   18 and name  HA2) (segid "    " and resid   19 and name   HN) 3.145 1.187 1.187 ! spec=NOESY, no=538, id=535
assign (segid "    " and resid   18 and name  HA2) (segid "    " and resid   20 and name   HN) 3.436 1.417 1.417 ! spec=NOESY, no=539, id=536
assign (segid "    " and resid   18 and name  HA1) (segid "    " and resid   18 and name   HN) 2.222 0.592 0.592 ! spec=NOESY, no=540, id=537
assign (segid "    " and resid   18 and name  HA1) (segid "    " and resid   19 and name   HN) 2.796 0.938 0.938 ! spec=NOESY, no=542, id=539
assign (segid "    " and resid   18 and name  HA1) (segid "    " and resid   20 and name  HB2) 3.990 1.911 1.911 ! spec=NOESY, no=543, id=540
assign (segid "    " and resid   18 and name  HA1) (segid "    " and resid   20 and name   HN) 2.935 1.033 1.033 ! spec=NOESY, no=544, id=541
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HG2) 3.590 1.546 1.546 ! spec=NOESY, no=545, id=542
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HG1)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HN) 3.292 1.301 1.301 ! spec=NOESY, no=546, id=543
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name   HN) 3.306 1.311 1.311 ! spec=NOESY, no=547, id=544
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   37 and name  HB2) 4.660 2.606 2.606 ! spec=NOESY, no=548, id=545
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   15 and name  HB2) 2.909 1.016 1.016 ! spec=NOESY, no=549, id=546
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   19 and name   HA) 2.853 0.977 0.977 ! spec=NOESY, no=550, id=547
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   18 and name   HN) 3.875 1.802 1.802 ! spec=NOESY, no=551, id=548
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.513 0.758 0.758 ! spec=NOESY, no=552, id=549
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 2.720 0.888 0.888 ! spec=NOESY, no=553, id=550
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name   HN) 2.434 0.711 0.711 ! spec=NOESY, no=554, id=551
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   20 and name   HN) 2.888 1.001 1.001 ! spec=NOESY, no=555, id=552
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   21 and name   HN) 3.900 1.825 1.825 ! spec=NOESY, no=557, id=554
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   15 and name  HB1) 3.960 1.882 1.882 ! spec=NOESY, no=558, id=555
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   18 and name   HN) 4.930 2.917 2.917 ! spec=NOESY, no=559, id=556
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HN) 2.790 0.934 0.934 ! spec=NOESY, no=560, id=557
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   20 and name   HN) 3.415 1.399 1.399 ! spec=NOESY, no=561, id=558
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   19 and name   HN) 2.709 0.880 0.880 ! spec=NOESY, no=562, id=559
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   20 and name   HN) 3.473 1.447 1.447 ! spec=NOESY, no=563, id=560
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   19 and name   HN) 3.296 1.303 1.303 ! spec=NOESY, no=564, id=561
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.620 0.824 0.824 ! spec=NOESY, no=565, id=562
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB1) 2.418 0.702 0.702 ! spec=NOESY, no=566, id=563
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name   HN) 2.457 0.725 0.725 ! spec=NOESY, no=567, id=564
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HA) 3.243 1.262 1.262 ! spec=NOESY, no=568, id=565
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   21 and name   HN) 2.011 0.485 0.485 ! spec=NOESY, no=569, id=566
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   22 and name   HN) 4.198 2.115 2.115 ! spec=NOESY, no=570, id=567
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.491 0.745 0.745 ! spec=NOESY, no=572, id=569
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD21) 2.832 0.962 0.962 ! spec=NOESY, no=573, id=570
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name HD22) 3.584 1.541 1.541 ! spec=NOESY, no=574, id=571
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   21 and name   HN) 3.182 1.215 1.215 ! spec=NOESY, no=575, id=572
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name  HB1) 1.985 0.473 0.473 ! spec=NOESY, no=576, id=573
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.939 1.037 1.037 ! spec=NOESY, no=577, id=574
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD21) 3.316 1.319 1.319 ! spec=NOESY, no=578, id=575
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name HD22) 3.120 1.168 1.168 ! spec=NOESY, no=579, id=576
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 2.855 0.978 0.978 ! spec=NOESY, no=580, id=577
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HN) 2.257 0.611 0.611 ! spec=NOESY, no=581, id=578
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 3.214 1.240 1.240 ! spec=NOESY, no=584, id=581
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   22 and name   HN) 4.202 2.118 2.118 ! spec=NOESY, no=585, id=582
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD21) 1.850 0.411 0.411 ! spec=NOESY, no=587, id=584
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name HD22) 2.701 0.876 0.876 ! spec=NOESY, no=589, id=586
assign (segid "    " and resid   20 and name HD22) (segid "    " and resid   20 and name HD21) 2.192 0.576 0.576 ! spec=NOESY, no=590, id=587
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   21 and name   HA) 1.969 0.465 0.465 ! spec=NOESY, no=591, id=588
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   16 and name   HN) 2.709 0.880 0.880 ! spec=NOESY, no=592, id=589
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HB) 2.386 0.683 0.683 ! spec=NOESY, no=593, id=590
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name   HN) 2.480 0.738 0.738 ! spec=NOESY, no=594, id=591
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HA) 3.406 1.392 1.392 ! spec=NOESY, no=595, id=592
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name   HN) 2.126 0.542 0.542 ! spec=NOESY, no=596, id=593
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name   HN) 4.656 2.602 2.602 ! spec=NOESY, no=597, id=594
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name   HN) 2.222 0.592 0.592 ! spec=NOESY, no=598, id=595
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid    3 and name  HD1) 3.544 1.507 1.507 ! spec=NOESY, no=599, id=596
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid    3 and name  HE1) 4.242 2.160 2.160 ! spec=NOESY, no=600, id=597
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid    3 and name  HB1) 4.040 1.959 1.959 ! spec=NOESY, no=601, id=598
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid    3 and name  HB1)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid    3 and name  HB2) 4.649 2.593 2.593 ! spec=NOESY, no=602, id=599
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid    3 and name  HB2)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid    3 and name  HB2)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   13 and name   HG) 5.454 3.570 3.570 ! spec=NOESY, no=605, id=602
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   13 and name   HG)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   13 and name   HG)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   13 and name   HG)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   13 and name   HG)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   13 and name   HG)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   13 and name   HN) 5.037 3.045 3.045 ! spec=NOESY, no=606, id=603
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   13 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   13 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   14 and name   HN) 3.949 1.872 1.872 ! spec=NOESY, no=608, id=605
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   14 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   14 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   15 and name HD22) 5.077 3.093 3.093 ! spec=NOESY, no=609, id=606
    or (segid "    " and resid   21 and name HG12) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG12) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   15 and name HD23)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   15 and name HD22)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   15 and name HD21)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   15 and name HD23)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   16 and name   HN) 4.698 2.649 2.649 ! spec=NOESY, no=610, id=607
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   16 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   16 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   21 and name   HA) 2.455 0.723 0.723 ! spec=NOESY, no=611, id=608
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   21 and name   HA)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   21 and name   HA)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   21 and name   HB) 2.140 0.549 0.549 ! spec=NOESY, no=612, id=609
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   21 and name   HB)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   21 and name   HB)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   21 and name   HB)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   21 and name   HB)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   21 and name   HB)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   21 and name   HN) 3.170 1.206 1.206 ! spec=NOESY, no=613, id=610
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   21 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   21 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   22 and name   HN) 3.432 1.413 1.413 ! spec=NOESY, no=614, id=611
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   22 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   22 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   23 and name  HA2) 4.387 2.310 2.310 ! spec=NOESY, no=615, id=612
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   23 and name  HA2)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   23 and name  HA2)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   23 and name  HA1) 4.387 2.310 2.310 ! spec=NOESY, no=616, id=613
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   23 and name  HA1)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   23 and name  HA1)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   23 and name   HN) 4.694 2.644 2.644 ! spec=NOESY, no=617, id=614
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid   23 and name   HN)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid   23 and name   HN)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid    3 and name  HD1) 3.382 1.373 1.373 ! spec=NOESY, no=618, id=615
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid    3 and name  HD1)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid    3 and name  HD1)
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid    3 and name  HE1) 3.337 1.336 1.336 ! spec=NOESY, no=619, id=616
    or (segid "    " and resid   21 and name HG11) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   21 and name HG13) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   21 and name HG22) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   21 and name HG21) (segid "    " and resid    3 and name  HE1)
    or (segid "    " and resid   21 and name HG23) (segid "    " and resid    3 and name  HE1)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name HD22) 4.019 1.938 1.938 ! spec=NOESY, no=622, id=619
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 3.073 1.133 1.133 ! spec=NOESY, no=623, id=620
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   22 and name   HA) 4.048 1.967 1.967 ! spec=NOESY, no=624, id=621
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG12) 4.043 1.961 1.961 ! spec=NOESY, no=625, id=622
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG11)
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG13)
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.463 0.728 0.728 ! spec=NOESY, no=626, id=623
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB1) 2.675 0.859 0.859 ! spec=NOESY, no=627, id=624
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name   HN) 2.400 0.691 0.691 ! spec=NOESY, no=628, id=625
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HN) 2.459 0.725 0.725 ! spec=NOESY, no=629, id=626
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   24 and name   HA) 4.925 2.910 2.910 ! spec=NOESY, no=630, id=627
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   24 and name   HN) 4.387 2.310 2.310 ! spec=NOESY, no=631, id=628
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   16 and name  HB1) 2.981 1.066 1.066 ! spec=NOESY, no=632, id=629
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   16 and name  HB2) 2.474 0.735 0.735 ! spec=NOESY, no=633, id=630
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   16 and name   HN) 4.405 2.328 2.328 ! spec=NOESY, no=634, id=631
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   17 and name   HN) 3.561 1.521 1.521 ! spec=NOESY, no=635, id=632
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HB1) 1.960 0.461 0.461 ! spec=NOESY, no=636, id=633
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name   HN) 2.694 0.871 0.871 ! spec=NOESY, no=637, id=634
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   23 and name   HN) 3.363 1.357 1.357 ! spec=NOESY, no=638, id=635
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   14 and name   HN) 2.968 1.057 1.057 ! spec=NOESY, no=639, id=636
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   17 and name   HN) 4.291 2.209 2.209 ! spec=NOESY, no=640, id=637
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name   HA) 3.801 1.733 1.733 ! spec=NOESY, no=641, id=638
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG12) 4.833 2.802 2.802 ! spec=NOESY, no=642, id=639
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG11)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG13)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   22 and name  HB1) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   22 and name  HB1) (segid "    " and resid   22 and name   HN) 2.576 0.796 0.796 ! spec=NOESY, no=644, id=641
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   22 and name   HN) 2.774 0.923 0.923 ! spec=NOESY, no=645, id=642
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   23 and name  HA2) 2.919 1.022 1.022 ! spec=NOESY, no=647, id=644
assign (segid "    " and resid   23 and name  HA2) (segid "    " and resid   13 and name   HN) 2.927 1.028 1.028 ! spec=NOESY, no=648, id=645
assign (segid "    " and resid   23 and name  HA2) (segid "    " and resid   23 and name   HN) 2.758 0.913 0.913 ! spec=NOESY, no=649, id=646
assign (segid "    " and resid   23 and name  HA2) (segid "    " and resid   24 and name   HN) 2.492 0.745 0.745 ! spec=NOESY, no=650, id=647
assign (segid "    " and resid   23 and name  HA2) (segid "    " and resid   26 and name HD21) 4.387 2.310 2.310 ! spec=NOESY, no=651, id=648
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   23 and name  HA1) 3.668 1.614 1.614 ! spec=NOESY, no=652, id=649
assign (segid "    " and resid   23 and name  HA1) (segid "    " and resid   13 and name   HN) 4.155 2.071 2.071 ! spec=NOESY, no=653, id=650
assign (segid "    " and resid   23 and name  HA1) (segid "    " and resid   22 and name   HA) 3.330 1.330 1.330 ! spec=NOESY, no=654, id=651
assign (segid "    " and resid   23 and name  HA1) (segid "    " and resid   23 and name   HN) 2.632 0.831 0.831 ! spec=NOESY, no=655, id=652
assign (segid "    " and resid   23 and name  HA1) (segid "    " and resid   24 and name   HN) 2.011 0.485 0.485 ! spec=NOESY, no=656, id=653
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name   HN) 3.502 1.472 1.472 ! spec=NOESY, no=657, id=654
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   12 and name HD21) 2.880 0.995 0.995 ! spec=NOESY, no=659, id=656
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   12 and name HD22) 2.976 1.063 1.063 ! spec=NOESY, no=660, id=657
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG2) 2.525 0.765 0.765 ! spec=NOESY, no=661, id=658
    or (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   25 and name   HN) 1.944 0.454 0.454 ! spec=NOESY, no=662, id=659
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   26 and name   HN) 2.462 0.727 0.727 ! spec=NOESY, no=663, id=660
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HA) 2.449 0.719 0.719 ! spec=NOESY, no=664, id=661
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HG2) 3.667 1.614 1.614 ! spec=NOESY, no=665, id=662
    or (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HG2)
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name   HN) 2.579 0.798 0.798 ! spec=NOESY, no=666, id=663
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HA2) 3.590 1.546 1.546 ! spec=NOESY, no=667, id=664
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name  HA2)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name  HA1) 3.584 1.541 1.541 ! spec=NOESY, no=668, id=665
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name  HA1)
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   25 and name   HN) 2.708 0.880 0.880 ! spec=NOESY, no=669, id=666
    or (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   12 and name HD21) 4.150 2.067 2.067 ! spec=NOESY, no=670, id=667
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   12 and name HD21)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   12 and name HD22) 3.985 1.906 1.906 ! spec=NOESY, no=671, id=668
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   12 and name HD22)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HN) 3.020 1.095 1.095 ! spec=NOESY, no=672, id=669
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HN)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name HE22) 3.120 1.168 1.168 ! spec=NOESY, no=673, id=670
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name HE22)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name HE21) 2.774 0.923 0.923 ! spec=NOESY, no=674, id=671
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name HE21)
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   23 and name   HN) 3.105 1.157 1.157 ! spec=NOESY, no=675, id=672
assign (segid "    " and resid   24 and name   HN) (segid "    " and resid   25 and name   HN) 3.323 1.325 1.325 ! spec=NOESY, no=676, id=673
assign (segid "    " and resid   25 and name  HA2) (segid "    " and resid   23 and name  HA1) 5.186 3.227 3.227 ! spec=NOESY, no=677, id=674
assign (segid "    " and resid   25 and name  HA2) (segid "    " and resid   25 and name   HN) 2.190 0.575 0.575 ! spec=NOESY, no=678, id=675
assign (segid "    " and resid   25 and name  HA2) (segid "    " and resid   26 and name   HN) 2.757 0.912 0.912 ! spec=NOESY, no=679, id=676
assign (segid "    " and resid   25 and name  HA2) (segid "    " and resid   42 and name  HA1) 3.898 1.823 1.823 ! spec=NOESY, no=680, id=677
assign (segid "    " and resid   25 and name  HA2) (segid "    " and resid   43 and name   HN) 4.347 2.268 2.268 ! spec=NOESY, no=681, id=678
assign (segid "    " and resid   25 and name  HA1) (segid "    " and resid   25 and name   HN) 2.442 0.715 0.715 ! spec=NOESY, no=682, id=679
assign (segid "    " and resid   25 and name  HA1) (segid "    " and resid   26 and name   HN) 2.542 0.775 0.775 ! spec=NOESY, no=683, id=680
assign (segid "    " and resid   25 and name  HA1) (segid "    " and resid   42 and name   HN) 3.566 1.526 1.526 ! spec=NOESY, no=684, id=681
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   12 and name HD21) 3.296 1.303 1.303 ! spec=NOESY, no=685, id=682
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   12 and name HD22) 3.555 1.517 1.517 ! spec=NOESY, no=686, id=683
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG2) 3.190 1.221 1.221 ! spec=NOESY, no=687, id=684
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   43 and name   HA) 3.415 1.399 1.399 ! spec=NOESY, no=689, id=686
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name   HN) 2.647 0.841 0.841 ! spec=NOESY, no=690, id=687
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   41 and name HG21) 4.385 2.307 2.307 ! spec=NOESY, no=693, id=690
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   41 and name HG22)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   41 and name HG23)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   41 and name   HN) 3.544 1.507 1.507 ! spec=NOESY, no=694, id=691
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   42 and name   HN) 2.335 0.654 0.654 ! spec=NOESY, no=695, id=692
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   43 and name   HA) 3.590 1.546 1.546 ! spec=NOESY, no=697, id=694
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   23 and name   HN) 3.681 1.626 1.626 ! spec=NOESY, no=698, id=695
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HA) 2.533 0.770 0.770 ! spec=NOESY, no=699, id=696
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HB2) 2.175 0.568 0.568 ! spec=NOESY, no=700, id=697
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name   HN) 3.150 1.191 1.191 ! spec=NOESY, no=701, id=698
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name HD22) 3.153 1.193 1.193 ! spec=NOESY, no=702, id=699
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name HD21) 3.129 1.175 1.175 ! spec=NOESY, no=703, id=700
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   27 and name   HN) 2.662 0.851 0.851 ! spec=NOESY, no=704, id=701
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   40 and name   HN) 3.463 1.439 1.439 ! spec=NOESY, no=705, id=702
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   42 and name   HN) 3.394 1.382 1.382 ! spec=NOESY, no=706, id=703
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   12 and name   HN) 4.953 2.943 2.943 ! spec=NOESY, no=707, id=704
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   23 and name   HN) 4.428 2.353 2.353 ! spec=NOESY, no=708, id=705
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   25 and name   HN) 3.891 1.816 1.816 ! spec=NOESY, no=709, id=706
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HA) 2.570 0.792 0.792 ! spec=NOESY, no=710, id=707
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HN) 2.759 0.914 0.914 ! spec=NOESY, no=711, id=708
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name HD22) 3.182 1.215 1.215 ! spec=NOESY, no=712, id=709
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   42 and name   HN) 3.914 1.839 1.839 ! spec=NOESY, no=713, id=710
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   44 and name   HN) 3.897 1.822 1.822 ! spec=NOESY, no=714, id=711
assign (segid "    " and resid   12 and name HD21) (segid "    " and resid   26 and name   HN) 3.220 1.244 1.244 ! spec=NOESY, no=715, id=712
assign (segid "    " and resid   12 and name HD22) (segid "    " and resid   26 and name   HN) 3.642 1.592 1.592 ! spec=NOESY, no=716, id=713
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   26 and name   HN) 3.033 1.104 1.104 ! spec=NOESY, no=717, id=714
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   24 and name   HN) 3.201 1.229 1.229 ! spec=NOESY, no=718, id=715
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name   HN) 2.073 0.515 0.515 ! spec=NOESY, no=719, id=716
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name HD21) 3.270 1.283 1.283 ! spec=NOESY, no=720, id=717
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   43 and name   HA) 3.550 1.512 1.512 ! spec=NOESY, no=722, id=719
assign (segid "    " and resid   26 and name HD22) (segid "    " and resid   26 and name HD21) 2.123 0.541 0.541 ! spec=NOESY, no=723, id=720
assign (segid "    " and resid   26 and name HD21) (segid "    " and resid   23 and name   HN) 3.627 1.579 1.579 ! spec=NOESY, no=724, id=721
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   12 and name   HA) 3.584 1.541 1.541 ! spec=NOESY, no=726, id=723
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   12 and name   HN) 3.855 1.783 1.783 ! spec=NOESY, no=727, id=724
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   12 and name HD21) 3.617 1.570 1.570 ! spec=NOESY, no=728, id=725
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   25 and name  HA2) 4.638 2.581 2.581 ! spec=NOESY, no=729, id=726
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   26 and name   HA) 3.386 1.376 1.376 ! spec=NOESY, no=730, id=727
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name  HE1) 3.602 1.557 1.557 ! spec=NOESY, no=731, id=728
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   27 and name   HN) 3.013 1.089 1.089 ! spec=NOESY, no=732, id=729
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HA) 3.544 1.507 1.507 ! spec=NOESY, no=733, id=730
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   28 and name   HN) 2.376 0.677 0.677 ! spec=NOESY, no=734, id=731
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   44 and name  HA1) 3.555 1.517 1.517 ! spec=NOESY, no=735, id=732
assign (segid "    " and resid   27 and name   HA) (segid "    " and resid   44 and name  HA2) 2.735 0.898 0.898 ! spec=NOESY, no=736, id=733
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   11 and name   HN) 4.953 2.943 2.943 ! spec=NOESY, no=739, id=736
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   11 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HA) 2.239 0.601 0.601 ! spec=NOESY, no=740, id=737
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HA)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.310 0.640 0.640 ! spec=NOESY, no=742, id=739
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   28 and name   HN) 3.337 1.336 1.336 ! spec=NOESY, no=743, id=740
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   44 and name  HA1) 3.240 1.260 1.260 ! spec=NOESY, no=745, id=742
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   44 and name  HA1)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   44 and name  HA2) 3.592 1.548 1.548 ! spec=NOESY, no=746, id=743
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   44 and name  HA2)
assign (segid "    " and resid   27 and name  HD1) (segid "    " and resid   11 and name   HN) 4.544 2.478 2.478 ! spec=NOESY, no=748, id=745
assign (segid "    " and resid   27 and name  HD1) (segid "    " and resid   12 and name HD22) 4.006 1.925 1.925 ! spec=NOESY, no=749, id=746
assign (segid "    " and resid   27 and name  HD1) (segid "    " and resid   42 and name   HN) 4.256 2.174 2.174 ! spec=NOESY, no=750, id=747
assign (segid "    " and resid   27 and name  HD1) (segid "    " and resid   43 and name   HA) 3.769 1.704 1.704 ! spec=NOESY, no=751, id=748
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name  HE1) 3.312 1.317 1.317 ! spec=NOESY, no=753, id=750
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name  HE1)
assign (segid "    " and resid   27 and name  HE1) (segid "    " and resid   27 and name  HD1) 3.063 1.126 1.126 ! spec=NOESY, no=754, id=751
assign (segid "    " and resid   27 and name  HE1) (segid "    " and resid   27 and name  HD2) 3.129 1.175 1.175 ! spec=NOESY, no=755, id=752
assign (segid "    " and resid   27 and name  HE1) (segid "    " and resid   40 and name HG22) 5.037 3.045 3.045 ! spec=NOESY, no=757, id=754
    or (segid "    " and resid   27 and name  HE1) (segid "    " and resid   40 and name HG21)
    or (segid "    " and resid   27 and name  HE1) (segid "    " and resid   40 and name HG23)
assign (segid "    " and resid   27 and name  HE1) (segid "    " and resid   42 and name  HA2) 3.566 1.526 1.526 ! spec=NOESY, no=758, id=755
assign (segid "    " and resid   27 and name  HE2) (segid "    " and resid   27 and name  HD2) 3.544 1.507 1.507 ! spec=NOESY, no=759, id=756
assign (segid "    " and resid   27 and name  HE2) (segid "    " and resid   40 and name HG22) 5.090 3.109 3.109 ! spec=NOESY, no=761, id=758
    or (segid "    " and resid   27 and name  HE2) (segid "    " and resid   40 and name HG21)
    or (segid "    " and resid   27 and name  HE2) (segid "    " and resid   40 and name HG23)
assign (segid "    " and resid   27 and name  HG1) (segid "    " and resid   27 and name  HE1) 2.806 0.945 0.945 ! spec=NOESY, no=762, id=759
assign (segid "    " and resid   27 and name  HG1) (segid "    " and resid   29 and name HD12) 5.097 3.118 3.118 ! spec=NOESY, no=763, id=760
    or (segid "    " and resid   27 and name  HG1) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid   27 and name  HG1) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   27 and name   HA) 3.544 1.507 1.507 ! spec=NOESY, no=764, id=761
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   27 and name  HD1) 2.511 0.757 0.757 ! spec=NOESY, no=765, id=762
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   27 and name  HE1) 3.544 1.507 1.507 ! spec=NOESY, no=766, id=763
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   27 and name   HN) 3.270 1.283 1.283 ! spec=NOESY, no=767, id=764
assign (segid "    " and resid   27 and name  HG2) (segid "    " and resid   40 and name   HN) 3.544 1.507 1.507 ! spec=NOESY, no=768, id=765
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   27 and name   HN) 2.143 0.551 0.551 ! spec=NOESY, no=769, id=766
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2) 3.092 1.147 1.147 ! spec=NOESY, no=770, id=767
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   27 and name   HN) 3.289 1.298 1.298 ! spec=NOESY, no=771, id=768
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HG1) 3.544 1.507 1.507 ! spec=NOESY, no=772, id=769
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 3.206 1.234 1.234 ! spec=NOESY, no=773, id=770
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   39 and name   HA) 3.544 1.507 1.507 ! spec=NOESY, no=774, id=771
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   40 and name HG12) 4.111 2.029 2.029 ! spec=NOESY, no=775, id=772
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   40 and name HG11)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   40 and name HG13)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   42 and name   HN) 3.427 1.410 1.410 ! spec=NOESY, no=776, id=773
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   44 and name  HA2) 4.057 1.975 1.975 ! spec=NOESY, no=778, id=775
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   26 and name   HA) 4.387 2.310 2.310 ! spec=NOESY, no=779, id=776
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB1) 3.020 1.095 1.095 ! spec=NOESY, no=780, id=777
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB2) 2.807 0.946 0.946 ! spec=NOESY, no=781, id=778
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name   HN) 2.266 0.616 0.616 ! spec=NOESY, no=782, id=779
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   29 and name   HA) 3.423 1.406 1.406 ! spec=NOESY, no=783, id=780
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   39 and name   HA) 2.852 0.976 0.976 ! spec=NOESY, no=786, id=783
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   39 and name  HB2) 3.838 1.768 1.768 ! spec=NOESY, no=787, id=784
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   40 and name HG22) 4.726 2.680 2.680 ! spec=NOESY, no=788, id=785
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   40 and name HG21)
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   40 and name HG23)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   40 and name   HN) 2.332 0.653 0.653 ! spec=NOESY, no=789, id=786
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   10 and name   HN) 3.572 1.531 1.531 ! spec=NOESY, no=792, id=789
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HB2) 2.294 0.631 0.631 ! spec=NOESY, no=793, id=790
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name   HN) 2.683 0.864 0.864 ! spec=NOESY, no=794, id=791
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   29 and name   HN) 3.175 1.209 1.209 ! spec=NOESY, no=795, id=792
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name   HN) 2.684 0.864 0.864 ! spec=NOESY, no=796, id=793
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   10 and name   HN) 2.981 1.066 1.066 ! spec=NOESY, no=797, id=794
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   39 and name   HA) 3.473 1.447 1.447 ! spec=NOESY, no=798, id=795
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   40 and name   HN) 3.544 1.507 1.507 ! spec=NOESY, no=799, id=796
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   44 and name  HA2) 3.668 1.614 1.614 ! spec=NOESY, no=800, id=797
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid    9 and name  HB2) 3.206 1.234 1.234 ! spec=NOESY, no=802, id=799
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   10 and name   HN) 2.524 0.765 0.765 ! spec=NOESY, no=803, id=800
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HD12) 3.561 1.521 1.521 ! spec=NOESY, no=805, id=802
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HG22) 2.332 0.653 0.653 ! spec=NOESY, no=806, id=803
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name   HN) 2.978 1.064 1.064 ! spec=NOESY, no=807, id=804
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   30 and name   HN) 1.849 0.410 0.410 ! spec=NOESY, no=808, id=805
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   31 and name   HN) 3.928 1.851 1.851 ! spec=NOESY, no=809, id=806
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   38 and name   HN) 3.823 1.754 1.754 ! spec=NOESY, no=810, id=807
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid    9 and name  HB2) 3.363 1.357 1.357 ! spec=NOESY, no=811, id=808
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name   HA) 2.312 0.642 0.642 ! spec=NOESY, no=812, id=809
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HD12) 2.885 0.999 0.999 ! spec=NOESY, no=813, id=810
    or (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HG22) 2.239 0.601 0.601 ! spec=NOESY, no=814, id=811
    or (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   29 and name   HN) 3.053 1.119 1.119 ! spec=NOESY, no=815, id=812
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   30 and name   HN) 3.022 1.096 1.096 ! spec=NOESY, no=816, id=813
assign (segid "    " and resid   29 and name   HB) (segid "    " and resid   38 and name   HN) 4.021 1.941 1.941 ! spec=NOESY, no=817, id=814
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HD12) 4.627 2.569 2.569 ! spec=NOESY, no=818, id=815
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid    9 and name  HB2) 4.872 2.848 2.848 ! spec=NOESY, no=820, id=817
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid    9 and name  HB2)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid    9 and name  HB2)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   10 and name   HN) 4.380 2.302 2.302 ! spec=NOESY, no=822, id=819
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   29 and name HD12) 4.818 2.786 2.786 ! spec=NOESY, no=823, id=820
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   29 and name HD13)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HD12)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HD11)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HD13)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   27 and name  HG2) 4.086 2.003 2.003 ! spec=NOESY, no=824, id=821
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   27 and name  HG2)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   27 and name  HG2)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   28 and name   HN) 4.828 2.797 2.797 ! spec=NOESY, no=825, id=822
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   28 and name   HN)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   28 and name   HN)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   29 and name HG11) 3.124 1.171 1.171 ! spec=NOESY, no=827, id=824
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   29 and name HG11)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   29 and name HG12) 2.976 1.063 1.063 ! spec=NOESY, no=828, id=825
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   29 and name HG12)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   29 and name   HN) 3.596 1.552 1.552 ! spec=NOESY, no=829, id=826
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   29 and name   HN)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   30 and name   HA) 5.083 3.101 3.101 ! spec=NOESY, no=830, id=827
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   30 and name   HG) 5.424 3.531 3.531 ! spec=NOESY, no=831, id=828
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   30 and name   HG)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   30 and name   HG)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   30 and name   HN) 4.412 2.336 2.336 ! spec=NOESY, no=832, id=829
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   29 and name HD12) (segid "    " and resid   40 and name   HN) 4.743 2.699 2.699 ! spec=NOESY, no=833, id=830
    or (segid "    " and resid   29 and name HD11) (segid "    " and resid   40 and name   HN)
    or (segid "    " and resid   29 and name HD13) (segid "    " and resid   40 and name   HN)
assign (segid "    " and resid   29 and name HG11) (segid "    " and resid   29 and name   HA) 2.777 0.925 0.925 ! spec=NOESY, no=834, id=831
assign (segid "    " and resid   29 and name HG11) (segid "    " and resid   29 and name   HB) 2.418 0.702 0.702 ! spec=NOESY, no=835, id=832
assign (segid "    " and resid   29 and name HG11) (segid "    " and resid   29 and name   HN) 2.900 1.009 1.009 ! spec=NOESY, no=836, id=833
assign (segid "    " and resid   29 and name HG11) (segid "    " and resid   30 and name   HN) 3.590 1.546 1.546 ! spec=NOESY, no=837, id=834
assign (segid "    " and resid   29 and name HG11) (segid "    " and resid   40 and name   HN) 4.021 1.941 1.941 ! spec=NOESY, no=838, id=835
assign (segid "    " and resid   29 and name HG12) (segid "    " and resid   10 and name   HN) 3.578 1.536 1.536 ! spec=NOESY, no=840, id=837
assign (segid "    " and resid   29 and name HG12) (segid "    " and resid   29 and name   HB) 2.438 0.713 0.713 ! spec=NOESY, no=841, id=838
assign (segid "    " and resid   29 and name HG12) (segid "    " and resid   29 and name   HN) 3.063 1.126 1.126 ! spec=NOESY, no=842, id=839
assign (segid "    " and resid   29 and name HG12) (segid "    " and resid   30 and name   HN) 4.021 1.941 1.941 ! spec=NOESY, no=843, id=840
assign (segid "    " and resid   29 and name HG12) (segid "    " and resid   40 and name   HN) 5.070 3.085 3.085 ! spec=NOESY, no=844, id=841
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   10 and name  HA1) 4.423 2.347 2.347 ! spec=NOESY, no=845, id=842
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   10 and name  HA1)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   10 and name  HA1)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   10 and name   HN) 4.683 2.631 2.631 ! spec=NOESY, no=846, id=843
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   29 and name HG11) 2.913 1.018 1.018 ! spec=NOESY, no=848, id=845
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   29 and name HG11)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   29 and name HG12) 3.092 1.147 1.147 ! spec=NOESY, no=849, id=846
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   29 and name HG12)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   29 and name   HN) 3.330 1.330 1.330 ! spec=NOESY, no=850, id=847
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   29 and name   HN)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   30 and name   HN) 3.468 1.443 1.443 ! spec=NOESY, no=851, id=848
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   29 and name   HN) 2.101 0.530 0.530 ! spec=NOESY, no=852, id=849
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB2) 3.584 1.541 1.541 ! spec=NOESY, no=853, id=850
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name   HN) 3.370 1.363 1.363 ! spec=NOESY, no=854, id=851
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD12) 4.823 2.791 2.791 ! spec=NOESY, no=855, id=852
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name   HN) 3.061 1.125 1.125 ! spec=NOESY, no=856, id=853
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   37 and name  HB2) 4.405 2.328 2.328 ! spec=NOESY, no=857, id=854
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   38 and name  HB1) 3.492 1.463 1.463 ! spec=NOESY, no=858, id=855
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   39 and name   HA) 3.351 1.348 1.348 ! spec=NOESY, no=860, id=857
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HG) 2.332 0.653 0.653 ! spec=NOESY, no=862, id=859
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name   HN) 2.842 0.969 0.969 ! spec=NOESY, no=863, id=860
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   31 and name   HN) 2.184 0.573 0.573 ! spec=NOESY, no=864, id=861
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   37 and name   HA) 2.442 0.715 0.715 ! spec=NOESY, no=865, id=862
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   37 and name  HB2) 3.572 1.531 1.531 ! spec=NOESY, no=867, id=864
    or (segid "    " and resid   30 and name   HA) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   37 and name HD21) 3.885 1.812 1.812 ! spec=NOESY, no=868, id=865
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   37 and name HD22) 4.270 2.188 2.188 ! spec=NOESY, no=869, id=866
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   38 and name   HN) 2.849 0.974 0.974 ! spec=NOESY, no=870, id=867
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HA) 2.734 0.897 0.897 ! spec=NOESY, no=872, id=869
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name   HN) 2.495 0.747 0.747 ! spec=NOESY, no=874, id=871
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   31 and name   HN) 3.153 1.193 1.193 ! spec=NOESY, no=875, id=872
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   31 and name   HN)
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD12) 3.249 1.267 1.267 ! spec=NOESY, no=876, id=873
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid    6 and name  HB1) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid    7 and name   HA) 4.679 2.627 2.627 ! spec=NOESY, no=877, id=874
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid    7 and name   HN) 5.306 3.378 3.378 ! spec=NOESY, no=878, id=875
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid    8 and name   HA) 4.563 2.499 2.499 ! spec=NOESY, no=879, id=876
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid    8 and name   HA)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid    8 and name   HN) 4.156 2.073 2.073 ! spec=NOESY, no=880, id=877
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid    8 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid    8 and name   HN)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD12) 3.427 1.410 1.410 ! spec=NOESY, no=881, id=878
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   10 and name   HN) 4.508 2.439 2.439 ! spec=NOESY, no=883, id=879
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   16 and name   HA) 4.847 2.819 2.819 ! spec=NOESY, no=884, id=880
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   16 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   16 and name   HA)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   28 and name  HB1) 4.586 2.524 2.524 ! spec=NOESY, no=885, id=881
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   28 and name  HB2) 4.828 2.797 2.797 ! spec=NOESY, no=886, id=882
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   29 and name   HA) 4.887 2.866 2.866 ! spec=NOESY, no=887, id=883
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   29 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   29 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   29 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   29 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   29 and name   HA)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name   HA) 3.487 1.459 1.459 ! spec=NOESY, no=888, id=884
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD12) 2.407 0.695 0.695 ! spec=NOESY, no=889, id=885
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name HD23)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD12)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD11)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD13)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD22)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD21)
    or (segid "    " and resid   30 and name  HB1) (segid "    " and resid   30 and name HD23)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name   HN) 3.129 1.175 1.175 ! spec=NOESY, no=891, id=887
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   30 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   30 and name   HN)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   31 and name   HN) 3.976 1.897 1.897 ! spec=NOESY, no=892, id=888
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   31 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   31 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   31 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   31 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   31 and name   HN)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   37 and name   HA) 4.718 2.671 2.671 ! spec=NOESY, no=893, id=889
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   37 and name   HA)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   37 and name   HA)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   37 and name   HA)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   37 and name   HA)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   37 and name   HA)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   37 and name   HN) 4.573 2.509 2.509 ! spec=NOESY, no=894, id=890
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   37 and name   HN)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   37 and name   HN)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   37 and name   HN)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   37 and name   HN)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   37 and name   HN)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   37 and name HD21) 4.982 2.978 2.978 ! spec=NOESY, no=895, id=891
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   37 and name HD21)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   37 and name HD21)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   37 and name HD21)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   37 and name HD21)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   37 and name HD21)
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   37 and name HD22) 4.739 2.695 2.695 ! spec=NOESY, no=896, id=892
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   37 and name HD22)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   37 and name HD22)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   37 and name HD22)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   37 and name HD22)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   37 and name HD22)
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   30 and name   HG) 3.566 1.526 1.526 ! spec=NOESY, no=897, id=893
assign (segid "    " and resid   30 and name   HG) (segid "    " and resid   29 and name   HB) 4.947 2.937 2.937 ! spec=NOESY, no=898, id=894
assign (segid "    " and resid   30 and name HD12) (segid "    " and resid   30 and name   HG) 2.209 0.586 0.586 ! spec=NOESY, no=899, id=895
    or (segid "    " and resid   30 and name HD11) (segid "    " and resid   30 and name   HG)
    or (segid "    " and resid   30 and name HD13) (segid "    " and resid   30 and name   HG)
    or (segid "    " and resid   30 and name HD22) (segid "    " and resid   30 and name   HG)
    or (segid "    " and resid   30 and name HD21) (segid "    " and resid   30 and name   HG)
    or (segid "    " and resid   30 and name HD23) (segid "    " and resid   30 and name   HG)
assign (segid "    " and resid   30 and name   HG) (segid "    " and resid   30 and name   HN) 3.180 1.213 1.213 ! spec=NOESY, no=900, id=896
assign (segid "    " and resid   30 and name   HG) (segid "    " and resid   31 and name   HN) 3.482 1.455 1.455 ! spec=NOESY, no=901, id=897
assign (segid "    " and resid   30 and name   HG) (segid "    " and resid   37 and name   HN) 4.329 2.249 2.249 ! spec=NOESY, no=902, id=898
assign (segid "    " and resid   30 and name   HG) (segid "    " and resid   37 and name HD22) 4.107 2.024 2.024 ! spec=NOESY, no=903, id=899
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   10 and name   HN) 3.882 1.809 1.809 ! spec=NOESY, no=904, id=900
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   37 and name   HN) 4.375 2.297 2.297 ! spec=NOESY, no=905, id=901
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name   HN) 2.686 0.866 0.866 ! spec=NOESY, no=907, id=902
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   31 and name  HA2) 1.661 0.331 0.331 ! spec=NOESY, no=909, id=903
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   31 and name   HN) 2.104 0.531 0.531 ! spec=NOESY, no=910, id=904
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   32 and name   HN) 2.798 0.939 0.939 ! spec=NOESY, no=911, id=905
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   35 and name  HB1) 3.528 1.493 1.493 ! spec=NOESY, no=913, id=906
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HN) 3.617 1.570 1.570 ! spec=NOESY, no=914, id=907
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name   HN) 2.631 0.831 0.831 ! spec=NOESY, no=915, id=908
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HN) 2.532 0.769 0.769 ! spec=NOESY, no=917, id=910
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   35 and name   HN) 3.528 1.493 1.493 ! spec=NOESY, no=919, id=911
assign (segid "    " and resid   32 and name  HD1) (segid "    " and resid   31 and name  HA2) 4.065 1.983 1.983 ! spec=NOESY, no=920, id=912
assign (segid "    " and resid   32 and name  HD1) (segid "    " and resid   32 and name   HE) 2.446 0.718 0.718 ! spec=NOESY, no=921, id=913
assign (segid "    " and resid   32 and name  HD1) (segid "    " and resid   32 and name   HN) 4.134 2.050 2.050 ! spec=NOESY, no=922, id=914
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   32 and name  HD1) 2.422 0.704 0.704 ! spec=NOESY, no=923, id=915
    or (segid "    " and resid   32 and name  HG1) (segid "    " and resid   32 and name  HD1)
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   32 and name   HN) 3.427 1.410 1.410 ! spec=NOESY, no=924, id=916
    or (segid "    " and resid   32 and name  HG1) (segid "    " and resid   32 and name   HN)
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   33 and name   HN) 3.512 1.480 1.480 ! spec=NOESY, no=925, id=917
    or (segid "    " and resid   32 and name  HG1) (segid "    " and resid   33 and name   HN)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   35 and name   HN) 3.502 1.472 1.472 ! spec=NOESY, no=928, id=919
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   36 and name   HN) 3.566 1.526 1.526 ! spec=NOESY, no=929, id=920
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   33 and name   HN) 2.422 0.704 0.704 ! spec=NOESY, no=931, id=921
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   34 and name   HN) 2.422 0.704 0.704 ! spec=NOESY, no=932, id=922
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   33 and name   HN) 2.422 0.704 0.704 ! spec=NOESY, no=934, id=923
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   34 and name   HN) 2.801 0.942 0.942 ! spec=NOESY, no=935, id=924
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name   HN) 2.713 0.883 0.883 ! spec=NOESY, no=940, id=926
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   34 and name   HN) 2.989 1.072 1.072 ! spec=NOESY, no=942, id=927
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   35 and name   HN) 3.639 1.589 1.589 ! spec=NOESY, no=943, id=928
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name  HB1) 2.438 0.713 0.713 ! spec=NOESY, no=946, id=930
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   35 and name   HN) 2.585 0.802 0.802 ! spec=NOESY, no=947, id=931
assign (segid "    " and resid   35 and name   HA) (segid "    " and resid   36 and name   HN) 2.273 0.620 0.620 ! spec=NOESY, no=948, id=932
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   31 and name  HA2) 4.809 2.775 2.775 ! spec=NOESY, no=950, id=933
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   31 and name  HA1) 5.097 3.118 3.118 ! spec=NOESY, no=951, id=934
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   31 and name   HN) 4.405 2.328 2.328 ! spec=NOESY, no=952, id=935
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   32 and name   HN) 3.319 1.322 1.322 ! spec=NOESY, no=953, id=936
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name   HN) 3.006 1.084 1.084 ! spec=NOESY, no=954, id=937
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   36 and name   HN) 3.419 1.403 1.403 ! spec=NOESY, no=955, id=938
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   32 and name   HN) 3.355 1.351 1.351 ! spec=NOESY, no=957, id=939
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   35 and name   HN) 2.956 1.048 1.048 ! spec=NOESY, no=959, id=941
assign (segid "    " and resid   35 and name  HB1) (segid "    " and resid   36 and name   HN) 3.512 1.480 1.480 ! spec=NOESY, no=960, id=942
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HA) 3.118 1.166 1.166 ! spec=NOESY, no=962, id=943
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HN) 2.446 0.718 0.718 ! spec=NOESY, no=963, id=944
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   36 and name   HN) 3.188 1.219 1.219 ! spec=NOESY, no=964, id=945
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   30 and name   HG) 4.405 2.328 2.328 ! spec=NOESY, no=967, id=947
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name   HN) 2.442 0.715 0.715 ! spec=NOESY, no=968, id=948
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   37 and name   HN) 2.769 0.920 0.920 ! spec=NOESY, no=969, id=949
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   31 and name   HN) 4.051 1.970 1.970 ! spec=NOESY, no=970, id=950
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   32 and name   HN) 4.893 2.873 2.873 ! spec=NOESY, no=971, id=951
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name   HN) 2.956 1.048 1.048 ! spec=NOESY, no=972, id=952
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   37 and name   HN) 3.240 1.260 1.260 ! spec=NOESY, no=973, id=953
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   30 and name   HG) 4.795 2.759 2.759 ! spec=NOESY, no=974, id=954
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   32 and name   HN) 4.420 2.344 2.344 ! spec=NOESY, no=976, id=955
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   37 and name   HN) 3.022 1.096 1.096 ! spec=NOESY, no=977, id=956
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   32 and name   HN) 4.941 2.930 2.930 ! spec=NOESY, no=978, id=957
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HB2) 3.063 1.126 1.126 ! spec=NOESY, no=980, id=959
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   35 and name  HB2) 4.312 2.231 2.231 ! spec=NOESY, no=981, id=960
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name   HN) 2.951 1.045 1.045 ! spec=NOESY, no=982, id=961
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   37 and name   HN) 3.821 1.752 1.752 ! spec=NOESY, no=983, id=962
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HD2) 3.468 1.443 1.443 ! spec=NOESY, no=986, id=963
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HD1) 3.129 1.175 1.175 ! spec=NOESY, no=987, id=964
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   37 and name   HN) 2.446 0.718 0.718 ! spec=NOESY, no=988, id=965
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   10 and name   HN) 4.814 2.781 2.781 ! spec=NOESY, no=989, id=966
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   28 and name  HB1) 4.160 2.076 2.076 ! spec=NOESY, no=990, id=967
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   31 and name   HN) 3.842 1.772 1.772 ! spec=NOESY, no=991, id=968
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   36 and name  HD2) 4.517 2.448 2.448 ! spec=NOESY, no=992, id=969
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB2) 2.736 0.898 0.898 ! spec=NOESY, no=993, id=970
    or (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB1)
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name   HN) 2.602 0.813 0.813 ! spec=NOESY, no=994, id=971
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   38 and name   HN) 2.145 0.552 0.552 ! spec=NOESY, no=995, id=972
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   37 and name   HN) 2.353 0.665 0.665 ! spec=NOESY, no=996, id=973
    or (segid "    " and resid   37 and name  HB1) (segid "    " and resid   37 and name   HN)
assign (segid "    " and resid   37 and name  HB2) (segid "    " and resid   38 and name   HN) 3.243 1.262 1.262 ! spec=NOESY, no=998, id=975
    or (segid "    " and resid   37 and name  HB1) (segid "    " and resid   38 and name   HN)
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   35 and name   HA) 3.167 1.204 1.204 ! spec=NOESY, no=999, id=976
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HD21) 3.861 1.789 1.789 ! spec=NOESY, no=1000, id=977
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name HD22) 4.033 1.952 1.952 ! spec=NOESY, no=1001, id=978
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 3.252 1.269 1.269 ! spec=NOESY, no=1002, id=979
assign (segid "    " and resid   37 and name HD21) (segid "    " and resid   16 and name   HA) 2.989 1.072 1.072 ! spec=NOESY, no=1003, id=980
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   37 and name HD22) 4.057 1.975 1.975 ! spec=NOESY, no=1004, id=981
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB2) 2.449 0.720 0.720 ! spec=NOESY, no=1005, id=982
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB1) 2.593 0.807 0.807 ! spec=NOESY, no=1006, id=983
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HG1) 2.923 1.025 1.025 ! spec=NOESY, no=1007, id=984
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HG2) 2.971 1.059 1.059 ! spec=NOESY, no=1008, id=985
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name HE22) 3.386 1.376 1.376 ! spec=NOESY, no=1009, id=986
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   39 and name   HA) 3.249 1.267 1.267 ! spec=NOESY, no=1010, id=987
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   39 and name   HN) 1.992 0.476 0.476 ! spec=NOESY, no=1011, id=988
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   40 and name HG12) 5.140 3.171 3.171 ! spec=NOESY, no=1012, id=989
    or (segid "    " and resid   38 and name   HA) (segid "    " and resid   40 and name HG11)
    or (segid "    " and resid   38 and name   HA) (segid "    " and resid   40 and name HG13)
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   37 and name   HN) 3.502 1.472 1.472 ! spec=NOESY, no=1014, id=991
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HB1) 1.868 0.419 0.419 ! spec=NOESY, no=1015, id=992
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   39 and name   HN) 3.024 1.097 1.097 ! spec=NOESY, no=1016, id=993
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   30 and name   HA) 4.182 2.099 2.099 ! spec=NOESY, no=1017, id=994
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   38 and name   HN) 2.335 0.654 0.654 ! spec=NOESY, no=1018, id=995
assign (segid "    " and resid   38 and name  HB1) (segid "    " and resid   39 and name   HN) 3.011 1.088 1.088 ! spec=NOESY, no=1019, id=996
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   38 and name  HB1) 2.415 0.700 0.700 ! spec=NOESY, no=1020, id=997
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   38 and name HE22) 3.145 1.187 1.187 ! spec=NOESY, no=1021, id=998
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   38 and name HE21) 2.773 0.923 0.923 ! spec=NOESY, no=1022, id=999
assign (segid "    " and resid   38 and name  HG1) (segid "    " and resid   40 and name HG22) 3.779 1.713 1.713 ! spec=NOESY, no=1023, id=1000
    or (segid "    " and resid   38 and name  HG1) (segid "    " and resid   40 and name HG21)
    or (segid "    " and resid   38 and name  HG1) (segid "    " and resid   40 and name HG23)
assign (segid "    " and resid   38 and name  HG2) (segid "    " and resid   38 and name HE22) 2.976 1.063 1.063 ! spec=NOESY, no=1024, id=1001
assign (segid "    " and resid   38 and name  HG2) (segid "    " and resid   38 and name HE21) 2.840 0.968 0.968 ! spec=NOESY, no=1025, id=1002
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   38 and name   HN) 2.264 0.615 0.615 ! spec=NOESY, no=1026, id=1003
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   31 and name   HN) 4.256 2.174 2.174 ! spec=NOESY, no=1027, id=1004
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB2) 2.825 0.958 0.958 ! spec=NOESY, no=1028, id=1005
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HG2) 3.572 1.531 1.531 ! spec=NOESY, no=1030, id=1007
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   39 and name   HN) 3.359 1.354 1.354 ! spec=NOESY, no=1031, id=1008
assign (segid "    " and resid   38 and name HE21) (segid "    " and resid   38 and name HE22) 1.911 0.438 0.438 ! spec=NOESY, no=1032, id=1009
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   22 and name  HB2) 3.681 1.626 1.626 ! spec=NOESY, no=1033, id=1010
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   26 and name   HA) 4.142 2.058 2.058 ! spec=NOESY, no=1034, id=1011
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   28 and name  HB2) 3.578 1.536 1.536 ! spec=NOESY, no=1035, id=1012
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB1) 2.366 0.672 0.672 ! spec=NOESY, no=1036, id=1013
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name   HN) 2.252 0.609 0.609 ! spec=NOESY, no=1037, id=1014
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG22) 4.436 2.361 2.361 ! spec=NOESY, no=1038, id=1015
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG21)
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG23)
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG12) 4.122 2.039 2.039 ! spec=NOESY, no=1039, id=1016
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG11)
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name HG13)
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   40 and name   HN) 2.205 0.584 0.584 ! spec=NOESY, no=1040, id=1017
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   39 and name  HB2) 2.028 0.493 0.493 ! spec=NOESY, no=1041, id=1018
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   39 and name   HN) 2.678 0.861 0.861 ! spec=NOESY, no=1042, id=1019
assign (segid "    " and resid   39 and name  HB1) (segid "    " and resid   40 and name   HN) 3.578 1.536 1.536 ! spec=NOESY, no=1043, id=1020
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   39 and name   HA) 2.296 0.633 0.633 ! spec=NOESY, no=1044, id=1021
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   39 and name   HN) 2.695 0.871 0.871 ! spec=NOESY, no=1046, id=1023
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   17 and name  HG2) 4.148 2.065 2.065 ! spec=NOESY, no=1047, id=1024
    or (segid "    " and resid   39 and name   HN) (segid "    " and resid   17 and name  HG1)
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   29 and name   HN) 3.873 1.800 1.800 ! spec=NOESY, no=1048, id=1025
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name  HG2) 3.010 1.087 1.087 ! spec=NOESY, no=1049, id=1026
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   40 and name   HB) 3.754 1.691 1.691 ! spec=NOESY, no=1050, id=1027
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   40 and name   HN) 3.165 1.202 1.202 ! spec=NOESY, no=1051, id=1028
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   26 and name  HB2) 5.291 3.360 3.360 ! spec=NOESY, no=1052, id=1029
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   27 and name   HA) 4.773 2.734 2.734 ! spec=NOESY, no=1053, id=1030
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name   HB) 2.281 0.624 0.624 ! spec=NOESY, no=1054, id=1031
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name   HN) 2.669 0.855 0.855 ! spec=NOESY, no=1055, id=1032
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   41 and name   HN) 2.198 0.580 0.580 ! spec=NOESY, no=1056, id=1033
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   42 and name   HN) 4.019 1.938 1.938 ! spec=NOESY, no=1057, id=1034
assign (segid "    " and resid   40 and name   HB) (segid "    " and resid   40 and name   HN) 1.944 0.453 0.453 ! spec=NOESY, no=1058, id=1035
assign (segid "    " and resid   40 and name   HB) (segid "    " and resid   41 and name   HN) 2.984 1.069 1.069 ! spec=NOESY, no=1059, id=1036
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   26 and name   HA) 4.690 2.640 2.640 ! spec=NOESY, no=1060, id=1037
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   26 and name   HA)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   27 and name   HN) 4.140 2.057 2.057 ! spec=NOESY, no=1061, id=1038
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   27 and name   HN)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   27 and name   HN)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   29 and name   HN) 5.140 3.171 3.171 ! spec=NOESY, no=1062, id=1039
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   29 and name   HN)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   40 and name   HA) 4.138 2.055 2.055 ! spec=NOESY, no=1063, id=1040
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   40 and name   HA)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   40 and name   HA)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   40 and name   HB) 2.213 0.588 0.588 ! spec=NOESY, no=1064, id=1041
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   40 and name   HB)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   40 and name   HB)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   40 and name   HN) 3.463 1.439 1.439 ! spec=NOESY, no=1065, id=1042
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   40 and name   HN)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   40 and name   HN)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   41 and name   HB) 4.286 2.205 2.205 ! spec=NOESY, no=1066, id=1043
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   41 and name   HB)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   41 and name   HB)
assign (segid "    " and resid   40 and name HG22) (segid "    " and resid   41 and name   HN) 2.692 0.870 0.870 ! spec=NOESY, no=1068, id=1045
    or (segid "    " and resid   40 and name HG21) (segid "    " and resid   41 and name   HN)
    or (segid "    " and resid   40 and name HG23) (segid "    " and resid   41 and name   HN)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   28 and name   HA) 4.211 2.127 2.127 ! spec=NOESY, no=1069, id=1046
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   28 and name   HA)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   28 and name   HA)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   29 and name   HN) 4.077 1.995 1.995 ! spec=NOESY, no=1070, id=1047
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   29 and name   HN)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   29 and name   HN)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   38 and name  HB2) 5.178 3.218 3.218 ! spec=NOESY, no=1071, id=1048
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   38 and name  HB2)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   38 and name  HB2)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   38 and name  HB1) 4.385 2.307 2.307 ! spec=NOESY, no=1072, id=1049
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   38 and name  HB1)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   38 and name  HB1)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   39 and name   HN) 4.925 2.910 2.910 ! spec=NOESY, no=1073, id=1050
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   39 and name   HN)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   39 and name   HN)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   40 and name   HA) 2.941 1.038 1.038 ! spec=NOESY, no=1074, id=1051
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   40 and name   HA)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   40 and name   HA)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   40 and name   HB) 2.184 0.573 0.573 ! spec=NOESY, no=1075, id=1052
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   40 and name   HB)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   40 and name   HB)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   40 and name   HN) 3.382 1.373 1.373 ! spec=NOESY, no=1076, id=1053
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   40 and name   HN)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   40 and name   HN)
assign (segid "    " and resid   40 and name HG12) (segid "    " and resid   41 and name   HN) 2.775 0.924 0.924 ! spec=NOESY, no=1077, id=1054
    or (segid "    " and resid   40 and name HG11) (segid "    " and resid   41 and name   HN)
    or (segid "    " and resid   40 and name HG13) (segid "    " and resid   41 and name   HN)
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   27 and name  HB2) 3.572 1.531 1.531 ! spec=NOESY, no=1078, id=1055
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   27 and name  HB1)
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   29 and name   HN) 3.497 1.468 1.468 ! spec=NOESY, no=1079, id=1056
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   41 and name   HN) 3.427 1.410 1.410 ! spec=NOESY, no=1080, id=1057
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   41 and name   HA) 2.094 0.526 0.526 ! spec=NOESY, no=1081, id=1058
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   27 and name   HN) 2.897 1.007 1.007 ! spec=NOESY, no=1082, id=1059
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name HG21) 2.207 0.585 0.585 ! spec=NOESY, no=1083, id=1060
    or (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name HG22)
    or (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name HG23)
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   41 and name   HN) 2.291 0.630 0.630 ! spec=NOESY, no=1084, id=1061
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   42 and name   HN) 2.126 0.542 0.542 ! spec=NOESY, no=1085, id=1062
assign (segid "    " and resid   41 and name   HA) (segid "    " and resid   43 and name   HN) 3.990 1.911 1.911 ! spec=NOESY, no=1086, id=1063
assign (segid "    " and resid   41 and name   HB) (segid "    " and resid   26 and name   HN) 4.385 2.307 2.307 ! spec=NOESY, no=1087, id=1064
assign (segid "    " and resid   41 and name   HB) (segid "    " and resid   41 and name   HA) 2.925 1.026 1.026 ! spec=NOESY, no=1088, id=1065
assign (segid "    " and resid   41 and name   HB) (segid "    " and resid   41 and name   HN) 3.107 1.158 1.158 ! spec=NOESY, no=1089, id=1066
assign (segid "    " and resid   41 and name   HB) (segid "    " and resid   42 and name   HN) 3.138 1.182 1.182 ! spec=NOESY, no=1090, id=1067
assign (segid "    " and resid   41 and name HG21) (segid "    " and resid   26 and name HD22) 5.083 3.101 3.101 ! spec=NOESY, no=1091, id=1068
    or (segid "    " and resid   41 and name HG22) (segid "    " and resid   26 and name HD22)
    or (segid "    " and resid   41 and name HG23) (segid "    " and resid   26 and name HD22)
assign (segid "    " and resid   41 and name HG21) (segid "    " and resid   40 and name   HA) 4.161 2.078 2.078 ! spec=NOESY, no=1092, id=1069
    or (segid "    " and resid   41 and name HG22) (segid "    " and resid   40 and name   HA)
    or (segid "    " and resid   41 and name HG23) (segid "    " and resid   40 and name   HA)
assign (segid "    " and resid   41 and name HG21) (segid "    " and resid   41 and name   HB) 2.475 0.735 0.735 ! spec=NOESY, no=1093, id=1070
    or (segid "    " and resid   41 and name HG22) (segid "    " and resid   41 and name   HB)
    or (segid "    " and resid   41 and name HG23) (segid "    " and resid   41 and name   HB)
assign (segid "    " and resid   41 and name HG21) (segid "    " and resid   41 and name   HN) 3.148 1.189 1.189 ! spec=NOESY, no=1094, id=1071
    or (segid "    " and resid   41 and name HG22) (segid "    " and resid   41 and name   HN)
    or (segid "    " and resid   41 and name HG23) (segid "    " and resid   41 and name   HN)
assign (segid "    " and resid   41 and name HG21) (segid "    " and resid   42 and name   HN) 3.590 1.546 1.546 ! spec=NOESY, no=1095, id=1072
    or (segid "    " and resid   41 and name HG22) (segid "    " and resid   42 and name   HN)
    or (segid "    " and resid   41 and name HG23) (segid "    " and resid   42 and name   HN)
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   26 and name   HA) 3.683 1.628 1.628 ! spec=NOESY, no=1096, id=1073
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   42 and name  HA1) 2.301 0.636 0.636 ! spec=NOESY, no=1097, id=1074
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   42 and name   HN) 2.718 0.886 0.886 ! spec=NOESY, no=1098, id=1075
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name  HG1) 4.065 1.983 1.983 ! spec=NOESY, no=1099, id=1076
assign (segid "    " and resid   42 and name  HA2) (segid "    " and resid   43 and name   HN) 2.740 0.901 0.901 ! spec=NOESY, no=1100, id=1077
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   42 and name   HN) 2.589 0.804 0.804 ! spec=NOESY, no=1101, id=1078
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   43 and name   HA) 3.299 1.306 1.306 ! spec=NOESY, no=1102, id=1079
assign (segid "    " and resid   42 and name  HA1) (segid "    " and resid   43 and name   HN) 2.710 0.881 0.881 ! spec=NOESY, no=1103, id=1080
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   26 and name   HN) 3.555 1.517 1.517 ! spec=NOESY, no=1105, id=1082
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   12 and name HD22) 3.195 1.225 1.225 ! spec=NOESY, no=1106, id=1083
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HG1) 3.273 1.286 1.286 ! spec=NOESY, no=1107, id=1084
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name  HG2) 3.306 1.311 1.311 ! spec=NOESY, no=1108, id=1085
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name   HN) 2.470 0.732 0.732 ! spec=NOESY, no=1109, id=1086
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name   HA) 2.115 0.537 0.537 ! spec=NOESY, no=1111, id=1088
    or (segid "    " and resid   43 and name  HB1) (segid "    " and resid   43 and name   HA)
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   43 and name   HN) 2.976 1.063 1.063 ! spec=NOESY, no=1112, id=1089
    or (segid "    " and resid   43 and name  HB1) (segid "    " and resid   43 and name   HN)
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   44 and name   HN) 3.487 1.459 1.459 ! spec=NOESY, no=1113, id=1090
    or (segid "    " and resid   43 and name  HB1) (segid "    " and resid   44 and name   HN)
assign (segid "    " and resid   43 and name  HG1) (segid "    " and resid   43 and name   HN) 3.088 1.144 1.144 ! spec=NOESY, no=1114, id=1091
assign (segid "    " and resid   43 and name  HG2) (segid "    " and resid   43 and name   HN) 3.085 1.142 1.142 ! spec=NOESY, no=1115, id=1092
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   25 and name   HN) 4.415 2.339 2.339 ! spec=NOESY, no=1116, id=1093
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   27 and name  HD2) 3.544 1.507 1.507 ! spec=NOESY, no=1117, id=1094
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   44 and name   HN) 3.040 1.109 1.109 ! spec=NOESY, no=1119, id=1096
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   12 and name HD21) 3.394 1.382 1.382 ! spec=NOESY, no=1120, id=1097
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   12 and name HD22) 4.538 2.471 2.471 ! spec=NOESY, no=1121, id=1098
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   27 and name  HG1) 3.113 1.163 1.163 ! spec=NOESY, no=1122, id=1099
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   27 and name  HG2) 7.366 6.510 6.510 ! spec=NOESY, no=1123, id=1100
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   44 and name  HA1) 3.701 1.644 1.644 ! spec=NOESY, no=1124, id=1101
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   28 and name   HN) 4.397 2.320 2.320 ! spec=NOESY, no=1125, id=1102
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   44 and name  HA2) 2.050 0.504 0.504 ! spec=NOESY, no=1126, id=1103
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   44 and name   HN) 2.468 0.731 0.731 ! spec=NOESY, no=1127, id=1104
assign (segid "    " and resid   44 and name  HA1) (segid "    " and resid   45 and name   HN) 2.234 0.599 0.599 ! spec=NOESY, no=1128, id=1105
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   12 and name HD21) 3.209 1.236 1.236 ! spec=NOESY, no=1129, id=1106
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   12 and name HD22) 3.220 1.244 1.244 ! spec=NOESY, no=1130, id=1107
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   27 and name  HG1) 3.374 1.366 1.366 ! spec=NOESY, no=1131, id=1108
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   27 and name  HG2) 3.406 1.392 1.392 ! spec=NOESY, no=1132, id=1109
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   44 and name   HN) 2.369 0.674 0.674 ! spec=NOESY, no=1133, id=1110
assign (segid "    " and resid   44 and name  HA2) (segid "    " and resid   45 and name   HN) 2.509 0.755 0.755 ! spec=NOESY, no=1134, id=1111
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   12 and name   HN) 4.187 2.104 2.104 ! spec=NOESY, no=1135, id=1112
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   12 and name HD21) 2.490 0.744 0.744 ! spec=NOESY, no=1136, id=1113
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   12 and name HD22) 2.186 0.574 0.574 ! spec=NOESY, no=1137, id=1114
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   44 and name   HN) 1.975 0.468 0.468 ! spec=NOESY, no=1138, id=1115
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name   HN) 2.986 1.070 1.070 ! spec=NOESY, no=1139, id=1116
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   11 and name   HN) 4.743 2.699 2.699 ! spec=NOESY, no=1140, id=1117
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name HG21) 3.243 1.262 1.262 ! spec=NOESY, no=1141, id=1118
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name HG22)
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name HG23)
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   45 and name   HN) 2.389 0.685 0.685 ! spec=NOESY, no=1142, id=1119
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   46 and name  HG2) 4.101 2.018 2.018 ! spec=NOESY, no=1143, id=1120
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   45 and name   HN) 2.785 0.930 0.930 ! spec=NOESY, no=1144, id=1121
assign (segid "    " and resid   45 and name   HB) (segid "    " and resid   47 and name   HN) 4.134 2.050 2.050 ! spec=NOESY, no=1145, id=1122
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   45 and name   HB) 2.752 0.909 0.909 ! spec=NOESY, no=1146, id=1123
    or (segid "    " and resid   45 and name HG22) (segid "    " and resid   45 and name   HB)
    or (segid "    " and resid   45 and name HG23) (segid "    " and resid   45 and name   HB)
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   45 and name   HN) 3.454 1.432 1.432 ! spec=NOESY, no=1147, id=1124
    or (segid "    " and resid   45 and name HG22) (segid "    " and resid   45 and name   HN)
    or (segid "    " and resid   45 and name HG23) (segid "    " and resid   45 and name   HN)
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   46 and name  HD1) 2.711 0.882 0.882 ! spec=NOESY, no=1148, id=1125
    or (segid "    " and resid   45 and name HG22) (segid "    " and resid   46 and name  HD1)
    or (segid "    " and resid   45 and name HG23) (segid "    " and resid   46 and name  HD1)
assign (segid "    " and resid   45 and name HG21) (segid "    " and resid   47 and name   HN) 5.111 3.135 3.135 ! spec=NOESY, no=1149, id=1126
    or (segid "    " and resid   45 and name HG22) (segid "    " and resid   47 and name   HN)
    or (segid "    " and resid   45 and name HG23) (segid "    " and resid   47 and name   HN)
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   11 and name HE21) 4.383 2.305 2.305 ! spec=NOESY, no=1151, id=1128
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   45 and name   HN) 3.507 1.476 1.476 ! spec=NOESY, no=1153, id=1130
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name  HG1) 2.479 0.737 0.737 ! spec=NOESY, no=1154, id=1131
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   47 and name   HN) 2.115 0.537 0.537 ! spec=NOESY, no=1155, id=1132
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   46 and name   HA) 2.083 0.521 0.521 ! spec=NOESY, no=1156, id=1133
assign (segid "    " and resid   46 and name  HB1) (segid "    " and resid   47 and name   HN) 3.363 1.357 1.357 ! spec=NOESY, no=1157, id=1134
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   46 and name   HA) 2.502 0.751 0.751 ! spec=NOESY, no=1159, id=1135
assign (segid "    " and resid   46 and name  HB2) (segid "    " and resid   47 and name   HN) 3.165 1.202 1.202 ! spec=NOESY, no=1160, id=1136
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   45 and name   HA) 2.415 0.700 0.700 ! spec=NOESY, no=1161, id=1137
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name   HA) 3.650 1.599 1.599 ! spec=NOESY, no=1163, id=1139
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name  HB1) 3.398 1.386 1.386 ! spec=NOESY, no=1164, id=1140
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   46 and name  HB2) 3.578 1.536 1.536 ! spec=NOESY, no=1165, id=1141
assign (segid "    " and resid   46 and name  HD1) (segid "    " and resid   47 and name   HN) 4.108 2.025 2.025 ! spec=NOESY, no=1166, id=1142
assign (segid "    " and resid   46 and name  HD2) (segid "    " and resid   45 and name   HA) 2.159 0.560 0.560 ! spec=NOESY, no=1167, id=1143
assign (segid "    " and resid   46 and name  HD2) (segid "    " and resid   45 and name HG21) 2.827 0.959 0.959 ! spec=NOESY, no=1168, id=1144
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   45 and name HG22)
    or (segid "    " and resid   46 and name  HD2) (segid "    " and resid   45 and name HG23)
assign (segid "    " and resid   46 and name  HD2) (segid "    " and resid   46 and name   HA) 3.129 1.175 1.175 ! spec=NOESY, no=1169, id=1145
assign (segid "    " and resid   46 and name  HG2) (segid "    " and resid   46 and name  HD1) 3.337 1.336 1.336 ! spec=NOESY, no=1170, id=1146
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   11 and name   HA) 4.694 2.644 2.644 ! spec=NOESY, no=1171, id=1147
assign (segid "    " and resid   11 and name  HG2) (segid "    " and resid   47 and name   HA) 2.978 1.064 1.064 ! spec=NOESY, no=1172, id=1148
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   11 and name HE21) 3.280 1.291 1.291 ! spec=NOESY, no=1173, id=1149
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   11 and name HE22) 2.919 1.022 1.022 ! spec=NOESY, no=1174, id=1150
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB2) 2.758 0.913 0.913 ! spec=NOESY, no=1175, id=1151
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 2.506 0.754 0.754 ! spec=NOESY, no=1176, id=1152
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HD1) 3.333 1.333 1.333 ! spec=NOESY, no=1177, id=1153
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name   HN) 2.597 0.809 0.809 ! spec=NOESY, no=1178, id=1154
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   49 and name   HN) 4.347 2.268 2.268 ! spec=NOESY, no=1179, id=1155
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   14 and name  HB2) 3.533 1.498 1.498 ! spec=NOESY, no=1180, id=1156
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   14 and name  HB1) 3.584 1.541 1.541 ! spec=NOESY, no=1181, id=1157
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name   HN) 3.578 1.536 1.536 ! spec=NOESY, no=1182, id=1158
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   14 and name  HB2) 3.555 1.517 1.517 ! spec=NOESY, no=1183, id=1159
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   14 and name  HB1) 3.561 1.521 1.521 ! spec=NOESY, no=1184, id=1160
assign (segid "    " and resid   47 and name  HB1) (segid "    " and resid   47 and name   HN) 2.470 0.732 0.732 ! spec=NOESY, no=1185, id=1161
assign (segid "    " and resid   47 and name  HD2) (segid "    " and resid    6 and name  HB1) 3.877 1.804 1.804 ! spec=NOESY, no=1187, id=1163
assign (segid "    " and resid   47 and name  HE1) (segid "    " and resid   47 and name  HB2) 3.544 1.507 1.507 ! spec=NOESY, no=1189, id=1165
assign (segid "    " and resid   47 and name  HE1) (segid "    " and resid   47 and name  HB1) 3.333 1.333 1.333 ! spec=NOESY, no=1190, id=1166
assign (segid "    " and resid   47 and name  HE1) (segid "    " and resid   47 and name  HD1) 2.716 0.885 0.885 ! spec=NOESY, no=1191, id=1167
assign (segid "    " and resid   47 and name  HE1) (segid "    " and resid   47 and name  HD2) 3.094 1.149 1.149 ! spec=NOESY, no=1192, id=1168
assign (segid "    " and resid   47 and name  HE1) (segid "    " and resid   47 and name  HG2) 2.777 0.925 0.925 ! spec=NOESY, no=1193, id=1169
assign (segid "    " and resid   11 and name HE21) (segid "    " and resid   47 and name  HE2) 3.299 1.306 1.306 ! spec=NOESY, no=1194, id=1170
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HG1) 2.953 1.046 1.046 ! spec=NOESY, no=1195, id=1171
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name  HG2) 3.578 1.536 1.536 ! spec=NOESY, no=1196, id=1172
assign (segid "    " and resid   47 and name  HE2) (segid "    " and resid   47 and name   HN) 4.182 2.099 2.099 ! spec=NOESY, no=1197, id=1173
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid    7 and name   HN) 3.802 1.735 1.735 ! spec=NOESY, no=1198, id=1174
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid   47 and name   HA) 3.042 1.111 1.111 ! spec=NOESY, no=1199, id=1175
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid   47 and name   HN) 3.170 1.206 1.206 ! spec=NOESY, no=1200, id=1176
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid   48 and name  HD1) 3.645 1.595 1.595 ! spec=NOESY, no=1201, id=1177
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid   48 and name  HD2) 3.348 1.345 1.345 ! spec=NOESY, no=1202, id=1178
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   11 and name  HB1) 3.378 1.369 1.369 ! spec=NOESY, no=1203, id=1179
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name   HA) 2.411 0.697 0.697 ! spec=NOESY, no=1204, id=1180
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name   HN) 3.209 1.236 1.236 ! spec=NOESY, no=1205, id=1181
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   48 and name  HD1) 3.243 1.262 1.262 ! spec=NOESY, no=1206, id=1182
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   12 and name   HN) 4.095 2.012 2.012 ! spec=NOESY, no=1208, id=1184
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   14 and name   HN) 5.269 3.332 3.332 ! spec=NOESY, no=1209, id=1185
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   47 and name   HN) 3.845 1.774 1.774 ! spec=NOESY, no=1210, id=1186
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HB1) 2.301 0.636 0.636 ! spec=NOESY, no=1211, id=1187
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   48 and name  HB2) 2.582 0.800 0.800 ! spec=NOESY, no=1212, id=1188
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   49 and name  HG1) 3.067 1.129 1.129 ! spec=NOESY, no=1213, id=1189
assign (segid "    " and resid   48 and name   HA) (segid "    " and resid   49 and name   HN) 2.350 0.663 0.663 ! spec=NOESY, no=1214, id=1190
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   48 and name  HD1) 3.348 1.345 1.345 ! spec=NOESY, no=1215, id=1191
assign (segid "    " and resid   48 and name  HB1) (segid "    " and resid   49 and name   HN) 2.469 0.732 0.732 ! spec=NOESY, no=1216, id=1192
assign (segid "    " and resid   48 and name  HB2) (segid "    " and resid   48 and name  HD1) 3.172 1.208 1.208 ! spec=NOESY, no=1217, id=1193
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   11 and name HE21) 3.273 1.286 1.286 ! spec=NOESY, no=1218, id=1194
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   11 and name HE22) 3.673 1.619 1.619 ! spec=NOESY, no=1219, id=1195
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   47 and name   HA) 2.593 0.807 0.807 ! spec=NOESY, no=1220, id=1196
assign (segid "    " and resid   48 and name  HD1) (segid "    " and resid   48 and name   HA) 3.539 1.503 1.503 ! spec=NOESY, no=1221, id=1197
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   11 and name HE21) 3.572 1.531 1.531 ! spec=NOESY, no=1222, id=1198
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   11 and name HE22) 3.299 1.306 1.306 ! spec=NOESY, no=1223, id=1199
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   47 and name   HA) 2.074 0.516 0.516 ! spec=NOESY, no=1224, id=1200
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   47 and name  HG2) 2.901 1.010 1.010 ! spec=NOESY, no=1225, id=1201
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name  HB1) 3.035 1.105 1.105 ! spec=NOESY, no=1226, id=1202
assign (segid "    " and resid   48 and name  HD2) (segid "    " and resid   48 and name  HB2) 2.944 1.040 1.040 ! spec=NOESY, no=1227, id=1203
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   48 and name  HD1) 2.654 0.845 0.845 ! spec=NOESY, no=1228, id=1204
assign (segid "    " and resid   48 and name  HG2) (segid "    " and resid   48 and name  HD2) 3.088 1.144 1.144 ! spec=NOESY, no=1229, id=1205
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name   HN) 2.291 0.630 0.630 ! spec=NOESY, no=1230, id=1206
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   50 and name   HN) 3.100 1.153 1.153 ! spec=NOESY, no=1231, id=1207
assign (segid "    " and resid   49 and name  HB1) (segid "    " and resid   49 and name   HN) 3.595 1.551 1.551 ! spec=NOESY, no=1232, id=1208
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name   HA) 2.592 0.806 0.806 ! spec=NOESY, no=1234, id=1210
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name   HN) 2.906 1.014 1.014 ! spec=NOESY, no=1235, id=1211
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name   HN) 3.073 1.133 1.133 ! spec=NOESY, no=1237, id=1213
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   50 and name   HA) 3.344 1.342 1.342 ! spec=NOESY, no=1238, id=1214
assign (segid "    " and resid   49 and name  HG2) (segid "    " and resid   49 and name   HN) 3.201 1.229 1.229 ! spec=NOESY, no=1239, id=1215
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name  HB2) 3.160 1.198 1.198 ! spec=NOESY, no=1240, id=1216
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   49 and name   HN) 3.312 1.317 1.317 ! spec=NOESY, no=1241, id=1217
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   51 and name   HN) 4.862 2.837 2.837 ! spec=NOESY, no=1242, id=1218
assign (segid "    " and resid   50 and name  HB2) (segid "    " and resid   51 and name   HN) 4.115 2.032 2.032 ! spec=NOESY, no=1243, id=1219
    or (segid "    " and resid   50 and name  HB1) (segid "    " and resid   51 and name   HN)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HN) 2.048 0.503 0.503 ! spec=NOESY, no=1244, id=1220
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name HE22) 5.104 3.126 3.126 ! spec=NOESY, no=1245, id=1221
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   52 and name  HB2) 3.945 1.867 1.867 ! spec=NOESY, no=1247, id=1223
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   52 and name   HN) 2.192 0.576 0.576 ! spec=NOESY, no=1248, id=1224
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   52 and name HD22) 3.566 1.526 1.526 ! spec=NOESY, no=1249, id=1225
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   53 and name HE21) 2.507 0.754 0.754 ! spec=NOESY, no=1250, id=1226
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   53 and name HE22) 2.883 0.997 0.997 ! spec=NOESY, no=1251, id=1227
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   51 and name  HB1) 1.844 0.408 0.408 ! spec=NOESY, no=1252, id=1228
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   52 and name  HB2) 4.165 2.082 2.082 ! spec=NOESY, no=1253, id=1229
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   51 and name   HN) 4.430 2.355 2.355 ! spec=NOESY, no=1254, id=1230
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   52 and name   HN) 4.301 2.220 2.220 ! spec=NOESY, no=1255, id=1231
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB2) 2.680 0.862 0.862 ! spec=NOESY, no=1256, id=1232
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name   HN) 4.323 2.242 2.242 ! spec=NOESY, no=1257, id=1233
assign (segid "    " and resid   52 and name HD21) (segid "    " and resid   52 and name HD22) 2.111 0.535 0.535 ! spec=NOESY, no=1258, id=1234
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   54 and name   HN) 4.493 2.423 2.423 ! spec=NOESY, no=1259, id=1235
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HB1) 2.372 0.675 0.675 ! spec=NOESY, no=1260, id=1236
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name   HN) 2.411 0.697 0.697 ! spec=NOESY, no=1261, id=1237
    or (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name   HN)
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name   HN) 1.633 0.320 0.320 ! spec=NOESY, no=1262, id=1238
assign (segid "    " and resid   53 and name HE21) (segid "    " and resid   54 and name   HN) 2.849 0.974 0.974 ! spec=NOESY, no=1263, id=1239
assign (segid "    " and resid   53 and name HE22) (segid "    " and resid   52 and name HD21) 3.098 1.152 1.152 ! spec=NOESY, no=1264, id=1240
assign (segid "    " and resid   53 and name HE22) (segid "    " and resid   53 and name HE21) 1.944 0.453 0.453 ! spec=NOESY, no=1265, id=1241
assign (segid "    " and resid   54 and name  HA1) (segid "    " and resid   53 and name   HN) 3.394 1.382 1.382 ! spec=NOESY, no=1266, id=1242
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   53 and name HE22) 3.013 1.089 1.089 ! spec=NOESY, no=1268, id=1244
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   54 and name   HN) 2.545 0.777 0.777 ! spec=NOESY, no=1269, id=1245
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HN) 2.976 1.063 1.063 ! spec=NOESY, no=1271, id=1247
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   56 and name   HA) 4.589 2.528 2.528 ! spec=NOESY, no=1272, id=1248
assign (segid "    " and resid   55 and name   HA) (segid "    " and resid   56 and name   HN) 3.948 1.871 1.871 ! spec=NOESY, no=1273, id=1249
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name   HN) 1.533 0.282 0.282 ! spec=NOESY, no=1274, id=1250
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   57 and name   HN) 3.193 1.223 1.223 ! spec=NOESY, no=1275, id=1251
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name  HB1) 2.353 0.665 0.665 ! spec=NOESY, no=1276, id=1252
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name   HN) 2.446 0.718 0.718 ! spec=NOESY, no=1277, id=1253
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name   HN) 3.203 1.231 1.231 ! spec=NOESY, no=1278, id=1254
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name  HB1) 2.012 0.486 0.486 ! spec=NOESY, no=1279, id=1255
assign (segid "    " and resid   56 and name  HB2) (segid "    " and resid   56 and name   HN) 2.714 0.884 0.884 ! spec=NOESY, no=1280, id=1256
assign (segid "    " and resid   56 and name  HB1) (segid "    " and resid   57 and name   HN) 3.415 1.399 1.399 ! spec=NOESY, no=1281, id=1257
assign (segid "    " and resid   56 and name  HD1) (segid "    " and resid   57 and name  HG2) 4.964 2.957 2.957 ! spec=NOESY, no=1283, id=1259
    or (segid "    " and resid   56 and name  HD1) (segid "    " and resid   57 and name  HG1)
    or (segid "    " and resid   56 and name  HD2) (segid "    " and resid   57 and name  HG2)
    or (segid "    " and resid   56 and name  HD2) (segid "    " and resid   57 and name  HG1)
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   57 and name   HN) 2.578 0.798 0.798 ! spec=NOESY, no=1284, id=1260
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name   HN) 2.479 0.737 0.737 ! spec=NOESY, no=1285, id=1261
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name   HN) 3.648 1.597 1.597 ! spec=NOESY, no=1286, id=1262
assign (segid "    " and resid   57 and name  HB1) (segid "    " and resid   57 and name   HN) 2.730 0.894 0.894 ! spec=NOESY, no=1287, id=1263
assign (segid "    " and resid   57 and name  HG2) (segid "    " and resid   57 and name   HN) 3.595 1.551 1.551 ! spec=NOESY, no=1288, id=1264
    or (segid "    " and resid   57 and name  HG1) (segid "    " and resid   57 and name   HN)
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   57 and name   HN) 3.792 1.725 1.725 ! spec=NOESY, no=1289, id=1265
assign (segid "    " and resid   58 and name   HA) (segid "    " and resid   59 and name   HN) 2.909 1.016 1.016 ! spec=NOESY, no=1291, id=1267
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   59 and name   HN) 2.442 0.715 0.715 ! spec=NOESY, no=1292, id=1268
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   57 and name   HA) 2.140 0.549 0.549 ! spec=NOESY, no=1293, id=1269
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   59 and name HG12) 2.712 0.883 0.883 ! spec=NOESY, no=1295, id=1271
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   56 and name  HB2) 3.459 1.436 1.436 ! spec=NOESY, no=1296, id=1272
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   57 and name   HA) 2.074 0.516 0.516 ! spec=NOESY, no=1297, id=1273
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   58 and name  HG1) 2.118 0.538 0.538 ! spec=NOESY, no=1298, id=1274
assign (segid "    " and resid   58 and name  HD1) (segid "    " and resid   59 and name HG12) 2.886 1.000 1.000 ! spec=NOESY, no=1299, id=1275
assign (segid "    " and resid   58 and name  HD2) (segid "    " and resid   58 and name  HG1) 2.372 0.675 0.675 ! spec=NOESY, no=1300, id=1276
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   59 and name   HN) 2.807 0.946 0.946 ! spec=NOESY, no=1301, id=1277
assign (segid "    " and resid   59 and name HD12) (segid "    " and resid   59 and name   HB) 3.255 1.271 1.271 ! spec=NOESY, no=1303, id=1279
    or (segid "    " and resid   59 and name HD11) (segid "    " and resid   59 and name   HB)
    or (segid "    " and resid   59 and name HD13) (segid "    " and resid   59 and name   HB)
assign (segid "    " and resid   59 and name HG12) (segid "    " and resid   59 and name HG11) 1.759 0.371 0.371 ! spec=NOESY, no=1305, id=1281
assign (segid "    " and resid   59 and name HG12) (segid "    " and resid   59 and name   HN) 1.759 0.371 0.371 ! spec=NOESY, no=1307, id=1283
assign (segid "    " and resid   59 and name HG12) (segid "    " and resid   60 and name  HD2) 3.386 1.376 1.376 ! spec=NOESY, no=1308, id=1284
assign (segid "    " and resid   59 and name HG11) (segid "    " and resid   58 and name  HD1) 3.752 1.689 1.689 ! spec=NOESY, no=1309, id=1285
assign (segid "    " and resid   59 and name HG11) (segid "    " and resid   59 and name HD12) 2.805 0.944 0.944 ! spec=NOESY, no=1310, id=1286
    or (segid "    " and resid   59 and name HG11) (segid "    " and resid   59 and name HD11)
    or (segid "    " and resid   59 and name HG11) (segid "    " and resid   59 and name HD13)
assign (segid "    " and resid   59 and name HG11) (segid "    " and resid   59 and name   HN) 3.898 1.823 1.823 ! spec=NOESY, no=1311, id=1287
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   61 and name   HN) 2.379 0.679 0.679 ! spec=NOESY, no=1312, id=1288
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   62 and name   HN) 4.003 1.923 1.923 ! spec=NOESY, no=1314, id=1290
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   60 and name   HA) 2.196 0.578 0.578 ! spec=NOESY, no=1315, id=1291
assign (segid "    " and resid   60 and name  HD2) (segid "    " and resid   59 and name   HA) 2.154 0.557 0.557 ! spec=NOESY, no=1316, id=1292
assign (segid "    " and resid   60 and name  HD2) (segid "    " and resid   61 and name   HN) 3.742 1.681 1.681 ! spec=NOESY, no=1317, id=1293
assign (segid "    " and resid   59 and name   HA) (segid "    " and resid   60 and name  HD1) 1.986 0.473 0.473 ! spec=NOESY, no=1318, id=1294
assign (segid "    " and resid   60 and name  HD1) (segid "    " and resid   60 and name  HB1) 2.734 0.897 0.897 ! spec=NOESY, no=1319, id=1295
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   61 and name   HN) 2.434 0.711 0.711 ! spec=NOESY, no=1320, id=1296
assign (segid "    " and resid   61 and name   HA) (segid "    " and resid   62 and name   HN) 3.994 1.914 1.914 ! spec=NOESY, no=1321, id=1297
assign (segid "    " and resid   61 and name  HG1) (segid "    " and resid   61 and name   HA) 3.201 1.229 1.229 ! spec=NOESY, no=1322, id=1298
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name   HN) 3.289 1.298 1.298 ! spec=NOESY, no=1323, id=1299
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HN) 2.066 0.512 0.512 ! spec=NOESY, no=1325, id=1301
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   63 and name   HN) 2.201 0.582 0.582 ! spec=NOESY, no=1326, id=1302
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HA) 2.799 0.940 0.940 ! spec=NOESY, no=1327, id=1303
    or (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HA)
    or (segid "    " and resid   63 and name  HB3) (segid "    " and resid   63 and name   HA)
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HN) 3.267 1.281 1.281 ! spec=NOESY, no=1328, id=1304
    or (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HN)
    or (segid "    " and resid   63 and name  HB3) (segid "    " and resid   63 and name   HN)
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   64 and name   HN) 3.374 1.366 1.366 ! spec=NOESY, no=1329, id=1305
    or (segid "    " and resid   63 and name  HB1) (segid "    " and resid   64 and name   HN)
    or (segid "    " and resid   63 and name  HB3) (segid "    " and resid   64 and name   HN)
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   63 and name   HN) 3.348 1.345 1.345 ! spec=NOESY, no=1330, id=1306
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name   HN) 4.392 2.315 2.315 ! spec=NOESY, no=1331, id=1307
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name  HB1) 1.867 0.418 0.418 ! spec=NOESY, no=1332, id=1308
assign (segid "    " and resid   64 and name  HB2) (segid "    " and resid   65 and name   HN) 3.378 1.369 1.369 ! spec=NOESY, no=1333, id=1309
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HN) 2.495 0.747 0.747 ! spec=NOESY, no=1334, id=1310
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name   HN) 2.422 0.704 0.704 ! spec=NOESY, no=1336, id=1312
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   50 and name   HN) 2.698 0.873 0.873 ! spec=NOESY, no=1337, id=1313
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   66 and name   HN) 2.592 0.806 0.806 ! spec=NOESY, no=1338, id=1314
assign (segid "    " and resid   65 and name   HN) (segid "    " and resid   66 and name   HN) 3.127 1.173 1.173 ! spec=NOESY, no=1339, id=1315
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HA) 3.127 1.173 1.173 ! spec=NOESY, no=1340, id=1316
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name   HA) 2.080 0.519 0.519 ! spec=NOESY, no=1342, id=1318
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   32 and name  HB1) 3.995 1.916 1.916 ! spec=NOESY, no=1343, id=1319
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   32 and name  HB2) 4.080 1.997 1.997 ! spec=NOESY, no=1344, id=1320
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   32 and name  HB1) 4.318 2.238 2.238 ! spec=NOESY, no=1345, id=1321
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   31 and name   HN) 3.355 1.351 1.351 ! spec=NOESY, no=1347, id=1323
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   36 and name  HB2) 4.544 2.478 2.478 ! spec=NOESY, no=1349, id=1325
assign (segid "    " and resid   31 and name  HA2) (segid "    " and resid   36 and name  HB1) 4.593 2.531 2.531 ! spec=NOESY, no=1350, id=1326
assign (segid "    " and resid   31 and name  HA1) (segid "    " and resid   36 and name   HA) 3.561 1.521 1.521 ! spec=NOESY, no=1351, id=1327
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name   HN) 2.386 0.683 0.683 ! spec=NOESY, no=1352, id=1328
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   32 and name   HN) 3.195 1.225 1.225 ! spec=NOESY, no=1353, id=1329
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HN) 3.017 1.092 1.092 ! spec=NOESY, no=1354, id=1330
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB1) 2.522 0.763 0.763 ! spec=NOESY, no=1355, id=1331
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HB2) 2.393 0.687 0.687 ! spec=NOESY, no=1356, id=1332
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   32 and name   HA) 3.701 1.644 1.644 ! spec=NOESY, no=1357, id=1333
assign (segid "    " and resid   32 and name  HB1) (segid "    " and resid   33 and name  HA1) 4.375 2.297 2.297 ! spec=NOESY, no=1358, id=1334
assign (segid "    " and resid   32 and name  HD2) (segid "    " and resid   33 and name  HA1) 4.526 2.458 2.458 ! spec=NOESY, no=1359, id=1335
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   35 and name  HB2) 3.860 1.788 1.788 ! spec=NOESY, no=1360, id=1336
assign (segid "    " and resid   33 and name  HA1) (segid "    " and resid   35 and name  HB1) 4.175 2.092 2.092 ! spec=NOESY, no=1361, id=1337
assign (segid "    " and resid   33 and name  HA2) (segid "    " and resid   35 and name  HB1) 4.264 2.182 2.182 ! spec=NOESY, no=1362, id=1338
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   35 and name  HB2) 4.505 2.435 2.435 ! spec=NOESY, no=1364, id=1340
assign (segid "    " and resid   34 and name  HB2) (segid "    " and resid   35 and name  HB2) 4.730 2.685 2.685 ! spec=NOESY, no=1365, id=1341
assign (segid "    " and resid   34 and name  HB1) (segid "    " and resid   35 and name  HB2) 4.642 2.585 2.585 ! spec=NOESY, no=1366, id=1342
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 2.983 1.067 1.067 ! spec=NOESY, no=1367, id=1343
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB2) 2.962 1.053 1.053 ! spec=NOESY, no=1368, id=1344
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB1) 2.968 1.057 1.057 ! spec=NOESY, no=1369, id=1345
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HG1) 3.096 1.150 1.150 ! spec=NOESY, no=1370, id=1346
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HG1) 2.776 0.924 0.924 ! spec=NOESY, no=1371, id=1347
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name  HG1) 2.446 0.718 0.718 ! spec=NOESY, no=1372, id=1348
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HG2) 2.661 0.850 0.850 ! spec=NOESY, no=1374, id=1350
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HG1) 2.503 0.752 0.752 ! spec=NOESY, no=1375, id=1351
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name HE21) 2.989 1.072 1.072 ! spec=NOESY, no=1376, id=1352
assign (segid "    " and resid   49 and name  HG1) (segid "    " and resid   49 and name HE22) 3.071 1.132 1.132 ! spec=NOESY, no=1377, id=1353
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB2) 3.022 1.096 1.096 ! spec=NOESY, no=1378, id=1354
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB1) 2.987 1.071 1.071 ! spec=NOESY, no=1379, id=1355
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB2) 2.498 0.749 0.749 ! spec=NOESY, no=1380, id=1356
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name  HB1)
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name  HB2) 2.442 0.715 0.715 ! spec=NOESY, no=1382, id=1358
    or (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name  HB1)
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB2) 2.479 0.737 0.737 ! spec=NOESY, no=1385, id=1361
assign (segid "    " and resid   51 and name  HB1) (segid "    " and resid   51 and name   HA) 2.526 0.766 0.766 ! spec=NOESY, no=1386, id=1362
assign (segid "    " and resid   51 and name  HD2) (segid "    " and resid   51 and name  HB2) 3.255 1.271 1.271 ! spec=NOESY, no=1387, id=1363


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           1H       VAL   1  -6.390  16.077   7.924
    2    H2   VAL   1           2H       VAL   1  -6.606  17.278   6.749
    3    H3   VAL   1           3H       VAL   1  -5.148  17.191   7.603
    4    HA   VAL   1           HA       VAL   1  -4.791  16.323   5.445
    5    HB   VAL   1           HB       VAL   1  -4.087  14.017   5.931
    6   HG11  VAL   1          1HG1      VAL   1  -2.579  14.543   7.789
    7   HG12  VAL   1          2HG1      VAL   1  -3.543  15.974   8.157
    8   HG13  VAL   1          3HG1      VAL   1  -2.678  15.858   6.623
    9   HG21  VAL   1          3HG2      VAL   1  -5.987  13.274   7.256
   10   HG22  VAL   1          1HG2      VAL   1  -5.546  14.393   8.548
   11   HG23  VAL   1          2HG2      VAL   1  -4.483  13.043   8.148
   12    H    VAL   2           H        VAL   2  -5.325  14.891   3.753
   13    HA   VAL   2           HA       VAL   2  -8.142  14.017   3.831
   14    HB   VAL   2           HB       VAL   2  -6.709  15.231   1.459
   15   HG11  VAL   2          1HG1      VAL   2  -8.920  15.207   0.391
   16   HG12  VAL   2          2HG1      VAL   2  -9.586  14.388   1.803
   17   HG13  VAL   2          3HG1      VAL   2  -8.380  13.579   0.803
   18   HG21  VAL   2          3HG2      VAL   2  -8.252  17.131   1.753
   19   HG22  VAL   2          1HG2      VAL   2  -7.164  16.934   3.129
   20   HG23  VAL   2          2HG2      VAL   2  -8.840  16.402   3.246
   21    H    TYR   3           H        TYR   3  -7.977  11.848   3.960
   22    HA   TYR   3           HA       TYR   3  -6.189  10.455   2.111
   23    HB2  TYR   3           2HB      TYR   3  -7.960   9.478   4.345
   24    HB3  TYR   3           1HB      TYR   3  -7.228   8.380   3.194
   25    HD1  TYR   3           HD2      TYR   3  -6.115  11.237   5.371
   26    HD2  TYR   3           HD1      TYR   3  -5.321   7.322   3.888
   27    HE1  TYR   3           HE2      TYR   3  -4.064  11.139   6.727
   28    HE2  TYR   3           HE1      TYR   3  -3.271   7.219   5.236
   29    HH   TYR   3           HH       TYR   3  -2.613   9.301   7.749
   30    H    THR   4           H        THR   4  -7.090   8.752   0.770
   31    HA   THR   4           HA       THR   4  -9.828   9.274  -0.120
   32    HB   THR   4           HB       THR   4  -8.987   9.139  -2.503
   33    HG1  THR   4           HG1      THR   4  -6.487   9.653  -1.203
   34   HG21  THR   4          3HG2      THR   4  -8.297  11.502  -2.599
   35   HG22  THR   4          1HG2      THR   4  -8.086  11.502  -0.849
   36   HG23  THR   4          2HG2      THR   4  -9.691  11.269  -1.543
   37    H    ASP   5           H        ASP   5 -10.175   7.580  -2.086
   38    HA   ASP   5           HA       ASP   5  -9.691   4.988  -0.868
   39    HB2  ASP   5           2HB      ASP   5 -11.103   5.349  -3.494
   40    HB3  ASP   5           1HB      ASP   5 -11.424   4.186  -2.213
   41    H    CYS   6           H        CYS   6  -8.790   3.210  -2.118
   42    HA   CYS   6           HA       CYS   6  -6.420   3.924  -3.482
   43    HB2  CYS   6           2HB      CYS   6  -7.767   1.241  -3.690
   44    HB3  CYS   6           1HB      CYS   6  -6.048   1.611  -3.780
   45    HG   CYS   6           HG       CYS   6  -5.581   1.835  -1.171
   46    H    THR   7           H        THR   7  -5.986   4.193  -5.601
   47    HA   THR   7           HA       THR   7  -8.268   3.971  -7.441
   48    HB   THR   7           HB       THR   7  -5.746   5.605  -7.719
   49    HG1  THR   7           HG1      THR   7  -8.410   6.414  -7.058
   50   HG21  THR   7          3HG2      THR   7  -6.981   6.756  -9.521
   51   HG22  THR   7          1HG2      THR   7  -8.301   5.604  -9.333
   52   HG23  THR   7          2HG2      THR   7  -6.722   5.050  -9.887
   53    H    GLU   8           H        GLU   8  -5.012   2.891  -6.859
   54    HA   GLU   8           HA       GLU   8  -5.146   1.263  -9.303
   55    HB2  GLU   8           2HB      GLU   8  -3.102   3.142  -8.442
   56    HB3  GLU   8           1HB      GLU   8  -2.438   1.539  -8.696
   57    HG2  GLU   8           2HG      GLU   8  -4.059   3.085 -10.709
   58    HG3  GLU   8           1HG      GLU   8  -2.299   2.980 -10.685
   59    H    SER   9           H        SER   9  -3.942  -0.748  -9.165
   60    HA   SER   9           HA       SER   9  -4.324  -1.935  -6.545
   61    HB2  SER   9           2HB      SER   9  -3.495  -3.237  -9.156
   62    HB3  SER   9           1HB      SER   9  -4.061  -4.062  -7.696
   63    HG   SER   9           HG       SER   9  -5.540  -2.291  -9.362
   64    H    GLY  10           H        GLY  10  -2.738  -2.402  -5.180
   65    HA2  GLY  10           2HA      GLY  10  -0.420  -3.098  -4.828
   66    HA3  GLY  10           1HA      GLY  10   0.032  -2.063  -6.172
   67    H    GLN  11           H        GLN  11  -2.230  -0.320  -4.740
   68    HA   GLN  11           HA       GLN  11  -0.317   1.177  -3.126
   69    HB2  GLN  11           2HB      GLN  11  -2.922   1.768  -4.402
   70    HB3  GLN  11           1HB      GLN  11  -2.578   2.620  -2.898
   71    HG2  GLN  11           2HG      GLN  11  -1.379   4.064  -4.046
   72    HG3  GLN  11           1HG      GLN  11  -0.239   2.778  -4.423
   73   HE21  GLN  11          1HE2      GLN  11  -2.911   4.665  -5.518
   74   HE22  GLN  11          2HE2      GLN  11  -2.739   4.303  -7.190
   75    H    ASN  12           H        ASN  12  -0.897   1.936  -0.961
   76    HA   ASN  12           HA       ASN  12  -2.721   0.084   0.398
   77    HB2  ASN  12           2HB      ASN  12  -1.078   0.298   2.383
   78    HB3  ASN  12           1HB      ASN  12  -0.779  -0.856   1.099
   79   HD21  ASN  12          1HD2      ASN  12   1.366  -0.952   1.567
   80   HD22  ASN  12          2HD2      ASN  12   2.470   0.312   1.149
   81    H    LEU  13           H        LEU  13  -0.862   3.040   1.030
   82    HA   LEU  13           HA       LEU  13  -2.333   3.926   3.231
   83    HB2  LEU  13           2HB      LEU  13  -0.606   5.420   1.272
   84    HB3  LEU  13           1HB      LEU  13  -1.290   6.169   2.702
   85    HG   LEU  13           HG       LEU  13   0.540   3.769   2.787
   86   HD11  LEU  13          1HD1      LEU  13   1.175   6.689   3.188
   87   HD12  LEU  13          2HD1      LEU  13   1.723   5.677   1.850
   88   HD13  LEU  13          3HD1      LEU  13   2.275   5.345   3.492
   89   HD21  LEU  13          3HD2      LEU  13   0.732   4.303   5.139
   90   HD22  LEU  13          1HD2      LEU  13  -0.965   4.072   4.723
   91   HD23  LEU  13          2HD2      LEU  13  -0.325   5.700   4.939
   92    H    CYS  14           H        CYS  14  -4.400   3.336   1.970
   93    HA   CYS  14           HA       CYS  14  -5.832   5.807   1.518
   94    HB2  CYS  14           2HB      CYS  14  -6.806   4.491  -0.640
   95    HB3  CYS  14           1HB      CYS  14  -5.503   5.668  -0.745
   96    HG   CYS  14           HG       CYS  14  -4.126   2.813  -0.060
   97    H    LEU  15           H        LEU  15  -8.267   5.265   1.261
   98    HA   LEU  15           HA       LEU  15  -8.927   3.131   3.108
   99    HB2  LEU  15           2HB      LEU  15 -11.150   4.324   1.588
  100    HB3  LEU  15           1HB      LEU  15 -10.986   4.059   3.308
  101    HG   LEU  15           HG       LEU  15  -9.663   6.347   1.835
  102   HD11  LEU  15          1HD1      LEU  15 -11.426   7.758   2.729
  103   HD12  LEU  15          2HD1      LEU  15 -12.222   6.350   3.433
  104   HD13  LEU  15          3HD1      LEU  15 -12.100   6.512   1.680
  105   HD21  LEU  15          3HD2      LEU  15  -8.577   5.761   3.920
  106   HD22  LEU  15          1HD2      LEU  15 -10.123   5.826   4.767
  107   HD23  LEU  15          2HD2      LEU  15  -9.430   7.296   4.082
  108    H    CYS  16           H        CYS  16  -8.668   1.171   2.284
  109    HA   CYS  16           HA       CYS  16  -9.362   0.594  -0.451
  110    HB2  CYS  16           2HB      CYS  16  -7.378  -0.456   0.328
  111    HB3  CYS  16           1HB      CYS  16  -8.179  -1.043   1.777
  112    HG   CYS  16           HG       CYS  16  -7.644  -2.671  -0.916
  113    H    GLU  17           H        GLU  17 -10.052  -1.141   2.526
  114    HA   GLU  17           HA       GLU  17 -12.547  -2.093   1.388
  115    HB2  GLU  17           2HB      GLU  17 -10.630  -3.020   3.278
  116    HB3  GLU  17           1HB      GLU  17 -12.235  -2.999   3.995
  117    HG2  GLU  17           2HG      GLU  17 -13.062  -4.521   2.416
  118    HG3  GLU  17           1HG      GLU  17 -11.709  -4.246   1.318
  119    H    GLY  18           H        GLY  18 -14.162  -0.843   1.625
  120    HA2  GLY  18           2HA      GLY  18 -15.737   0.613   2.451
  121    HA3  GLY  18           1HA      GLY  18 -15.461  -0.210   3.976
  122    H    SER  19           H        SER  19 -13.830   0.604   5.376
  123    HA   SER  19           HA       SER  19 -13.174   3.442   4.950
  124    HB2  SER  19           2HB      SER  19 -13.405   3.449   7.562
  125    HB3  SER  19           1HB      SER  19 -14.848   3.599   6.557
  126    HG   SER  19           HG       SER  19 -13.963   1.488   8.166
  127    H    ASN  20           H        ASN  20 -11.945   0.419   5.310
  128    HA   ASN  20           HA       ASN  20  -9.967   0.770   7.306
  129    HB2  ASN  20           2HB      ASN  20 -10.291  -1.208   5.060
  130    HB3  ASN  20           1HB      ASN  20  -8.883  -1.234   6.118
  131   HD21  ASN  20          1HD2      ASN  20 -12.353  -1.572   5.966
  132   HD22  ASN  20          2HD2      ASN  20 -12.520  -2.410   7.470
  133    H    VAL  21           H        VAL  21  -8.335   2.058   7.253
  134    HA   VAL  21           HA       VAL  21  -7.261   3.006   4.714
  135    HB   VAL  21           HB       VAL  21  -6.208   3.734   7.444
  136   HG11  VAL  21          1HG1      VAL  21  -5.534   5.803   6.296
  137   HG12  VAL  21          2HG1      VAL  21  -6.153   5.140   4.785
  138   HG13  VAL  21          3HG1      VAL  21  -4.798   4.360   5.599
  139   HG21  VAL  21          3HG2      VAL  21  -8.507   5.016   5.988
  140   HG22  VAL  21          1HG2      VAL  21  -7.693   5.705   7.390
  141   HG23  VAL  21          2HG2      VAL  21  -8.572   4.184   7.537
  142    H    CYS  22           H        CYS  22  -6.169   1.278   3.866
  143    HA   CYS  22           HA       CYS  22  -4.506  -0.436   5.351
  144    HB2  CYS  22           2HB      CYS  22  -5.359  -0.227   2.648
  145    HB3  CYS  22           1HB      CYS  22  -3.602  -0.282   2.634
  146    HG   CYS  22           HG       CYS  22  -5.757  -2.637   3.806
  147    H    GLY  23           H        GLY  23  -2.256  -0.490   5.578
  148    HA2  GLY  23           2HA      GLY  23  -0.856   1.991   4.851
  149    HA3  GLY  23           1HA      GLY  23  -0.785   1.376   6.497
  150    H    GLN  24           H        GLN  24   1.191   0.575   6.822
  151    HA   GLN  24           HA       GLN  24   2.622  -0.528   4.543
  152    HB2  GLN  24           2HB      GLN  24   3.512   0.072   7.370
  153    HB3  GLN  24           1HB      GLN  24   4.568  -0.549   6.108
  154    HG2  GLN  24           2HG      GLN  24   4.273   1.447   4.809
  155    HG3  GLN  24           1HG      GLN  24   3.067   2.056   5.942
  156   HE21  GLN  24          1HE2      GLN  24   5.949   0.400   6.995
  157   HE22  GLN  24          2HE2      GLN  24   6.726   1.784   7.681
  158    H    GLY  25           H        GLY  25   3.360  -2.603   4.378
  159    HA2  GLY  25           2HA      GLY  25   3.592  -4.851   5.004
  160    HA3  GLY  25           1HA      GLY  25   2.622  -4.539   6.438
  161    H    ASN  26           H        ASN  26   0.814  -3.056   4.352
  162    HA   ASN  26           HA       ASN  26  -0.467  -5.480   3.283
  163    HB2  ASN  26           2HB      ASN  26  -1.761  -2.983   4.371
  164    HB3  ASN  26           1HB      ASN  26  -2.622  -4.198   3.432
  165   HD21  ASN  26          1HD2      ASN  26  -3.024  -3.327   6.189
  166   HD22  ASN  26          2HD2      ASN  26  -2.888  -4.751   7.160
  167    H    LYS  27           H        LYS  27  -1.840  -5.051   1.399
  168    HA   LYS  27           HA       LYS  27  -1.114  -2.750  -0.199
  169    HB2  LYS  27           2HB      LYS  27   0.704  -4.193  -0.748
  170    HB3  LYS  27           1HB      LYS  27  -0.355  -5.585  -0.894
  171    HG2  LYS  27           2HG      LYS  27  -1.222  -4.851  -2.945
  172    HG3  LYS  27           1HG      LYS  27  -0.574  -3.223  -2.727
  173    HD2  LYS  27           2HD      LYS  27   0.734  -4.559  -4.344
  174    HD3  LYS  27           1HD      LYS  27   1.684  -4.037  -2.948
  175    HE2  LYS  27           2HE      LYS  27   2.167  -6.360  -3.527
  176    HE3  LYS  27           1HE      LYS  27   1.428  -6.237  -1.934
  177    HZ1  LYS  27           3HZ      LYS  27  -0.716  -6.818  -3.015
  178    HZ2  LYS  27           1HZ      LYS  27   0.443  -8.052  -3.072
  179    HZ3  LYS  27           2HZ      LYS  27   0.127  -7.121  -4.453
  180    H    CYS  28           H        CYS  28  -2.918  -2.106  -1.255
  181    HA   CYS  28           HA       CYS  28  -5.198  -3.903  -1.290
  182    HB2  CYS  28           2HB      CYS  28  -5.657  -1.672  -0.513
  183    HB3  CYS  28           1HB      CYS  28  -4.921  -0.969  -1.948
  184    HG   CYS  28           HG       CYS  28  -7.563  -0.527  -2.324
  185    H    ILE  29           H        ILE  29  -6.051  -4.795  -3.058
  186    HA   ILE  29           HA       ILE  29  -4.969  -3.990  -5.669
  187    HB   ILE  29           HB       ILE  29  -5.470  -6.456  -6.304
  188   HG12  ILE  29          2HG1      ILE  29  -4.981  -6.737  -3.335
  189   HG13  ILE  29          1HG1      ILE  29  -6.540  -6.987  -4.118
  190   HG21  ILE  29          1HG2      ILE  29  -3.256  -5.458  -6.356
  191   HG22  ILE  29          2HG2      ILE  29  -3.172  -7.091  -5.691
  192   HG23  ILE  29          3HG2      ILE  29  -3.090  -5.696  -4.618
  193   HD11  ILE  29          3HD1      ILE  29  -4.041  -8.589  -4.634
  194   HD12  ILE  29          1HD1      ILE  29  -5.620  -8.859  -5.376
  195   HD13  ILE  29          2HD1      ILE  29  -5.407  -9.095  -3.641
  196    H    LEU  30           H        LEU  30  -6.454  -3.221  -6.941
  197    HA   LEU  30           HA       LEU  30  -9.264  -3.806  -6.468
  198    HB2  LEU  30           2HB      LEU  30  -7.916  -1.761  -8.239
  199    HB3  LEU  30           1HB      LEU  30  -9.649  -1.981  -8.129
  200    HG   LEU  30           HG       LEU  30  -9.342  -1.488  -5.610
  201   HD11  LEU  30          1HD1      LEU  30  -7.459  -0.031  -5.083
  202   HD12  LEU  30          2HD1      LEU  30  -6.790  -0.310  -6.691
  203   HD13  LEU  30          3HD1      LEU  30  -6.919  -1.645  -5.547
  204   HD21  LEU  30          3HD2      LEU  30  -8.958   0.659  -7.689
  205   HD22  LEU  30          1HD2      LEU  30  -9.515   0.918  -6.037
  206   HD23  LEU  30          2HD2      LEU  30 -10.498  -0.021  -7.162
  207    H    GLY  31           H        GLY  31  -9.800  -5.688  -7.424
  208    HA2  GLY  31           2HA      GLY  31  -8.604  -6.351 -10.005
  209    HA3  GLY  31           1HA      GLY  31  -9.499  -7.450  -8.963
  210    H    ARG  32           H        ARG  32 -11.412  -7.983  -9.629
  211    HA   ARG  32           HA       ARG  32 -13.144  -6.133 -11.023
  212    HB2  ARG  32           2HB      ARG  32 -11.950  -8.552 -12.388
  213    HB3  ARG  32           1HB      ARG  32 -13.454  -7.816 -12.923
  214    HG2  ARG  32           2HG      ARG  32 -12.370  -5.797 -13.509
  215    HG3  ARG  32           1HG      ARG  32 -10.878  -6.280 -12.700
  216    HD2  ARG  32           2HD      ARG  32 -12.075  -7.664 -15.096
  217    HD3  ARG  32           1HD      ARG  32 -10.772  -6.478 -15.165
  218    HE   ARG  32           HE       ARG  32 -10.017  -8.501 -13.381
  219   HH11  ARG  32          1HH1      ARG  32 -10.645  -8.107 -16.815
  220   HH12  ARG  32          2HH1      ARG  32  -9.505  -9.327 -17.292
  221   HH21  ARG  32          1HH2      ARG  32  -8.513 -10.098 -14.008
  222   HH22  ARG  32          2HH2      ARG  32  -8.301 -10.462 -15.693
  223    H    GLY  33           H        GLY  33 -15.283  -7.164 -11.492
  224    HA2  GLY  33           2HA      GLY  33 -17.092  -8.414 -10.823
  225    HA3  GLY  33           1HA      GLY  33 -15.966  -9.665 -10.332
  226    H    ASP  34           H        ASP  34 -16.352 -10.215  -8.305
  227    HA   ASP  34           HA       ASP  34 -17.275  -8.224  -6.390
  228    HB2  ASP  34           2HB      ASP  34 -17.741 -10.039  -4.919
  229    HB3  ASP  34           1HB      ASP  34 -18.233 -10.576  -6.521
  230    H    SER  35           H        SER  35 -14.384  -9.522  -7.490
  231    HA   SER  35           HA       SER  35 -12.965  -9.038  -4.968
  232    HB2  SER  35           2HB      SER  35 -12.675 -11.162  -6.441
  233    HB3  SER  35           1HB      SER  35 -11.739 -10.115  -7.505
  234    HG   SER  35           HG       SER  35 -11.241 -10.593  -4.741
  235    H    LYS  36           H        LYS  36 -13.819  -6.730  -5.788
  236    HA   LYS  36           HA       LYS  36 -12.001  -5.598  -7.768
  237    HB2  LYS  36           2HB      LYS  36 -13.615  -3.574  -7.477
  238    HB3  LYS  36           1HB      LYS  36 -14.117  -4.981  -8.394
  239    HG2  LYS  36           2HG      LYS  36 -15.944  -4.297  -7.041
  240    HG3  LYS  36           1HG      LYS  36 -15.322  -5.799  -6.367
  241    HD2  LYS  36           2HD      LYS  36 -14.143  -4.543  -4.636
  242    HD3  LYS  36           1HD      LYS  36 -14.717  -3.027  -5.336
  243    HE2  LYS  36           2HE      LYS  36 -17.028  -3.701  -4.892
  244    HE3  LYS  36           1HE      LYS  36 -16.457  -5.216  -4.195
  245    HZ1  LYS  36           3HZ      LYS  36 -16.984  -3.559  -2.501
  246    HZ2  LYS  36           1HZ      LYS  36 -15.833  -2.504  -3.151
  247    HZ3  LYS  36           2HZ      LYS  36 -15.340  -3.975  -2.463
  248    H    ASN  37           H        ASN  37 -12.286  -5.731  -4.419
  249    HA   ASN  37           HA       ASN  37 -10.176  -3.789  -4.071
  250    HB2  ASN  37           2HB      ASN  37 -12.908  -3.066  -3.573
  251    HB3  ASN  37           1HB      ASN  37 -12.060  -3.157  -2.032
  252   HD21  ASN  37          1HD2      ASN  37 -10.293  -1.823  -1.671
  253   HD22  ASN  37          2HD2      ASN  37 -10.043  -0.397  -2.599
  254    H    GLN  38           H        GLN  38  -8.761  -4.835  -2.799
  255    HA   GLN  38           HA       GLN  38  -9.742  -6.090  -0.370
  256    HB2  GLN  38           2HB      GLN  38  -9.865  -7.921  -1.967
  257    HB3  GLN  38           1HB      GLN  38  -8.212  -7.631  -2.480
  258    HG2  GLN  38           2HG      GLN  38  -8.262  -9.554  -1.064
  259    HG3  GLN  38           1HG      GLN  38  -7.441  -8.257  -0.217
  260   HE21  GLN  38          1HE2      GLN  38  -8.204  -7.602   1.710
  261   HE22  GLN  38          2HE2      GLN  38  -9.635  -8.211   2.464
  262    H    CYS  39           H        CYS  39  -8.348  -6.003   1.273
  263    HA   CYS  39           HA       CYS  39  -5.721  -4.852   0.820
  264    HB2  CYS  39           2HB      CYS  39  -7.301  -5.446   3.311
  265    HB3  CYS  39           1HB      CYS  39  -5.638  -4.889   3.357
  266    HG   CYS  39           HG       CYS  39  -8.076  -3.088   1.786
  267    H    VAL  40           H        VAL  40  -4.581  -6.537  -0.123
  268    HA   VAL  40           HA       VAL  40  -4.360  -9.061   1.294
  269    HB   VAL  40           HB       VAL  40  -4.470  -8.810  -1.244
  270   HG11  VAL  40          1HG1      VAL  40  -2.358  -8.416  -2.410
  271   HG12  VAL  40          2HG1      VAL  40  -1.602  -7.988  -0.875
  272   HG13  VAL  40          3HG1      VAL  40  -2.909  -6.995  -1.521
  273   HG21  VAL  40          3HG2      VAL  40  -2.885 -10.660  -1.636
  274   HG22  VAL  40          1HG2      VAL  40  -3.891 -10.917  -0.210
  275   HG23  VAL  40          2HG2      VAL  40  -2.215 -10.399  -0.027
  276    H    THR  41           H        THR  41  -2.259  -9.883   1.955
  277    HA   THR  41           HA       THR  41  -0.768  -7.752   3.240
  278    HB   THR  41           HB       THR  41   0.428  -9.671   4.372
  279    HG1  THR  41           HG1      THR  41  -1.668 -11.194   3.156
  280   HG21  THR  41          3HG2      THR  41  -2.575  -9.520   4.663
  281   HG22  THR  41          1HG2      THR  41  -1.401  -8.468   5.451
  282   HG23  THR  41          2HG2      THR  41  -1.459 -10.183   5.859
  283    H    GLY  42           H        GLY  42   1.164  -7.085   2.721
  284    HA2  GLY  42           2HA      GLY  42   3.306  -8.491   1.705
  285    HA3  GLY  42           1HA      GLY  42   2.424  -7.907   0.298
  286    H    GLU  43           H        GLU  43   3.534  -6.202  -0.472
  287    HA   GLU  43           HA       GLU  43   3.799  -3.939   1.367
  288    HB2  GLU  43           2HB      GLU  43   5.937  -3.298   0.242
  289    HB3  GLU  43           1HB      GLU  43   6.044  -4.752   1.223
  290    HG2  GLU  43           2HG      GLU  43   5.989  -6.138  -0.735
  291    HG3  GLU  43           1HG      GLU  43   5.714  -4.733  -1.765
  292    H    GLY  44           H        GLY  44   2.588  -2.371   0.641
  293    HA2  GLY  44           2HA      GLY  44   1.907  -2.279  -2.190
  294    HA3  GLY  44           1HA      GLY  44   1.123  -1.380  -0.901
  295    H    THR  45           H        THR  45   1.242   0.577  -1.869
  296    HA   THR  45           HA       THR  45   3.822   1.888  -1.817
  297    HB   THR  45           HB       THR  45   2.673   0.959  -4.260
  298    HG1  THR  45           HG1      THR  45   4.861   1.006  -4.084
  299   HG21  THR  45          3HG2      THR  45   1.362   3.016  -4.345
  300   HG22  THR  45          1HG2      THR  45   2.614   3.015  -5.586
  301   HG23  THR  45          2HG2      THR  45   2.828   3.969  -4.118
  302    HA   PRO  46           HA       PRO  46   1.265   5.212  -0.312
  303    HB2  PRO  46           2HB      PRO  46   3.231   7.002  -1.618
  304    HB3  PRO  46           1HB      PRO  46   2.734   6.920   0.076
  305    HG2  PRO  46           2HG      PRO  46   5.130   6.030  -0.704
  306    HG3  PRO  46           1HG      PRO  46   4.206   5.201   0.563
  307    HD2  PRO  46           2HD      PRO  46   4.554   4.463  -2.318
  308    HD3  PRO  46           1HD      PRO  46   4.533   3.418  -0.882
  309    H    LYS  47           H        LYS  47  -0.564   5.626  -1.344
  310    HA   LYS  47           HA       LYS  47  -0.689   6.096  -4.178
  311    HB2  LYS  47           2HB      LYS  47  -2.425   4.801  -2.923
  312    HB3  LYS  47           1HB      LYS  47  -2.874   6.286  -2.089
  313    HG2  LYS  47           2HG      LYS  47  -2.942   7.014  -4.729
  314    HG3  LYS  47           1HG      LYS  47  -3.539   5.357  -4.744
  315    HD2  LYS  47           2HD      LYS  47  -5.323   5.871  -3.294
  316    HD3  LYS  47           1HD      LYS  47  -4.610   7.423  -2.840
  317    HE2  LYS  47           2HE      LYS  47  -4.888   8.157  -5.202
  318    HE3  LYS  47           1HE      LYS  47  -5.738   6.652  -5.526
  319    HZ1  LYS  47           3HZ      LYS  47  -7.437   7.274  -3.970
  320    HZ2  LYS  47           1HZ      LYS  47  -7.252   8.512  -5.110
  321    HZ3  LYS  47           2HZ      LYS  47  -6.611   8.690  -3.546
  322    HA   PRO  48           HA       PRO  48  -0.279  10.560  -3.546
  323    HB2  PRO  48           2HB      PRO  48  -0.835  10.554  -6.447
  324    HB3  PRO  48           1HB      PRO  48   0.513  11.268  -5.555
  325    HG2  PRO  48           2HG      PRO  48   0.845   9.070  -7.054
  326    HG3  PRO  48           1HG      PRO  48   1.710   9.280  -5.520
  327    HD2  PRO  48           2HD      PRO  48  -0.718   7.629  -6.116
  328    HD3  PRO  48           1HD      PRO  48   0.685   7.241  -5.097
  329    H    GLN  49           H        GLN  49  -1.732  12.023  -3.208
  330    HA   GLN  49           HA       GLN  49  -4.392  11.871  -4.374
  331    HB2  GLN  49           2HB      GLN  49  -5.263  11.935  -1.887
  332    HB3  GLN  49           1HB      GLN  49  -4.907  10.409  -2.676
  333    HG2  GLN  49           2HG      GLN  49  -2.618  10.537  -1.646
  334    HG3  GLN  49           1HG      GLN  49  -3.223  11.872  -0.675
  335   HE21  GLN  49          1HE2      GLN  49  -2.236   9.277   0.124
  336   HE22  GLN  49          2HE2      GLN  49  -3.504   8.515   1.023
  337    H    SER  50           H        SER  50  -2.005  13.382  -2.370
  338    HA   SER  50           HA       SER  50  -3.349  15.968  -2.843
  339    HB2  SER  50           2HB      SER  50  -2.033  16.764  -0.824
  340    HB3  SER  50           1HB      SER  50  -3.321  15.610  -0.475
  341    HG   SER  50           HG       SER  50  -1.275  14.108  -0.908
  342    H    HIS  51           H        HIS  51  -2.199  17.485  -3.925
  343    HA   HIS  51           HA       HIS  51   0.197  16.701  -5.245
  344    HB2  HIS  51           2HB      HIS  51  -1.269  19.328  -5.095
  345    HB3  HIS  51           1HB      HIS  51   0.206  19.120  -6.025
  346    HD1  HIS  51           HD1      HIS  51  -1.611  19.930  -7.923
  347    HD2  HIS  51           HD2      HIS  51  -1.898  16.025  -6.519
  348    HE1  HIS  51           HE1      HIS  51  -2.956  18.684  -9.645
  349    HE2  HIS  51           HE2      HIS  51  -3.275  16.376  -8.685
  Start of MODEL    2
    1    H1   VAL   1           1H       VAL   1  -5.562  12.905   8.416
    2    H2   VAL   1           2H       VAL   1  -5.027  11.890   9.660
    3    H3   VAL   1           3H       VAL   1  -6.690  12.122   9.409
    4    HA   VAL   1           HA       VAL   1  -4.805  10.805   7.541
    5    HB   VAL   1           HB       VAL   1  -6.198   8.770   7.999
    6   HG11  VAL   1          1HG1      VAL   1  -3.995   9.027   8.982
    7   HG12  VAL   1          2HG1      VAL   1  -5.081   8.242  10.129
    8   HG13  VAL   1          3HG1      VAL   1  -4.675   9.948  10.322
    9   HG21  VAL   1          3HG2      VAL   1  -7.503   8.686  10.069
   10   HG22  VAL   1          1HG2      VAL   1  -8.160   9.882   8.952
   11   HG23  VAL   1          2HG2      VAL   1  -7.197  10.403  10.335
   12    H    VAL   2           H        VAL   2  -6.129  12.919   6.545
   13    HA   VAL   2           HA       VAL   2  -8.695  12.040   5.488
   14    HB   VAL   2           HB       VAL   2  -7.219  14.631   4.972
   15   HG11  VAL   2          1HG1      VAL   2 -10.099  13.872   4.485
   16   HG12  VAL   2          2HG1      VAL   2  -8.860  14.093   3.248
   17   HG13  VAL   2          3HG1      VAL   2  -9.390  15.465   4.222
   18   HG21  VAL   2          3HG2      VAL   2  -8.726  15.624   6.615
   19   HG22  VAL   2          1HG2      VAL   2  -7.752  14.348   7.344
   20   HG23  VAL   2          2HG2      VAL   2  -9.439  14.041   6.930
   21    H    TYR   3           H        TYR   3  -8.081  10.347   4.166
   22    HA   TYR   3           HA       TYR   3  -6.691  11.133   1.684
   23    HB2  TYR   3           2HB      TYR   3  -7.193   8.308   2.643
   24    HB3  TYR   3           1HB      TYR   3  -6.171   8.814   1.308
   25    HD1  TYR   3           HD2      TYR   3  -4.126  10.351   1.991
   26    HD2  TYR   3           HD1      TYR   3  -6.237   7.804   4.663
   27    HE1  TYR   3           HE2      TYR   3  -2.176  10.310   3.492
   28    HE2  TYR   3           HE1      TYR   3  -4.291   7.748   6.157
   29    HH   TYR   3           HH       TYR   3  -1.939   8.093   6.121
   30    H    THR   4           H        THR   4  -7.560   9.493  -0.129
   31    HA   THR   4           HA       THR   4 -10.467   9.249   0.122
   32    HB   THR   4           HB       THR   4 -10.366   9.304  -2.483
   33    HG1  THR   4           HG1      THR   4  -8.195  11.051  -2.061
   34   HG21  THR   4          3HG2      THR   4 -11.532  10.976  -1.156
   35   HG22  THR   4          1HG2      THR   4 -10.663  11.748  -2.479
   36   HG23  THR   4          2HG2      THR   4 -10.012  11.814  -0.840
   37    H    ASP   5           H        ASP   5 -10.613   7.691  -2.341
   38    HA   ASP   5           HA       ASP   5  -9.829   5.206  -1.077
   39    HB2  ASP   5           2HB      ASP   5 -11.365   5.665  -3.653
   40    HB3  ASP   5           1HB      ASP   5 -11.175   4.124  -2.830
   41    H    CYS   6           H        CYS   6  -8.805   3.492  -2.339
   42    HA   CYS   6           HA       CYS   6  -6.432   4.304  -3.607
   43    HB2  CYS   6           2HB      CYS   6  -7.725   1.598  -3.895
   44    HB3  CYS   6           1HB      CYS   6  -6.014   1.998  -3.990
   45    HG   CYS   6           HG       CYS   6  -5.529   2.185  -1.384
   46    H    THR   7           H        THR   7  -5.866   4.520  -5.712
   47    HA   THR   7           HA       THR   7  -8.069   4.402  -7.651
   48    HB   THR   7           HB       THR   7  -6.902   6.592  -7.183
   49    HG1  THR   7           HG1      THR   7  -6.610   5.791  -9.904
   50   HG21  THR   7          3HG2      THR   7  -4.754   7.001  -8.273
   51   HG22  THR   7          1HG2      THR   7  -4.658   5.298  -8.723
   52   HG23  THR   7          2HG2      THR   7  -4.615   5.764  -7.023
   53    H    GLU   8           H        GLU   8  -5.191   2.924  -6.733
   54    HA   GLU   8           HA       GLU   8  -4.998   1.480  -9.268
   55    HB2  GLU   8           2HB      GLU   8  -2.841   3.022  -7.874
   56    HB3  GLU   8           1HB      GLU   8  -2.430   1.643  -8.872
   57    HG2  GLU   8           2HG      GLU   8  -4.084   3.932  -9.887
   58    HG3  GLU   8           1HG      GLU   8  -2.323   3.932  -9.949
   59    H    SER   9           H        SER   9  -3.951  -0.567  -9.098
   60    HA   SER   9           HA       SER   9  -4.368  -1.801  -6.498
   61    HB2  SER   9           2HB      SER   9  -3.530  -3.066  -9.123
   62    HB3  SER   9           1HB      SER   9  -4.143  -3.904  -7.693
   63    HG   SER   9           HG       SER   9  -5.515  -2.191  -9.478
   64    H    GLY  10           H        GLY  10  -2.770  -2.332  -5.134
   65    HA2  GLY  10           2HA      GLY  10  -0.493  -3.055  -4.701
   66    HA3  GLY  10           1HA      GLY  10   0.011  -2.141  -6.120
   67    H    GLN  11           H        GLN  11  -2.182  -0.229  -4.884
   68    HA   GLN  11           HA       GLN  11  -0.263   1.396  -3.415
   69    HB2  GLN  11           2HB      GLN  11  -2.703   1.873  -4.934
   70    HB3  GLN  11           1HB      GLN  11  -2.742   2.691  -3.373
   71    HG2  GLN  11           2HG      GLN  11  -1.466   4.266  -4.159
   72    HG3  GLN  11           1HG      GLN  11  -0.183   3.113  -4.477
   73   HE21  GLN  11          1HE2      GLN  11  -2.800   4.954  -5.797
   74   HE22  GLN  11          2HE2      GLN  11  -2.391   4.724  -7.461
   75    H    ASN  12           H        ASN  12  -0.873   2.310  -1.289
   76    HA   ASN  12           HA       ASN  12  -2.705   0.536   0.154
   77    HB2  ASN  12           2HB      ASN  12  -1.081   0.757   2.137
   78    HB3  ASN  12           1HB      ASN  12  -0.757  -0.414   0.872
   79   HD21  ASN  12          1HD2      ASN  12   1.395  -0.456   1.513
   80   HD22  ASN  12          2HD2      ASN  12   2.498   0.801   1.067
   81    H    LEU  13           H        LEU  13  -0.800   3.480   0.711
   82    HA   LEU  13           HA       LEU  13  -2.252   4.440   2.893
   83    HB2  LEU  13           2HB      LEU  13  -0.597   5.938   0.869
   84    HB3  LEU  13           1HB      LEU  13  -1.169   6.623   2.377
   85    HG   LEU  13           HG       LEU  13   0.663   4.227   2.202
   86   HD11  LEU  13          1HD1      LEU  13   2.435   5.772   2.890
   87   HD12  LEU  13          2HD1      LEU  13   1.310   7.122   2.750
   88   HD13  LEU  13          3HD1      LEU  13   1.770   6.205   1.315
   89   HD21  LEU  13          3HD2      LEU  13   1.015   4.621   4.572
   90   HD22  LEU  13          1HD2      LEU  13  -0.699   4.364   4.246
   91   HD23  LEU  13          2HD2      LEU  13  -0.090   5.994   4.528
   92    H    CYS  14           H        CYS  14  -4.339   3.831   1.689
   93    HA   CYS  14           HA       CYS  14  -5.760   6.294   1.168
   94    HB2  CYS  14           2HB      CYS  14  -6.779   4.892  -0.914
   95    HB3  CYS  14           1HB      CYS  14  -5.483   6.057  -1.086
   96    HG   CYS  14           HG       CYS  14  -4.148   3.185  -0.302
   97    H    LEU  15           H        LEU  15  -8.214   5.747   0.980
   98    HA   LEU  15           HA       LEU  15  -8.822   3.715   2.960
   99    HB2  LEU  15           2HB      LEU  15 -11.073   4.866   1.441
  100    HB3  LEU  15           1HB      LEU  15 -10.885   4.623   3.162
  101    HG   LEU  15           HG       LEU  15  -9.641   6.900   1.612
  102   HD11  LEU  15          1HD1      LEU  15 -12.060   7.090   1.632
  103   HD12  LEU  15          2HD1      LEU  15 -11.341   8.289   2.708
  104   HD13  LEU  15          3HD1      LEU  15 -12.084   6.836   3.377
  105   HD21  LEU  15          3HD2      LEU  15  -9.200   7.853   3.811
  106   HD22  LEU  15          1HD2      LEU  15  -8.395   6.296   3.632
  107   HD23  LEU  15          2HD2      LEU  15  -9.876   6.419   4.583
  108    H    CYS  16           H        CYS  16  -8.891   1.691   2.362
  109    HA   CYS  16           HA       CYS  16  -9.599   1.031  -0.370
  110    HB2  CYS  16           2HB      CYS  16  -7.525   0.072   0.374
  111    HB3  CYS  16           1HB      CYS  16  -8.288  -0.575   1.817
  112    HG   CYS  16           HG       CYS  16  -8.532  -1.701  -1.384
  113    H    GLU  17           H        GLU  17 -10.073  -0.735   2.646
  114    HA   GLU  17           HA       GLU  17 -12.531  -1.842   1.584
  115    HB2  GLU  17           2HB      GLU  17 -10.595  -2.851   3.170
  116    HB3  GLU  17           1HB      GLU  17 -11.799  -2.359   4.349
  117    HG2  GLU  17           2HG      GLU  17 -12.395  -4.152   2.012
  118    HG3  GLU  17           1HG      GLU  17 -11.949  -4.745   3.611
  119    H    GLY  18           H        GLY  18 -14.291  -0.826   1.838
  120    HA2  GLY  18           2HA      GLY  18 -15.865   0.708   2.524
  121    HA3  GLY  18           1HA      GLY  18 -15.516   0.075   4.126
  122    H    SER  19           H        SER  19 -14.184   1.207   5.497
  123    HA   SER  19           HA       SER  19 -13.317   3.872   4.592
  124    HB2  SER  19           2HB      SER  19 -13.582   4.260   7.205
  125    HB3  SER  19           1HB      SER  19 -14.960   4.423   6.113
  126    HG   SER  19           HG       SER  19 -14.359   2.432   7.986
  127    H    ASN  20           H        ASN  20 -12.158   0.937   5.335
  128    HA   ASN  20           HA       ASN  20 -10.198   1.479   7.306
  129    HB2  ASN  20           2HB      ASN  20 -10.498  -0.727   5.282
  130    HB3  ASN  20           1HB      ASN  20  -9.116  -0.644   6.371
  131   HD21  ASN  20          1HD2      ASN  20 -12.552  -1.104   6.128
  132   HD22  ASN  20          2HD2      ASN  20 -12.772  -1.741   7.720
  133    H    VAL  21           H        VAL  21  -8.380   2.447   7.187
  134    HA   VAL  21           HA       VAL  21  -7.361   3.360   4.615
  135    HB   VAL  21           HB       VAL  21  -6.252   3.919   7.378
  136   HG11  VAL  21          1HG1      VAL  21  -5.826   5.286   4.726
  137   HG12  VAL  21          2HG1      VAL  21  -4.651   4.314   5.612
  138   HG13  VAL  21          3HG1      VAL  21  -5.202   5.853   6.274
  139   HG21  VAL  21          3HG2      VAL  21  -8.202   5.541   5.756
  140   HG22  VAL  21          1HG2      VAL  21  -7.422   6.075   7.242
  141   HG23  VAL  21          2HG2      VAL  21  -8.538   4.710   7.274
  142    H    CYS  22           H        CYS  22  -6.159   1.877   3.575
  143    HA   CYS  22           HA       CYS  22  -4.544  -0.031   4.972
  144    HB2  CYS  22           2HB      CYS  22  -5.496   0.245   2.328
  145    HB3  CYS  22           1HB      CYS  22  -3.739   0.270   2.222
  146    HG   CYS  22           HG       CYS  22  -5.663  -2.203   3.581
  147    H    GLY  23           H        GLY  23  -2.278  -0.143   5.001
  148    HA2  GLY  23           2HA      GLY  23  -0.819   2.286   4.277
  149    HA3  GLY  23           1HA      GLY  23  -0.772   1.764   5.958
  150    H    GLN  24           H        GLN  24   1.443   1.317   5.980
  151    HA   GLN  24           HA       GLN  24   2.492  -0.424   3.902
  152    HB2  GLN  24           2HB      GLN  24   3.778   1.571   4.741
  153    HB3  GLN  24           1HB      GLN  24   3.984   0.719   6.266
  154    HG2  GLN  24           2HG      GLN  24   5.189  -1.051   5.163
  155    HG3  GLN  24           1HG      GLN  24   4.908  -0.305   3.594
  156   HE21  GLN  24          1HE2      GLN  24   5.675   1.524   6.467
  157   HE22  GLN  24          2HE2      GLN  24   7.273   1.993   5.974
  158    H    GLY  25           H        GLY  25   3.084  -2.496   4.177
  159    HA2  GLY  25           2HA      GLY  25   3.339  -4.490   5.471
  160    HA3  GLY  25           1HA      GLY  25   2.347  -3.760   6.733
  161    H    ASN  26           H        ASN  26   0.854  -2.731   4.187
  162    HA   ASN  26           HA       ASN  26  -0.544  -5.199   3.457
  163    HB2  ASN  26           2HB      ASN  26  -1.872  -2.556   4.117
  164    HB3  ASN  26           1HB      ASN  26  -2.685  -3.961   3.437
  165   HD21  ASN  26          1HD2      ASN  26  -1.334  -2.538   6.275
  166   HD22  ASN  26          2HD2      ASN  26  -1.917  -3.721   7.394
  167    H    LYS  27           H        LYS  27  -1.841  -4.854   1.446
  168    HA   LYS  27           HA       LYS  27  -0.957  -2.679  -0.251
  169    HB2  LYS  27           2HB      LYS  27   0.772  -4.351  -0.597
  170    HB3  LYS  27           1HB      LYS  27  -0.439  -5.589  -0.892
  171    HG2  LYS  27           2HG      LYS  27  -0.889  -4.838  -3.003
  172    HG3  LYS  27           1HG      LYS  27  -0.403  -3.181  -2.635
  173    HD2  LYS  27           2HD      LYS  27   1.200  -4.278  -4.127
  174    HD3  LYS  27           1HD      LYS  27   1.931  -3.856  -2.579
  175    HE2  LYS  27           2HE      LYS  27   2.696  -6.029  -3.108
  176    HE3  LYS  27           1HE      LYS  27   1.479  -6.222  -1.847
  177    HZ1  LYS  27           3HZ      LYS  27   1.291  -7.846  -3.671
  178    HZ2  LYS  27           1HZ      LYS  27   0.959  -6.582  -4.751
  179    HZ3  LYS  27           2HZ      LYS  27  -0.112  -6.923  -3.480
  180    H    CYS  28           H        CYS  28  -2.804  -1.942  -1.194
  181    HA   CYS  28           HA       CYS  28  -5.121  -3.699  -1.229
  182    HB2  CYS  28           2HB      CYS  28  -5.581  -1.510  -0.374
  183    HB3  CYS  28           1HB      CYS  28  -4.816  -0.749  -1.762
  184    HG   CYS  28           HG       CYS  28  -7.315  -0.193  -2.377
  185    H    ILE  29           H        ILE  29  -5.767  -4.740  -2.943
  186    HA   ILE  29           HA       ILE  29  -5.012  -3.723  -5.592
  187    HB   ILE  29           HB       ILE  29  -5.229  -6.129  -6.367
  188   HG12  ILE  29          2HG1      ILE  29  -4.919  -6.665  -3.405
  189   HG13  ILE  29          1HG1      ILE  29  -6.381  -6.959  -4.342
  190   HG21  ILE  29          1HG2      ILE  29  -2.939  -6.677  -5.758
  191   HG22  ILE  29          2HG2      ILE  29  -2.981  -5.478  -4.466
  192   HG23  ILE  29          3HG2      ILE  29  -3.085  -4.962  -6.149
  193   HD11  ILE  29          3HD1      ILE  29  -5.189  -8.605  -5.687
  194   HD12  ILE  29          1HD1      ILE  29  -5.141  -9.007  -3.971
  195   HD13  ILE  29          2HD1      ILE  29  -3.724  -8.307  -4.752
  196    H    LEU  30           H        LEU  30  -6.652  -3.142  -6.783
  197    HA   LEU  30           HA       LEU  30  -9.346  -3.576  -5.950
  198    HB2  LEU  30           2HB      LEU  30  -8.169  -2.266  -8.402
  199    HB3  LEU  30           1HB      LEU  30  -9.893  -2.385  -8.113
  200    HG   LEU  30           HG       LEU  30  -9.435  -1.147  -5.915
  201   HD11  LEU  30          1HD1      LEU  30  -7.464   0.306  -5.925
  202   HD12  LEU  30          2HD1      LEU  30  -6.869  -0.526  -7.361
  203   HD13  LEU  30          3HD1      LEU  30  -7.032  -1.402  -5.839
  204   HD21  LEU  30          3HD2      LEU  30  -9.519   1.024  -7.037
  205   HD22  LEU  30          1HD2      LEU  30 -10.583  -0.151  -7.812
  206   HD23  LEU  30          2HD2      LEU  30  -9.033   0.257  -8.550
  207    H    GLY  31           H        GLY  31  -9.648  -5.799  -6.031
  208    HA2  GLY  31           2HA      GLY  31 -10.997  -7.202  -7.564
  209    HA3  GLY  31           1HA      GLY  31  -9.683  -6.972  -8.690
  210    H    ARG  32           H        ARG  32 -10.984  -9.003  -6.486
  211    HA   ARG  32           HA       ARG  32  -8.665 -10.734  -6.546
  212    HB2  ARG  32           2HB      ARG  32  -8.480  -9.201  -4.489
  213    HB3  ARG  32           1HB      ARG  32  -9.876 -10.064  -3.864
  214    HG2  ARG  32           2HG      ARG  32  -7.871 -10.989  -2.924
  215    HG3  ARG  32           1HG      ARG  32  -8.603 -12.169  -4.014
  216    HD2  ARG  32           2HD      ARG  32  -7.000 -11.765  -5.693
  217    HD3  ARG  32           1HD      ARG  32  -6.431 -10.293  -4.906
  218    HE   ARG  32           HE       ARG  32  -6.077 -12.584  -3.243
  219   HH11  ARG  32          1HH1      ARG  32  -4.694 -10.928  -6.015
  220   HH12  ARG  32          2HH1      ARG  32  -3.084 -11.501  -5.704
  221   HH21  ARG  32          1HH2      ARG  32  -3.973 -13.322  -2.836
  222   HH22  ARG  32          2HH2      ARG  32  -2.672 -12.867  -3.903
  223    H    GLY  33           H        GLY  33 -10.194 -11.859  -7.881
  224    HA2  GLY  33           2HA      GLY  33 -11.640 -13.662  -8.134
  225    HA3  GLY  33           1HA      GLY  33 -11.913 -13.649  -6.396
  226    H    ASP  34           H        ASP  34 -13.565 -12.411  -5.529
  227    HA   ASP  34           HA       ASP  34 -15.299 -11.050  -7.484
  228    HB2  ASP  34           2HB      ASP  34 -17.237 -11.675  -6.227
  229    HB3  ASP  34           1HB      ASP  34 -16.289 -13.137  -6.464
  230    H    SER  35           H        SER  35 -13.027 -10.340  -5.507
  231    HA   SER  35           HA       SER  35 -14.302  -8.362  -3.822
  232    HB2  SER  35           2HB      SER  35 -12.347  -9.722  -3.021
  233    HB3  SER  35           1HB      SER  35 -11.352  -8.924  -4.243
  234    HG   SER  35           HG       SER  35 -12.813  -7.475  -2.288
  235    H    LYS  36           H        LYS  36 -13.877  -6.168  -3.977
  236    HA   LYS  36           HA       LYS  36 -13.436  -5.292  -6.736
  237    HB2  LYS  36           2HB      LYS  36 -14.619  -3.752  -4.413
  238    HB3  LYS  36           1HB      LYS  36 -14.558  -3.217  -6.085
  239    HG2  LYS  36           2HG      LYS  36 -16.711  -3.963  -5.982
  240    HG3  LYS  36           1HG      LYS  36 -15.902  -5.441  -6.503
  241    HD2  LYS  36           2HD      LYS  36 -15.812  -6.194  -4.159
  242    HD3  LYS  36           1HD      LYS  36 -16.671  -4.735  -3.669
  243    HE2  LYS  36           2HE      LYS  36 -18.236  -6.544  -3.811
  244    HE3  LYS  36           1HE      LYS  36 -18.552  -5.424  -5.135
  245    HZ1  LYS  36           3HZ      LYS  36 -17.351  -6.903  -6.624
  246    HZ2  LYS  36           1HZ      LYS  36 -18.632  -7.722  -5.876
  247    HZ3  LYS  36           2HZ      LYS  36 -17.044  -7.975  -5.349
  248    H    ASN  37           H        ASN  37 -12.442  -4.650  -3.446
  249    HA   ASN  37           HA       ASN  37  -9.792  -3.900  -4.289
  250    HB2  ASN  37           2HB      ASN  37  -9.892  -1.877  -2.763
  251    HB3  ASN  37           1HB      ASN  37 -10.757  -1.735  -4.285
  252   HD21  ASN  37          1HD2      ASN  37 -11.068  -2.084  -0.845
  253   HD22  ASN  37          2HD2      ASN  37 -12.728  -1.620  -0.754
  254    H    GLN  38           H        GLN  38  -8.465  -5.042  -3.003
  255    HA   GLN  38           HA       GLN  38  -9.521  -5.856  -0.371
  256    HB2  GLN  38           2HB      GLN  38  -9.536  -7.712  -1.992
  257    HB3  GLN  38           1HB      GLN  38  -7.812  -7.493  -2.253
  258    HG2  GLN  38           2HG      GLN  38  -7.833  -9.231  -0.762
  259    HG3  GLN  38           1HG      GLN  38  -7.649  -7.853   0.314
  260   HE21  GLN  38          1HE2      GLN  38 -10.506  -7.100  -0.093
  261   HE22  GLN  38          2HE2      GLN  38 -11.396  -8.210   0.893
  262    H    CYS  39           H        CYS  39  -8.225  -5.656   1.342
  263    HA   CYS  39           HA       CYS  39  -5.595  -4.500   0.984
  264    HB2  CYS  39           2HB      CYS  39  -7.303  -4.983   3.416
  265    HB3  CYS  39           1HB      CYS  39  -5.666  -4.356   3.506
  266    HG   CYS  39           HG       CYS  39  -7.583  -2.614   1.414
  267    H    VAL  40           H        VAL  40  -4.481  -6.294   0.137
  268    HA   VAL  40           HA       VAL  40  -4.366  -8.736   1.710
  269    HB   VAL  40           HB       VAL  40  -4.386  -8.553  -0.876
  270   HG11  VAL  40          1HG1      VAL  40  -2.605  -6.950  -1.137
  271   HG12  VAL  40          2HG1      VAL  40  -2.165  -8.470  -1.916
  272   HG13  VAL  40          3HG1      VAL  40  -1.467  -8.045  -0.353
  273   HG21  VAL  40          3HG2      VAL  40  -2.368 -10.332   0.485
  274   HG22  VAL  40          1HG2      VAL  40  -3.079 -10.602  -1.105
  275   HG23  VAL  40          2HG2      VAL  40  -4.096 -10.650   0.336
  276    H    THR  41           H        THR  41  -2.115  -9.640   2.154
  277    HA   THR  41           HA       THR  41  -0.691  -7.560   3.582
  278    HB   THR  41           HB       THR  41   0.583  -9.498   4.560
  279    HG1  THR  41           HG1      THR  41  -0.522 -11.583   4.212
  280   HG21  THR  41          3HG2      THR  41  -1.266 -10.228   5.988
  281   HG22  THR  41          1HG2      THR  41  -2.423  -9.567   4.832
  282   HG23  THR  41          2HG2      THR  41  -1.333  -8.488   5.702
  283    H    GLY  42           H        GLY  42   1.173  -6.786   3.102
  284    HA2  GLY  42           2HA      GLY  42   3.381  -7.936   1.985
  285    HA3  GLY  42           1HA      GLY  42   2.440  -7.371   0.605
  286    H    GLU  43           H        GLU  43   3.725  -5.680  -0.022
  287    HA   GLU  43           HA       GLU  43   3.561  -3.372   1.753
  288    HB2  GLU  43           2HB      GLU  43   6.098  -4.186   0.317
  289    HB3  GLU  43           1HB      GLU  43   5.852  -2.646   1.130
  290    HG2  GLU  43           2HG      GLU  43   5.316  -4.133   3.196
  291    HG3  GLU  43           1HG      GLU  43   6.192  -5.370   2.298
  292    H    GLY  44           H        GLY  44   2.363  -1.993   0.711
  293    HA2  GLY  44           2HA      GLY  44   2.153  -2.130  -2.165
  294    HA3  GLY  44           1HA      GLY  44   1.156  -1.171  -1.081
  295    H    THR  45           H        THR  45   1.384   0.591  -2.434
  296    HA   THR  45           HA       THR  45   3.965   1.968  -2.234
  297    HB   THR  45           HB       THR  45   2.585   2.769  -4.615
  298    HG1  THR  45           HG1      THR  45   2.391   0.119  -4.103
  299   HG21  THR  45          3HG2      THR  45   4.694   2.174  -5.690
  300   HG22  THR  45          1HG2      THR  45   5.194   1.294  -4.245
  301   HG23  THR  45          2HG2      THR  45   4.986   3.044  -4.184
  302    HA   PRO  46           HA       PRO  46   1.497   5.359  -0.683
  303    HB2  PRO  46           2HB      PRO  46   3.501   6.982  -2.185
  304    HB3  PRO  46           1HB      PRO  46   2.974   7.127  -0.503
  305    HG2  PRO  46           2HG      PRO  46   5.344   6.066  -1.090
  306    HG3  PRO  46           1HG      PRO  46   4.345   5.395   0.214
  307    HD2  PRO  46           2HD      PRO  46   4.801   4.360  -2.553
  308    HD3  PRO  46           1HD      PRO  46   4.625   3.465  -1.029
  309    H    LYS  47           H        LYS  47  -0.122   6.636  -1.583
  310    HA   LYS  47           HA       LYS  47  -0.700   5.878  -4.303
  311    HB2  LYS  47           2HB      LYS  47  -2.377   5.584  -2.508
  312    HB3  LYS  47           1HB      LYS  47  -2.411   7.323  -2.260
  313    HG2  LYS  47           2HG      LYS  47  -2.992   7.339  -4.819
  314    HG3  LYS  47           1HG      LYS  47  -3.509   5.697  -4.469
  315    HD2  LYS  47           2HD      LYS  47  -5.155   6.387  -2.976
  316    HD3  LYS  47           1HD      LYS  47  -4.410   7.967  -2.736
  317    HE2  LYS  47           2HE      LYS  47  -4.971   8.477  -5.130
  318    HE3  LYS  47           1HE      LYS  47  -5.898   6.980  -5.164
  319    HZ1  LYS  47           3HZ      LYS  47  -7.334   7.815  -3.462
  320    HZ2  LYS  47           1HZ      LYS  47  -7.264   8.961  -4.707
  321    HZ3  LYS  47           2HZ      LYS  47  -6.399   9.216  -3.268
  322    HA   PRO  48           HA       PRO  48   0.646   9.910  -5.777
  323    HB2  PRO  48           2HB      PRO  48  -0.142   8.743  -8.361
  324    HB3  PRO  48           1HB      PRO  48   1.417   9.396  -7.855
  325    HG2  PRO  48           2HG      PRO  48   1.043   6.762  -8.211
  326    HG3  PRO  48           1HG      PRO  48   2.112   7.391  -6.943
  327    HD2  PRO  48           2HD      PRO  48  -0.690   6.351  -6.716
  328    HD3  PRO  48           1HD      PRO  48   0.702   6.080  -5.647
  329    H    GLN  49           H        GLN  49  -0.459  11.655  -6.471
  330    HA   GLN  49           HA       GLN  49  -3.227  11.579  -7.215
  331    HB2  GLN  49           2HB      GLN  49  -3.903  12.729  -4.986
  332    HB3  GLN  49           1HB      GLN  49  -3.757  10.974  -5.017
  333    HG2  GLN  49           2HG      GLN  49  -1.471  11.196  -4.108
  334    HG3  GLN  49           1HG      GLN  49  -1.714  12.933  -3.983
  335   HE21  GLN  49          1HE2      GLN  49  -1.148  10.913  -1.949
  336   HE22  GLN  49          2HE2      GLN  49  -2.407  11.061  -0.772
  337    H    SER  50           H        SER  50  -0.927  13.464  -5.337
  338    HA   SER  50           HA       SER  50  -0.953  15.610  -7.273
  339    HB2  SER  50           2HB      SER  50  -2.826  16.158  -5.710
  340    HB3  SER  50           1HB      SER  50  -1.692  16.080  -4.364
  341    HG   SER  50           HG       SER  50  -1.141  17.771  -6.548
  342    H    HIS  51           H        HIS  51   0.938  16.931  -7.026
  343    HA   HIS  51           HA       HIS  51   3.228  15.573  -6.506
  344    HB2  HIS  51           2HB      HIS  51   4.360  17.690  -6.632
  345    HB3  HIS  51           1HB      HIS  51   3.060  17.663  -7.792
  346    HD1  HIS  51           HD1      HIS  51   4.558  20.179  -6.380
  347    HD2  HIS  51           HD2      HIS  51   0.695  18.784  -5.696
  348    HE1  HIS  51           HE1      HIS  51   3.281  22.133  -5.453
  349    HE2  HIS  51           HE2      HIS  51   0.963  21.266  -4.997
  Start of MODEL    3
    1    H1   VAL   1           1H       VAL   1  -5.906  13.569   9.511
    2    H2   VAL   1           2H       VAL   1  -4.476  12.854  10.065
    3    H3   VAL   1           3H       VAL   1  -5.808  11.886   9.656
    4    HA   VAL   1           HA       VAL   1  -4.261  13.574   7.775
    5    HB   VAL   1           HB       VAL   1  -3.530  11.436   6.774
    6   HG11  VAL   1          1HG1      VAL   1  -2.841  11.723   9.695
    7   HG12  VAL   1          2HG1      VAL   1  -2.072  12.572   8.355
    8   HG13  VAL   1          3HG1      VAL   1  -1.904  10.825   8.501
    9   HG21  VAL   1          3HG2      VAL   1  -4.800  10.162   9.198
   10   HG22  VAL   1          1HG2      VAL   1  -3.802   9.336   8.000
   11   HG23  VAL   1          2HG2      VAL   1  -5.365  10.010   7.537
   12    H    VAL   2           H        VAL   2  -5.012  13.554   5.618
   13    HA   VAL   2           HA       VAL   2  -7.738  12.458   5.313
   14    HB   VAL   2           HB       VAL   2  -6.687  14.995   4.046
   15   HG11  VAL   2          1HG1      VAL   2  -9.016  15.334   3.358
   16   HG12  VAL   2          2HG1      VAL   2  -9.441  13.768   4.052
   17   HG13  VAL   2          3HG1      VAL   2  -8.341  13.853   2.678
   18   HG21  VAL   2          3HG2      VAL   2  -8.228  16.178   5.533
   19   HG22  VAL   2          1HG2      VAL   2  -7.007  15.293   6.446
   20   HG23  VAL   2          2HG2      VAL   2  -8.644  14.654   6.314
   21    H    TYR   3           H        TYR   3  -7.274  10.637   4.220
   22    HA   TYR   3           HA       TYR   3  -5.641  10.853   1.793
   23    HB2  TYR   3           2HB      TYR   3  -6.511   8.435   3.391
   24    HB3  TYR   3           1HB      TYR   3  -5.663   8.338   1.850
   25    HD1  TYR   3           HD2      TYR   3  -3.585  10.295   1.985
   26    HD2  TYR   3           HD1      TYR   3  -5.084   7.813   5.099
   27    HE1  TYR   3           HE2      TYR   3  -1.432  10.474   3.155
   28    HE2  TYR   3           HE1      TYR   3  -2.931   7.985   6.277
   29    HH   TYR   3           HH       TYR   3  -0.558  10.270   5.448
   30    H    THR   4           H        THR   4  -6.578   8.823   0.294
   31    HA   THR   4           HA       THR   4  -9.338   9.590  -0.297
   32    HB   THR   4           HB       THR   4  -8.480   9.367  -2.777
   33    HG1  THR   4           HG1      THR   4  -6.118  10.338  -1.503
   34   HG21  THR   4          3HG2      THR   4  -9.447  11.405  -1.841
   35   HG22  THR   4          1HG2      THR   4  -8.043  11.788  -2.838
   36   HG23  THR   4          2HG2      THR   4  -7.906  11.802  -1.080
   37    H    ASP   5           H        ASP   5  -9.872   8.027  -2.423
   38    HA   ASP   5           HA       ASP   5  -9.721   5.386  -1.215
   39    HB2  ASP   5           2HB      ASP   5 -11.202   6.278  -3.705
   40    HB3  ASP   5           1HB      ASP   5 -11.392   4.734  -2.888
   41    H    CYS   6           H        CYS   6  -8.837   3.582  -2.215
   42    HA   CYS   6           HA       CYS   6  -6.499   3.995  -3.699
   43    HB2  CYS   6           2HB      CYS   6  -8.037   1.410  -3.631
   44    HB3  CYS   6           1HB      CYS   6  -6.309   1.634  -3.865
   45    HG   CYS   6           HG       CYS   6  -8.078   1.975  -0.958
   46    H    THR   7           H        THR   7  -6.066   4.079  -5.797
   47    HA   THR   7           HA       THR   7  -8.332   3.800  -7.660
   48    HB   THR   7           HB       THR   7  -5.801   5.389  -8.083
   49    HG1  THR   7           HG1      THR   7  -8.183   6.021  -6.733
   50   HG21  THR   7          3HG2      THR   7  -7.133   6.569  -9.778
   51   HG22  THR   7          1HG2      THR   7  -8.518   5.538  -9.410
   52   HG23  THR   7          2HG2      THR   7  -7.063   4.843 -10.123
   53    H    GLU   8           H        GLU   8  -5.457   2.406  -6.675
   54    HA   GLU   8           HA       GLU   8  -5.057   1.051  -9.231
   55    HB2  GLU   8           2HB      GLU   8  -3.030   2.573  -7.624
   56    HB3  GLU   8           1HB      GLU   8  -2.533   1.271  -8.684
   57    HG2  GLU   8           2HG      GLU   8  -3.475   2.438 -10.593
   58    HG3  GLU   8           1HG      GLU   8  -4.060   3.721  -9.533
   59    H    SER   9           H        SER   9  -3.951  -0.926  -9.073
   60    HA   SER   9           HA       SER   9  -4.355  -2.290  -6.539
   61    HB2  SER   9           2HB      SER   9  -3.458  -3.369  -9.227
   62    HB3  SER   9           1HB      SER   9  -3.920  -4.332  -7.821
   63    HG   SER   9           HG       SER   9  -5.515  -2.788  -9.538
   64    H    GLY  10           H        GLY  10  -2.778  -2.513  -5.127
   65    HA2  GLY  10           2HA      GLY  10  -0.462  -3.117  -4.665
   66    HA3  GLY  10           1HA      GLY  10   0.003  -2.225  -6.106
   67    H    GLN  11           H        GLN  11  -2.374  -0.472  -4.706
   68    HA   GLN  11           HA       GLN  11  -0.459   1.259  -3.324
   69    HB2  GLN  11           2HB      GLN  11  -2.976   1.680  -4.716
   70    HB3  GLN  11           1HB      GLN  11  -3.002   2.419  -3.112
   71    HG2  GLN  11           2HG      GLN  11  -1.964   4.132  -4.051
   72    HG3  GLN  11           1HG      GLN  11  -0.537   3.111  -4.077
   73   HE21  GLN  11          1HE2      GLN  11  -3.014   4.609  -5.898
   74   HE22  GLN  11          2HE2      GLN  11  -2.367   4.253  -7.463
   75    H    ASN  12           H        ASN  12  -1.042   2.112  -1.148
   76    HA   ASN  12           HA       ASN  12  -2.767   0.267   0.330
   77    HB2  ASN  12           2HB      ASN  12  -1.064   0.374   2.233
   78    HB3  ASN  12           1HB      ASN  12  -0.754  -0.707   0.888
   79   HD21  ASN  12          1HD2      ASN  12   1.390  -0.730   1.549
   80   HD22  ASN  12          2HD2      ASN  12   2.473   0.558   1.141
   81    H    LEU  13           H        LEU  13  -0.791   3.172   0.852
   82    HA   LEU  13           HA       LEU  13  -2.258   4.159   3.033
   83    HB2  LEU  13           2HB      LEU  13  -0.418   5.506   1.071
   84    HB3  LEU  13           1HB      LEU  13  -1.140   6.364   2.419
   85    HG   LEU  13           HG       LEU  13   0.572   3.905   2.757
   86   HD11  LEU  13          1HD1      LEU  13   1.373   6.807   2.971
   87   HD12  LEU  13          2HD1      LEU  13   1.868   5.692   1.697
   88   HD13  LEU  13          3HD1      LEU  13   2.385   5.414   3.359
   89   HD21  LEU  13          3HD2      LEU  13  -0.224   6.062   4.706
   90   HD22  LEU  13          1HD2      LEU  13   0.705   4.607   5.059
   91   HD23  LEU  13          2HD2      LEU  13  -0.989   4.480   4.592
   92    H    CYS  14           H        CYS  14  -4.280   3.545   1.731
   93    HA   CYS  14           HA       CYS  14  -5.672   6.019   1.226
   94    HB2  CYS  14           2HB      CYS  14  -6.683   4.726  -0.890
   95    HB3  CYS  14           1HB      CYS  14  -5.302   5.802  -1.033
   96    HG   CYS  14           HG       CYS  14  -5.205   2.382  -0.862
   97    H    LEU  15           H        LEU  15  -8.082   5.570   1.125
   98    HA   LEU  15           HA       LEU  15  -8.720   3.401   2.923
   99    HB2  LEU  15           2HB      LEU  15 -11.150   4.383   1.984
  100    HB3  LEU  15           1HB      LEU  15 -10.360   4.785   3.490
  101    HG   LEU  15           HG       LEU  15  -9.738   6.353   1.005
  102   HD11  LEU  15          1HD1      LEU  15 -12.174   6.337   1.226
  103   HD12  LEU  15          2HD1      LEU  15 -11.507   7.919   1.626
  104   HD13  LEU  15          3HD1      LEU  15 -12.028   6.833   2.912
  105   HD21  LEU  15          3HD2      LEU  15  -9.245   8.102   2.628
  106   HD22  LEU  15          1HD2      LEU  15  -8.322   6.643   2.994
  107   HD23  LEU  15          2HD2      LEU  15  -9.754   7.046   3.947
  108    H    CYS  16           H        CYS  16  -8.452   1.497   2.003
  109    HA   CYS  16           HA       CYS  16  -9.166   0.895  -0.686
  110    HB2  CYS  16           2HB      CYS  16  -7.342  -0.315   0.277
  111    HB3  CYS  16           1HB      CYS  16  -8.313  -0.792   1.662
  112    HG   CYS  16           HG       CYS  16  -8.619  -1.961  -1.536
  113    H    GLU  17           H        GLU  17 -10.203  -0.880   2.166
  114    HA   GLU  17           HA       GLU  17 -12.798  -1.365   0.970
  115    HB2  GLU  17           2HB      GLU  17 -11.373  -3.013   2.379
  116    HB3  GLU  17           1HB      GLU  17 -11.968  -2.104   3.762
  117    HG2  GLU  17           2HG      GLU  17 -14.268  -2.628   3.102
  118    HG3  GLU  17           1HG      GLU  17 -13.648  -3.580   1.752
  119    H    GLY  18           H        GLY  18 -14.766  -0.766   1.983
  120    HA2  GLY  18           2HA      GLY  18 -15.986   1.204   2.624
  121    HA3  GLY  18           1HA      GLY  18 -15.766   0.242   4.070
  122    H    SER  19           H        SER  19 -14.353   0.931   5.665
  123    HA   SER  19           HA       SER  19 -13.262   3.643   5.301
  124    HB2  SER  19           2HB      SER  19 -13.526   3.775   7.844
  125    HB3  SER  19           1HB      SER  19 -15.008   3.840   6.891
  126    HG   SER  19           HG       SER  19 -15.499   2.330   8.340
  127    H    ASN  20           H        ASN  20 -12.171   0.784   5.035
  128    HA   ASN  20           HA       ASN  20 -10.106   0.659   7.037
  129    HB2  ASN  20           2HB      ASN  20 -10.668  -0.930   4.545
  130    HB3  ASN  20           1HB      ASN  20  -9.216  -1.183   5.513
  131   HD21  ASN  20          1HD2      ASN  20 -12.702  -1.256   5.544
  132   HD22  ASN  20          2HD2      ASN  20 -12.853  -2.315   6.889
  133    H    VAL  21           H        VAL  21  -8.858   2.356   6.951
  134    HA   VAL  21           HA       VAL  21  -7.651   3.235   4.450
  135    HB   VAL  21           HB       VAL  21  -7.119   4.255   7.252
  136   HG11  VAL  21          1HG1      VAL  21  -6.552   5.474   4.552
  137   HG12  VAL  21          2HG1      VAL  21  -5.357   4.792   5.656
  138   HG13  VAL  21          3HG1      VAL  21  -6.255   6.241   6.112
  139   HG21  VAL  21          3HG2      VAL  21  -9.044   5.283   5.172
  140   HG22  VAL  21          1HG2      VAL  21  -8.642   6.103   6.680
  141   HG23  VAL  21          2HG2      VAL  21  -9.467   4.544   6.715
  142    H    CYS  22           H        CYS  22  -6.195   1.779   3.769
  143    HA   CYS  22           HA       CYS  22  -4.639   0.249   5.635
  144    HB2  CYS  22           2HB      CYS  22  -5.411   0.018   2.859
  145    HB3  CYS  22           1HB      CYS  22  -3.678  -0.222   3.036
  146    HG   CYS  22           HG       CYS  22  -6.195  -2.188   3.995
  147    H    GLY  23           H        GLY  23  -2.298   0.027   5.438
  148    HA2  GLY  23           2HA      GLY  23  -0.931   2.423   4.477
  149    HA3  GLY  23           1HA      GLY  23  -0.784   2.017   6.182
  150    H    GLN  24           H        GLN  24   1.259   1.312   6.432
  151    HA   GLN  24           HA       GLN  24   2.510  -0.154   4.248
  152    HB2  GLN  24           2HB      GLN  24   3.775   1.670   5.259
  153    HB3  GLN  24           1HB      GLN  24   3.648   0.908   6.839
  154    HG2  GLN  24           2HG      GLN  24   5.050  -0.899   6.163
  155    HG3  GLN  24           1HG      GLN  24   5.021  -0.360   4.486
  156   HE21  GLN  24          1HE2      GLN  24   5.285   1.918   7.094
  157   HE22  GLN  24          2HE2      GLN  24   6.942   2.334   6.825
  158    H    GLY  25           H        GLY  25   3.079  -2.237   4.313
  159    HA2  GLY  25           2HA      GLY  25   3.393  -4.346   5.367
  160    HA3  GLY  25           1HA      GLY  25   2.406  -3.790   6.714
  161    H    ASN  26           H        ASN  26   0.729  -2.623   4.331
  162    HA   ASN  26           HA       ASN  26  -0.568  -5.143   3.534
  163    HB2  ASN  26           2HB      ASN  26  -1.883  -2.519   4.266
  164    HB3  ASN  26           1HB      ASN  26  -2.715  -3.839   3.452
  165   HD21  ASN  26          1HD2      ASN  26  -1.352  -2.715   6.430
  166   HD22  ASN  26          2HD2      ASN  26  -2.012  -3.958   7.436
  167    H    LYS  27           H        LYS  27  -1.795  -4.953   1.508
  168    HA   LYS  27           HA       LYS  27  -1.078  -2.729  -0.224
  169    HB2  LYS  27           2HB      LYS  27   0.745  -4.294  -0.588
  170    HB3  LYS  27           1HB      LYS  27  -0.393  -5.609  -0.844
  171    HG2  LYS  27           2HG      LYS  27  -1.034  -4.820  -2.931
  172    HG3  LYS  27           1HG      LYS  27  -0.436  -3.192  -2.608
  173    HD2  LYS  27           2HD      LYS  27   1.024  -4.340  -4.179
  174    HD3  LYS  27           1HD      LYS  27   1.867  -4.031  -2.660
  175    HE2  LYS  27           2HE      LYS  27   2.372  -6.260  -3.474
  176    HE3  LYS  27           1HE      LYS  27   1.448  -6.350  -1.975
  177    HZ1  LYS  27           3HZ      LYS  27   0.244  -6.601  -4.676
  178    HZ2  LYS  27           1HZ      LYS  27  -0.506  -6.893  -3.185
  179    HZ3  LYS  27           2HZ      LYS  27   0.721  -7.925  -3.727
  180    H    CYS  28           H        CYS  28  -2.930  -2.124  -1.214
  181    HA   CYS  28           HA       CYS  28  -5.178  -3.965  -1.236
  182    HB2  CYS  28           2HB      CYS  28  -5.748  -1.773  -0.495
  183    HB3  CYS  28           1HB      CYS  28  -4.918  -1.024  -1.852
  184    HG   CYS  28           HG       CYS  28  -6.764  -1.823  -3.763
  185    H    ILE  29           H        ILE  29  -6.075  -4.852  -3.009
  186    HA   ILE  29           HA       ILE  29  -5.006  -4.069  -5.622
  187    HB   ILE  29           HB       ILE  29  -5.365  -6.530  -6.270
  188   HG12  ILE  29          2HG1      ILE  29  -5.075  -6.801  -3.273
  189   HG13  ILE  29          1HG1      ILE  29  -6.527  -7.174  -4.196
  190   HG21  ILE  29          1HG2      ILE  29  -3.183  -5.455  -6.188
  191   HG22  ILE  29          2HG2      ILE  29  -3.079  -7.104  -5.569
  192   HG23  ILE  29          3HG2      ILE  29  -3.093  -5.741  -4.451
  193   HD11  ILE  29          3HD1      ILE  29  -5.360  -8.972  -5.336
  194   HD12  ILE  29          1HD1      ILE  29  -5.289  -9.185  -3.586
  195   HD13  ILE  29          2HD1      ILE  29  -3.877  -8.582  -4.458
  196    H    LEU  30           H        LEU  30  -6.450  -3.778  -7.163
  197    HA   LEU  30           HA       LEU  30  -9.272  -4.171  -6.490
  198    HB2  LEU  30           2HB      LEU  30  -7.998  -2.386  -8.572
  199    HB3  LEU  30           1HB      LEU  30  -9.715  -2.478  -8.218
  200    HG   LEU  30           HG       LEU  30  -7.677  -1.662  -6.165
  201   HD11  LEU  30          1HD1      LEU  30  -8.331   0.660  -6.636
  202   HD12  LEU  30          2HD1      LEU  30  -9.311   0.101  -7.992
  203   HD13  LEU  30          3HD1      LEU  30  -7.559  -0.095  -8.031
  204   HD21  LEU  30          3HD2      LEU  30  -9.828  -2.452  -5.321
  205   HD22  LEU  30          1HD2      LEU  30 -10.658  -1.264  -6.325
  206   HD23  LEU  30          2HD2      LEU  30  -9.603  -0.728  -5.016
  207    H    GLY  31           H        GLY  31  -9.306  -6.353  -7.070
  208    HA2  GLY  31           2HA      GLY  31  -8.886  -6.935  -9.934
  209    HA3  GLY  31           1HA      GLY  31  -8.798  -8.127  -8.649
  210    H    ARG  32           H        ARG  32 -10.563  -9.313  -8.225
  211    HA   ARG  32           HA       ARG  32 -13.207  -8.386  -8.931
  212    HB2  ARG  32           2HB      ARG  32 -13.741 -10.089 -10.519
  213    HB3  ARG  32           1HB      ARG  32 -12.270  -9.309 -11.076
  214    HG2  ARG  32           2HG      ARG  32 -12.217 -11.858  -9.494
  215    HG3  ARG  32           1HG      ARG  32 -12.404 -11.843 -11.247
  216    HD2  ARG  32           2HD      ARG  32 -10.273 -10.838 -11.548
  217    HD3  ARG  32           1HD      ARG  32 -10.119 -10.489  -9.828
  218    HE   ARG  32           HE       ARG  32 -10.391 -13.237 -10.048
  219   HH11  ARG  32          1HH1      ARG  32  -8.148 -10.803 -11.214
  220   HH12  ARG  32          2HH1      ARG  32  -6.759 -11.851 -11.117
  221   HH21  ARG  32          1HH2      ARG  32  -8.567 -14.606  -9.893
  222   HH22  ARG  32          2HH2      ARG  32  -6.997 -14.008 -10.348
  223    H    GLY  33           H        GLY  33 -14.865 -10.138  -8.401
  224    HA2  GLY  33           2HA      GLY  33 -15.742 -11.674  -6.935
  225    HA3  GLY  33           1HA      GLY  33 -14.122 -12.318  -6.738
  226    H    ASP  34           H        ASP  34 -13.411 -12.263  -4.750
  227    HA   ASP  34           HA       ASP  34 -14.451 -10.258  -2.882
  228    HB2  ASP  34           2HB      ASP  34 -12.762 -12.732  -2.440
  229    HB3  ASP  34           1HB      ASP  34 -13.217 -11.609  -1.162
  230    H    SER  35           H        SER  35 -11.845 -10.877  -4.896
  231    HA   SER  35           HA       SER  35  -9.993  -9.218  -3.352
  232    HB2  SER  35           2HB      SER  35  -9.328 -11.494  -4.307
  233    HB3  SER  35           1HB      SER  35  -9.415 -10.745  -5.898
  234    HG   SER  35           HG       SER  35  -7.288 -10.750  -4.970
  235    H    LYS  36           H        LYS  36 -12.368  -8.238  -4.794
  236    HA   LYS  36           HA       LYS  36 -11.430  -6.826  -7.124
  237    HB2  LYS  36           2HB      LYS  36 -13.678  -5.660  -6.916
  238    HB3  LYS  36           1HB      LYS  36 -13.738  -7.403  -7.137
  239    HG2  LYS  36           2HG      LYS  36 -14.832  -7.694  -5.230
  240    HG3  LYS  36           1HG      LYS  36 -13.676  -6.712  -4.333
  241    HD2  LYS  36           2HD      LYS  36 -15.831  -5.698  -4.130
  242    HD3  LYS  36           1HD      LYS  36 -14.843  -4.685  -5.185
  243    HE2  LYS  36           2HE      LYS  36 -15.920  -5.673  -7.146
  244    HE3  LYS  36           1HE      LYS  36 -16.902  -6.694  -6.095
  245    HZ1  LYS  36           3HZ      LYS  36 -17.864  -4.675  -5.131
  246    HZ2  LYS  36           1HZ      LYS  36 -18.151  -4.772  -6.800
  247    HZ3  LYS  36           2HZ      LYS  36 -16.957  -3.724  -6.206
  248    H    ASN  37           H        ASN  37 -11.795  -6.237  -3.762
  249    HA   ASN  37           HA       ASN  37 -10.246  -3.817  -3.842
  250    HB2  ASN  37           2HB      ASN  37 -12.469  -2.879  -4.175
  251    HB3  ASN  37           1HB      ASN  37 -13.135  -3.876  -2.889
  252   HD21  ASN  37          1HD2      ASN  37 -11.173  -1.102  -3.638
  253   HD22  ASN  37          2HD2      ASN  37 -11.218  -0.413  -2.055
  254    H    GLN  38           H        GLN  38  -8.835  -5.278  -2.759
  255    HA   GLN  38           HA       GLN  38  -9.703  -5.907  -0.026
  256    HB2  GLN  38           2HB      GLN  38  -9.974  -7.858  -1.616
  257    HB3  GLN  38           1HB      GLN  38  -8.223  -7.883  -1.757
  258    HG2  GLN  38           2HG      GLN  38  -8.696  -9.498  -0.165
  259    HG3  GLN  38           1HG      GLN  38  -8.201  -8.103   0.784
  260   HE21  GLN  38          1HE2      GLN  38 -10.810  -6.755   0.317
  261   HE22  GLN  38          2HE2      GLN  38 -11.928  -7.566   1.358
  262    H    CYS  39           H        CYS  39  -8.206  -5.751   1.514
  263    HA   CYS  39           HA       CYS  39  -5.577  -4.778   0.775
  264    HB2  CYS  39           2HB      CYS  39  -6.958  -5.037   3.439
  265    HB3  CYS  39           1HB      CYS  39  -5.337  -4.399   3.226
  266    HG   CYS  39           HG       CYS  39  -7.675  -2.894   1.358
  267    H    VAL  40           H        VAL  40  -4.422  -6.528   0.084
  268    HA   VAL  40           HA       VAL  40  -4.294  -8.905   1.746
  269    HB   VAL  40           HB       VAL  40  -4.347  -8.871  -0.816
  270   HG11  VAL  40          1HG1      VAL  40  -2.680  -7.173  -1.219
  271   HG12  VAL  40          2HG1      VAL  40  -2.172  -8.699  -1.943
  272   HG13  VAL  40          3HG1      VAL  40  -1.448  -8.155  -0.428
  273   HG21  VAL  40          3HG2      VAL  40  -2.214 -10.449   0.616
  274   HG22  VAL  40          1HG2      VAL  40  -2.863 -10.835  -0.976
  275   HG23  VAL  40          2HG2      VAL  40  -3.912 -10.891   0.439
  276    H    THR  41           H        THR  41  -2.056  -9.727   2.325
  277    HA   THR  41           HA       THR  41  -0.740  -7.514   3.662
  278    HB   THR  41           HB       THR  41   0.503  -9.362   4.857
  279    HG1  THR  41           HG1      THR  41  -0.027 -11.428   4.459
  280   HG21  THR  41          3HG2      THR  41  -2.513  -9.336   5.000
  281   HG22  THR  41          1HG2      THR  41  -1.415  -8.258   5.862
  282   HG23  THR  41          2HG2      THR  41  -1.438  -9.981   6.241
  283    H    GLY  42           H        GLY  42   1.140  -6.705   3.148
  284    HA2  GLY  42           2HA      GLY  42   3.415  -7.944   2.250
  285    HA3  GLY  42           1HA      GLY  42   2.517  -7.561   0.785
  286    H    GLU  43           H        GLU  43   3.578  -5.866  -0.085
  287    HA   GLU  43           HA       GLU  43   3.610  -3.438   1.554
  288    HB2  GLU  43           2HB      GLU  43   5.787  -2.776   0.552
  289    HB3  GLU  43           1HB      GLU  43   5.891  -4.164   1.623
  290    HG2  GLU  43           2HG      GLU  43   6.230  -5.651  -0.143
  291    HG3  GLU  43           1HG      GLU  43   5.648  -4.495  -1.343
  292    H    GLY  44           H        GLY  44   2.452  -1.951   0.617
  293    HA2  GLY  44           2HA      GLY  44   1.973  -2.110  -2.265
  294    HA3  GLY  44           1HA      GLY  44   1.002  -1.219  -1.105
  295    H    THR  45           H        THR  45   1.056   0.727  -2.104
  296    HA   THR  45           HA       THR  45   3.531   2.233  -1.868
  297    HB   THR  45           HB       THR  45   2.262   3.028  -4.317
  298    HG1  THR  45           HG1      THR  45   1.890   0.536  -4.069
  299   HG21  THR  45          3HG2      THR  45   4.568   3.549  -3.721
  300   HG22  THR  45          1HG2      THR  45   4.518   2.649  -5.236
  301   HG23  THR  45          2HG2      THR  45   4.978   1.835  -3.741
  302    HA   PRO  46           HA       PRO  46   0.699   5.362  -0.369
  303    HB2  PRO  46           2HB      PRO  46   2.667   7.261  -1.523
  304    HB3  PRO  46           1HB      PRO  46   2.050   7.151   0.127
  305    HG2  PRO  46           2HG      PRO  46   4.531   6.365  -0.470
  306    HG3  PRO  46           1HG      PRO  46   3.547   5.483   0.716
  307    HD2  PRO  46           2HD      PRO  46   4.177   4.786  -2.121
  308    HD3  PRO  46           1HD      PRO  46   4.046   3.728  -0.701
  309    H    LYS  47           H        LYS  47  -1.027   6.302  -1.322
  310    HA   LYS  47           HA       LYS  47  -1.127   6.277  -4.227
  311    HB2  LYS  47           2HB      LYS  47  -2.906   5.361  -2.549
  312    HB3  LYS  47           1HB      LYS  47  -3.404   7.046  -2.430
  313    HG2  LYS  47           2HG      LYS  47  -3.355   6.827  -5.075
  314    HG3  LYS  47           1HG      LYS  47  -3.653   5.141  -4.672
  315    HD2  LYS  47           2HD      LYS  47  -5.804   5.653  -4.461
  316    HD3  LYS  47           1HD      LYS  47  -5.375   6.599  -3.033
  317    HE2  LYS  47           2HE      LYS  47  -5.286   7.678  -5.837
  318    HE3  LYS  47           1HE      LYS  47  -6.697   7.824  -4.793
  319    HZ1  LYS  47           3HZ      LYS  47  -3.997   8.895  -4.167
  320    HZ2  LYS  47           1HZ      LYS  47  -5.401   9.104  -3.239
  321    HZ3  LYS  47           2HZ      LYS  47  -5.287   9.806  -4.778
  322    HA   PRO  48           HA       PRO  48  -0.290  10.731  -4.029
  323    HB2  PRO  48           2HB      PRO  48  -0.414  10.481  -6.963
  324    HB3  PRO  48           1HB      PRO  48   0.898  11.074  -5.940
  325    HG2  PRO  48           2HG      PRO  48   1.061   8.714  -7.201
  326    HG3  PRO  48           1HG      PRO  48   1.764   8.961  -5.592
  327    HD2  PRO  48           2HD      PRO  48  -0.806   7.618  -6.353
  328    HD3  PRO  48           1HD      PRO  48   0.403   7.134  -5.145
  329    H    GLN  49           H        GLN  49  -1.525  12.534  -4.380
  330    HA   GLN  49           HA       GLN  49  -4.097  12.209  -5.741
  331    HB2  GLN  49           2HB      GLN  49  -4.984  13.594  -3.628
  332    HB3  GLN  49           1HB      GLN  49  -5.022  11.841  -3.703
  333    HG2  GLN  49           2HG      GLN  49  -2.886  11.780  -2.470
  334    HG3  GLN  49           1HG      GLN  49  -2.960  13.535  -2.318
  335   HE21  GLN  49          1HE2      GLN  49  -4.434  14.457  -0.911
  336   HE22  GLN  49          2HE2      GLN  49  -5.313  13.535   0.260
  337    H    SER  50           H        SER  50  -1.801  14.349  -4.154
  338    HA   SER  50           HA       SER  50  -2.726  16.619  -5.727
  339    HB2  SER  50           2HB      SER  50  -0.432  16.382  -3.758
  340    HB3  SER  50           1HB      SER  50  -0.997  17.879  -4.500
  341    HG   SER  50           HG       SER  50  -1.805  17.125  -2.270
  342    H    HIS  51           H        HIS  51  -0.149  14.266  -5.560
  343    HA   HIS  51           HA       HIS  51   1.255  15.408  -7.836
  344    HB2  HIS  51           2HB      HIS  51   1.597  12.804  -6.376
  345    HB3  HIS  51           1HB      HIS  51   2.584  13.289  -7.737
  346    HD1  HIS  51           HD1      HIS  51   2.433  13.487  -4.106
  347    HD2  HIS  51           HD2      HIS  51   4.132  15.721  -7.186
  348    HE1  HIS  51           HE1      HIS  51   4.224  14.891  -3.033
  349    HE2  HIS  51           HE2      HIS  51   5.381  16.049  -4.951
  Start of MODEL    4
    1    H1   VAL   1           1H       VAL   1  -4.589  14.998   7.397
    2    H2   VAL   1           2H       VAL   1  -3.721  13.959   8.416
    3    H3   VAL   1           3H       VAL   1  -5.364  13.667   8.109
    4    HA   VAL   1           HA       VAL   1  -3.191  13.576   6.101
    5    HB   VAL   1           HB       VAL   1  -3.676  11.139   5.997
    6   HG11  VAL   1          1HG1      VAL   1  -1.755  11.938   7.242
    7   HG12  VAL   1          2HG1      VAL   1  -2.462  10.535   8.044
    8   HG13  VAL   1          3HG1      VAL   1  -2.752  12.155   8.679
    9   HG21  VAL   1          3HG2      VAL   1  -5.287  11.663   8.493
   10   HG22  VAL   1          1HG2      VAL   1  -4.850  10.069   7.877
   11   HG23  VAL   1          2HG2      VAL   1  -5.913  11.116   6.937
   12    H    VAL   2           H        VAL   2  -3.847  13.688   4.047
   13    HA   VAL   2           HA       VAL   2  -6.741  13.656   3.548
   14    HB   VAL   2           HB       VAL   2  -4.548  14.567   1.673
   15   HG11  VAL   2          1HG1      VAL   2  -6.384  15.692   0.489
   16   HG12  VAL   2          2HG1      VAL   2  -7.537  14.980   1.621
   17   HG13  VAL   2          3HG1      VAL   2  -6.607  13.943   0.539
   18   HG21  VAL   2          3HG2      VAL   2  -5.163  16.848   2.291
   19   HG22  VAL   2          1HG2      VAL   2  -4.578  15.947   3.691
   20   HG23  VAL   2          2HG2      VAL   2  -6.307  16.226   3.480
   21    H    TYR   3           H        TYR   3  -6.714  11.309   3.793
   22    HA   TYR   3           HA       TYR   3  -5.587   9.907   1.487
   23    HB2  TYR   3           2HB      TYR   3  -6.831   8.822   4.017
   24    HB3  TYR   3           1HB      TYR   3  -6.297   7.827   2.675
   25    HD1  TYR   3           HD2      TYR   3  -3.797   9.614   2.110
   26    HD2  TYR   3           HD1      TYR   3  -5.353   7.771   5.615
   27    HE1  TYR   3           HE2      TYR   3  -1.529   9.513   3.053
   28    HE2  TYR   3           HE1      TYR   3  -3.088   7.664   6.568
   29    HH   TYR   3           HH       TYR   3  -0.709   7.619   5.668
   30    H    THR   4           H        THR   4  -6.907   8.464   0.308
   31    HA   THR   4           HA       THR   4  -9.743   9.153   0.247
   32    HB   THR   4           HB       THR   4  -9.457   9.189  -2.334
   33    HG1  THR   4           HG1      THR   4  -6.801   9.890  -1.519
   34   HG21  THR   4          3HG2      THR   4  -8.392  11.475  -0.669
   35   HG22  THR   4          1HG2      THR   4 -10.090  11.157  -1.020
   36   HG23  THR   4          2HG2      THR   4  -8.986  11.595  -2.325
   37    H    ASP   5           H        ASP   5 -10.334   7.675  -2.102
   38    HA   ASP   5           HA       ASP   5 -10.081   5.005  -0.960
   39    HB2  ASP   5           2HB      ASP   5 -11.499   5.679  -3.544
   40    HB3  ASP   5           1HB      ASP   5 -11.829   4.358  -2.429
   41    H    CYS   6           H        CYS   6  -9.122   3.246  -2.081
   42    HA   CYS   6           HA       CYS   6  -6.735   3.866  -3.410
   43    HB2  CYS   6           2HB      CYS   6  -8.164   1.222  -3.588
   44    HB3  CYS   6           1HB      CYS   6  -6.440   1.527  -3.758
   45    HG   CYS   6           HG       CYS   6  -8.230   1.835  -0.849
   46    H    THR   7           H        THR   7  -6.192   4.093  -5.489
   47    HA   THR   7           HA       THR   7  -8.349   3.818  -7.474
   48    HB   THR   7           HB       THR   7  -5.863   5.518  -7.677
   49    HG1  THR   7           HG1      THR   7  -8.511   6.394  -7.070
   50   HG21  THR   7          3HG2      THR   7  -8.438   5.569  -9.256
   51   HG22  THR   7          1HG2      THR   7  -6.908   4.907  -9.824
   52   HG23  THR   7          2HG2      THR   7  -7.053   6.632  -9.492
   53    H    GLU   8           H        GLU   8  -5.069   2.976  -6.657
   54    HA   GLU   8           HA       GLU   8  -4.803   1.486  -9.179
   55    HB2  GLU   8           2HB      GLU   8  -2.826   2.976  -7.508
   56    HB3  GLU   8           1HB      GLU   8  -2.273   1.610  -8.448
   57    HG2  GLU   8           2HG      GLU   8  -1.852   3.429  -9.813
   58    HG3  GLU   8           1HG      GLU   8  -3.370   2.796 -10.442
   59    H    SER   9           H        SER   9  -3.820  -0.558  -9.098
   60    HA   SER   9           HA       SER   9  -4.271  -1.969  -6.592
   61    HB2  SER   9           2HB      SER   9  -3.447  -3.022  -9.315
   62    HB3  SER   9           1HB      SER   9  -3.949  -4.000  -7.930
   63    HG   SER   9           HG       SER   9  -5.535  -3.276  -9.732
   64    H    GLY  10           H        GLY  10  -2.670  -2.343  -5.207
   65    HA2  GLY  10           2HA      GLY  10  -0.359  -3.086  -4.862
   66    HA3  GLY  10           1HA      GLY  10   0.103  -2.056  -6.209
   67    H    GLN  11           H        GLN  11  -2.141  -0.314  -4.764
   68    HA   GLN  11           HA       GLN  11  -0.220   1.275  -3.243
   69    HB2  GLN  11           2HB      GLN  11  -2.699   1.758  -4.659
   70    HB3  GLN  11           1HB      GLN  11  -2.800   2.392  -3.020
   71    HG2  GLN  11           2HG      GLN  11  -1.651   4.160  -3.650
   72    HG3  GLN  11           1HG      GLN  11  -0.282   3.131  -4.053
   73   HE21  GLN  11          1HE2      GLN  11  -3.139   4.703  -5.252
   74   HE22  GLN  11          2HE2      GLN  11  -2.706   4.665  -6.930
   75    H    ASN  12           H        ASN  12  -1.028   2.150  -1.050
   76    HA   ASN  12           HA       ASN  12  -2.671   0.154   0.314
   77    HB2  ASN  12           2HB      ASN  12  -1.096   0.308   2.300
   78    HB3  ASN  12           1HB      ASN  12  -0.646  -0.714   0.949
   79   HD21  ASN  12          1HD2      ASN  12   1.457  -0.664   1.696
   80   HD22  ASN  12          2HD2      ASN  12   2.498   0.691   1.413
   81    H    LEU  13           H        LEU  13  -0.928   3.165   0.999
   82    HA   LEU  13           HA       LEU  13  -2.497   3.969   3.174
   83    HB2  LEU  13           2HB      LEU  13  -0.775   5.551   1.281
   84    HB3  LEU  13           1HB      LEU  13  -1.550   6.264   2.683
   85    HG   LEU  13           HG       LEU  13   0.394   3.960   2.837
   86   HD11  LEU  13          1HD1      LEU  13   0.860   6.908   3.271
   87   HD12  LEU  13          2HD1      LEU  13   1.527   5.925   1.967
   88   HD13  LEU  13          3HD1      LEU  13   2.011   5.623   3.637
   89   HD21  LEU  13          3HD2      LEU  13  -1.168   4.128   4.715
   90   HD22  LEU  13          1HD2      LEU  13  -0.712   5.815   4.944
   91   HD23  LEU  13          2HD2      LEU  13   0.475   4.539   5.206
   92    H    CYS  14           H        CYS  14  -4.481   3.277   1.854
   93    HA   CYS  14           HA       CYS  14  -6.003   5.684   1.371
   94    HB2  CYS  14           2HB      CYS  14  -6.931   4.348  -0.755
   95    HB3  CYS  14           1HB      CYS  14  -5.609   5.500  -0.880
   96    HG   CYS  14           HG       CYS  14  -4.925   2.217  -0.335
   97    H    LEU  15           H        LEU  15  -8.358   5.183   1.310
   98    HA   LEU  15           HA       LEU  15  -8.946   2.978   3.093
   99    HB2  LEU  15           2HB      LEU  15 -11.361   4.122   2.145
  100    HB3  LEU  15           1HB      LEU  15 -10.643   4.267   3.731
  101    HG   LEU  15           HG       LEU  15  -9.889   6.115   1.475
  102   HD11  LEU  15          1HD1      LEU  15 -12.301   6.253   1.791
  103   HD12  LEU  15          2HD1      LEU  15 -11.501   7.705   2.392
  104   HD13  LEU  15          3HD1      LEU  15 -12.070   6.477   3.524
  105   HD21  LEU  15          3HD2      LEU  15  -9.197   7.586   3.277
  106   HD22  LEU  15          1HD2      LEU  15  -8.386   6.028   3.422
  107   HD23  LEU  15          2HD2      LEU  15  -9.749   6.415   4.474
  108    H    CYS  16           H        CYS  16  -8.805   1.074   2.120
  109    HA   CYS  16           HA       CYS  16  -9.687   0.658  -0.582
  110    HB2  CYS  16           2HB      CYS  16  -7.694  -0.487   0.114
  111    HB3  CYS  16           1HB      CYS  16  -8.518  -1.181   1.501
  112    HG   CYS  16           HG       CYS  16  -7.912  -2.749  -1.100
  113    H    GLU  17           H        GLU  17 -10.314  -1.328   2.254
  114    HA   GLU  17           HA       GLU  17 -12.956  -2.017   1.336
  115    HB2  GLU  17           2HB      GLU  17 -11.196  -3.393   2.764
  116    HB3  GLU  17           1HB      GLU  17 -11.941  -2.542   4.106
  117    HG2  GLU  17           2HG      GLU  17 -13.589  -4.108   2.160
  118    HG3  GLU  17           1HG      GLU  17 -12.783  -4.887   3.520
  119    H    GLY  18           H        GLY  18 -14.879  -1.421   2.372
  120    HA2  GLY  18           2HA      GLY  18 -16.117   0.603   2.817
  121    HA3  GLY  18           1HA      GLY  18 -15.921  -0.260   4.328
  122    H    SER  19           H        SER  19 -14.405   0.493   5.856
  123    HA   SER  19           HA       SER  19 -13.494   3.258   5.380
  124    HB2  SER  19           2HB      SER  19 -13.713   3.560   7.847
  125    HB3  SER  19           1HB      SER  19 -15.253   3.252   7.045
  126    HG   SER  19           HG       SER  19 -15.457   1.495   8.179
  127    H    ASN  20           H        ASN  20 -12.349   0.289   5.413
  128    HA   ASN  20           HA       ASN  20 -10.270   0.382   7.374
  129    HB2  ASN  20           2HB      ASN  20 -10.738  -1.391   4.981
  130    HB3  ASN  20           1HB      ASN  20  -9.335  -1.564   6.024
  131   HD21  ASN  20          1HD2      ASN  20 -12.448  -0.629   7.275
  132   HD22  ASN  20          2HD2      ASN  20 -12.783  -2.115   8.085
  133    H    VAL  21           H        VAL  21  -8.755   1.860   7.250
  134    HA   VAL  21           HA       VAL  21  -7.769   2.800   4.675
  135    HB   VAL  21           HB       VAL  21  -6.884   3.660   7.439
  136   HG11  VAL  21          1HG1      VAL  21  -6.589   4.960   4.735
  137   HG12  VAL  21          2HG1      VAL  21  -5.302   4.235   5.700
  138   HG13  VAL  21          3HG1      VAL  21  -6.122   5.688   6.272
  139   HG21  VAL  21          3HG2      VAL  21  -9.231   4.094   7.298
  140   HG22  VAL  21          1HG2      VAL  21  -9.062   4.770   5.679
  141   HG23  VAL  21          2HG2      VAL  21  -8.381   5.622   7.065
  142    H    CYS  22           H        CYS  22  -6.488   1.274   3.806
  143    HA   CYS  22           HA       CYS  22  -4.758  -0.402   5.293
  144    HB2  CYS  22           2HB      CYS  22  -5.646  -0.195   2.597
  145    HB3  CYS  22           1HB      CYS  22  -3.889  -0.175   2.574
  146    HG   CYS  22           HG       CYS  22  -4.751  -2.529   4.634
  147    H    GLY  23           H        GLY  23  -2.437  -0.408   5.287
  148    HA2  GLY  23           2HA      GLY  23  -1.127   2.064   4.476
  149    HA3  GLY  23           1HA      GLY  23  -1.097   1.672   6.190
  150    H    GLN  24           H        GLN  24   0.801   0.867   6.743
  151    HA   GLN  24           HA       GLN  24   2.443  -0.367   4.686
  152    HB2  GLN  24           2HB      GLN  24   2.958   0.740   7.423
  153    HB3  GLN  24           1HB      GLN  24   4.112  -0.382   6.717
  154    HG2  GLN  24           2HG      GLN  24   4.679   2.018   6.384
  155    HG3  GLN  24           1HG      GLN  24   4.551   1.090   4.893
  156   HE21  GLN  24          1HE2      GLN  24   2.959   1.572   3.431
  157   HE22  GLN  24          2HE2      GLN  24   1.952   2.973   3.562
  158    H    GLY  25           H        GLY  25   3.047  -2.434   4.633
  159    HA2  GLY  25           2HA      GLY  25   3.216  -4.648   5.376
  160    HA3  GLY  25           1HA      GLY  25   2.231  -4.247   6.780
  161    H    ASN  26           H        ASN  26   0.744  -2.857   4.261
  162    HA   ASN  26           HA       ASN  26  -0.630  -5.288   3.367
  163    HB2  ASN  26           2HB      ASN  26  -1.893  -2.759   4.392
  164    HB3  ASN  26           1HB      ASN  26  -2.757  -3.873   3.338
  165   HD21  ASN  26          1HD2      ASN  26  -1.580  -3.279   6.513
  166   HD22  ASN  26          2HD2      ASN  26  -2.273  -4.684   7.256
  167    H    LYS  27           H        LYS  27  -1.900  -4.940   1.418
  168    HA   LYS  27           HA       LYS  27  -1.164  -2.670  -0.222
  169    HB2  LYS  27           2HB      LYS  27   0.672  -4.244  -0.602
  170    HB3  LYS  27           1HB      LYS  27  -0.479  -5.519  -0.974
  171    HG2  LYS  27           2HG      LYS  27  -0.980  -4.658  -3.034
  172    HG3  LYS  27           1HG      LYS  27  -0.510  -3.017  -2.584
  173    HD2  LYS  27           2HD      LYS  27   1.139  -3.887  -4.092
  174    HD3  LYS  27           1HD      LYS  27   1.853  -3.781  -2.483
  175    HE2  LYS  27           2HE      LYS  27   2.558  -5.854  -3.281
  176    HE3  LYS  27           1HE      LYS  27   1.191  -6.245  -2.238
  177    HZ1  LYS  27           3HZ      LYS  27   1.088  -5.997  -5.198
  178    HZ2  LYS  27           1HZ      LYS  27  -0.213  -6.407  -4.196
  179    HZ3  LYS  27           2HZ      LYS  27   1.109  -7.456  -4.336
  180    H    CYS  28           H        CYS  28  -3.010  -2.066  -1.267
  181    HA   CYS  28           HA       CYS  28  -5.202  -3.973  -1.398
  182    HB2  CYS  28           2HB      CYS  28  -5.835  -1.782  -0.621
  183    HB3  CYS  28           1HB      CYS  28  -5.083  -1.025  -2.017
  184    HG   CYS  28           HG       CYS  28  -7.584  -0.696  -2.754
  185    H    ILE  29           H        ILE  29  -5.859  -4.962  -3.173
  186    HA   ILE  29           HA       ILE  29  -4.876  -3.967  -5.759
  187    HB   ILE  29           HB       ILE  29  -5.131  -6.428  -6.496
  188   HG12  ILE  29          2HG1      ILE  29  -4.762  -6.784  -3.518
  189   HG13  ILE  29          1HG1      ILE  29  -6.225  -7.179  -4.415
  190   HG21  ILE  29          1HG2      ILE  29  -2.817  -6.906  -5.842
  191   HG22  ILE  29          2HG2      ILE  29  -2.877  -5.571  -4.689
  192   HG23  ILE  29          3HG2      ILE  29  -3.011  -5.250  -6.420
  193   HD11  ILE  29          3HD1      ILE  29  -4.904  -9.165  -3.933
  194   HD12  ILE  29          1HD1      ILE  29  -3.532  -8.472  -4.796
  195   HD13  ILE  29          2HD1      ILE  29  -5.011  -8.875  -5.669
  196    H    LEU  30           H        LEU  30  -6.498  -3.100  -6.797
  197    HA   LEU  30           HA       LEU  30  -9.220  -3.988  -6.389
  198    HB2  LEU  30           2HB      LEU  30  -8.097  -1.806  -8.163
  199    HB3  LEU  30           1HB      LEU  30  -9.801  -2.136  -7.930
  200    HG   LEU  30           HG       LEU  30  -9.262  -1.694  -5.407
  201   HD11  LEU  30          1HD1      LEU  30  -6.861  -1.571  -5.605
  202   HD12  LEU  30          2HD1      LEU  30  -7.502  -0.008  -5.108
  203   HD13  LEU  30          3HD1      LEU  30  -6.995  -0.260  -6.777
  204   HD21  LEU  30          3HD2      LEU  30  -9.771   0.669  -5.730
  205   HD22  LEU  30          1HD2      LEU  30 -10.754  -0.347  -6.785
  206   HD23  LEU  30          2HD2      LEU  30  -9.368   0.528  -7.441
  207    H    GLY  31           H        GLY  31  -8.947  -6.105  -7.287
  208    HA2  GLY  31           2HA      GLY  31  -8.268  -6.263 -10.129
  209    HA3  GLY  31           1HA      GLY  31  -8.435  -7.618  -9.022
  210    H    ARG  32           H        ARG  32 -10.248  -8.764  -9.104
  211    HA   ARG  32           HA       ARG  32 -12.703  -7.678 -10.169
  212    HB2  ARG  32           2HB      ARG  32 -11.168  -8.242 -12.134
  213    HB3  ARG  32           1HB      ARG  32 -11.342  -9.923 -11.659
  214    HG2  ARG  32           2HG      ARG  32 -13.724  -9.824 -12.062
  215    HG3  ARG  32           1HG      ARG  32 -13.608  -8.103 -12.449
  216    HD2  ARG  32           2HD      ARG  32 -13.672  -9.331 -14.505
  217    HD3  ARG  32           1HD      ARG  32 -12.043  -8.684 -14.287
  218    HE   ARG  32           HE       ARG  32 -12.773 -11.493 -13.722
  219   HH11  ARG  32          1HH1      ARG  32 -10.554  -9.085 -14.973
  220   HH12  ARG  32          2HH1      ARG  32  -9.320 -10.245 -15.366
  221   HH21  ARG  32          1HH2      ARG  32 -11.176 -13.019 -14.261
  222   HH22  ARG  32          2HH2      ARG  32  -9.677 -12.488 -14.987
  223    H    GLY  33           H        GLY  33 -14.465  -9.233  -9.998
  224    HA2  GLY  33           2HA      GLY  33 -15.344 -11.308  -9.249
  225    HA3  GLY  33           1HA      GLY  33 -13.818 -11.658  -8.481
  226    H    ASP  34           H        ASP  34 -14.537 -12.081  -6.467
  227    HA   ASP  34           HA       ASP  34 -15.871  -9.957  -4.964
  228    HB2  ASP  34           2HB      ASP  34 -16.262 -12.426  -4.484
  229    HB3  ASP  34           1HB      ASP  34 -14.595 -12.515  -3.928
  230    H    SER  35           H        SER  35 -13.017 -10.777  -6.216
  231    HA   SER  35           HA       SER  35 -11.219  -9.638  -4.243
  232    HB2  SER  35           2HB      SER  35 -10.829 -10.813  -6.992
  233    HB3  SER  35           1HB      SER  35  -9.533 -10.364  -5.909
  234    HG   SER  35           HG       SER  35 -10.266 -11.945  -4.443
  235    H    LYS  36           H        LYS  36 -13.293  -8.094  -5.721
  236    HA   LYS  36           HA       LYS  36 -12.250  -6.589  -7.833
  237    HB2  LYS  36           2HB      LYS  36 -14.054  -4.943  -7.176
  238    HB3  LYS  36           1HB      LYS  36 -14.595  -6.591  -7.476
  239    HG2  LYS  36           2HG      LYS  36 -14.647  -7.026  -5.083
  240    HG3  LYS  36           1HG      LYS  36 -14.085  -5.387  -4.768
  241    HD2  LYS  36           2HD      LYS  36 -16.617  -6.112  -6.198
  242    HD3  LYS  36           1HD      LYS  36 -16.531  -5.659  -4.500
  243    HE2  LYS  36           2HE      LYS  36 -15.644  -3.898  -6.781
  244    HE3  LYS  36           1HE      LYS  36 -17.242  -3.821  -6.042
  245    HZ1  LYS  36           3HZ      LYS  36 -16.178  -3.301  -3.921
  246    HZ2  LYS  36           1HZ      LYS  36 -15.799  -2.154  -5.111
  247    HZ3  LYS  36           2HZ      LYS  36 -14.656  -3.323  -4.666
  248    H    ASN  37           H        ASN  37 -12.178  -6.038  -4.374
  249    HA   ASN  37           HA       ASN  37  -9.748  -4.556  -4.672
  250    HB2  ASN  37           2HB      ASN  37 -10.423  -2.612  -3.451
  251    HB3  ASN  37           1HB      ASN  37 -11.584  -2.833  -4.753
  252   HD21  ASN  37          1HD2      ASN  37 -11.067  -2.793  -1.357
  253   HD22  ASN  37          2HD2      ASN  37 -12.721  -2.949  -0.899
  254    H    GLN  38           H        GLN  38  -8.382  -5.198  -3.051
  255    HA   GLN  38           HA       GLN  38  -9.558  -6.285  -0.610
  256    HB2  GLN  38           2HB      GLN  38  -9.432  -8.204  -2.091
  257    HB3  GLN  38           1HB      GLN  38  -7.746  -7.862  -2.440
  258    HG2  GLN  38           2HG      GLN  38  -7.863  -9.680  -0.906
  259    HG3  GLN  38           1HG      GLN  38  -7.213  -8.287  -0.064
  260   HE21  GLN  38          1HE2      GLN  38  -8.274  -7.507   1.691
  261   HE22  GLN  38          2HE2      GLN  38  -9.713  -8.208   2.342
  262    H    CYS  39           H        CYS  39  -8.365  -5.970   1.142
  263    HA   CYS  39           HA       CYS  39  -5.757  -4.728   0.902
  264    HB2  CYS  39           2HB      CYS  39  -7.594  -5.276   3.216
  265    HB3  CYS  39           1HB      CYS  39  -5.954  -4.695   3.455
  266    HG   CYS  39           HG       CYS  39  -6.301  -2.243   2.379
  267    H    VAL  40           H        VAL  40  -4.534  -6.472   0.095
  268    HA   VAL  40           HA       VAL  40  -4.338  -8.878   1.714
  269    HB   VAL  40           HB       VAL  40  -4.302  -8.775  -0.866
  270   HG11  VAL  40          1HG1      VAL  40  -2.627  -7.039  -1.111
  271   HG12  VAL  40          2HG1      VAL  40  -2.104  -8.531  -1.893
  272   HG13  VAL  40          3HG1      VAL  40  -1.424  -8.067  -0.331
  273   HG21  VAL  40          3HG2      VAL  40  -2.210 -10.357   0.625
  274   HG22  VAL  40          1HG2      VAL  40  -2.787 -10.710  -1.004
  275   HG23  VAL  40          2HG2      VAL  40  -3.892 -10.818   0.364
  276    H    THR  41           H        THR  41  -2.200  -9.620   2.439
  277    HA   THR  41           HA       THR  41  -0.805  -7.389   3.653
  278    HB   THR  41           HB       THR  41   0.464  -9.397   4.764
  279    HG1  THR  41           HG1      THR  41  -1.981 -10.659   4.012
  280   HG21  THR  41          3HG2      THR  41  -1.298  -9.546   6.468
  281   HG22  THR  41          1HG2      THR  41  -2.434  -8.787   5.357
  282   HG23  THR  41          2HG2      THR  41  -1.044  -7.882   5.949
  283    H    GLY  42           H        GLY  42   1.112  -6.688   3.132
  284    HA2  GLY  42           2HA      GLY  42   3.272  -8.045   2.085
  285    HA3  GLY  42           1HA      GLY  42   2.334  -7.512   0.697
  286    H    GLU  43           H        GLU  43   3.537  -5.886  -0.119
  287    HA   GLU  43           HA       GLU  43   3.829  -3.546   1.617
  288    HB2  GLU  43           2HB      GLU  43   5.995  -2.996   0.558
  289    HB3  GLU  43           1HB      GLU  43   6.057  -4.489   1.481
  290    HG2  GLU  43           2HG      GLU  43   6.070  -5.805  -0.486
  291    HG3  GLU  43           1HG      GLU  43   5.670  -4.414  -1.496
  292    H    GLY  44           H        GLY  44   2.572  -2.030   0.819
  293    HA2  GLY  44           2HA      GLY  44   1.962  -2.044  -2.036
  294    HA3  GLY  44           1HA      GLY  44   1.079  -1.177  -0.792
  295    H    THR  45           H        THR  45   1.124   0.729  -1.904
  296    HA   THR  45           HA       THR  45   3.641   2.198  -1.745
  297    HB   THR  45           HB       THR  45   2.487   3.242  -4.025
  298    HG1  THR  45           HG1      THR  45   1.956   0.503  -3.872
  299   HG21  THR  45          3HG2      THR  45   4.879   2.911  -3.656
  300   HG22  THR  45          1HG2      THR  45   4.388   2.246  -5.214
  301   HG23  THR  45          2HG2      THR  45   4.676   1.170  -3.847
  302    HA   PRO  46           HA       PRO  46   0.989   5.338   0.017
  303    HB2  PRO  46           2HB      PRO  46   2.899   7.225  -1.252
  304    HB3  PRO  46           1HB      PRO  46   2.402   7.104   0.438
  305    HG2  PRO  46           2HG      PRO  46   4.818   6.280  -0.336
  306    HG3  PRO  46           1HG      PRO  46   3.900   5.388   0.893
  307    HD2  PRO  46           2HD      PRO  46   4.314   4.752  -2.000
  308    HD3  PRO  46           1HD      PRO  46   4.275   3.659  -0.600
  309    H    LYS  47           H        LYS  47  -0.823   6.214  -0.822
  310    HA   LYS  47           HA       LYS  47  -1.061   6.267  -3.703
  311    HB2  LYS  47           2HB      LYS  47  -2.741   5.183  -2.134
  312    HB3  LYS  47           1HB      LYS  47  -3.220   6.814  -1.673
  313    HG2  LYS  47           2HG      LYS  47  -3.271   6.947  -4.390
  314    HG3  LYS  47           1HG      LYS  47  -3.803   5.298  -4.077
  315    HD2  LYS  47           2HD      LYS  47  -5.656   5.998  -2.852
  316    HD3  LYS  47           1HD      LYS  47  -4.984   7.611  -2.592
  317    HE2  LYS  47           2HE      LYS  47  -5.180   8.031  -5.021
  318    HE3  LYS  47           1HE      LYS  47  -5.960   6.462  -5.198
  319    HZ1  LYS  47           3HZ      LYS  47  -7.524   8.341  -5.077
  320    HZ2  LYS  47           1HZ      LYS  47  -7.007   8.657  -3.494
  321    HZ3  LYS  47           2HZ      LYS  47  -7.774   7.191  -3.866
  322    HA   PRO  48           HA       PRO  48  -0.628  10.777  -3.599
  323    HB2  PRO  48           2HB      PRO  48  -0.716  10.524  -6.505
  324    HB3  PRO  48           1HB      PRO  48   0.593  11.117  -5.480
  325    HG2  PRO  48           2HG      PRO  48   0.747   8.776  -6.832
  326    HG3  PRO  48           1HG      PRO  48   1.552   9.039  -5.274
  327    HD2  PRO  48           2HD      PRO  48  -1.016   7.608  -5.865
  328    HD3  PRO  48           1HD      PRO  48   0.291   7.161  -4.746
  329    H    GLN  49           H        GLN  49  -1.999  12.400  -4.016
  330    HA   GLN  49           HA       GLN  49  -4.724  11.609  -4.752
  331    HB2  GLN  49           2HB      GLN  49  -5.170  13.975  -3.745
  332    HB3  GLN  49           1HB      GLN  49  -4.809  12.616  -2.697
  333    HG2  GLN  49           2HG      GLN  49  -2.555  13.304  -2.440
  334    HG3  GLN  49           1HG      GLN  49  -2.751  14.580  -3.630
  335   HE21  GLN  49          1HE2      GLN  49  -1.849  14.804  -0.926
  336   HE22  GLN  49          2HE2      GLN  49  -2.953  15.851  -0.095
  337    H    SER  50           H        SER  50  -2.070  12.895  -6.052
  338    HA   SER  50           HA       SER  50  -3.306  14.920  -7.714
  339    HB2  SER  50           2HB      SER  50  -0.924  15.013  -8.675
  340    HB3  SER  50           1HB      SER  50  -1.131  15.487  -6.988
  341    HG   SER  50           HG       SER  50   0.647  14.022  -7.373
  342    H    HIS  51           H        HIS  51  -4.674  12.757  -8.357
  343    HA   HIS  51           HA       HIS  51  -3.438  11.270 -10.493
  344    HB2  HIS  51           2HB      HIS  51  -6.201  11.377  -9.368
  345    HB3  HIS  51           1HB      HIS  51  -5.911  10.582 -10.905
  346    HD1  HIS  51           HD1      HIS  51  -5.791   9.969  -7.313
  347    HD2  HIS  51           HD2      HIS  51  -4.021   8.385 -10.726
  348    HE1  HIS  51           HE1      HIS  51  -4.837   7.751  -6.618
  349    HE2  HIS  51           HE2      HIS  51  -3.990   6.709  -8.752
  Start of MODEL    5
    1    H1   VAL   1           1H       VAL   1  -2.105  15.059   7.362
    2    H2   VAL   1           2H       VAL   1  -3.567  14.284   7.731
    3    H3   VAL   1           3H       VAL   1  -3.570  15.701   6.804
    4    HA   VAL   1           HA       VAL   1  -2.406  14.600   5.028
    5    HB   VAL   1           HB       VAL   1  -2.105  12.164   5.062
    6   HG11  VAL   1          1HG1      VAL   1  -0.759  13.621   7.331
    7   HG12  VAL   1          2HG1      VAL   1  -0.208  13.517   5.658
    8   HG13  VAL   1          3HG1      VAL   1  -0.227  12.074   6.672
    9   HG21  VAL   1          3HG2      VAL   1  -2.292  10.905   7.153
   10   HG22  VAL   1          1HG2      VAL   1  -3.848  11.573   6.665
   11   HG23  VAL   1          2HG2      VAL   1  -2.928  12.338   7.961
   12    H    VAL   2           H        VAL   2  -3.693  13.953   3.329
   13    HA   VAL   2           HA       VAL   2  -6.501  13.414   4.058
   14    HB   VAL   2           HB       VAL   2  -5.477  14.694   1.515
   15   HG11  VAL   2          1HG1      VAL   2  -8.287  14.392   2.571
   16   HG12  VAL   2          2HG1      VAL   2  -7.586  13.482   1.233
   17   HG13  VAL   2          3HG1      VAL   2  -7.820  15.226   1.089
   18   HG21  VAL   2          3HG2      VAL   2  -5.098  16.190   3.371
   19   HG22  VAL   2          1HG2      VAL   2  -6.744  15.940   3.953
   20   HG23  VAL   2          2HG2      VAL   2  -6.467  16.773   2.425
   21    H    TYR   3           H        TYR   3  -6.742  11.249   3.928
   22    HA   TYR   3           HA       TYR   3  -5.605   9.816   1.661
   23    HB2  TYR   3           2HB      TYR   3  -7.196   8.863   4.044
   24    HB3  TYR   3           1HB      TYR   3  -6.690   7.811   2.731
   25    HD1  TYR   3           HD2      TYR   3  -3.936   9.222   2.376
   26    HD2  TYR   3           HD1      TYR   3  -6.002   7.659   5.753
   27    HE1  TYR   3           HE2      TYR   3  -1.788   8.825   3.502
   28    HE2  TYR   3           HE1      TYR   3  -3.859   7.256   6.883
   29    HH   TYR   3           HH       TYR   3  -0.897   8.534   5.737
   30    H    THR   4           H        THR   4  -6.971   8.399   0.392
   31    HA   THR   4           HA       THR   4  -9.752   9.230   0.137
   32    HB   THR   4           HB       THR   4  -9.286   9.105  -2.448
   33    HG1  THR   4           HG1      THR   4  -6.779  10.173  -1.670
   34   HG21  THR   4          3HG2      THR   4  -8.423  11.508  -0.830
   35   HG22  THR   4          1HG2      THR   4 -10.083  11.108  -1.266
   36   HG23  THR   4          2HG2      THR   4  -8.918  11.518  -2.524
   37    H    ASP   5           H        ASP   5 -10.344   7.710  -2.142
   38    HA   ASP   5           HA       ASP   5 -10.103   5.024  -1.038
   39    HB2  ASP   5           2HB      ASP   5 -11.525   5.953  -3.553
   40    HB3  ASP   5           1HB      ASP   5 -11.695   4.384  -2.776
   41    H    CYS   6           H        CYS   6  -9.189   3.272  -2.232
   42    HA   CYS   6           HA       CYS   6  -6.788   3.905  -3.540
   43    HB2  CYS   6           2HB      CYS   6  -8.260   1.292  -3.795
   44    HB3  CYS   6           1HB      CYS   6  -6.534   1.579  -3.963
   45    HG   CYS   6           HG       CYS   6  -5.918   1.668  -1.398
   46    H    THR   7           H        THR   7  -6.236   4.140  -5.621
   47    HA   THR   7           HA       THR   7  -8.446   4.059  -7.562
   48    HB   THR   7           HB       THR   7  -7.449   6.297  -7.019
   49    HG1  THR   7           HG1      THR   7  -8.336   5.448  -9.234
   50   HG21  THR   7          3HG2      THR   7  -5.285   6.868  -8.077
   51   HG22  THR   7          1HG2      THR   7  -5.051   5.161  -8.455
   52   HG23  THR   7          2HG2      THR   7  -5.121   5.691  -6.774
   53    H    GLU   8           H        GLU   8  -5.350   2.864  -6.738
   54    HA   GLU   8           HA       GLU   8  -5.250   1.375  -9.259
   55    HB2  GLU   8           2HB      GLU   8  -3.296   3.276  -8.198
   56    HB3  GLU   8           1HB      GLU   8  -2.597   1.711  -8.586
   57    HG2  GLU   8           2HG      GLU   8  -4.261   3.329 -10.495
   58    HG3  GLU   8           1HG      GLU   8  -2.500   3.393 -10.416
   59    H    SER   9           H        SER   9  -4.151  -0.641  -9.112
   60    HA   SER   9           HA       SER   9  -4.379  -1.857  -6.488
   61    HB2  SER   9           2HB      SER   9  -3.551  -3.114  -9.123
   62    HB3  SER   9           1HB      SER   9  -4.094  -3.954  -7.665
   63    HG   SER   9           HG       SER   9  -5.593  -2.318  -9.425
   64    H    GLY  10           H        GLY  10  -2.692  -2.223  -5.172
   65    HA2  GLY  10           2HA      GLY  10  -0.315  -2.753  -4.895
   66    HA3  GLY  10           1HA      GLY  10   0.013  -1.699  -6.263
   67    H    GLN  11           H        GLN  11  -2.275  -0.059  -4.887
   68    HA   GLN  11           HA       GLN  11  -0.484   1.557  -3.243
   69    HB2  GLN  11           2HB      GLN  11  -3.026   2.015  -4.677
   70    HB3  GLN  11           1HB      GLN  11  -2.908   2.836  -3.121
   71    HG2  GLN  11           2HG      GLN  11  -1.676   4.394  -4.030
   72    HG3  GLN  11           1HG      GLN  11  -0.459   3.210  -4.477
   73   HE21  GLN  11          1HE2      GLN  11  -3.243   5.007  -5.521
   74   HE22  GLN  11          2HE2      GLN  11  -2.987   4.783  -7.212
   75    H    ASN  12           H        ASN  12  -1.119   2.203  -1.054
   76    HA   ASN  12           HA       ASN  12  -2.874   0.209   0.180
   77    HB2  ASN  12           2HB      ASN  12  -1.289   0.282   2.193
   78    HB3  ASN  12           1HB      ASN  12  -0.849  -0.683   0.797
   79   HD21  ASN  12          1HD2      ASN  12   1.280  -0.652   1.459
   80   HD22  ASN  12          2HD2      ASN  12   2.290   0.733   1.231
   81    H    LEU  13           H        LEU  13  -1.125   3.155   1.140
   82    HA   LEU  13           HA       LEU  13  -2.785   3.888   3.250
   83    HB2  LEU  13           2HB      LEU  13  -1.048   5.590   1.473
   84    HB3  LEU  13           1HB      LEU  13  -1.817   6.179   2.935
   85    HG   LEU  13           HG       LEU  13   0.160   3.896   2.881
   86   HD11  LEU  13          1HD1      LEU  13   0.584   6.802   3.585
   87   HD12  LEU  13          2HD1      LEU  13   1.236   5.971   2.172
   88   HD13  LEU  13          3HD1      LEU  13   1.765   5.510   3.789
   89   HD21  LEU  13          3HD2      LEU  13  -0.837   5.567   5.183
   90   HD22  LEU  13          1HD2      LEU  13   0.210   4.150   5.264
   91   HD23  LEU  13          2HD2      LEU  13  -1.473   3.979   4.768
   92    H    CYS  14           H        CYS  14  -4.740   3.270   1.904
   93    HA   CYS  14           HA       CYS  14  -6.240   5.696   1.436
   94    HB2  CYS  14           2HB      CYS  14  -7.141   4.414  -0.730
   95    HB3  CYS  14           1HB      CYS  14  -5.790   5.535  -0.814
   96    HG   CYS  14           HG       CYS  14  -4.580   2.598  -0.095
   97    H    LEU  15           H        LEU  15  -8.607   5.181   1.337
   98    HA   LEU  15           HA       LEU  15  -9.217   2.966   3.086
   99    HB2  LEU  15           2HB      LEU  15 -11.611   4.040   1.957
  100    HB3  LEU  15           1HB      LEU  15 -11.017   4.166   3.595
  101    HG   LEU  15           HG       LEU  15 -10.107   6.068   1.447
  102   HD11  LEU  15          1HD1      LEU  15 -11.798   7.629   2.281
  103   HD12  LEU  15          2HD1      LEU  15 -12.457   6.362   3.315
  104   HD13  LEU  15          3HD1      LEU  15 -12.534   6.199   1.559
  105   HD21  LEU  15          3HD2      LEU  15  -9.598   7.506   3.347
  106   HD22  LEU  15          1HD2      LEU  15  -8.756   5.962   3.491
  107   HD23  LEU  15          2HD2      LEU  15 -10.197   6.275   4.459
  108    H    CYS  16           H        CYS  16  -8.619   1.203   1.961
  109    HA   CYS  16           HA       CYS  16  -9.158   0.634  -0.716
  110    HB2  CYS  16           2HB      CYS  16  -7.415  -0.542   0.391
  111    HB3  CYS  16           1HB      CYS  16  -8.501  -1.107   1.650
  112    HG   CYS  16           HG       CYS  16  -8.594  -2.142  -1.612
  113    H    GLU  17           H        GLU  17 -10.464  -1.326   1.908
  114    HA   GLU  17           HA       GLU  17 -12.881  -1.798   0.390
  115    HB2  GLU  17           2HB      GLU  17 -11.807  -3.624   1.668
  116    HB3  GLU  17           1HB      GLU  17 -12.077  -2.739   3.155
  117    HG2  GLU  17           2HG      GLU  17 -13.689  -4.515   2.901
  118    HG3  GLU  17           1HG      GLU  17 -14.484  -2.946   2.856
  119    H    GLY  18           H        GLY  18 -15.001  -1.537   1.505
  120    HA2  GLY  18           2HA      GLY  18 -16.223   0.634   1.789
  121    HA3  GLY  18           1HA      GLY  18 -16.364  -0.428   3.173
  122    H    SER  19           H        SER  19 -14.714  -0.068   4.930
  123    HA   SER  19           HA       SER  19 -13.906   2.768   5.045
  124    HB2  SER  19           2HB      SER  19 -14.402   2.602   7.533
  125    HB3  SER  19           1HB      SER  19 -15.815   2.574   6.477
  126    HG   SER  19           HG       SER  19 -15.316   0.856   8.309
  127    H    ASN  20           H        ASN  20 -12.720  -0.218   4.795
  128    HA   ASN  20           HA       ASN  20 -10.775  -0.191   6.920
  129    HB2  ASN  20           2HB      ASN  20 -11.096  -1.949   4.494
  130    HB3  ASN  20           1HB      ASN  20  -9.758  -2.119   5.620
  131   HD21  ASN  20          1HD2      ASN  20 -13.004  -1.240   6.582
  132   HD22  ASN  20          2HD2      ASN  20 -13.363  -2.714   7.411
  133    H    VAL  21           H        VAL  21  -9.176   1.195   6.913
  134    HA   VAL  21           HA       VAL  21  -8.119   2.225   4.397
  135    HB   VAL  21           HB       VAL  21  -7.336   2.986   7.221
  136   HG11  VAL  21          1HG1      VAL  21  -6.840   4.324   4.563
  137   HG12  VAL  21          2HG1      VAL  21  -5.637   3.564   5.605
  138   HG13  VAL  21          3HG1      VAL  21  -6.464   5.028   6.136
  139   HG21  VAL  21          3HG2      VAL  21  -9.315   4.301   5.362
  140   HG22  VAL  21          1HG2      VAL  21  -8.774   4.950   6.910
  141   HG23  VAL  21          2HG2      VAL  21  -9.697   3.447   6.858
  142    H    CYS  22           H        CYS  22  -6.713   0.912   3.468
  143    HA   CYS  22           HA       CYS  22  -5.009  -0.896   4.844
  144    HB2  CYS  22           2HB      CYS  22  -5.756  -0.375   2.153
  145    HB3  CYS  22           1HB      CYS  22  -4.006  -0.265   2.229
  146    HG   CYS  22           HG       CYS  22  -5.837  -2.955   3.264
  147    H    GLY  23           H        GLY  23  -2.732  -0.760   5.177
  148    HA2  GLY  23           2HA      GLY  23  -1.649   1.961   4.936
  149    HA3  GLY  23           1HA      GLY  23  -1.543   1.104   6.461
  150    H    GLN  24           H        GLN  24   0.748   1.338   6.391
  151    HA   GLN  24           HA       GLN  24   2.146   0.175   4.129
  152    HB2  GLN  24           2HB      GLN  24   3.173   1.487   6.651
  153    HB3  GLN  24           1HB      GLN  24   4.206   0.875   5.368
  154    HG2  GLN  24           2HG      GLN  24   3.029   2.435   3.799
  155    HG3  GLN  24           1HG      GLN  24   2.228   3.134   5.205
  156   HE21  GLN  24          1HE2      GLN  24   3.183   5.146   4.894
  157   HE22  GLN  24          2HE2      GLN  24   4.865   5.434   5.195
  158    H    GLY  25           H        GLY  25   2.767  -1.818   4.012
  159    HA2  GLY  25           2HA      GLY  25   3.466  -3.923   5.035
  160    HA3  GLY  25           1HA      GLY  25   2.479  -3.492   6.434
  161    H    ASN  26           H        ASN  26   0.789  -2.339   4.012
  162    HA   ASN  26           HA       ASN  26  -0.616  -4.847   3.389
  163    HB2  ASN  26           2HB      ASN  26  -1.897  -2.113   3.588
  164    HB3  ASN  26           1HB      ASN  26  -2.713  -3.651   3.363
  165   HD21  ASN  26          1HD2      ASN  26  -0.858  -4.841   5.425
  166   HD22  ASN  26          2HD2      ASN  26  -1.540  -4.351   6.938
  167    H    LYS  27           H        LYS  27  -1.794  -4.738   1.312
  168    HA   LYS  27           HA       LYS  27  -1.054  -2.592  -0.492
  169    HB2  LYS  27           2HB      LYS  27   0.773  -4.202  -0.782
  170    HB3  LYS  27           1HB      LYS  27  -0.389  -5.485  -1.093
  171    HG2  LYS  27           2HG      LYS  27  -0.894  -4.714  -3.190
  172    HG3  LYS  27           1HG      LYS  27  -0.452  -3.051  -2.802
  173    HD2  LYS  27           2HD      LYS  27   1.205  -3.925  -4.291
  174    HD3  LYS  27           1HD      LYS  27   1.925  -3.780  -2.687
  175    HE2  LYS  27           2HE      LYS  27   2.606  -5.870  -3.641
  176    HE3  LYS  27           1HE      LYS  27   1.479  -6.196  -2.326
  177    HZ1  LYS  27           3HZ      LYS  27   1.227  -7.435  -4.553
  178    HZ2  LYS  27           1HZ      LYS  27   0.495  -6.011  -5.103
  179    HZ3  LYS  27           2HZ      LYS  27  -0.161  -6.858  -3.784
  180    H    CYS  28           H        CYS  28  -2.906  -2.004  -1.429
  181    HA   CYS  28           HA       CYS  28  -5.141  -3.862  -1.411
  182    HB2  CYS  28           2HB      CYS  28  -5.697  -1.668  -0.634
  183    HB3  CYS  28           1HB      CYS  28  -4.922  -0.911  -2.019
  184    HG   CYS  28           HG       CYS  28  -7.550  -0.479  -2.481
  185    H    ILE  29           H        ILE  29  -5.865  -4.893  -3.116
  186    HA   ILE  29           HA       ILE  29  -5.026  -3.986  -5.790
  187    HB   ILE  29           HB       ILE  29  -5.312  -6.491  -6.407
  188   HG12  ILE  29          2HG1      ILE  29  -4.701  -6.708  -3.456
  189   HG13  ILE  29          1HG1      ILE  29  -6.242  -7.128  -4.195
  190   HG21  ILE  29          1HG2      ILE  29  -3.198  -5.301  -6.535
  191   HG22  ILE  29          2HG2      ILE  29  -2.943  -6.919  -5.883
  192   HG23  ILE  29          3HG2      ILE  29  -2.945  -5.523  -4.806
  193   HD11  ILE  29          3HD1      ILE  29  -5.083  -8.852  -5.527
  194   HD12  ILE  29          1HD1      ILE  29  -4.975  -9.121  -3.787
  195   HD13  ILE  29          2HD1      ILE  29  -3.593  -8.466  -4.666
  196    H    LEU  30           H        LEU  30  -6.703  -3.205  -6.810
  197    HA   LEU  30           HA       LEU  30  -9.411  -3.911  -6.063
  198    HB2  LEU  30           2HB      LEU  30  -8.332  -2.096  -8.240
  199    HB3  LEU  30           1HB      LEU  30 -10.034  -2.312  -7.886
  200    HG   LEU  30           HG       LEU  30  -9.413  -1.494  -5.504
  201   HD11  LEU  30          1HD1      LEU  30  -7.010  -1.596  -5.718
  202   HD12  LEU  30          2HD1      LEU  30  -7.524   0.071  -5.463
  203   HD13  LEU  30          3HD1      LEU  30  -7.057  -0.472  -7.075
  204   HD21  LEU  30          3HD2      LEU  30  -9.730   0.826  -6.195
  205   HD22  LEU  30          1HD2      LEU  30 -10.805  -0.258  -7.077
  206   HD23  LEU  30          2HD2      LEU  30  -9.360   0.384  -7.862
  207    H    GLY  31           H        GLY  31  -9.292  -6.183  -6.641
  208    HA2  GLY  31           2HA      GLY  31  -8.833  -6.852  -9.446
  209    HA3  GLY  31           1HA      GLY  31  -9.022  -7.990  -8.124
  210    H    ARG  32           H        ARG  32 -10.905  -9.003  -7.917
  211    HA   ARG  32           HA       ARG  32 -13.374  -7.824  -8.798
  212    HB2  ARG  32           2HB      ARG  32 -13.925  -9.272 -10.562
  213    HB3  ARG  32           1HB      ARG  32 -12.281  -8.768 -10.897
  214    HG2  ARG  32           2HG      ARG  32 -13.060 -11.405  -9.662
  215    HG3  ARG  32           1HG      ARG  32 -12.690 -11.149 -11.364
  216    HD2  ARG  32           2HD      ARG  32 -10.641 -11.846 -10.696
  217    HD3  ARG  32           1HD      ARG  32 -10.462 -10.136 -10.299
  218    HE   ARG  32           HE       ARG  32 -11.545 -11.359  -8.058
  219   HH11  ARG  32          1HH1      ARG  32  -8.607 -11.659  -9.947
  220   HH12  ARG  32          2HH1      ARG  32  -7.634 -12.111  -8.586
  221   HH21  ARG  32          1HH2      ARG  32 -10.283 -12.014  -6.285
  222   HH22  ARG  32          2HH2      ARG  32  -8.597 -12.356  -6.495
  223    H    GLY  33           H        GLY  33 -15.226  -9.473  -8.496
  224    HA2  GLY  33           2HA      GLY  33 -16.166 -11.216  -7.247
  225    HA3  GLY  33           1HA      GLY  33 -14.596 -11.563  -6.565
  226    H    ASP  34           H        ASP  34 -15.313 -11.626  -4.442
  227    HA   ASP  34           HA       ASP  34 -16.205  -9.104  -3.270
  228    HB2  ASP  34           2HB      ASP  34 -15.473 -11.784  -2.057
  229    HB3  ASP  34           1HB      ASP  34 -15.877 -10.371  -1.087
  230    H    SER  35           H        SER  35 -13.575 -10.414  -4.521
  231    HA   SER  35           HA       SER  35 -11.589  -9.088  -2.848
  232    HB2  SER  35           2HB      SER  35 -11.497 -10.984  -5.181
  233    HB3  SER  35           1HB      SER  35 -10.058 -10.214  -4.554
  234    HG   SER  35           HG       SER  35 -10.348 -11.262  -2.606
  235    H    LYS  36           H        LYS  36 -13.637  -7.757  -4.502
  236    HA   LYS  36           HA       LYS  36 -12.664  -6.711  -6.898
  237    HB2  LYS  36           2HB      LYS  36 -14.301  -4.846  -6.427
  238    HB3  LYS  36           1HB      LYS  36 -14.976  -6.469  -6.333
  239    HG2  LYS  36           2HG      LYS  36 -14.911  -6.436  -3.946
  240    HG3  LYS  36           1HG      LYS  36 -14.019  -4.920  -3.945
  241    HD2  LYS  36           2HD      LYS  36 -16.193  -4.178  -5.344
  242    HD3  LYS  36           1HD      LYS  36 -16.900  -5.446  -4.342
  243    HE2  LYS  36           2HE      LYS  36 -15.519  -2.923  -3.456
  244    HE3  LYS  36           1HE      LYS  36 -17.177  -3.425  -3.143
  245    HZ1  LYS  36           3HZ      LYS  36 -14.734  -4.700  -2.034
  246    HZ2  LYS  36           1HZ      LYS  36 -16.320  -5.215  -1.735
  247    HZ3  LYS  36           2HZ      LYS  36 -15.792  -3.699  -1.183
  248    H    ASN  37           H        ASN  37 -11.986  -5.887  -3.620
  249    HA   ASN  37           HA       ASN  37  -9.776  -4.197  -4.390
  250    HB2  ASN  37           2HB      ASN  37 -10.524  -2.380  -2.857
  251    HB3  ASN  37           1HB      ASN  37 -11.585  -2.586  -4.245
  252   HD21  ASN  37          1HD2      ASN  37 -12.195  -1.364  -1.720
  253   HD22  ASN  37          2HD2      ASN  37 -13.484  -2.282  -1.033
  254    H    GLN  38           H        GLN  38  -8.563  -5.952  -3.485
  255    HA   GLN  38           HA       GLN  38  -9.337  -6.737  -0.781
  256    HB2  GLN  38           2HB      GLN  38  -8.933  -8.420  -2.640
  257    HB3  GLN  38           1HB      GLN  38  -7.222  -8.053  -2.469
  258    HG2  GLN  38           2HG      GLN  38  -7.514  -9.928  -1.149
  259    HG3  GLN  38           1HG      GLN  38  -7.567  -8.605   0.010
  260   HE21  GLN  38          1HE2      GLN  38  -9.537  -8.056   0.970
  261   HE22  GLN  38          2HE2      GLN  38 -10.890  -9.126   0.942
  262    H    CYS  39           H        CYS  39  -8.204  -6.368   0.955
  263    HA   CYS  39           HA       CYS  39  -5.716  -4.892   0.803
  264    HB2  CYS  39           2HB      CYS  39  -7.544  -5.673   3.056
  265    HB3  CYS  39           1HB      CYS  39  -5.950  -5.002   3.362
  266    HG   CYS  39           HG       CYS  39  -7.915  -3.235   1.277
  267    H    VAL  40           H        VAL  40  -4.272  -6.462  -0.010
  268    HA   VAL  40           HA       VAL  40  -3.956  -8.918   1.519
  269    HB   VAL  40           HB       VAL  40  -3.751  -8.674  -1.047
  270   HG11  VAL  40          1HG1      VAL  40  -0.986  -7.805  -0.245
  271   HG12  VAL  40          2HG1      VAL  40  -2.180  -6.850  -1.125
  272   HG13  VAL  40          3HG1      VAL  40  -1.475  -8.285  -1.870
  273   HG21  VAL  40          3HG2      VAL  40  -1.707 -10.210   0.545
  274   HG22  VAL  40          1HG2      VAL  40  -2.110 -10.513  -1.146
  275   HG23  VAL  40          2HG2      VAL  40  -3.328 -10.748   0.106
  276    H    THR  41           H        THR  41  -1.945  -9.492   2.528
  277    HA   THR  41           HA       THR  41  -0.639  -7.177   3.700
  278    HB   THR  41           HB       THR  41   0.531  -8.993   5.089
  279    HG1  THR  41           HG1      THR  41  -0.773 -10.982   5.123
  280   HG21  THR  41          3HG2      THR  41  -1.421  -9.226   6.562
  281   HG22  THR  41          1HG2      THR  41  -2.471  -8.675   5.256
  282   HG23  THR  41          2HG2      THR  41  -1.274  -7.580   5.947
  283    H    GLY  42           H        GLY  42   1.176  -6.403   2.959
  284    HA2  GLY  42           2HA      GLY  42   3.409  -7.882   2.118
  285    HA3  GLY  42           1HA      GLY  42   2.486  -7.406   0.699
  286    H    GLU  43           H        GLU  43   3.560  -5.760  -0.204
  287    HA   GLU  43           HA       GLU  43   3.953  -3.390   1.467
  288    HB2  GLU  43           2HB      GLU  43   6.060  -4.605  -0.330
  289    HB3  GLU  43           1HB      GLU  43   6.146  -2.967   0.305
  290    HG2  GLU  43           2HG      GLU  43   6.134  -3.832   2.575
  291    HG3  GLU  43           1HG      GLU  43   6.023  -5.478   1.958
  292    H    GLY  44           H        GLY  44   2.710  -1.924   0.620
  293    HA2  GLY  44           2HA      GLY  44   2.163  -2.004  -2.259
  294    HA3  GLY  44           1HA      GLY  44   1.190  -1.190  -1.047
  295    H    THR  45           H        THR  45   1.161   0.758  -2.050
  296    HA   THR  45           HA       THR  45   3.559   2.355  -1.657
  297    HB   THR  45           HB       THR  45   2.325   3.218  -4.098
  298    HG1  THR  45           HG1      THR  45   2.100   0.682  -3.974
  299   HG21  THR  45          3HG2      THR  45   4.581   3.810  -3.384
  300   HG22  THR  45          1HG2      THR  45   4.622   3.013  -4.956
  301   HG23  THR  45          2HG2      THR  45   5.077   2.123  -3.504
  302    HA   PRO  46           HA       PRO  46   0.556   5.258  -0.019
  303    HB2  PRO  46           2HB      PRO  46   2.618   7.148  -1.070
  304    HB3  PRO  46           1HB      PRO  46   1.823   7.117   0.509
  305    HG2  PRO  46           2HG      PRO  46   4.326   6.253   0.247
  306    HG3  PRO  46           1HG      PRO  46   3.181   5.412   1.308
  307    HD2  PRO  46           2HD      PRO  46   4.193   4.632  -1.386
  308    HD3  PRO  46           1HD      PRO  46   3.762   3.610   0.000
  309    H    LYS  47           H        LYS  47  -1.118   6.255  -0.997
  310    HA   LYS  47           HA       LYS  47  -1.198   6.245  -3.878
  311    HB2  LYS  47           2HB      LYS  47  -3.021   5.354  -2.426
  312    HB3  LYS  47           1HB      LYS  47  -3.284   6.984  -1.816
  313    HG2  LYS  47           2HG      LYS  47  -3.557   7.566  -4.325
  314    HG3  LYS  47           1HG      LYS  47  -3.862   5.845  -4.486
  315    HD2  LYS  47           2HD      LYS  47  -5.742   5.926  -3.087
  316    HD3  LYS  47           1HD      LYS  47  -5.302   7.519  -2.461
  317    HE2  LYS  47           2HE      LYS  47  -5.883   7.071  -5.349
  318    HE3  LYS  47           1HE      LYS  47  -7.188   7.374  -4.204
  319    HZ1  LYS  47           3HZ      LYS  47  -6.160   9.479  -3.641
  320    HZ2  LYS  47           1HZ      LYS  47  -6.445   9.399  -5.309
  321    HZ3  LYS  47           2HZ      LYS  47  -4.878   9.177  -4.709
  322    HA   PRO  48           HA       PRO  48   0.167  10.512  -4.122
  323    HB2  PRO  48           2HB      PRO  48  -1.418  10.317  -6.647
  324    HB3  PRO  48           1HB      PRO  48   0.212  10.952  -6.383
  325    HG2  PRO  48           2HG      PRO  48  -0.139   8.547  -7.466
  326    HG3  PRO  48           1HG      PRO  48   1.165   8.838  -6.300
  327    HD2  PRO  48           2HD      PRO  48  -1.426   7.411  -5.928
  328    HD3  PRO  48           1HD      PRO  48   0.156   7.094  -5.189
  329    H    GLN  49           H        GLN  49  -0.656  12.368  -3.567
  330    HA   GLN  49           HA       GLN  49  -3.576  12.618  -3.401
  331    HB2  GLN  49           2HB      GLN  49  -3.061  13.595  -1.033
  332    HB3  GLN  49           1HB      GLN  49  -3.189  11.859  -1.265
  333    HG2  GLN  49           2HG      GLN  49  -0.747  11.725  -1.449
  334    HG3  GLN  49           1HG      GLN  49  -0.646  13.446  -1.102
  335   HE21  GLN  49          1HE2      GLN  49  -2.961  11.300   0.386
  336   HE22  GLN  49          2HE2      GLN  49  -2.284  11.352   1.971
  337    H    SER  50           H        SER  50  -0.408  14.176  -3.294
  338    HA   SER  50           HA       SER  50  -1.663  16.788  -3.584
  339    HB2  SER  50           2HB      SER  50   1.251  15.969  -3.570
  340    HB3  SER  50           1HB      SER  50   0.674  17.636  -3.644
  341    HG   SER  50           HG       SER  50   1.043  16.126  -1.497
  342    H    HIS  51           H        HIS  51   0.773  14.998  -5.519
  343    HA   HIS  51           HA       HIS  51   0.150  16.657  -7.813
  344    HB2  HIS  51           2HB      HIS  51   1.999  14.288  -7.575
  345    HB3  HIS  51           1HB      HIS  51   1.906  15.383  -8.951
  346    HD1  HIS  51           HD1      HIS  51   3.599  14.935  -5.759
  347    HD2  HIS  51           HD2      HIS  51   2.663  18.114  -8.261
  348    HE1  HIS  51           HE1      HIS  51   5.060  16.838  -5.012
  349    HE2  HIS  51           HE2      HIS  51   4.204  18.818  -6.319
  Start of MODEL    6
    1    H1   VAL   1           1H       VAL   1  -5.435  12.532   9.343
    2    H2   VAL   1           2H       VAL   1  -5.010  14.086   8.823
    3    H3   VAL   1           3H       VAL   1  -3.857  13.103   9.585
    4    HA   VAL   1           HA       VAL   1  -3.553  13.233   7.174
    5    HB   VAL   1           HB       VAL   1  -3.480  10.760   6.751
    6   HG11  VAL   1          1HG1      VAL   1  -2.368  11.716   9.388
    7   HG12  VAL   1          2HG1      VAL   1  -1.609  11.892   7.805
    8   HG13  VAL   1          3HG1      VAL   1  -1.824  10.288   8.507
    9   HG21  VAL   1          3HG2      VAL   1  -4.020   9.252   8.621
   10   HG22  VAL   1          1HG2      VAL   1  -5.449  10.081   8.003
   11   HG23  VAL   1          2HG2      VAL   1  -4.701  10.616   9.508
   12    H    VAL   2           H        VAL   2  -4.413  13.193   5.167
   13    HA   VAL   2           HA       VAL   2  -7.308  12.632   5.009
   14    HB   VAL   2           HB       VAL   2  -5.715  14.543   3.290
   15   HG11  VAL   2          1HG1      VAL   2  -7.917  15.308   2.515
   16   HG12  VAL   2          2HG1      VAL   2  -8.683  14.038   3.471
   17   HG13  VAL   2          3HG1      VAL   2  -7.628  13.614   2.122
   18   HG21  VAL   2          3HG2      VAL   2  -6.856  16.331   4.489
   19   HG22  VAL   2          1HG2      VAL   2  -5.888  15.350   5.590
   20   HG23  VAL   2          2HG2      VAL   2  -7.639  15.144   5.531
   21    H    TYR   3           H        TYR   3  -7.627  10.739   4.041
   22    HA   TYR   3           HA       TYR   3  -5.921  10.047   1.744
   23    HB2  TYR   3           2HB      TYR   3  -7.329   8.217   3.697
   24    HB3  TYR   3           1HB      TYR   3  -6.530   7.669   2.230
   25    HD1  TYR   3           HD2      TYR   3  -4.021   9.095   2.175
   26    HD2  TYR   3           HD1      TYR   3  -6.124   7.506   5.511
   27    HE1  TYR   3           HE2      TYR   3  -1.902   8.892   3.410
   28    HE2  TYR   3           HE1      TYR   3  -4.016   7.296   6.751
   29    HH   TYR   3           HH       TYR   3  -1.133   8.763   5.778
   30    H    THR   4           H        THR   4  -7.023   8.533   0.209
   31    HA   THR   4           HA       THR   4  -9.858   9.188  -0.141
   32    HB   THR   4           HB       THR   4  -9.220   9.011  -2.680
   33    HG1  THR   4           HG1      THR   4  -6.805  10.184  -1.879
   34   HG21  THR   4          3HG2      THR   4  -8.850  11.430  -2.773
   35   HG22  THR   4          1HG2      THR   4  -8.500  11.448  -1.044
   36   HG23  THR   4          2HG2      THR   4 -10.115  11.028  -1.613
   37    H    ASP   5           H        ASP   5 -10.455   7.563  -2.263
   38    HA   ASP   5           HA       ASP   5 -10.064   4.933  -1.058
   39    HB2  ASP   5           2HB      ASP   5 -11.707   5.636  -3.510
   40    HB3  ASP   5           1HB      ASP   5 -11.829   4.179  -2.530
   41    H    CYS   6           H        CYS   6  -9.228   3.121  -2.300
   42    HA   CYS   6           HA       CYS   6  -6.845   3.771  -3.619
   43    HB2  CYS   6           2HB      CYS   6  -8.348   1.171  -3.846
   44    HB3  CYS   6           1HB      CYS   6  -6.651   1.445  -4.231
   45    HG   CYS   6           HG       CYS   6  -5.754   1.566  -1.703
   46    H    THR   7           H        THR   7  -6.197   3.819  -5.708
   47    HA   THR   7           HA       THR   7  -8.308   3.693  -7.740
   48    HB   THR   7           HB       THR   7  -6.335   4.947  -8.960
   49    HG1  THR   7           HG1      THR   7  -4.981   5.971  -7.670
   50   HG21  THR   7          3HG2      THR   7  -7.405   7.084  -8.367
   51   HG22  THR   7          1HG2      THR   7  -8.251   6.269  -7.051
   52   HG23  THR   7          2HG2      THR   7  -8.593   5.829  -8.726
   53    H    GLU   8           H        GLU   8  -5.345   2.327  -6.664
   54    HA   GLU   8           HA       GLU   8  -5.026   0.859  -9.179
   55    HB2  GLU   8           2HB      GLU   8  -2.993   2.536  -7.745
   56    HB3  GLU   8           1HB      GLU   8  -2.498   1.242  -8.813
   57    HG2  GLU   8           2HG      GLU   8  -3.639   2.313 -10.672
   58    HG3  GLU   8           1HG      GLU   8  -4.227   3.579  -9.595
   59    H    SER   9           H        SER   9  -3.846  -1.083  -9.004
   60    HA   SER   9           HA       SER   9  -4.134  -2.339  -6.400
   61    HB2  SER   9           2HB      SER   9  -3.315  -3.526  -9.071
   62    HB3  SER   9           1HB      SER   9  -3.731  -4.429  -7.613
   63    HG   SER   9           HG       SER   9  -5.366  -3.227  -9.474
   64    H    GLY  10           H        GLY  10  -2.448  -2.584  -5.049
   65    HA2  GLY  10           2HA      GLY  10  -0.073  -3.102  -4.737
   66    HA3  GLY  10           1HA      GLY  10   0.263  -2.092  -6.138
   67    H    GLN  11           H        GLN  11  -2.044  -0.412  -4.854
   68    HA   GLN  11           HA       GLN  11  -0.257   1.352  -3.362
   69    HB2  GLN  11           2HB      GLN  11  -2.763   1.635  -4.839
   70    HB3  GLN  11           1HB      GLN  11  -2.843   2.433  -3.265
   71    HG2  GLN  11           2HG      GLN  11  -1.784   4.136  -4.154
   72    HG3  GLN  11           1HG      GLN  11  -0.363   3.128  -4.350
   73   HE21  GLN  11          1HE2      GLN  11  -3.144   4.528  -5.888
   74   HE22  GLN  11          2HE2      GLN  11  -2.608   4.273  -7.518
   75    H    ASN  12           H        ASN  12  -1.105   2.265  -1.226
   76    HA   ASN  12           HA       ASN  12  -2.791   0.308   0.145
   77    HB2  ASN  12           2HB      ASN  12  -1.280   0.604   2.182
   78    HB3  ASN  12           1HB      ASN  12  -0.771  -0.480   0.902
   79   HD21  ASN  12          1HD2      ASN  12   1.341  -0.318   1.672
   80   HD22  ASN  12          2HD2      ASN  12   2.327   1.065   1.335
   81    H    LEU  13           H        LEU  13  -1.152   3.382   0.782
   82    HA   LEU  13           HA       LEU  13  -2.733   4.272   2.886
   83    HB2  LEU  13           2HB      LEU  13  -1.184   5.847   0.835
   84    HB3  LEU  13           1HB      LEU  13  -1.877   6.546   2.285
   85    HG   LEU  13           HG       LEU  13   0.178   4.332   2.327
   86   HD11  LEU  13          1HD1      LEU  13   1.138   6.319   1.299
   87   HD12  LEU  13          2HD1      LEU  13   1.789   6.081   2.921
   88   HD13  LEU  13          3HD1      LEU  13   0.555   7.309   2.636
   89   HD21  LEU  13          3HD2      LEU  13  -1.308   4.595   4.312
   90   HD22  LEU  13          1HD2      LEU  13  -0.703   6.238   4.491
   91   HD23  LEU  13          2HD2      LEU  13   0.399   4.869   4.653
   92    H    CYS  14           H        CYS  14  -4.753   3.438   1.689
   93    HA   CYS  14           HA       CYS  14  -6.353   5.758   1.052
   94    HB2  CYS  14           2HB      CYS  14  -7.256   4.207  -0.958
   95    HB3  CYS  14           1HB      CYS  14  -6.023   5.443  -1.173
   96    HG   CYS  14           HG       CYS  14  -4.660   2.572  -0.267
   97    H    LEU  15           H        LEU  15  -8.716   5.146   0.937
   98    HA   LEU  15           HA       LEU  15  -9.325   3.084   2.880
   99    HB2  LEU  15           2HB      LEU  15 -11.573   4.247   1.362
  100    HB3  LEU  15           1HB      LEU  15 -11.376   4.024   3.082
  101    HG   LEU  15           HG       LEU  15 -10.073   6.264   1.533
  102   HD11  LEU  15          1HD1      LEU  15 -11.783   7.696   2.510
  103   HD12  LEU  15          2HD1      LEU  15 -12.559   6.289   3.239
  104   HD13  LEU  15          3HD1      LEU  15 -12.508   6.459   1.484
  105   HD21  LEU  15          3HD2      LEU  15 -10.435   5.820   4.494
  106   HD22  LEU  15          1HD2      LEU  15  -9.685   7.224   3.736
  107   HD23  LEU  15          2HD2      LEU  15  -8.922   5.640   3.605
  108    H    CYS  16           H        CYS  16  -8.878   1.166   2.047
  109    HA   CYS  16           HA       CYS  16  -9.239   0.496  -0.688
  110    HB2  CYS  16           2HB      CYS  16  -7.414  -0.348   0.749
  111    HB3  CYS  16           1HB      CYS  16  -8.597  -1.253   1.681
  112    HG   CYS  16           HG       CYS  16  -6.859  -2.437  -0.603
  113    H    GLU  17           H        GLU  17 -10.399  -1.349   2.092
  114    HA   GLU  17           HA       GLU  17 -12.802  -2.112   0.609
  115    HB2  GLU  17           2HB      GLU  17 -11.263  -3.644   2.117
  116    HB3  GLU  17           1HB      GLU  17 -12.201  -2.929   3.423
  117    HG2  GLU  17           2HG      GLU  17 -14.263  -3.734   2.331
  118    HG3  GLU  17           1HG      GLU  17 -13.265  -4.555   1.129
  119    H    GLY  18           H        GLY  18 -14.896  -1.633   1.420
  120    HA2  GLY  18           2HA      GLY  18 -16.396  -0.020   2.243
  121    HA3  GLY  18           1HA      GLY  18 -15.924  -0.865   3.705
  122    H    SER  19           H        SER  19 -14.633   0.139   5.203
  123    HA   SER  19           HA       SER  19 -13.642   2.834   4.563
  124    HB2  SER  19           2HB      SER  19 -14.150   3.127   7.177
  125    HB3  SER  19           1HB      SER  19 -15.349   3.510   5.942
  126    HG   SER  19           HG       SER  19 -15.148   0.948   7.155
  127    H    ASN  20           H        ASN  20 -12.298   0.273   4.531
  128    HA   ASN  20           HA       ASN  20 -10.571   0.194   6.854
  129    HB2  ASN  20           2HB      ASN  20 -10.486  -1.290   4.215
  130    HB3  ASN  20           1HB      ASN  20  -9.294  -1.508   5.489
  131   HD21  ASN  20          1HD2      ASN  20 -12.725  -1.021   6.018
  132   HD22  ASN  20          2HD2      ASN  20 -13.037  -2.599   6.643
  133    H    VAL  21           H        VAL  21  -9.068   1.686   7.100
  134    HA   VAL  21           HA       VAL  21  -7.967   3.068   4.783
  135    HB   VAL  21           HB       VAL  21  -7.253   3.453   7.698
  136   HG11  VAL  21          1HG1      VAL  21  -6.505   5.665   6.979
  137   HG12  VAL  21          2HG1      VAL  21  -6.950   5.283   5.317
  138   HG13  VAL  21          3HG1      VAL  21  -5.651   4.392   6.109
  139   HG21  VAL  21          3HG2      VAL  21  -9.645   3.770   7.442
  140   HG22  VAL  21          1HG2      VAL  21  -9.376   4.863   6.085
  141   HG23  VAL  21          2HG2      VAL  21  -8.850   5.323   7.703
  142    H    CYS  22           H        CYS  22  -6.692   1.511   3.790
  143    HA   CYS  22           HA       CYS  22  -4.864  -0.128   5.224
  144    HB2  CYS  22           2HB      CYS  22  -5.791   0.040   2.538
  145    HB3  CYS  22           1HB      CYS  22  -4.042   0.184   2.498
  146    HG   CYS  22           HG       CYS  22  -5.860  -2.415   3.742
  147    H    GLY  23           H        GLY  23  -2.634   0.006   5.347
  148    HA2  GLY  23           2HA      GLY  23  -1.438   2.591   4.654
  149    HA3  GLY  23           1HA      GLY  23  -1.305   1.990   6.303
  150    H    GLN  24           H        GLN  24   0.984   1.855   6.177
  151    HA   GLN  24           HA       GLN  24   2.069   0.207   4.047
  152    HB2  GLN  24           2HB      GLN  24   3.238   2.294   4.753
  153    HB3  GLN  24           1HB      GLN  24   3.554   1.545   6.316
  154    HG2  GLN  24           2HG      GLN  24   5.478   1.428   4.773
  155    HG3  GLN  24           1HG      GLN  24   4.906  -0.161   5.285
  156   HE21  GLN  24          1HE2      GLN  24   5.256   2.057   2.654
  157   HE22  GLN  24          2HE2      GLN  24   4.838   0.937   1.396
  158    H    GLY  25           H        GLY  25   3.031  -1.760   4.329
  159    HA2  GLY  25           2HA      GLY  25   3.461  -3.737   5.612
  160    HA3  GLY  25           1HA      GLY  25   2.385  -3.116   6.867
  161    H    ASN  26           H        ASN  26   0.767  -2.212   4.363
  162    HA   ASN  26           HA       ASN  26  -0.438  -4.811   3.713
  163    HB2  ASN  26           2HB      ASN  26  -1.818  -2.199   4.343
  164    HB3  ASN  26           1HB      ASN  26  -2.625  -3.528   3.521
  165   HD21  ASN  26          1HD2      ASN  26  -1.258  -2.415   6.518
  166   HD22  ASN  26          2HD2      ASN  26  -1.958  -3.643   7.521
  167    H    LYS  27           H        LYS  27  -1.507  -4.867   1.633
  168    HA   LYS  27           HA       LYS  27  -0.776  -2.723  -0.221
  169    HB2  LYS  27           2HB      LYS  27   0.995  -4.403  -0.395
  170    HB3  LYS  27           1HB      LYS  27  -0.201  -5.662  -0.658
  171    HG2  LYS  27           2HG      LYS  27  -0.468  -5.138  -2.824
  172    HG3  LYS  27           1HG      LYS  27  -0.316  -3.404  -2.536
  173    HD2  LYS  27           2HD      LYS  27   1.557  -4.149  -3.859
  174    HD3  LYS  27           1HD      LYS  27   2.124  -3.704  -2.248
  175    HE2  LYS  27           2HE      LYS  27   3.243  -5.699  -2.730
  176    HE3  LYS  27           1HE      LYS  27   1.913  -6.190  -1.682
  177    HZ1  LYS  27           3HZ      LYS  27   1.915  -6.366  -4.649
  178    HZ2  LYS  27           1HZ      LYS  27   0.675  -6.900  -3.622
  179    HZ3  LYS  27           2HZ      LYS  27   2.189  -7.665  -3.598
  180    H    CYS  28           H        CYS  28  -2.558  -2.141  -1.314
  181    HA   CYS  28           HA       CYS  28  -4.900  -3.849  -1.179
  182    HB2  CYS  28           2HB      CYS  28  -4.536  -1.029  -2.196
  183    HB3  CYS  28           1HB      CYS  28  -6.075  -1.871  -2.075
  184    HG   CYS  28           HG       CYS  28  -4.415  -1.856   0.805
  185    H    ILE  29           H        ILE  29  -5.962  -4.689  -2.913
  186    HA   ILE  29           HA       ILE  29  -4.877  -4.139  -5.576
  187    HB   ILE  29           HB       ILE  29  -5.354  -6.623  -6.077
  188   HG12  ILE  29          2HG1      ILE  29  -4.910  -6.752  -3.092
  189   HG13  ILE  29          1HG1      ILE  29  -6.445  -7.070  -3.897
  190   HG21  ILE  29          1HG2      ILE  29  -3.072  -7.244  -5.451
  191   HG22  ILE  29          2HG2      ILE  29  -2.977  -5.831  -4.401
  192   HG23  ILE  29          3HG2      ILE  29  -3.136  -5.626  -6.144
  193   HD11  ILE  29          3HD1      ILE  29  -3.911  -8.654  -4.266
  194   HD12  ILE  29          1HD1      ILE  29  -5.467  -8.988  -5.027
  195   HD13  ILE  29          2HD1      ILE  29  -5.291  -9.129  -3.279
  196    H    LEU  30           H        LEU  30  -6.356  -3.727  -7.019
  197    HA   LEU  30           HA       LEU  30  -9.165  -4.080  -6.370
  198    HB2  LEU  30           2HB      LEU  30  -7.764  -2.649  -8.633
  199    HB3  LEU  30           1HB      LEU  30  -9.506  -2.793  -8.513
  200    HG   LEU  30           HG       LEU  30  -9.298  -1.623  -6.256
  201   HD11  LEU  30          1HD1      LEU  30  -6.908  -1.925  -5.937
  202   HD12  LEU  30          2HD1      LEU  30  -7.359  -0.219  -5.913
  203   HD13  LEU  30          3HD1      LEU  30  -6.592  -0.910  -7.344
  204   HD21  LEU  30          3HD2      LEU  30 -10.192  -0.554  -8.256
  205   HD22  LEU  30          1HD2      LEU  30  -8.558  -0.111  -8.753
  206   HD23  LEU  30          2HD2      LEU  30  -9.254   0.583  -7.288
  207    H    GLY  31           H        GLY  31 -10.197  -5.861  -7.005
  208    HA2  GLY  31           2HA      GLY  31  -9.147  -7.268  -9.375
  209    HA3  GLY  31           1HA      GLY  31  -9.700  -8.115  -7.939
  210    H    ARG  32           H        ARG  32 -11.673  -8.877  -7.986
  211    HA   ARG  32           HA       ARG  32 -13.696  -7.629  -9.683
  212    HB2  ARG  32           2HB      ARG  32 -14.201 -10.176 -10.337
  213    HB3  ARG  32           1HB      ARG  32 -13.155  -9.141 -11.298
  214    HG2  ARG  32           2HG      ARG  32 -11.271 -10.251 -10.699
  215    HG3  ARG  32           1HG      ARG  32 -11.894 -10.678  -9.105
  216    HD2  ARG  32           2HD      ARG  32 -13.009 -11.890 -11.615
  217    HD3  ARG  32           1HD      ARG  32 -11.590 -12.563 -10.811
  218    HE   ARG  32           HE       ARG  32 -13.043 -12.779  -8.799
  219   HH11  ARG  32          1HH1      ARG  32 -14.470 -12.657 -11.994
  220   HH12  ARG  32          2HH1      ARG  32 -15.894 -13.544 -11.530
  221   HH21  ARG  32          1HH2      ARG  32 -14.901 -13.936  -8.179
  222   HH22  ARG  32          2HH2      ARG  32 -16.147 -14.262  -9.358
  223    H    GLY  33           H        GLY  33 -15.866  -8.457  -9.312
  224    HA2  GLY  33           2HA      GLY  33 -17.588  -9.252  -8.006
  225    HA3  GLY  33           1HA      GLY  33 -16.417 -10.243  -7.147
  226    H    ASP  34           H        ASP  34 -16.493  -9.844  -5.055
  227    HA   ASP  34           HA       ASP  34 -17.080  -7.135  -4.120
  228    HB2  ASP  34           2HB      ASP  34 -16.821  -9.760  -2.635
  229    HB3  ASP  34           1HB      ASP  34 -17.116  -8.214  -1.848
  230    H    SER  35           H        SER  35 -14.492  -9.069  -4.910
  231    HA   SER  35           HA       SER  35 -12.625  -7.853  -3.038
  232    HB2  SER  35           2HB      SER  35 -12.375 -10.246  -3.600
  233    HB3  SER  35           1HB      SER  35 -12.164  -9.826  -5.298
  234    HG   SER  35           HG       SER  35 -10.344  -8.458  -4.387
  235    H    LYS  36           H        LYS  36 -14.092  -6.232  -4.950
  236    HA   LYS  36           HA       LYS  36 -12.486  -5.479  -7.134
  237    HB2  LYS  36           2HB      LYS  36 -13.886  -3.347  -7.053
  238    HB3  LYS  36           1HB      LYS  36 -14.744  -4.860  -7.283
  239    HG2  LYS  36           2HG      LYS  36 -16.063  -3.699  -5.776
  240    HG3  LYS  36           1HG      LYS  36 -15.151  -4.788  -4.742
  241    HD2  LYS  36           2HD      LYS  36 -13.584  -2.940  -4.241
  242    HD3  LYS  36           1HD      LYS  36 -14.584  -1.870  -5.223
  243    HE2  LYS  36           2HE      LYS  36 -16.510  -2.451  -3.721
  244    HE3  LYS  36           1HE      LYS  36 -15.361  -3.286  -2.682
  245    HZ1  LYS  36           3HZ      LYS  36 -15.500  -0.387  -3.286
  246    HZ2  LYS  36           1HZ      LYS  36 -14.146  -1.097  -2.557
  247    HZ3  LYS  36           2HZ      LYS  36 -15.647  -1.153  -1.782
  248    H    ASN  37           H        ASN  37 -12.281  -4.809  -3.808
  249    HA   ASN  37           HA       ASN  37  -9.792  -3.419  -4.197
  250    HB2  ASN  37           2HB      ASN  37 -11.993  -1.813  -3.934
  251    HB3  ASN  37           1HB      ASN  37 -11.519  -2.014  -2.252
  252   HD21  ASN  37          1HD2      ASN  37  -8.672  -2.252  -2.892
  253   HD22  ASN  37          2HD2      ASN  37  -8.151  -0.657  -3.291
  254    H    GLN  38           H        GLN  38  -8.711  -5.033  -3.104
  255    HA   GLN  38           HA       GLN  38  -9.758  -5.730  -0.428
  256    HB2  GLN  38           2HB      GLN  38  -9.904  -7.485  -2.295
  257    HB3  GLN  38           1HB      GLN  38  -8.156  -7.595  -2.173
  258    HG2  GLN  38           2HG      GLN  38  -8.996  -9.350  -0.878
  259    HG3  GLN  38           1HG      GLN  38  -8.485  -8.120   0.274
  260   HE21  GLN  38          1HE2      GLN  38 -10.883  -6.456  -0.288
  261   HE22  GLN  38          2HE2      GLN  38 -12.173  -7.243   0.544
  262    H    CYS  39           H        CYS  39  -8.255  -6.113   1.239
  263    HA   CYS  39           HA       CYS  39  -5.657  -4.854   0.809
  264    HB2  CYS  39           2HB      CYS  39  -7.266  -5.385   3.296
  265    HB3  CYS  39           1HB      CYS  39  -5.625  -4.768   3.330
  266    HG   CYS  39           HG       CYS  39  -7.695  -2.986   1.401
  267    H    VAL  40           H        VAL  40  -4.047  -6.254   0.404
  268    HA   VAL  40           HA       VAL  40  -3.993  -8.788   1.884
  269    HB   VAL  40           HB       VAL  40  -3.695  -8.508  -0.703
  270   HG11  VAL  40          1HG1      VAL  40  -0.887  -7.987   0.251
  271   HG12  VAL  40          2HG1      VAL  40  -1.911  -6.885  -0.670
  272   HG13  VAL  40          3HG1      VAL  40  -1.347  -8.386  -1.405
  273   HG21  VAL  40          3HG2      VAL  40  -1.909 -10.298   0.935
  274   HG22  VAL  40          1HG2      VAL  40  -2.311 -10.531  -0.767
  275   HG23  VAL  40          2HG2      VAL  40  -3.576 -10.628   0.459
  276    H    THR  41           H        THR  41  -1.923  -9.411   2.875
  277    HA   THR  41           HA       THR  41  -0.713  -7.078   4.125
  278    HB   THR  41           HB       THR  41   0.393  -8.784   5.635
  279    HG1  THR  41           HG1      THR  41  -1.470 -10.559   4.391
  280   HG21  THR  41          3HG2      THR  41  -2.623  -8.747   5.516
  281   HG22  THR  41          1HG2      THR  41  -1.595  -7.564   6.328
  282   HG23  THR  41          2HG2      THR  41  -1.659  -9.228   6.912
  283    H    GLY  42           H        GLY  42   1.181  -6.297   3.585
  284    HA2  GLY  42           2HA      GLY  42   3.484  -7.711   2.931
  285    HA3  GLY  42           1HA      GLY  42   2.683  -7.314   1.415
  286    H    GLU  43           H        GLU  43   3.519  -5.542   0.507
  287    HA   GLU  43           HA       GLU  43   3.586  -3.120   2.091
  288    HB2  GLU  43           2HB      GLU  43   5.877  -2.516   1.371
  289    HB3  GLU  43           1HB      GLU  43   5.829  -3.889   2.465
  290    HG2  GLU  43           2HG      GLU  43   5.977  -5.364   0.432
  291    HG3  GLU  43           1HG      GLU  43   6.322  -3.902  -0.493
  292    H    GLY  44           H        GLY  44   2.739  -1.519   0.953
  293    HA2  GLY  44           2HA      GLY  44   2.412  -1.973  -1.930
  294    HA3  GLY  44           1HA      GLY  44   1.285  -1.091  -0.917
  295    H    THR  45           H        THR  45   1.316   0.685  -2.252
  296    HA   THR  45           HA       THR  45   3.739   2.330  -2.085
  297    HB   THR  45           HB       THR  45   2.506   3.114  -4.442
  298    HG1  THR  45           HG1      THR  45   2.190   0.371  -4.052
  299   HG21  THR  45          3HG2      THR  45   4.504   2.186  -5.544
  300   HG22  THR  45          1HG2      THR  45   4.876   1.273  -4.082
  301   HG23  THR  45          2HG2      THR  45   4.915   3.036  -4.055
  302    HA   PRO  46           HA       PRO  46   0.919   5.451  -0.614
  303    HB2  PRO  46           2HB      PRO  46   2.690   7.350  -2.046
  304    HB3  PRO  46           1HB      PRO  46   2.221   7.323  -0.344
  305    HG2  PRO  46           2HG      PRO  46   4.679   6.603  -1.117
  306    HG3  PRO  46           1HG      PRO  46   3.852   5.779   0.218
  307    HD2  PRO  46           2HD      PRO  46   4.263   4.882  -2.603
  308    HD3  PRO  46           1HD      PRO  46   4.296   3.937  -1.100
  309    H    LYS  47           H        LYS  47  -0.883   6.339  -1.478
  310    HA   LYS  47           HA       LYS  47  -1.269   5.961  -4.305
  311    HB2  LYS  47           2HB      LYS  47  -2.883   5.142  -2.586
  312    HB3  LYS  47           1HB      LYS  47  -3.210   6.817  -2.151
  313    HG2  LYS  47           2HG      LYS  47  -3.714   7.050  -4.693
  314    HG3  LYS  47           1HG      LYS  47  -3.944   5.313  -4.587
  315    HD2  LYS  47           2HD      LYS  47  -5.718   5.516  -3.081
  316    HD3  LYS  47           1HD      LYS  47  -5.297   7.185  -2.680
  317    HE2  LYS  47           2HE      LYS  47  -5.926   6.566  -5.493
  318    HE3  LYS  47           1HE      LYS  47  -7.272   6.559  -4.356
  319    HZ1  LYS  47           3HZ      LYS  47  -6.971   8.722  -5.405
  320    HZ2  LYS  47           1HZ      LYS  47  -5.391   8.822  -4.793
  321    HZ3  LYS  47           2HZ      LYS  47  -6.713   8.817  -3.732
  322    HA   PRO  48           HA       PRO  48  -0.953  10.307  -5.500
  323    HB2  PRO  48           2HB      PRO  48  -3.207   9.366  -7.230
  324    HB3  PRO  48           1HB      PRO  48  -1.795  10.339  -7.660
  325    HG2  PRO  48           2HG      PRO  48  -1.886   7.758  -8.289
  326    HG3  PRO  48           1HG      PRO  48  -0.377   8.495  -7.716
  327    HD2  PRO  48           2HD      PRO  48  -2.270   6.692  -6.292
  328    HD3  PRO  48           1HD      PRO  48  -0.507   6.828  -6.139
  329    H    GLN  49           H        GLN  49  -2.103  12.109  -5.000
  330    HA   GLN  49           HA       GLN  49  -4.562  11.649  -3.451
  331    HB2  GLN  49           2HB      GLN  49  -3.368  13.258  -1.763
  332    HB3  GLN  49           1HB      GLN  49  -3.031  11.536  -1.762
  333    HG2  GLN  49           2HG      GLN  49  -1.071  11.996  -3.236
  334    HG3  GLN  49           1HG      GLN  49  -1.349  13.711  -2.953
  335   HE21  GLN  49          1HE2      GLN  49  -0.402  10.686  -1.547
  336   HE22  GLN  49          2HE2      GLN  49   0.314  11.340  -0.111
  337    H    SER  50           H        SER  50  -2.709  13.635  -5.505
  338    HA   SER  50           HA       SER  50  -4.254  16.017  -4.902
  339    HB2  SER  50           2HB      SER  50  -1.787  16.028  -5.547
  340    HB3  SER  50           1HB      SER  50  -2.311  15.646  -7.187
  341    HG   SER  50           HG       SER  50  -2.547  17.722  -7.389
  342    H    HIS  51           H        HIS  51  -5.604  17.072  -6.498
  343    HA   HIS  51           HA       HIS  51  -7.392  15.075  -7.512
  344    HB2  HIS  51           2HB      HIS  51  -7.576  18.078  -7.708
  345    HB3  HIS  51           1HB      HIS  51  -8.877  16.946  -8.050
  346    HD1  HIS  51           HD1      HIS  51  -8.453  19.246  -5.668
  347    HD2  HIS  51           HD2      HIS  51  -8.724  15.108  -5.365
  348    HE1  HIS  51           HE1      HIS  51  -9.164  18.781  -3.303
  349    HE2  HIS  51           HE2      HIS  51  -9.595  16.302  -3.241
  Start of MODEL    7
    1    H1   VAL   1           1H       VAL   1  -6.815  13.990   9.330
    2    H2   VAL   1           2H       VAL   1  -5.167  14.108   9.719
    3    H3   VAL   1           3H       VAL   1  -5.935  12.595   9.727
    4    HA   VAL   1           HA       VAL   1  -5.348  14.294   7.388
    5    HB   VAL   1           HB       VAL   1  -4.487  11.501   8.080
    6   HG11  VAL   1          1HG1      VAL   1  -3.053  11.662   6.106
    7   HG12  VAL   1          2HG1      VAL   1  -3.754  13.238   5.738
    8   HG13  VAL   1          3HG1      VAL   1  -4.763  11.790   5.687
    9   HG21  VAL   1          3HG2      VAL   1  -2.902  14.059   8.021
   10   HG22  VAL   1          1HG2      VAL   1  -2.226  12.447   8.252
   11   HG23  VAL   1          2HG2      VAL   1  -3.324  13.123   9.456
   12    H    VAL   2           H        VAL   2  -6.592  14.067   5.645
   13    HA   VAL   2           HA       VAL   2  -8.698  12.008   5.720
   14    HB   VAL   2           HB       VAL   2  -8.633  14.567   4.104
   15   HG11  VAL   2          1HG1      VAL   2 -11.018  14.109   3.729
   16   HG12  VAL   2          2HG1      VAL   2 -10.847  12.573   4.580
   17   HG13  VAL   2          3HG1      VAL   2  -9.983  12.843   3.066
   18   HG21  VAL   2          3HG2      VAL   2 -10.328  15.388   5.685
   19   HG22  VAL   2          1HG2      VAL   2  -8.777  15.081   6.463
   20   HG23  VAL   2          2HG2      VAL   2 -10.103  13.935   6.661
   21    H    TYR   3           H        TYR   3  -8.153  10.287   4.549
   22    HA   TYR   3           HA       TYR   3  -6.497  10.607   2.174
   23    HB2  TYR   3           2HB      TYR   3  -7.358   8.277   3.836
   24    HB3  TYR   3           1HB      TYR   3  -6.863   8.001   2.170
   25    HD1  TYR   3           HD2      TYR   3  -4.571   9.332   1.572
   26    HD2  TYR   3           HD1      TYR   3  -5.724   7.973   5.432
   27    HE1  TYR   3           HE2      TYR   3  -2.208   9.297   2.258
   28    HE2  TYR   3           HE1      TYR   3  -3.368   7.931   6.127
   29    HH   TYR   3           HH       TYR   3  -1.136   7.755   5.070
   30    H    THR   4           H        THR   4  -7.257   8.787   0.462
   31    HA   THR   4           HA       THR   4 -10.056   9.357  -0.201
   32    HB   THR   4           HB       THR   4  -9.406   9.451  -2.579
   33    HG1  THR   4           HG1      THR   4  -7.554   8.291  -2.709
   34   HG21  THR   4          3HG2      THR   4  -8.266  11.618  -2.558
   35   HG22  THR   4          1HG2      THR   4  -7.817  11.372  -0.869
   36   HG23  THR   4          2HG2      THR   4  -9.514  11.548  -1.315
   37    H    ASP   5           H        ASP   5 -10.290   7.734  -2.422
   38    HA   ASP   5           HA       ASP   5  -9.958   5.100  -1.228
   39    HB2  ASP   5           2HB      ASP   5 -11.271   5.975  -3.826
   40    HB3  ASP   5           1HB      ASP   5 -11.221   4.314  -3.254
   41    H    CYS   6           H        CYS   6  -9.264   3.343  -2.904
   42    HA   CYS   6           HA       CYS   6  -6.553   3.930  -3.543
   43    HB2  CYS   6           2HB      CYS   6  -8.114   1.459  -4.279
   44    HB3  CYS   6           1HB      CYS   6  -6.369   1.610  -4.150
   45    HG   CYS   6           HG       CYS   6  -7.488   0.113  -1.989
   46    H    THR   7           H        THR   7  -5.607   4.308  -5.439
   47    HA   THR   7           HA       THR   7  -7.342   4.729  -7.763
   48    HB   THR   7           HB       THR   7  -4.519   5.730  -7.301
   49    HG1  THR   7           HG1      THR   7  -6.717   7.459  -7.237
   50   HG21  THR   7          3HG2      THR   7  -5.026   7.301  -9.108
   51   HG22  THR   7          1HG2      THR   7  -6.611   6.556  -9.318
   52   HG23  THR   7          2HG2      THR   7  -5.148   5.632  -9.663
   53    H    GLU   8           H        GLU   8  -4.819   2.708  -6.575
   54    HA   GLU   8           HA       GLU   8  -4.602   1.419  -9.189
   55    HB2  GLU   8           2HB      GLU   8  -2.658   3.044  -8.721
   56    HB3  GLU   8           1HB      GLU   8  -2.161   1.891  -7.500
   57    HG2  GLU   8           2HG      GLU   8  -1.959   0.153  -9.185
   58    HG3  GLU   8           1HG      GLU   8  -2.495   1.284 -10.426
   59    H    SER   9           H        SER   9  -3.873  -0.714  -9.097
   60    HA   SER   9           HA       SER   9  -4.458  -2.080  -6.599
   61    HB2  SER   9           2HB      SER   9  -3.811  -3.220  -9.340
   62    HB3  SER   9           1HB      SER   9  -4.421  -4.120  -7.942
   63    HG   SER   9           HG       SER   9  -5.749  -2.333  -9.642
   64    H    GLY  10           H        GLY  10  -2.834  -2.290  -5.242
   65    HA2  GLY  10           2HA      GLY  10  -0.560  -3.239  -4.919
   66    HA3  GLY  10           1HA      GLY  10  -0.088  -2.314  -6.340
   67    H    GLN  11           H        GLN  11  -2.271  -0.442  -4.883
   68    HA   GLN  11           HA       GLN  11  -0.295   1.128  -3.435
   69    HB2  GLN  11           2HB      GLN  11  -2.805   1.662  -4.749
   70    HB3  GLN  11           1HB      GLN  11  -2.894   2.218  -3.073
   71    HG2  GLN  11           2HG      GLN  11  -1.925   4.068  -3.860
   72    HG3  GLN  11           1HG      GLN  11  -0.452   3.113  -3.816
   73   HE21  GLN  11          1HE2      GLN  11  -2.810   4.616  -5.781
   74   HE22  GLN  11          2HE2      GLN  11  -2.023   4.357  -7.302
   75    H    ASN  12           H        ASN  12  -1.673   2.186  -1.323
   76    HA   ASN  12           HA       ASN  12  -3.061   0.132   0.110
   77    HB2  ASN  12           2HB      ASN  12  -1.419   0.241   2.059
   78    HB3  ASN  12           1HB      ASN  12  -1.034  -0.793   0.696
   79   HD21  ASN  12          1HD2      ASN  12   1.104  -0.780   1.346
   80   HD22  ASN  12          2HD2      ASN  12   2.146   0.566   1.041
   81    H    LEU  13           H        LEU  13  -1.219   3.090   0.767
   82    HA   LEU  13           HA       LEU  13  -2.729   4.022   2.925
   83    HB2  LEU  13           2HB      LEU  13  -1.011   5.452   0.918
   84    HB3  LEU  13           1HB      LEU  13  -1.778   6.288   2.256
   85    HG   LEU  13           HG       LEU  13   0.110   3.959   2.630
   86   HD11  LEU  13          1HD1      LEU  13   1.291   5.798   1.542
   87   HD12  LEU  13          2HD1      LEU  13   1.797   5.631   3.222
   88   HD13  LEU  13          3HD1      LEU  13   0.685   6.919   2.759
   89   HD21  LEU  13          3HD2      LEU  13   0.205   4.726   4.919
   90   HD22  LEU  13          1HD2      LEU  13  -1.477   4.447   4.471
   91   HD23  LEU  13          2HD2      LEU  13  -0.845   6.090   4.543
   92    H    CYS  14           H        CYS  14  -4.771   3.295   1.710
   93    HA   CYS  14           HA       CYS  14  -6.257   5.715   1.124
   94    HB2  CYS  14           2HB      CYS  14  -7.233   4.304  -0.930
   95    HB3  CYS  14           1HB      CYS  14  -5.890   5.414  -1.108
   96    HG   CYS  14           HG       CYS  14  -5.554   2.045  -0.643
   97    H    LEU  15           H        LEU  15  -8.666   5.201   0.970
   98    HA   LEU  15           HA       LEU  15  -9.357   3.264   3.001
   99    HB2  LEU  15           2HB      LEU  15 -11.537   4.377   1.368
  100    HB3  LEU  15           1HB      LEU  15 -11.388   4.249   3.106
  101    HG   LEU  15           HG       LEU  15  -9.977   6.357   1.465
  102   HD11  LEU  15          1HD1      LEU  15 -11.684   7.901   2.294
  103   HD12  LEU  15          2HD1      LEU  15 -12.554   6.545   3.014
  104   HD13  LEU  15          3HD1      LEU  15 -12.374   6.647   1.262
  105   HD21  LEU  15          3HD2      LEU  15  -9.614   7.451   3.581
  106   HD22  LEU  15          1HD2      LEU  15  -8.967   5.814   3.643
  107   HD23  LEU  15          2HD2      LEU  15 -10.506   6.184   4.424
  108    H    CYS  16           H        CYS  16  -8.900   1.257   2.191
  109    HA   CYS  16           HA       CYS  16  -9.827   0.570  -0.459
  110    HB2  CYS  16           2HB      CYS  16  -7.516   0.042   0.314
  111    HB3  CYS  16           1HB      CYS  16  -8.213  -1.077   1.474
  112    HG   CYS  16           HG       CYS  16  -9.467  -2.569  -0.701
  113    H    GLU  17           H        GLU  17  -9.878  -1.021   2.704
  114    HA   GLU  17           HA       GLU  17 -11.998  -2.784   1.828
  115    HB2  GLU  17           2HB      GLU  17  -9.958  -2.987   3.620
  116    HB3  GLU  17           1HB      GLU  17 -11.370  -2.735   4.633
  117    HG2  GLU  17           2HG      GLU  17 -12.446  -4.663   3.703
  118    HG3  GLU  17           1HG      GLU  17 -11.140  -4.877   2.536
  119    H    GLY  18           H        GLY  18 -13.899  -1.936   1.793
  120    HA2  GLY  18           2HA      GLY  18 -15.757  -0.652   2.269
  121    HA3  GLY  18           1HA      GLY  18 -15.444  -1.137   3.930
  122    H    SER  19           H        SER  19 -14.534   0.293   5.346
  123    HA   SER  19           HA       SER  19 -13.819   2.953   4.287
  124    HB2  SER  19           2HB      SER  19 -14.489   3.697   6.670
  125    HB3  SER  19           1HB      SER  19 -15.774   3.353   5.513
  126    HG   SER  19           HG       SER  19 -15.361   2.247   7.892
  127    H    ASN  20           H        ASN  20 -12.357   0.316   5.214
  128    HA   ASN  20           HA       ASN  20 -10.681   1.187   7.364
  129    HB2  ASN  20           2HB      ASN  20 -10.445  -1.093   5.395
  130    HB3  ASN  20           1HB      ASN  20  -9.220  -0.765   6.611
  131   HD21  ASN  20          1HD2      ASN  20 -12.676  -0.365   7.089
  132   HD22  ASN  20          2HD2      ASN  20 -12.851  -1.646   8.239
  133    H    VAL  21           H        VAL  21  -9.002   2.445   7.295
  134    HA   VAL  21           HA       VAL  21  -7.905   3.352   4.743
  135    HB   VAL  21           HB       VAL  21  -7.008   4.179   7.510
  136   HG11  VAL  21          1HG1      VAL  21  -6.364   6.254   6.379
  137   HG12  VAL  21          2HG1      VAL  21  -6.904   5.574   4.845
  138   HG13  VAL  21          3HG1      VAL  21  -5.550   4.843   5.704
  139   HG21  VAL  21          3HG2      VAL  21  -9.285   5.348   5.923
  140   HG22  VAL  21          1HG2      VAL  21  -8.586   6.065   7.372
  141   HG23  VAL  21          2HG2      VAL  21  -9.402   4.505   7.463
  142    H    CYS  22           H        CYS  22  -6.517   1.856   3.935
  143    HA   CYS  22           HA       CYS  22  -4.814   0.377   5.736
  144    HB2  CYS  22           2HB      CYS  22  -5.624   0.122   2.899
  145    HB3  CYS  22           1HB      CYS  22  -4.003  -0.418   3.295
  146    HG   CYS  22           HG       CYS  22  -4.857  -2.178   5.331
  147    H    GLY  23           H        GLY  23  -2.497   0.142   5.269
  148    HA2  GLY  23           2HA      GLY  23  -1.234   2.441   4.004
  149    HA3  GLY  23           1HA      GLY  23  -0.948   2.224   5.726
  150    H    GLN  24           H        GLN  24   1.167   1.605   5.785
  151    HA   GLN  24           HA       GLN  24   2.179  -0.114   3.691
  152    HB2  GLN  24           2HB      GLN  24   3.451   1.870   4.614
  153    HB3  GLN  24           1HB      GLN  24   3.679   0.939   6.092
  154    HG2  GLN  24           2HG      GLN  24   5.640   0.710   4.764
  155    HG3  GLN  24           1HG      GLN  24   4.780  -0.827   4.729
  156   HE21  GLN  24          1HE2      GLN  24   3.909   2.050   2.897
  157   HE22  GLN  24          2HE2      GLN  24   4.270   1.384   1.339
  158    H    GLY  25           H        GLY  25   2.818  -2.185   3.924
  159    HA2  GLY  25           2HA      GLY  25   3.149  -4.173   5.258
  160    HA3  GLY  25           1HA      GLY  25   2.036  -3.493   6.444
  161    H    ASN  26           H        ASN  26   0.452  -2.502   4.023
  162    HA   ASN  26           HA       ASN  26  -0.760  -5.081   3.288
  163    HB2  ASN  26           2HB      ASN  26  -2.083  -2.428   3.831
  164    HB3  ASN  26           1HB      ASN  26  -2.889  -3.716   2.943
  165   HD21  ASN  26          1HD2      ASN  26  -1.809  -2.607   6.030
  166   HD22  ASN  26          2HD2      ASN  26  -2.523  -3.877   6.969
  167    H    LYS  27           H        LYS  27  -1.739  -5.197   1.215
  168    HA   LYS  27           HA       LYS  27  -0.812  -3.234  -0.762
  169    HB2  LYS  27           2HB      LYS  27   0.590  -5.252  -0.858
  170    HB3  LYS  27           1HB      LYS  27  -0.848  -6.254  -0.990
  171    HG2  LYS  27           2HG      LYS  27  -0.408  -6.159  -3.171
  172    HG3  LYS  27           1HG      LYS  27  -1.214  -4.597  -3.084
  173    HD2  LYS  27           2HD      LYS  27   0.802  -4.203  -4.240
  174    HD3  LYS  27           1HD      LYS  27   1.067  -3.603  -2.607
  175    HE2  LYS  27           2HE      LYS  27   3.018  -4.797  -3.207
  176    HE3  LYS  27           1HE      LYS  27   2.125  -5.834  -2.096
  177    HZ1  LYS  27           3HZ      LYS  27   1.326  -7.128  -3.929
  178    HZ2  LYS  27           1HZ      LYS  27   3.015  -7.014  -4.045
  179    HZ3  LYS  27           2HZ      LYS  27   2.028  -6.070  -5.056
  180    H    CYS  28           H        CYS  28  -2.682  -2.278  -1.401
  181    HA   CYS  28           HA       CYS  28  -5.168  -3.775  -1.355
  182    HB2  CYS  28           2HB      CYS  28  -4.592  -0.871  -1.991
  183    HB3  CYS  28           1HB      CYS  28  -6.194  -1.580  -1.828
  184    HG   CYS  28           HG       CYS  28  -5.959  -2.146   0.868
  185    H    ILE  29           H        ILE  29  -6.111  -4.615  -3.116
  186    HA   ILE  29           HA       ILE  29  -5.169  -3.738  -5.753
  187    HB   ILE  29           HB       ILE  29  -5.476  -6.176  -6.469
  188   HG12  ILE  29          2HG1      ILE  29  -5.102  -6.595  -3.499
  189   HG13  ILE  29          1HG1      ILE  29  -6.597  -6.898  -4.378
  190   HG21  ILE  29          1HG2      ILE  29  -3.315  -5.070  -6.379
  191   HG22  ILE  29          2HG2      ILE  29  -3.178  -6.741  -5.831
  192   HG23  ILE  29          3HG2      ILE  29  -3.188  -5.425  -4.656
  193   HD11  ILE  29          3HD1      ILE  29  -5.488  -8.628  -5.682
  194   HD12  ILE  29          1HD1      ILE  29  -5.370  -8.955  -3.953
  195   HD13  ILE  29          2HD1      ILE  29  -3.978  -8.311  -4.827
  196    H    LEU  30           H        LEU  30  -6.715  -3.207  -7.084
  197    HA   LEU  30           HA       LEU  30  -9.488  -3.737  -6.452
  198    HB2  LEU  30           2HB      LEU  30  -8.223  -2.179  -8.719
  199    HB3  LEU  30           1HB      LEU  30  -9.947  -2.321  -8.453
  200    HG   LEU  30           HG       LEU  30  -9.508  -1.226  -6.175
  201   HD11  LEU  30          1HD1      LEU  30  -6.939  -0.483  -7.558
  202   HD12  LEU  30          2HD1      LEU  30  -7.093  -1.490  -6.118
  203   HD13  LEU  30          3HD1      LEU  30  -7.544   0.216  -6.055
  204   HD21  LEU  30          3HD2      LEU  30 -10.645  -0.100  -7.996
  205   HD22  LEU  30          1HD2      LEU  30  -9.095   0.329  -8.720
  206   HD23  LEU  30          2HD2      LEU  30  -9.562   1.019  -7.166
  207    H    GLY  31           H        GLY  31  -9.411  -6.028  -6.772
  208    HA2  GLY  31           2HA      GLY  31  -8.781  -6.984  -9.451
  209    HA3  GLY  31           1HA      GLY  31  -9.129  -7.979  -8.045
  210    H    ARG  32           H        ARG  32 -11.040  -8.908  -7.955
  211    HA   ARG  32           HA       ARG  32 -13.428  -7.744  -8.983
  212    HB2  ARG  32           2HB      ARG  32 -13.855  -9.492 -10.710
  213    HB3  ARG  32           1HB      ARG  32 -12.541  -8.401 -11.128
  214    HG2  ARG  32           2HG      ARG  32 -10.915 -10.075 -10.440
  215    HG3  ARG  32           1HG      ARG  32 -12.224 -11.169  -9.990
  216    HD2  ARG  32           2HD      ARG  32 -12.971 -11.292 -12.270
  217    HD3  ARG  32           1HD      ARG  32 -11.810 -10.058 -12.760
  218    HE   ARG  32           HE       ARG  32 -10.224 -11.970 -11.719
  219   HH11  ARG  32          1HH1      ARG  32 -12.827 -12.092 -14.060
  220   HH12  ARG  32          2HH1      ARG  32 -12.135 -13.418 -14.946
  221   HH21  ARG  32          1HH2      ARG  32  -9.316 -13.711 -12.868
  222   HH22  ARG  32          2HH2      ARG  32 -10.127 -14.336 -14.275
  223    H    GLY  33           H        GLY  33 -15.193  -9.596  -9.058
  224    HA2  GLY  33           2HA      GLY  33 -16.341 -11.211  -7.885
  225    HA3  GLY  33           1HA      GLY  33 -14.788 -11.842  -7.353
  226    H    ASP  34           H        ASP  34 -14.480 -11.789  -5.242
  227    HA   ASP  34           HA       ASP  34 -15.967  -9.842  -3.628
  228    HB2  ASP  34           2HB      ASP  34 -16.009 -12.259  -2.985
  229    HB3  ASP  34           1HB      ASP  34 -14.271 -12.181  -2.720
  230    H    SER  35           H        SER  35 -12.874 -10.578  -4.871
  231    HA   SER  35           HA       SER  35 -11.454  -8.830  -3.019
  232    HB2  SER  35           2HB      SER  35 -10.467 -11.004  -3.784
  233    HB3  SER  35           1HB      SER  35 -10.416 -10.363  -5.420
  234    HG   SER  35           HG       SER  35  -9.032  -8.698  -4.620
  235    H    LYS  36           H        LYS  36 -13.443  -7.587  -4.584
  236    HA   LYS  36           HA       LYS  36 -12.459  -6.556  -7.011
  237    HB2  LYS  36           2HB      LYS  36 -14.341  -4.864  -6.753
  238    HB3  LYS  36           1HB      LYS  36 -14.793  -6.556  -6.803
  239    HG2  LYS  36           2HG      LYS  36 -16.142  -5.628  -5.147
  240    HG3  LYS  36           1HG      LYS  36 -14.864  -6.441  -4.252
  241    HD2  LYS  36           2HD      LYS  36 -13.744  -4.357  -3.850
  242    HD3  LYS  36           1HD      LYS  36 -14.864  -3.499  -4.906
  243    HE2  LYS  36           2HE      LYS  36 -15.722  -4.958  -2.413
  244    HE3  LYS  36           1HE      LYS  36 -15.283  -3.251  -2.431
  245    HZ1  LYS  36           3HZ      LYS  36 -17.446  -4.459  -4.070
  246    HZ2  LYS  36           1HZ      LYS  36 -17.067  -2.810  -3.958
  247    HZ3  LYS  36           2HZ      LYS  36 -17.691  -3.632  -2.612
  248    H    ASN  37           H        ASN  37 -12.182  -5.427  -3.733
  249    HA   ASN  37           HA       ASN  37 -10.053  -3.656  -4.512
  250    HB2  ASN  37           2HB      ASN  37 -12.158  -2.279  -4.751
  251    HB3  ASN  37           1HB      ASN  37 -12.438  -2.515  -3.031
  252   HD21  ASN  37          1HD2      ASN  37 -11.344  -1.302  -1.588
  253   HD22  ASN  37          2HD2      ASN  37 -10.238  -0.047  -2.027
  254    H    GLN  38           H        GLN  38  -8.944  -5.298  -3.259
  255    HA   GLN  38           HA       GLN  38  -9.807  -5.478  -0.441
  256    HB2  GLN  38           2HB      GLN  38 -10.316  -7.495  -1.735
  257    HB3  GLN  38           1HB      GLN  38  -8.630  -7.634  -2.202
  258    HG2  GLN  38           2HG      GLN  38  -9.258  -9.194  -0.419
  259    HG3  GLN  38           1HG      GLN  38  -7.983  -8.079   0.072
  260   HE21  GLN  38          1HE2      GLN  38  -8.414  -8.301   2.247
  261   HE22  GLN  38          2HE2      GLN  38  -9.821  -7.622   2.992
  262    H    CYS  39           H        CYS  39  -8.299  -5.637   1.163
  263    HA   CYS  39           HA       CYS  39  -5.618  -4.715   0.546
  264    HB2  CYS  39           2HB      CYS  39  -7.018  -5.088   3.189
  265    HB3  CYS  39           1HB      CYS  39  -5.446  -4.346   2.960
  266    HG   CYS  39           HG       CYS  39  -7.147  -2.278   3.496
  267    H    VAL  40           H        VAL  40  -4.467  -6.514  -0.136
  268    HA   VAL  40           HA       VAL  40  -4.468  -8.874   1.581
  269    HB   VAL  40           HB       VAL  40  -4.380  -8.883  -0.984
  270   HG11  VAL  40          1HG1      VAL  40  -2.612  -7.252  -1.291
  271   HG12  VAL  40          2HG1      VAL  40  -2.153  -8.803  -1.991
  272   HG13  VAL  40          3HG1      VAL  40  -1.476  -8.299  -0.443
  273   HG21  VAL  40          3HG2      VAL  40  -2.959 -10.899  -1.023
  274   HG22  VAL  40          1HG2      VAL  40  -4.095 -10.894   0.327
  275   HG23  VAL  40          2HG2      VAL  40  -2.396 -10.507   0.601
  276    H    THR  41           H        THR  41  -2.325  -9.679   2.433
  277    HA   THR  41           HA       THR  41  -0.986  -7.384   3.598
  278    HB   THR  41           HB       THR  41   0.160  -9.151   5.016
  279    HG1  THR  41           HG1      THR  41  -0.175 -10.998   3.797
  280   HG21  THR  41          3HG2      THR  41  -2.853  -8.958   5.082
  281   HG22  THR  41          1HG2      THR  41  -1.721  -7.816   5.809
  282   HG23  THR  41          2HG2      THR  41  -1.822  -9.467   6.420
  283    H    GLY  42           H        GLY  42   0.901  -6.659   3.032
  284    HA2  GLY  42           2HA      GLY  42   3.135  -8.130   2.226
  285    HA3  GLY  42           1HA      GLY  42   2.300  -7.598   0.770
  286    H    GLU  43           H        GLU  43   3.277  -5.834  -0.035
  287    HA   GLU  43           HA       GLU  43   3.332  -3.508   1.663
  288    HB2  GLU  43           2HB      GLU  43   5.672  -2.886   0.972
  289    HB3  GLU  43           1HB      GLU  43   5.544  -4.189   2.140
  290    HG2  GLU  43           2HG      GLU  43   5.920  -5.820   0.363
  291    HG3  GLU  43           1HG      GLU  43   6.052  -4.505  -0.809
  292    H    GLY  44           H        GLY  44   2.117  -2.196   0.530
  293    HA2  GLY  44           2HA      GLY  44   2.169  -2.303  -2.373
  294    HA3  GLY  44           1HA      GLY  44   1.021  -1.418  -1.380
  295    H    THR  45           H        THR  45   1.222   0.495  -2.446
  296    HA   THR  45           HA       THR  45   3.771   1.901  -2.099
  297    HB   THR  45           HB       THR  45   2.448   2.825  -4.474
  298    HG1  THR  45           HG1      THR  45   2.076   0.263  -4.182
  299   HG21  THR  45          3HG2      THR  45   4.627   2.341  -5.509
  300   HG22  THR  45          1HG2      THR  45   5.105   1.438  -4.070
  301   HG23  THR  45          2HG2      THR  45   4.816   3.174  -3.966
  302    HA   PRO  46           HA       PRO  46   1.166   5.079  -0.379
  303    HB2  PRO  46           2HB      PRO  46   3.152   6.953  -1.553
  304    HB3  PRO  46           1HB      PRO  46   2.603   6.805   0.120
  305    HG2  PRO  46           2HG      PRO  46   5.024   5.945  -0.619
  306    HG3  PRO  46           1HG      PRO  46   4.064   5.069   0.587
  307    HD2  PRO  46           2HD      PRO  46   4.541   4.420  -2.290
  308    HD3  PRO  46           1HD      PRO  46   4.409   3.332  -0.893
  309    H    LYS  47           H        LYS  47  -0.528   6.188  -1.182
  310    HA   LYS  47           HA       LYS  47  -0.840   6.039  -4.056
  311    HB2  LYS  47           2HB      LYS  47  -2.543   5.272  -2.261
  312    HB3  LYS  47           1HB      LYS  47  -2.949   6.977  -2.118
  313    HG2  LYS  47           2HG      LYS  47  -3.103   6.714  -4.770
  314    HG3  LYS  47           1HG      LYS  47  -3.496   5.067  -4.287
  315    HD2  LYS  47           2HD      LYS  47  -5.586   5.989  -4.258
  316    HD3  LYS  47           1HD      LYS  47  -5.087   6.309  -2.598
  317    HE2  LYS  47           2HE      LYS  47  -4.806   8.265  -4.873
  318    HE3  LYS  47           1HE      LYS  47  -6.147   8.255  -3.731
  319    HZ1  LYS  47           3HZ      LYS  47  -3.282   8.740  -3.098
  320    HZ2  LYS  47           1HZ      LYS  47  -4.514   8.619  -1.938
  321    HZ3  LYS  47           2HZ      LYS  47  -4.534   9.874  -3.070
  322    HA   PRO  48           HA       PRO  48   0.321  10.389  -4.538
  323    HB2  PRO  48           2HB      PRO  48  -0.934   9.796  -7.174
  324    HB3  PRO  48           1HB      PRO  48   0.616  10.563  -6.808
  325    HG2  PRO  48           2HG      PRO  48   0.522   8.051  -7.681
  326    HG3  PRO  48           1HG      PRO  48   1.682   8.542  -6.432
  327    HD2  PRO  48           2HD      PRO  48  -0.857   6.998  -6.162
  328    HD3  PRO  48           1HD      PRO  48   0.671   6.823  -5.276
  329    H    GLN  49           H        GLN  49  -0.860  12.350  -4.844
  330    HA   GLN  49           HA       GLN  49  -3.721  11.929  -4.340
  331    HB2  GLN  49           2HB      GLN  49  -3.317  13.989  -2.730
  332    HB3  GLN  49           1HB      GLN  49  -3.083  12.332  -2.202
  333    HG2  GLN  49           2HG      GLN  49  -0.685  12.540  -2.649
  334    HG3  GLN  49           1HG      GLN  49  -0.929  14.216  -3.121
  335   HE21  GLN  49          1HE2      GLN  49   0.419  14.975  -1.501
  336   HE22  GLN  49          2HE2      GLN  49  -0.039  14.966   0.167
  337    H    SER  50           H        SER  50  -1.224  14.251  -5.402
  338    HA   SER  50           HA       SER  50  -3.465  15.912  -6.352
  339    HB2  SER  50           2HB      SER  50  -0.591  16.711  -5.880
  340    HB3  SER  50           1HB      SER  50  -1.869  17.784  -6.455
  341    HG   SER  50           HG       SER  50  -1.263  17.022  -3.941
  342    H    HIS  51           H        HIS  51  -0.169  15.979  -7.701
  343    HA   HIS  51           HA       HIS  51  -1.457  15.960 -10.330
  344    HB2  HIS  51           2HB      HIS  51   1.390  16.630  -9.592
  345    HB3  HIS  51           1HB      HIS  51   0.641  16.886 -11.163
  346    HD1  HIS  51           HD1      HIS  51   1.101  18.471  -7.867
  347    HD2  HIS  51           HD2      HIS  51  -1.346  18.963 -11.191
  348    HE1  HIS  51           HE1      HIS  51   0.071  20.752  -7.617
  349    HE2  HIS  51           HE2      HIS  51  -1.474  20.995  -9.600
  Start of MODEL    8
    1    H1   VAL   1           1H       VAL   1  -5.913  13.464   8.278
    2    H2   VAL   1           2H       VAL   1  -5.822  15.042   7.673
    3    H3   VAL   1           3H       VAL   1  -4.498  14.381   8.498
    4    HA   VAL   1           HA       VAL   1  -4.025  14.368   6.184
    5    HB   VAL   1           HB       VAL   1  -3.691  11.968   5.762
    6   HG11  VAL   1          1HG1      VAL   1  -2.381  11.443   7.781
    7   HG12  VAL   1          2HG1      VAL   1  -3.148  12.800   8.609
    8   HG13  VAL   1          3HG1      VAL   1  -2.114  13.087   7.208
    9   HG21  VAL   1          3HG2      VAL   1  -4.486  10.296   7.368
   10   HG22  VAL   1          1HG2      VAL   1  -5.824  11.117   6.565
   11   HG23  VAL   1          2HG2      VAL   1  -5.392  11.548   8.219
   12    H    VAL   2           H        VAL   2  -4.566  13.676   4.028
   13    HA   VAL   2           HA       VAL   2  -7.486  13.465   3.686
   14    HB   VAL   2           HB       VAL   2  -5.519  14.615   1.698
   15   HG11  VAL   2          1HG1      VAL   2  -7.553  13.702   0.688
   16   HG12  VAL   2          2HG1      VAL   2  -7.516  15.461   0.567
   17   HG13  VAL   2          3HG1      VAL   2  -8.539  14.680   1.774
   18   HG21  VAL   2          3HG2      VAL   2  -5.629  16.016   3.695
   19   HG22  VAL   2          1HG2      VAL   2  -7.387  16.055   3.581
   20   HG23  VAL   2          2HG2      VAL   2  -6.405  16.808   2.324
   21    H    TYR   3           H        TYR   3  -7.201  11.124   3.910
   22    HA   TYR   3           HA       TYR   3  -6.095   9.864   1.517
   23    HB2  TYR   3           2HB      TYR   3  -7.312   8.639   3.996
   24    HB3  TYR   3           1HB      TYR   3  -6.705   7.721   2.629
   25    HD1  TYR   3           HD2      TYR   3  -4.264   9.599   2.171
   26    HD2  TYR   3           HD1      TYR   3  -5.829   7.632   5.603
   27    HE1  TYR   3           HE2      TYR   3  -2.018   9.581   3.176
   28    HE2  TYR   3           HE1      TYR   3  -3.588   7.606   6.615
   29    HH   TYR   3           HH       TYR   3  -1.001   9.459   5.421
   30    H    THR   4           H        THR   4  -7.394   8.431   0.280
   31    HA   THR   4           HA       THR   4 -10.270   8.922   0.370
   32    HB   THR   4           HB       THR   4 -10.111   8.997  -2.220
   33    HG1  THR   4           HG1      THR   4  -8.018  10.158  -2.736
   34   HG21  THR   4          3HG2      THR   4  -9.172  11.329  -0.549
   35   HG22  THR   4          1HG2      THR   4 -10.844  10.898  -0.895
   36   HG23  THR   4          2HG2      THR   4  -9.787  11.439  -2.197
   37    H    ASP   5           H        ASP   5 -10.770   7.429  -2.057
   38    HA   ASP   5           HA       ASP   5 -10.318   4.773  -0.946
   39    HB2  ASP   5           2HB      ASP   5 -11.922   5.674  -3.362
   40    HB3  ASP   5           1HB      ASP   5 -11.826   4.011  -2.792
   41    H    CYS   6           H        CYS   6  -9.486   3.039  -2.294
   42    HA   CYS   6           HA       CYS   6  -7.003   3.732  -3.415
   43    HB2  CYS   6           2HB      CYS   6  -8.447   1.118  -3.821
   44    HB3  CYS   6           1HB      CYS   6  -6.712   1.406  -3.850
   45    HG   CYS   6           HG       CYS   6  -7.012   2.341  -1.013
   46    H    THR   7           H        THR   7  -6.293   3.973  -5.443
   47    HA   THR   7           HA       THR   7  -8.333   4.087  -7.560
   48    HB   THR   7           HB       THR   7  -5.617   5.386  -7.637
   49    HG1  THR   7           HG1      THR   7  -6.720   7.278  -6.837
   50   HG21  THR   7          3HG2      THR   7  -6.840   5.267  -9.756
   51   HG22  THR   7          1HG2      THR   7  -6.725   6.934  -9.191
   52   HG23  THR   7          2HG2      THR   7  -8.233   6.042  -9.003
   53    H    GLU   8           H        GLU   8  -5.263   2.706  -6.661
   54    HA   GLU   8           HA       GLU   8  -5.205   1.203  -9.168
   55    HB2  GLU   8           2HB      GLU   8  -3.242   3.128  -8.229
   56    HB3  GLU   8           1HB      GLU   8  -2.529   1.540  -8.475
   57    HG2  GLU   8           2HG      GLU   8  -3.966   3.253 -10.477
   58    HG3  GLU   8           1HG      GLU   8  -2.281   2.734 -10.495
   59    H    SER   9           H        SER   9  -3.986  -0.749  -9.059
   60    HA   SER   9           HA       SER   9  -4.317  -2.033  -6.472
   61    HB2  SER   9           2HB      SER   9  -3.544  -3.206  -9.159
   62    HB3  SER   9           1HB      SER   9  -3.976  -4.119  -7.710
   63    HG   SER   9           HG       SER   9  -5.609  -2.548  -9.388
   64    H    GLY  10           H        GLY  10  -2.675  -2.399  -5.122
   65    HA2  GLY  10           2HA      GLY  10  -0.322  -2.972  -4.768
   66    HA3  GLY  10           1HA      GLY  10   0.067  -1.983  -6.171
   67    H    GLN  11           H        GLN  11  -2.252  -0.285  -4.847
   68    HA   GLN  11           HA       GLN  11  -0.468   1.425  -3.302
   69    HB2  GLN  11           2HB      GLN  11  -2.955   1.766  -4.776
   70    HB3  GLN  11           1HB      GLN  11  -3.070   2.466  -3.164
   71    HG2  GLN  11           2HG      GLN  11  -1.964   4.238  -3.861
   72    HG3  GLN  11           1HG      GLN  11  -0.571   3.226  -4.228
   73   HE21  GLN  11          1HE2      GLN  11  -3.366   4.834  -5.502
   74   HE22  GLN  11          2HE2      GLN  11  -2.934   4.693  -7.174
   75    H    ASN  12           H        ASN  12  -1.318   2.252  -1.134
   76    HA   ASN  12           HA       ASN  12  -2.992   0.243   0.169
   77    HB2  ASN  12           2HB      ASN  12  -1.429   0.463   2.200
   78    HB3  ASN  12           1HB      ASN  12  -1.003  -0.616   0.886
   79   HD21  ASN  12          1HD2      ASN  12   1.123  -0.579   1.513
   80   HD22  ASN  12          2HD2      ASN  12   2.157   0.768   1.178
   81    H    LEU  13           H        LEU  13  -1.316   3.286   0.886
   82    HA   LEU  13           HA       LEU  13  -2.871   4.074   3.067
   83    HB2  LEU  13           2HB      LEU  13  -1.327   5.760   1.098
   84    HB3  LEU  13           1HB      LEU  13  -1.997   6.367   2.600
   85    HG   LEU  13           HG       LEU  13   0.060   4.161   2.448
   86   HD11  LEU  13          1HD1      LEU  13   0.940   6.299   1.598
   87   HD12  LEU  13          2HD1      LEU  13   1.686   5.822   3.122
   88   HD13  LEU  13          3HD1      LEU  13   0.450   7.080   3.100
   89   HD21  LEU  13          3HD2      LEU  13   0.299   4.485   4.808
   90   HD22  LEU  13          1HD2      LEU  13  -1.412   4.237   4.463
   91   HD23  LEU  13          2HD2      LEU  13  -0.806   5.859   4.783
   92    H    CYS  14           H        CYS  14  -4.876   3.307   1.846
   93    HA   CYS  14           HA       CYS  14  -6.502   5.634   1.298
   94    HB2  CYS  14           2HB      CYS  14  -7.395   4.266  -0.794
   95    HB3  CYS  14           1HB      CYS  14  -6.042   5.370  -0.947
   96    HG   CYS  14           HG       CYS  14  -4.863   2.441  -0.102
   97    H    LEU  15           H        LEU  15  -8.872   4.937   1.138
   98    HA   LEU  15           HA       LEU  15  -9.387   2.823   3.055
   99    HB2  LEU  15           2HB      LEU  15 -11.690   3.930   1.593
  100    HB3  LEU  15           1HB      LEU  15 -11.460   3.699   3.310
  101    HG   LEU  15           HG       LEU  15 -10.243   5.988   1.756
  102   HD11  LEU  15          1HD1      LEU  15 -12.681   6.131   1.731
  103   HD12  LEU  15          2HD1      LEU  15 -11.981   7.370   2.771
  104   HD13  LEU  15          3HD1      LEU  15 -12.718   5.934   3.483
  105   HD21  LEU  15          3HD2      LEU  15 -10.569   5.540   4.723
  106   HD22  LEU  15          1HD2      LEU  15  -9.852   6.954   3.952
  107   HD23  LEU  15          2HD2      LEU  15  -9.060   5.385   3.823
  108    H    CYS  16           H        CYS  16  -9.223   0.825   2.343
  109    HA   CYS  16           HA       CYS  16  -9.701   0.249  -0.457
  110    HB2  CYS  16           2HB      CYS  16  -7.590  -0.485   0.404
  111    HB3  CYS  16           1HB      CYS  16  -8.366  -1.297   1.751
  112    HG   CYS  16           HG       CYS  16  -9.776  -2.956  -0.335
  113    H    GLU  17           H        GLU  17 -10.240  -1.594   2.512
  114    HA   GLU  17           HA       GLU  17 -12.450  -2.981   1.234
  115    HB2  GLU  17           2HB      GLU  17 -10.618  -3.971   2.728
  116    HB3  GLU  17           1HB      GLU  17 -11.580  -3.348   4.049
  117    HG2  GLU  17           2HG      GLU  17 -13.433  -4.724   3.438
  118    HG3  GLU  17           1HG      GLU  17 -12.611  -5.254   1.968
  119    H    GLY  18           H        GLY  18 -13.723  -1.190   1.109
  120    HA2  GLY  18           2HA      GLY  18 -15.565   0.042   1.699
  121    HA3  GLY  18           1HA      GLY  18 -15.620  -0.881   3.193
  122    H    SER  19           H        SER  19 -14.609  -0.098   5.028
  123    HA   SER  19           HA       SER  19 -13.712   2.696   4.837
  124    HB2  SER  19           2HB      SER  19 -14.211   2.651   7.355
  125    HB3  SER  19           1HB      SER  19 -15.597   2.602   6.264
  126    HG   SER  19           HG       SER  19 -14.584   0.655   7.978
  127    H    ASN  20           H        ASN  20 -12.520  -0.376   5.113
  128    HA   ASN  20           HA       ASN  20 -10.537  -0.088   7.095
  129    HB2  ASN  20           2HB      ASN  20 -10.785  -1.869   4.695
  130    HB3  ASN  20           1HB      ASN  20  -9.335  -1.886   5.690
  131   HD21  ASN  20          1HD2      ASN  20 -12.794  -2.429   5.681
  132   HD22  ASN  20          2HD2      ASN  20 -12.813  -3.434   7.084
  133    H    VAL  21           H        VAL  21  -9.001   1.313   7.146
  134    HA   VAL  21           HA       VAL  21  -7.982   2.529   4.691
  135    HB   VAL  21           HB       VAL  21  -7.057   3.092   7.517
  136   HG11  VAL  21          1HG1      VAL  21  -6.451   5.287   6.566
  137   HG12  VAL  21          2HG1      VAL  21  -6.949   4.712   4.974
  138   HG13  VAL  21          3HG1      VAL  21  -5.594   3.948   5.805
  139   HG21  VAL  21          3HG2      VAL  21  -8.655   4.977   7.532
  140   HG22  VAL  21          1HG2      VAL  21  -9.445   3.400   7.514
  141   HG23  VAL  21          2HG2      VAL  21  -9.357   4.359   6.038
  142    H    CYS  22           H        CYS  22  -6.565   1.220   3.680
  143    HA   CYS  22           HA       CYS  22  -4.810  -0.522   5.126
  144    HB2  CYS  22           2HB      CYS  22  -5.710  -0.312   2.446
  145    HB3  CYS  22           1HB      CYS  22  -3.957  -0.165   2.412
  146    HG   CYS  22           HG       CYS  22  -5.790  -2.782   3.596
  147    H    GLY  23           H        GLY  23  -2.526  -0.421   5.153
  148    HA2  GLY  23           2HA      GLY  23  -1.341   2.187   4.538
  149    HA3  GLY  23           1HA      GLY  23  -1.203   1.561   6.178
  150    H    GLN  24           H        GLN  24   1.107   1.469   5.992
  151    HA   GLN  24           HA       GLN  24   2.170  -0.224   3.884
  152    HB2  GLN  24           2HB      GLN  24   3.271   1.920   4.842
  153    HB3  GLN  24           1HB      GLN  24   3.779   0.882   6.169
  154    HG2  GLN  24           2HG      GLN  24   4.937  -0.570   4.601
  155    HG3  GLN  24           1HG      GLN  24   4.407   0.447   3.263
  156   HE21  GLN  24          1HE2      GLN  24   7.082  -0.233   4.098
  157   HE22  GLN  24          2HE2      GLN  24   7.878   1.272   4.427
  158    H    GLY  25           H        GLY  25   3.355  -2.186   4.325
  159    HA2  GLY  25           2HA      GLY  25   3.525  -4.218   5.466
  160    HA3  GLY  25           1HA      GLY  25   2.595  -3.537   6.801
  161    H    ASN  26           H        ASN  26   0.983  -2.556   4.245
  162    HA   ASN  26           HA       ASN  26  -0.472  -5.039   3.684
  163    HB2  ASN  26           2HB      ASN  26  -1.736  -2.351   4.304
  164    HB3  ASN  26           1HB      ASN  26  -2.604  -3.780   3.757
  165   HD21  ASN  26          1HD2      ASN  26  -0.921  -2.284   6.399
  166   HD22  ASN  26          2HD2      ASN  26  -1.464  -3.367   7.629
  167    H    LYS  27           H        LYS  27  -1.566  -4.985   1.626
  168    HA   LYS  27           HA       LYS  27  -0.940  -2.714  -0.097
  169    HB2  LYS  27           2HB      LYS  27   0.892  -4.289  -0.471
  170    HB3  LYS  27           1HB      LYS  27  -0.261  -5.576  -0.801
  171    HG2  LYS  27           2HG      LYS  27  -0.891  -4.660  -2.843
  172    HG3  LYS  27           1HG      LYS  27  -0.255  -3.067  -2.431
  173    HD2  LYS  27           2HD      LYS  27   1.195  -4.128  -4.045
  174    HD3  LYS  27           1HD      LYS  27   2.028  -3.990  -2.495
  175    HE2  LYS  27           2HE      LYS  27   2.457  -6.160  -3.468
  176    HE3  LYS  27           1HE      LYS  27   1.465  -6.346  -2.022
  177    HZ1  LYS  27           3HZ      LYS  27   0.696  -7.740  -3.864
  178    HZ2  LYS  27           1HZ      LYS  27   0.439  -6.359  -4.815
  179    HZ3  LYS  27           2HZ      LYS  27  -0.475  -6.611  -3.413
  180    H    CYS  28           H        CYS  28  -2.725  -2.133  -1.148
  181    HA   CYS  28           HA       CYS  28  -5.004  -3.931  -1.140
  182    HB2  CYS  28           2HB      CYS  28  -5.493  -1.705  -0.429
  183    HB3  CYS  28           1HB      CYS  28  -4.676  -1.013  -1.821
  184    HG   CYS  28           HG       CYS  28  -7.475  -0.677  -1.986
  185    H    ILE  29           H        ILE  29  -5.933  -4.789  -2.915
  186    HA   ILE  29           HA       ILE  29  -4.906  -4.000  -5.546
  187    HB   ILE  29           HB       ILE  29  -5.233  -6.476  -6.196
  188   HG12  ILE  29          2HG1      ILE  29  -4.757  -6.775  -3.228
  189   HG13  ILE  29          1HG1      ILE  29  -6.279  -7.124  -4.040
  190   HG21  ILE  29          1HG2      ILE  29  -3.083  -5.341  -6.208
  191   HG22  ILE  29          2HG2      ILE  29  -2.912  -6.992  -5.610
  192   HG23  ILE  29          3HG2      ILE  29  -2.902  -5.638  -4.478
  193   HD11  ILE  29          3HD1      ILE  29  -5.198  -8.891  -5.318
  194   HD12  ILE  29          1HD1      ILE  29  -5.020  -9.154  -3.584
  195   HD13  ILE  29          2HD1      ILE  29  -3.664  -8.532  -4.526
  196    H    LEU  30           H        LEU  30  -6.474  -3.466  -6.874
  197    HA   LEU  30           HA       LEU  30  -9.195  -3.741  -5.997
  198    HB2  LEU  30           2HB      LEU  30  -7.905  -2.341  -8.329
  199    HB3  LEU  30           1HB      LEU  30  -9.646  -2.450  -8.162
  200    HG   LEU  30           HG       LEU  30  -9.388  -1.320  -5.912
  201   HD11  LEU  30          1HD1      LEU  30  -6.626  -0.757  -6.958
  202   HD12  LEU  30          2HD1      LEU  30  -7.032  -1.743  -5.552
  203   HD13  LEU  30          3HD1      LEU  30  -7.372  -0.012  -5.542
  204   HD21  LEU  30          3HD2      LEU  30  -9.226   0.901  -6.883
  205   HD22  LEU  30          1HD2      LEU  30 -10.186  -0.164  -7.909
  206   HD23  LEU  30          2HD2      LEU  30  -8.523   0.222  -8.351
  207    H    GLY  31           H        GLY  31  -9.862  -5.803  -6.206
  208    HA2  GLY  31           2HA      GLY  31 -11.259  -7.153  -7.531
  209    HA3  GLY  31           1HA      GLY  31 -10.331  -6.669  -8.918
  210    H    ARG  32           H        ARG  32 -10.940  -9.068  -6.791
  211    HA   ARG  32           HA       ARG  32  -9.203 -10.852  -8.098
  212    HB2  ARG  32           2HB      ARG  32  -7.853 -11.552  -6.125
  213    HB3  ARG  32           1HB      ARG  32  -7.451  -9.952  -6.712
  214    HG2  ARG  32           2HG      ARG  32  -7.507  -9.435  -4.525
  215    HG3  ARG  32           1HG      ARG  32  -9.244  -9.310  -4.804
  216    HD2  ARG  32           2HD      ARG  32  -8.804 -10.628  -2.814
  217    HD3  ARG  32           1HD      ARG  32  -9.517 -11.638  -4.071
  218    HE   ARG  32           HE       ARG  32  -6.619 -11.658  -3.958
  219   HH11  ARG  32          1HH1      ARG  32  -9.601 -13.182  -2.904
  220   HH12  ARG  32          2HH1      ARG  32  -8.835 -14.705  -2.555
  221   HH21  ARG  32          1HH2      ARG  32  -5.625 -13.634  -3.478
  222   HH22  ARG  32          2HH2      ARG  32  -6.567 -14.949  -2.848
  223    H    GLY  33           H        GLY  33 -10.502 -12.531  -8.300
  224    HA2  GLY  33           2HA      GLY  33 -12.114 -14.099  -7.853
  225    HA3  GLY  33           1HA      GLY  33 -11.658 -13.942  -6.163
  226    H    ASP  34           H        ASP  34 -13.200 -13.291  -4.852
  227    HA   ASP  34           HA       ASP  34 -15.555 -11.953  -5.974
  228    HB2  ASP  34           2HB      ASP  34 -15.155 -13.218  -3.251
  229    HB3  ASP  34           1HB      ASP  34 -16.670 -12.577  -3.878
  230    H    SER  35           H        SER  35 -13.465 -10.302  -5.922
  231    HA   SER  35           HA       SER  35 -14.217  -8.362  -3.883
  232    HB2  SER  35           2HB      SER  35 -12.217  -9.753  -3.061
  233    HB3  SER  35           1HB      SER  35 -11.303  -8.979  -4.368
  234    HG   SER  35           HG       SER  35 -11.852  -8.016  -1.953
  235    H    LYS  36           H        LYS  36 -13.615  -6.228  -4.432
  236    HA   LYS  36           HA       LYS  36 -12.418  -5.874  -7.084
  237    HB2  LYS  36           2HB      LYS  36 -13.934  -3.846  -7.318
  238    HB3  LYS  36           1HB      LYS  36 -14.684  -5.423  -7.496
  239    HG2  LYS  36           2HG      LYS  36 -16.211  -4.263  -6.206
  240    HG3  LYS  36           1HG      LYS  36 -15.294  -5.163  -4.999
  241    HD2  LYS  36           2HD      LYS  36 -14.014  -3.219  -4.427
  242    HD3  LYS  36           1HD      LYS  36 -14.705  -2.309  -5.773
  243    HE2  LYS  36           2HE      LYS  36 -16.938  -2.548  -4.713
  244    HE3  LYS  36           1HE      LYS  36 -16.160  -3.319  -3.332
  245    HZ1  LYS  36           3HZ      LYS  36 -15.005  -1.331  -2.820
  246    HZ2  LYS  36           1HZ      LYS  36 -16.622  -0.892  -3.081
  247    HZ3  LYS  36           2HZ      LYS  36 -15.455  -0.597  -4.281
  248    H    ASN  37           H        ASN  37 -12.223  -5.267  -3.835
  249    HA   ASN  37           HA       ASN  37 -10.106  -3.315  -4.171
  250    HB2  ASN  37           2HB      ASN  37 -12.562  -2.235  -3.859
  251    HB3  ASN  37           1HB      ASN  37 -12.171  -2.520  -2.169
  252   HD21  ASN  37          1HD2      ASN  37  -9.296  -2.073  -2.610
  253   HD22  ASN  37          2HD2      ASN  37  -9.125  -0.369  -2.796
  254    H    GLN  38           H        GLN  38  -8.829  -5.094  -3.279
  255    HA   GLN  38           HA       GLN  38  -9.740  -6.019  -0.625
  256    HB2  GLN  38           2HB      GLN  38  -9.787  -7.644  -2.580
  257    HB3  GLN  38           1HB      GLN  38  -8.034  -7.597  -2.539
  258    HG2  GLN  38           2HG      GLN  38  -8.932  -9.542  -1.371
  259    HG3  GLN  38           1HG      GLN  38  -8.033  -8.485  -0.287
  260   HE21  GLN  38          1HE2      GLN  38  -9.038  -7.640   1.442
  261   HE22  GLN  38          2HE2      GLN  38 -10.712  -7.859   1.829
  262    H    CYS  39           H        CYS  39  -8.342  -6.185   1.031
  263    HA   CYS  39           HA       CYS  39  -5.716  -4.976   0.722
  264    HB2  CYS  39           2HB      CYS  39  -7.391  -5.609   3.139
  265    HB3  CYS  39           1HB      CYS  39  -5.738  -5.035   3.247
  266    HG   CYS  39           HG       CYS  39  -7.306  -2.975   1.296
  267    H    VAL  40           H        VAL  40  -4.207  -6.448   0.132
  268    HA   VAL  40           HA       VAL  40  -4.096  -8.981   1.609
  269    HB   VAL  40           HB       VAL  40  -3.967  -8.771  -0.972
  270   HG11  VAL  40          1HG1      VAL  40  -2.297  -7.044  -1.125
  271   HG12  VAL  40          2HG1      VAL  40  -1.685  -8.527  -1.861
  272   HG13  VAL  40          3HG1      VAL  40  -1.135  -8.045  -0.256
  273   HG21  VAL  40          3HG2      VAL  40  -1.931 -10.410   0.536
  274   HG22  VAL  40          1HG2      VAL  40  -2.488 -10.721  -1.109
  275   HG23  VAL  40          2HG2      VAL  40  -3.613 -10.854   0.243
  276    H    THR  41           H        THR  41  -1.869  -9.650   2.339
  277    HA   THR  41           HA       THR  41  -0.624  -7.366   3.627
  278    HB   THR  41           HB       THR  41   0.739  -9.236   4.778
  279    HG1  THR  41           HG1      THR  41  -1.437 -10.913   4.202
  280   HG21  THR  41          3HG2      THR  41  -1.022  -7.947   5.890
  281   HG22  THR  41          1HG2      THR  41  -1.062  -9.636   6.393
  282   HG23  THR  41          2HG2      THR  41  -2.242  -9.034   5.231
  283    H    GLY  42           H        GLY  42   1.210  -6.523   3.119
  284    HA2  GLY  42           2HA      GLY  42   3.501  -7.661   2.135
  285    HA3  GLY  42           1HA      GLY  42   2.545  -7.266   0.710
  286    H    GLU  43           H        GLU  43   3.835  -5.621  -0.047
  287    HA   GLU  43           HA       GLU  43   3.854  -3.209   1.631
  288    HB2  GLU  43           2HB      GLU  43   6.088  -4.395   0.017
  289    HB3  GLU  43           1HB      GLU  43   6.041  -2.671   0.363
  290    HG2  GLU  43           2HG      GLU  43   5.901  -4.773   2.499
  291    HG3  GLU  43           1HG      GLU  43   7.411  -4.082   1.921
  292    H    GLY  44           H        GLY  44   2.368  -1.967   0.703
  293    HA2  GLY  44           2HA      GLY  44   2.042  -1.976  -2.173
  294    HA3  GLY  44           1HA      GLY  44   1.040  -1.127  -1.009
  295    H    THR  45           H        THR  45   1.105   0.736  -2.213
  296    HA   THR  45           HA       THR  45   3.557   2.304  -1.907
  297    HB   THR  45           HB       THR  45   2.245   3.096  -4.334
  298    HG1  THR  45           HG1      THR  45   2.057   0.494  -3.980
  299   HG21  THR  45          3HG2      THR  45   4.949   1.858  -3.818
  300   HG22  THR  45          1HG2      THR  45   4.569   3.581  -3.781
  301   HG23  THR  45          2HG2      THR  45   4.469   2.687  -5.299
  302    HA   PRO  46           HA       PRO  46   0.768   5.333  -0.244
  303    HB2  PRO  46           2HB      PRO  46   2.562   7.274  -1.618
  304    HB3  PRO  46           1HB      PRO  46   2.052   7.226   0.073
  305    HG2  PRO  46           2HG      PRO  46   4.509   6.488  -0.624
  306    HG3  PRO  46           1HG      PRO  46   3.619   5.608   0.632
  307    HD2  PRO  46           2HD      PRO  46   4.134   4.851  -2.214
  308    HD3  PRO  46           1HD      PRO  46   4.088   3.827  -0.764
  309    H    LYS  47           H        LYS  47  -0.992   6.496  -0.986
  310    HA   LYS  47           HA       LYS  47  -1.499   6.204  -3.821
  311    HB2  LYS  47           2HB      LYS  47  -3.124   5.658  -1.857
  312    HB3  LYS  47           1HB      LYS  47  -3.433   7.389  -1.849
  313    HG2  LYS  47           2HG      LYS  47  -3.804   7.020  -4.408
  314    HG3  LYS  47           1HG      LYS  47  -4.085   5.354  -3.908
  315    HD2  LYS  47           2HD      LYS  47  -6.183   5.963  -3.470
  316    HD3  LYS  47           1HD      LYS  47  -5.535   6.854  -2.091
  317    HE2  LYS  47           2HE      LYS  47  -5.802   7.985  -4.864
  318    HE3  LYS  47           1HE      LYS  47  -7.002   8.204  -3.593
  319    HZ1  LYS  47           3HZ      LYS  47  -4.196   9.189  -3.597
  320    HZ2  LYS  47           1HZ      LYS  47  -5.225   9.266  -2.254
  321    HZ3  LYS  47           2HZ      LYS  47  -5.611  10.115  -3.661
  322    HA   PRO  48           HA       PRO  48   0.198  10.136  -4.831
  323    HB2  PRO  48           2HB      PRO  48  -1.641  10.465  -6.978
  324    HB3  PRO  48           1HB      PRO  48   0.031   9.912  -7.055
  325    HG2  PRO  48           2HG      PRO  48  -2.481   8.349  -7.039
  326    HG3  PRO  48           1HG      PRO  48  -0.903   7.938  -7.732
  327    HD2  PRO  48           2HD      PRO  48  -1.818   6.759  -5.498
  328    HD3  PRO  48           1HD      PRO  48  -0.092   7.126  -5.716
  329    H    GLN  49           H        GLN  49  -0.204  12.216  -4.756
  330    HA   GLN  49           HA       GLN  49  -2.841  13.062  -3.769
  331    HB2  GLN  49           2HB      GLN  49  -1.413  14.636  -2.282
  332    HB3  GLN  49           1HB      GLN  49  -1.617  12.956  -1.811
  333    HG2  GLN  49           2HG      GLN  49   0.546  12.415  -2.793
  334    HG3  GLN  49           1HG      GLN  49   0.771  14.103  -3.230
  335   HE21  GLN  49          1HE2      GLN  49   0.770  11.773  -0.680
  336   HE22  GLN  49          2HE2      GLN  49   1.444  12.792   0.540
  337    H    SER  50           H        SER  50   0.008  13.711  -5.588
  338    HA   SER  50           HA       SER  50  -0.829  16.407  -6.313
  339    HB2  SER  50           2HB      SER  50   1.202  16.435  -7.694
  340    HB3  SER  50           1HB      SER  50   1.589  15.878  -6.067
  341    HG   SER  50           HG       SER  50   1.579  13.741  -6.850
  342    H    HIS  51           H        HIS  51  -0.753  13.154  -7.594
  343    HA   HIS  51           HA       HIS  51  -1.766  13.973 -10.180
  344    HB2  HIS  51           2HB      HIS  51  -1.509  11.198  -9.059
  345    HB3  HIS  51           1HB      HIS  51  -1.722  11.623 -10.754
  346    HD1  HIS  51           HD1      HIS  51   0.406  13.394 -11.554
  347    HD2  HIS  51           HD2      HIS  51   1.048  10.567  -8.572
  348    HE1  HIS  51           HE1      HIS  51   2.896  13.072 -11.448
  349    HE2  HIS  51           HE2      HIS  51   3.221  11.168  -9.825
  Start of MODEL    9
    1    H1   VAL   1           1H       VAL   1  -6.410  16.943   6.951
    2    H2   VAL   1           2H       VAL   1  -7.616  15.795   6.650
    3    H3   VAL   1           3H       VAL   1  -7.182  16.896   5.438
    4    HA   VAL   1           HA       VAL   1  -5.019  15.911   5.252
    5    HB   VAL   1           HB       VAL   1  -5.955  13.904   7.277
    6   HG11  VAL   1          1HG1      VAL   1  -4.454  12.969   5.619
    7   HG12  VAL   1          2HG1      VAL   1  -3.637  13.091   7.177
    8   HG13  VAL   1          3HG1      VAL   1  -3.298  14.269   5.909
    9   HG21  VAL   1          3HG2      VAL   1  -4.283  14.842   8.786
   10   HG22  VAL   1          1HG2      VAL   1  -5.506  16.040   8.360
   11   HG23  VAL   1          2HG2      VAL   1  -3.915  16.094   7.599
   12    H    VAL   2           H        VAL   2  -5.010  14.788   3.380
   13    HA   VAL   2           HA       VAL   2  -7.661  13.924   2.561
   14    HB   VAL   2           HB       VAL   2  -5.224  14.205   0.804
   15   HG11  VAL   2          1HG1      VAL   2  -7.064  12.942  -0.172
   16   HG12  VAL   2          2HG1      VAL   2  -6.880  14.499  -0.981
   17   HG13  VAL   2          3HG1      VAL   2  -8.180  14.259   0.188
   18   HG21  VAL   2          3HG2      VAL   2  -5.989  16.455   0.274
   19   HG22  VAL   2          1HG2      VAL   2  -5.630  16.309   1.993
   20   HG23  VAL   2          2HG2      VAL   2  -7.305  16.300   1.438
   21    H    TYR   3           H        TYR   3  -7.564  11.862   3.774
   22    HA   TYR   3           HA       TYR   3  -6.185   9.780   2.266
   23    HB2  TYR   3           2HB      TYR   3  -8.263   9.467   4.440
   24    HB3  TYR   3           1HB      TYR   3  -7.371   8.171   3.680
   25    HD1  TYR   3           HD2      TYR   3  -6.953  11.167   5.852
   26    HD2  TYR   3           HD1      TYR   3  -5.316   7.469   4.521
   27    HE1  TYR   3           HE2      TYR   3  -5.218  11.314   7.587
   28    HE2  TYR   3           HE1      TYR   3  -3.581   7.607   6.258
   29    HH   TYR   3           HH       TYR   3  -2.460   9.348   7.609
   30    H    THR   4           H        THR   4  -7.342   8.250   1.058
   31    HA   THR   4           HA       THR   4 -10.099   8.806   0.369
   32    HB   THR   4           HB       THR   4  -9.195   8.677  -2.158
   33    HG1  THR   4           HG1      THR   4  -7.310  10.499  -1.340
   34   HG21  THR   4          3HG2      THR   4  -9.484  11.091  -2.308
   35   HG22  THR   4          1HG2      THR   4  -9.316  11.237  -0.557
   36   HG23  THR   4          2HG2      THR   4 -10.705  10.395  -1.243
   37    H    ASP   5           H        ASP   5 -10.436   7.268  -1.787
   38    HA   ASP   5           HA       ASP   5  -9.866   4.619  -0.744
   39    HB2  ASP   5           2HB      ASP   5 -11.450   5.524  -3.180
   40    HB3  ASP   5           1HB      ASP   5 -11.332   3.862  -2.614
   41    H    CYS   6           H        CYS   6  -8.779   3.009  -2.008
   42    HA   CYS   6           HA       CYS   6  -6.440   3.970  -3.237
   43    HB2  CYS   6           2HB      CYS   6  -7.555   1.208  -3.633
   44    HB3  CYS   6           1HB      CYS   6  -5.871   1.718  -3.667
   45    HG   CYS   6           HG       CYS   6  -6.345   2.567  -0.795
   46    H    THR   7           H        THR   7  -5.988   4.498  -5.238
   47    HA   THR   7           HA       THR   7  -8.133   4.393  -7.216
   48    HB   THR   7           HB       THR   7  -5.489   5.826  -7.473
   49    HG1  THR   7           HG1      THR   7  -7.444   7.513  -6.780
   50   HG21  THR   7          3HG2      THR   7  -6.738   7.299  -8.980
   51   HG22  THR   7          1HG2      THR   7  -8.206   6.362  -8.697
   52   HG23  THR   7          2HG2      THR   7  -6.833   5.624  -9.524
   53    H    GLU   8           H        GLU   8  -5.309   2.789  -6.347
   54    HA   GLU   8           HA       GLU   8  -4.938   1.640  -9.010
   55    HB2  GLU   8           2HB      GLU   8  -2.872   3.020  -7.314
   56    HB3  GLU   8           1HB      GLU   8  -2.421   1.891  -8.571
   57    HG2  GLU   8           2HG      GLU   8  -3.347   3.286 -10.262
   58    HG3  GLU   8           1HG      GLU   8  -4.119   4.320  -9.060
   59    H    SER   9           H        SER   9  -3.929  -0.395  -9.010
   60    HA   SER   9           HA       SER   9  -4.297  -1.872  -6.536
   61    HB2  SER   9           2HB      SER   9  -3.495  -2.862  -9.295
   62    HB3  SER   9           1HB      SER   9  -3.966  -3.865  -7.919
   63    HG   SER   9           HG       SER   9  -5.529  -2.693  -9.740
   64    H    GLY  10           H        GLY  10  -2.660  -2.403  -5.232
   65    HA2  GLY  10           2HA      GLY  10  -0.330  -3.077  -4.956
   66    HA3  GLY  10           1HA      GLY  10   0.090  -1.945  -6.234
   67    H    GLN  11           H        GLN  11  -2.188  -0.373  -4.661
   68    HA   GLN  11           HA       GLN  11  -0.286   1.194  -3.104
   69    HB2  GLN  11           2HB      GLN  11  -2.777   1.690  -4.491
   70    HB3  GLN  11           1HB      GLN  11  -2.856   2.294  -2.836
   71    HG2  GLN  11           2HG      GLN  11  -1.779   4.075  -3.524
   72    HG3  GLN  11           1HG      GLN  11  -0.360   3.071  -3.755
   73   HE21  GLN  11          1HE2      GLN  11  -2.935   4.788  -5.232
   74   HE22  GLN  11          2HE2      GLN  11  -2.365   4.664  -6.866
   75    H    ASN  12           H        ASN  12  -0.927   1.915  -0.863
   76    HA   ASN  12           HA       ASN  12  -2.679  -0.038   0.438
   77    HB2  ASN  12           2HB      ASN  12  -1.061   0.069   2.436
   78    HB3  ASN  12           1HB      ASN  12  -0.707  -0.990   1.086
   79   HD21  ASN  12          1HD2      ASN  12   1.445  -1.039   1.692
   80   HD22  ASN  12          2HD2      ASN  12   2.519   0.277   1.367
   81    H    LEU  13           H        LEU  13  -0.860   2.909   1.208
   82    HA   LEU  13           HA       LEU  13  -2.333   3.667   3.451
   83    HB2  LEU  13           2HB      LEU  13  -0.612   5.232   1.557
   84    HB3  LEU  13           1HB      LEU  13  -1.350   5.974   2.962
   85    HG   LEU  13           HG       LEU  13   0.493   3.592   3.116
   86   HD11  LEU  13          1HD1      LEU  13   1.114   6.517   3.510
   87   HD12  LEU  13          2HD1      LEU  13   1.694   5.500   2.191
   88   HD13  LEU  13          3HD1      LEU  13   2.209   5.176   3.846
   89   HD21  LEU  13          3HD2      LEU  13   0.627   4.195   5.479
   90   HD22  LEU  13          1HD2      LEU  13  -1.040   3.867   5.009
   91   HD23  LEU  13          2HD2      LEU  13  -0.493   5.530   5.209
   92    H    CYS  14           H        CYS  14  -4.415   3.104   2.216
   93    HA   CYS  14           HA       CYS  14  -5.878   5.591   1.941
   94    HB2  CYS  14           2HB      CYS  14  -6.906   4.272  -0.233
   95    HB3  CYS  14           1HB      CYS  14  -5.735   5.583  -0.322
   96    HG   CYS  14           HG       CYS  14  -4.267   2.638   0.117
   97    H    LEU  15           H        LEU  15  -8.317   5.016   1.600
   98    HA   LEU  15           HA       LEU  15  -8.937   2.846   3.435
   99    HB2  LEU  15           2HB      LEU  15 -11.337   3.889   2.382
  100    HB3  LEU  15           1HB      LEU  15 -10.671   4.122   3.981
  101    HG   LEU  15           HG       LEU  15  -9.904   5.907   1.683
  102   HD11  LEU  15          1HD1      LEU  15 -11.623   7.465   2.451
  103   HD12  LEU  15          2HD1      LEU  15 -12.207   6.263   3.603
  104   HD13  LEU  15          3HD1      LEU  15 -12.336   5.960   1.869
  105   HD21  LEU  15          3HD2      LEU  15  -9.930   6.324   4.670
  106   HD22  LEU  15          1HD2      LEU  15  -9.365   7.473   3.458
  107   HD23  LEU  15          2HD2      LEU  15  -8.502   5.954   3.702
  108    H    CYS  16           H        CYS  16  -8.216   1.173   2.078
  109    HA   CYS  16           HA       CYS  16  -9.160   0.597  -0.487
  110    HB2  CYS  16           2HB      CYS  16  -7.222  -0.523   0.352
  111    HB3  CYS  16           1HB      CYS  16  -8.109  -1.161   1.724
  112    HG   CYS  16           HG       CYS  16  -8.322  -3.431   0.586
  113    H    GLU  17           H        GLU  17 -10.017  -1.206   2.428
  114    HA   GLU  17           HA       GLU  17 -12.610  -1.888   1.241
  115    HB2  GLU  17           2HB      GLU  17 -10.834  -3.419   2.570
  116    HB3  GLU  17           1HB      GLU  17 -11.815  -2.857   3.914
  117    HG2  GLU  17           2HG      GLU  17 -13.063  -4.117   1.501
  118    HG3  GLU  17           1HG      GLU  17 -12.420  -5.088   2.823
  119    H    GLY  18           H        GLY  18 -14.476  -1.171   2.081
  120    HA2  GLY  18           2HA      GLY  18 -15.816   0.468   3.081
  121    HA3  GLY  18           1HA      GLY  18 -15.418  -0.543   4.455
  122    H    SER  19           H        SER  19 -14.139   0.234   6.046
  123    HA   SER  19           HA       SER  19 -13.174   3.000   5.769
  124    HB2  SER  19           2HB      SER  19 -13.458   2.862   8.377
  125    HB3  SER  19           1HB      SER  19 -14.861   3.185   7.352
  126    HG   SER  19           HG       SER  19 -15.052   1.470   9.023
  127    H    ASN  20           H        ASN  20 -11.893   0.242   5.431
  128    HA   ASN  20           HA       ASN  20  -9.936   0.141   7.578
  129    HB2  ASN  20           2HB      ASN  20 -10.232  -1.513   5.057
  130    HB3  ASN  20           1HB      ASN  20  -9.024  -1.798   6.298
  131   HD21  ASN  20          1HD2      ASN  20 -12.269  -0.827   7.112
  132   HD22  ASN  20          2HD2      ASN  20 -12.780  -2.356   7.744
  133    H    VAL  21           H        VAL  21  -8.486   1.768   7.452
  134    HA   VAL  21           HA       VAL  21  -7.436   2.569   4.861
  135    HB   VAL  21           HB       VAL  21  -6.618   3.597   7.591
  136   HG11  VAL  21          1HG1      VAL  21  -5.785   5.528   6.357
  137   HG12  VAL  21          2HG1      VAL  21  -6.266   4.772   4.839
  138   HG13  VAL  21          3HG1      VAL  21  -4.999   4.043   5.825
  139   HG21  VAL  21          3HG2      VAL  21  -8.990   3.970   7.275
  140   HG22  VAL  21          1HG2      VAL  21  -8.691   4.668   5.684
  141   HG23  VAL  21          2HG2      VAL  21  -8.113   5.494   7.131
  142    H    CYS  22           H        CYS  22  -6.052   1.169   4.049
  143    HA   CYS  22           HA       CYS  22  -4.444  -0.539   5.674
  144    HB2  CYS  22           2HB      CYS  22  -5.271  -0.419   2.923
  145    HB3  CYS  22           1HB      CYS  22  -3.524  -0.618   3.001
  146    HG   CYS  22           HG       CYS  22  -4.894  -3.101   2.708
  147    H    GLY  23           H        GLY  23  -2.147  -0.660   5.663
  148    HA2  GLY  23           2HA      GLY  23  -0.757   1.802   4.867
  149    HA3  GLY  23           1HA      GLY  23  -0.631   1.235   6.525
  150    H    GLN  24           H        GLN  24   1.376   0.459   6.763
  151    HA   GLN  24           HA       GLN  24   2.732  -0.646   4.451
  152    HB2  GLN  24           2HB      GLN  24   3.822  -0.136   7.232
  153    HB3  GLN  24           1HB      GLN  24   4.766  -0.518   5.802
  154    HG2  GLN  24           2HG      GLN  24   5.061   1.752   5.957
  155    HG3  GLN  24           1HG      GLN  24   3.699   1.654   4.844
  156   HE21  GLN  24          1HE2      GLN  24   4.722   2.478   8.061
  157   HE22  GLN  24          2HE2      GLN  24   3.279   3.320   8.517
  158    H    GLY  25           H        GLY  25   3.080  -2.716   4.109
  159    HA2  GLY  25           2HA      GLY  25   3.605  -4.943   4.923
  160    HA3  GLY  25           1HA      GLY  25   2.591  -4.611   6.324
  161    H    ASN  26           H        ASN  26   0.809  -3.204   4.234
  162    HA   ASN  26           HA       ASN  26  -0.436  -5.647   3.168
  163    HB2  ASN  26           2HB      ASN  26  -1.750  -3.121   4.173
  164    HB3  ASN  26           1HB      ASN  26  -2.595  -4.368   3.260
  165   HD21  ASN  26          1HD2      ASN  26  -1.240  -3.482   6.317
  166   HD22  ASN  26          2HD2      ASN  26  -1.826  -4.852   7.201
  167    H    LYS  27           H        LYS  27  -1.659  -5.323   1.189
  168    HA   LYS  27           HA       LYS  27  -0.987  -2.951  -0.348
  169    HB2  LYS  27           2HB      LYS  27   0.853  -4.457  -0.858
  170    HB3  LYS  27           1HB      LYS  27  -0.272  -5.753  -1.235
  171    HG2  LYS  27           2HG      LYS  27  -0.921  -4.786  -3.237
  172    HG3  LYS  27           1HG      LYS  27  -0.369  -3.181  -2.755
  173    HD2  LYS  27           2HD      LYS  27   1.134  -4.103  -4.416
  174    HD3  LYS  27           1HD      LYS  27   1.960  -3.971  -2.860
  175    HE2  LYS  27           2HE      LYS  27   2.509  -6.080  -3.911
  176    HE3  LYS  27           1HE      LYS  27   1.541  -6.368  -2.467
  177    HZ1  LYS  27           3HZ      LYS  27  -0.395  -6.681  -3.863
  178    HZ2  LYS  27           1HZ      LYS  27   0.836  -7.747  -4.327
  179    HZ3  LYS  27           2HZ      LYS  27   0.511  -6.364  -5.257
  180    H    CYS  28           H        CYS  28  -2.752  -2.289  -1.371
  181    HA   CYS  28           HA       CYS  28  -5.064  -4.042  -1.435
  182    HB2  CYS  28           2HB      CYS  28  -5.474  -1.844  -0.584
  183    HB3  CYS  28           1HB      CYS  28  -4.690  -1.096  -1.973
  184    HG   CYS  28           HG       CYS  28  -7.710  -2.676  -1.899
  185    H    ILE  29           H        ILE  29  -6.103  -4.707  -3.267
  186    HA   ILE  29           HA       ILE  29  -5.018  -3.851  -5.849
  187    HB   ILE  29           HB       ILE  29  -5.458  -6.266  -6.629
  188   HG12  ILE  29          2HG1      ILE  29  -5.053  -6.749  -3.672
  189   HG13  ILE  29          1HG1      ILE  29  -6.573  -6.981  -4.533
  190   HG21  ILE  29          1HG2      ILE  29  -3.107  -5.606  -4.863
  191   HG22  ILE  29          2HG2      ILE  29  -3.252  -5.290  -6.591
  192   HG23  ILE  29          3HG2      ILE  29  -3.171  -6.950  -6.002
  193   HD11  ILE  29          3HD1      ILE  29  -4.013  -8.501  -5.005
  194   HD12  ILE  29          1HD1      ILE  29  -5.522  -8.726  -5.892
  195   HD13  ILE  29          2HD1      ILE  29  -5.449  -9.095  -4.170
  196    H    LEU  30           H        LEU  30  -6.517  -3.292  -7.241
  197    HA   LEU  30           HA       LEU  30  -9.306  -3.684  -6.474
  198    HB2  LEU  30           2HB      LEU  30  -7.983  -1.704  -8.317
  199    HB3  LEU  30           1HB      LEU  30  -9.721  -1.865  -8.176
  200    HG   LEU  30           HG       LEU  30  -9.356  -1.399  -5.665
  201   HD11  LEU  30          1HD1      LEU  30  -7.411  -0.056  -5.122
  202   HD12  LEU  30          2HD1      LEU  30  -6.784  -0.281  -6.754
  203   HD13  LEU  30          3HD1      LEU  30  -6.928  -1.662  -5.668
  204   HD21  LEU  30          3HD2      LEU  30  -9.436   1.013  -6.066
  205   HD22  LEU  30          1HD2      LEU  30 -10.466   0.131  -7.194
  206   HD23  LEU  30          2HD2      LEU  30  -8.903   0.752  -7.726
  207    H    GLY  31           H        GLY  31 -10.408  -5.188  -7.446
  208    HA2  GLY  31           2HA      GLY  31 -11.515  -6.231  -9.144
  209    HA3  GLY  31           1HA      GLY  31 -10.628  -5.228 -10.256
  210    H    ARG  32           H        ARG  32 -10.787  -8.256  -8.645
  211    HA   ARG  32           HA       ARG  32  -9.261  -9.439 -10.765
  212    HB2  ARG  32           2HB      ARG  32  -7.642  -8.646  -8.806
  213    HB3  ARG  32           1HB      ARG  32  -8.190 -10.149  -8.071
  214    HG2  ARG  32           2HG      ARG  32  -6.128 -10.503  -9.294
  215    HG3  ARG  32           1HG      ARG  32  -7.457 -11.382 -10.059
  216    HD2  ARG  32           2HD      ARG  32  -7.712  -9.479 -11.645
  217    HD3  ARG  32           1HD      ARG  32  -6.274  -8.751 -10.939
  218    HE   ARG  32           HE       ARG  32  -6.165 -11.419 -12.178
  219   HH11  ARG  32          1HH1      ARG  32  -5.047  -8.103 -11.957
  220   HH12  ARG  32          2HH1      ARG  32  -3.780  -8.325 -13.128
  221   HH21  ARG  32          1HH2      ARG  32  -4.556 -11.700 -13.760
  222   HH22  ARG  32          2HH2      ARG  32  -3.488 -10.382 -14.150
  223    H    GLY  33           H        GLY  33 -11.040 -10.656 -11.216
  224    HA2  GLY  33           2HA      GLY  33 -12.360 -12.541 -11.055
  225    HA3  GLY  33           1HA      GLY  33 -11.558 -12.935  -9.538
  226    H    ASP  34           H        ASP  34 -12.720 -12.738  -7.741
  227    HA   ASP  34           HA       ASP  34 -15.268 -11.311  -7.867
  228    HB2  ASP  34           2HB      ASP  34 -14.127 -13.141  -5.741
  229    HB3  ASP  34           1HB      ASP  34 -15.711 -12.378  -5.661
  230    H    SER  35           H        SER  35 -12.212 -10.507  -7.272
  231    HA   SER  35           HA       SER  35 -12.638  -8.894  -4.900
  232    HB2  SER  35           2HB      SER  35 -10.457 -10.127  -5.389
  233    HB3  SER  35           1HB      SER  35 -10.192  -8.940  -6.675
  234    HG   SER  35           HG       SER  35 -10.770  -8.087  -4.055
  235    H    LYS  36           H        LYS  36 -12.660  -6.690  -4.895
  236    HA   LYS  36           HA       LYS  36 -12.416  -5.303  -7.461
  237    HB2  LYS  36           2HB      LYS  36 -14.353  -3.789  -6.622
  238    HB3  LYS  36           1HB      LYS  36 -14.731  -5.334  -7.365
  239    HG2  LYS  36           2HG      LYS  36 -16.145  -5.238  -5.529
  240    HG3  LYS  36           1HG      LYS  36 -14.814  -6.250  -4.975
  241    HD2  LYS  36           2HD      LYS  36 -15.316  -4.744  -3.216
  242    HD3  LYS  36           1HD      LYS  36 -13.811  -4.187  -3.948
  243    HE2  LYS  36           2HE      LYS  36 -15.190  -2.275  -3.545
  244    HE3  LYS  36           1HE      LYS  36 -15.148  -2.556  -5.285
  245    HZ1  LYS  36           3HZ      LYS  36 -17.336  -3.520  -3.520
  246    HZ2  LYS  36           1HZ      LYS  36 -17.318  -3.493  -5.217
  247    HZ3  LYS  36           2HZ      LYS  36 -17.389  -2.039  -4.344
  248    H    ASN  37           H        ASN  37 -12.193  -5.219  -3.985
  249    HA   ASN  37           HA       ASN  37 -10.176  -3.169  -4.119
  250    HB2  ASN  37           2HB      ASN  37 -12.707  -2.220  -3.821
  251    HB3  ASN  37           1HB      ASN  37 -12.290  -2.515  -2.137
  252   HD21  ASN  37          1HD2      ASN  37  -9.449  -1.950  -2.570
  253   HD22  ASN  37          2HD2      ASN  37  -9.328  -0.242  -2.737
  254    H    GLN  38           H        GLN  38  -8.983  -5.082  -3.336
  255    HA   GLN  38           HA       GLN  38  -9.761  -5.903  -0.606
  256    HB2  GLN  38           2HB      GLN  38  -9.663  -7.473  -2.822
  257    HB3  GLN  38           1HB      GLN  38  -8.052  -7.714  -2.180
  258    HG2  GLN  38           2HG      GLN  38 -10.622  -8.184  -0.685
  259    HG3  GLN  38           1HG      GLN  38  -9.626  -9.426  -1.437
  260   HE21  GLN  38          1HE2      GLN  38  -7.675  -9.979  -0.512
  261   HE22  GLN  38          2HE2      GLN  38  -7.268  -9.555   1.115
  262    H    CYS  39           H        CYS  39  -8.209  -6.193   0.932
  263    HA   CYS  39           HA       CYS  39  -5.583  -5.031   0.414
  264    HB2  CYS  39           2HB      CYS  39  -7.094  -5.599   2.954
  265    HB3  CYS  39           1HB      CYS  39  -5.415  -5.097   2.938
  266    HG   CYS  39           HG       CYS  39  -6.596  -2.792   3.574
  267    H    VAL  40           H        VAL  40  -4.226  -6.591  -0.326
  268    HA   VAL  40           HA       VAL  40  -4.209  -9.196   0.994
  269    HB   VAL  40           HB       VAL  40  -4.072  -8.765  -1.568
  270   HG11  VAL  40          1HG1      VAL  40  -1.179  -8.384  -0.822
  271   HG12  VAL  40          2HG1      VAL  40  -2.242  -7.174  -1.541
  272   HG13  VAL  40          3HG1      VAL  40  -1.797  -8.615  -2.457
  273   HG21  VAL  40          3HG2      VAL  40  -2.222 -10.700  -0.182
  274   HG22  VAL  40          1HG2      VAL  40  -2.725 -10.810  -1.870
  275   HG23  VAL  40          2HG2      VAL  40  -3.919 -10.966  -0.580
  276    H    THR  41           H        THR  41  -2.097 -10.065   1.734
  277    HA   THR  41           HA       THR  41  -0.690  -7.985   3.194
  278    HB   THR  41           HB       THR  41   0.465  -9.939   4.297
  279    HG1  THR  41           HG1      THR  41  -0.006 -11.431   2.525
  280   HG21  THR  41          3HG2      THR  41  -1.479 -10.556   5.648
  281   HG22  THR  41          1HG2      THR  41  -2.552  -9.891   4.415
  282   HG23  THR  41          2HG2      THR  41  -1.467  -8.826   5.308
  283    H    GLY  42           H        GLY  42   1.221  -7.201   2.658
  284    HA2  GLY  42           2HA      GLY  42   3.396  -8.612   1.661
  285    HA3  GLY  42           1HA      GLY  42   2.543  -7.972   0.264
  286    H    GLU  43           H        GLU  43   3.371  -6.128  -0.442
  287    HA   GLU  43           HA       GLU  43   3.901  -3.985   1.450
  288    HB2  GLU  43           2HB      GLU  43   6.073  -3.448   0.339
  289    HB3  GLU  43           1HB      GLU  43   6.098  -4.954   1.243
  290    HG2  GLU  43           2HG      GLU  43   5.912  -6.232  -0.791
  291    HG3  GLU  43           1HG      GLU  43   5.733  -4.754  -1.738
  292    H    GLY  44           H        GLY  44   2.800  -2.302   0.749
  293    HA2  GLY  44           2HA      GLY  44   2.126  -2.195  -2.110
  294    HA3  GLY  44           1HA      GLY  44   1.208  -1.442  -0.817
  295    H    THR  45           H        THR  45   1.214   0.559  -1.746
  296    HA   THR  45           HA       THR  45   3.675   2.089  -1.467
  297    HB   THR  45           HB       THR  45   2.481   3.025  -3.857
  298    HG1  THR  45           HG1      THR  45   2.214   0.343  -3.606
  299   HG21  THR  45          3HG2      THR  45   5.040   1.474  -3.430
  300   HG22  THR  45          1HG2      THR  45   4.847   3.219  -3.256
  301   HG23  THR  45          2HG2      THR  45   4.658   2.465  -4.839
  302    HA   PRO  46           HA       PRO  46   0.821   5.185   0.106
  303    HB2  PRO  46           2HB      PRO  46   2.699   7.082  -1.215
  304    HB3  PRO  46           1HB      PRO  46   2.118   7.059   0.454
  305    HG2  PRO  46           2HG      PRO  46   4.602   6.290  -0.131
  306    HG3  PRO  46           1HG      PRO  46   3.650   5.439   1.102
  307    HD2  PRO  46           2HD      PRO  46   4.276   4.633  -1.708
  308    HD3  PRO  46           1HD      PRO  46   4.166   3.633  -0.244
  309    H    LYS  47           H        LYS  47  -0.846   6.463  -0.791
  310    HA   LYS  47           HA       LYS  47  -1.284   5.824  -3.582
  311    HB2  LYS  47           2HB      LYS  47  -2.978   5.489  -1.692
  312    HB3  LYS  47           1HB      LYS  47  -3.207   7.234  -1.750
  313    HG2  LYS  47           2HG      LYS  47  -3.573   6.791  -4.299
  314    HG3  LYS  47           1HG      LYS  47  -3.931   5.159  -3.743
  315    HD2  LYS  47           2HD      LYS  47  -6.022   6.109  -3.685
  316    HD3  LYS  47           1HD      LYS  47  -5.472   6.407  -2.037
  317    HE2  LYS  47           2HE      LYS  47  -5.234   8.386  -4.297
  318    HE3  LYS  47           1HE      LYS  47  -6.545   8.376  -3.124
  319    HZ1  LYS  47           3HZ      LYS  47  -3.662   8.807  -2.528
  320    HZ2  LYS  47           1HZ      LYS  47  -4.888   8.716  -1.359
  321    HZ3  LYS  47           2HZ      LYS  47  -4.886   9.976  -2.485
  322    HA   PRO  48           HA       PRO  48  -0.132  10.060  -4.610
  323    HB2  PRO  48           2HB      PRO  48  -0.167   9.085  -7.357
  324    HB3  PRO  48           1HB      PRO  48   1.191   9.708  -6.416
  325    HG2  PRO  48           2HG      PRO  48   0.981   7.101  -7.133
  326    HG3  PRO  48           1HG      PRO  48   1.770   7.624  -5.633
  327    HD2  PRO  48           2HD      PRO  48  -0.996   6.536  -6.037
  328    HD3  PRO  48           1HD      PRO  48   0.187   6.164  -4.763
  329    H    GLN  49           H        GLN  49  -1.215  11.704  -5.608
  330    HA   GLN  49           HA       GLN  49  -3.625  11.211  -7.135
  331    HB2  GLN  49           2HB      GLN  49  -4.630  13.077  -5.420
  332    HB3  GLN  49           1HB      GLN  49  -4.935  11.351  -5.287
  333    HG2  GLN  49           2HG      GLN  49  -3.152  11.124  -3.668
  334    HG3  GLN  49           1HG      GLN  49  -2.736  12.828  -3.853
  335   HE21  GLN  49          1HE2      GLN  49  -3.855  14.336  -2.767
  336   HE22  GLN  49          2HE2      GLN  49  -5.146  13.980  -1.663
  337    H    SER  50           H        SER  50  -2.276  13.890  -5.263
  338    HA   SER  50           HA       SER  50  -1.200  15.051  -7.699
  339    HB2  SER  50           2HB      SER  50  -3.495  16.057  -7.285
  340    HB3  SER  50           1HB      SER  50  -2.865  16.688  -5.763
  341    HG   SER  50           HG       SER  50  -2.583  17.663  -8.258
  342    H    HIS  51           H        HIS  51  -0.130  17.278  -6.731
  343    HA   HIS  51           HA       HIS  51   0.823  17.367  -4.098
  344    HB2  HIS  51           2HB      HIS  51   2.623  16.019  -6.056
  345    HB3  HIS  51           1HB      HIS  51   3.328  17.063  -4.849
  346    HD1  HIS  51           HD1      HIS  51   3.607  13.830  -5.129
  347    HD2  HIS  51           HD2      HIS  51   1.374  15.969  -2.344
  348    HE1  HIS  51           HE1      HIS  51   3.292  12.283  -3.175
  349    HE2  HIS  51           HE2      HIS  51   1.693  13.495  -1.657
  Start of MODEL   10
    1    H1   VAL   1           1H       VAL   1  -4.013  16.360   7.404
    2    H2   VAL   1           2H       VAL   1  -3.457  15.481   8.745
    3    H3   VAL   1           3H       VAL   1  -5.092  15.409   8.301
    4    HA   VAL   1           HA       VAL   1  -2.875  14.490   6.577
    5    HB   VAL   1           HB       VAL   1  -3.744  12.178   7.141
    6   HG11  VAL   1          1HG1      VAL   1  -2.370  11.984   9.148
    7   HG12  VAL   1          2HG1      VAL   1  -2.403  13.735   9.352
    8   HG13  VAL   1          3HG1      VAL   1  -1.596  13.025   7.953
    9   HG21  VAL   1          3HG2      VAL   1  -4.815  11.937   9.363
   10   HG22  VAL   1          1HG2      VAL   1  -5.834  12.780   8.197
   11   HG23  VAL   1          2HG2      VAL   1  -4.981  13.691   9.443
   12    H    VAL   2           H        VAL   2  -3.483  13.772   4.604
   13    HA   VAL   2           HA       VAL   2  -6.347  14.054   3.943
   14    HB   VAL   2           HB       VAL   2  -3.973  14.484   2.115
   15   HG11  VAL   2          1HG1      VAL   2  -6.910  14.980   1.655
   16   HG12  VAL   2          2HG1      VAL   2  -5.953  13.684   0.938
   17   HG13  VAL   2          3HG1      VAL   2  -5.607  15.365   0.531
   18   HG21  VAL   2          3HG2      VAL   2  -5.820  16.505   3.380
   19   HG22  VAL   2          1HG2      VAL   2  -4.557  16.857   2.199
   20   HG23  VAL   2          2HG2      VAL   2  -4.127  16.242   3.796
   21    H    TYR   3           H        TYR   3  -7.352  12.272   3.262
   22    HA   TYR   3           HA       TYR   3  -5.732  10.116   2.090
   23    HB2  TYR   3           2HB      TYR   3  -7.947   9.799   4.129
   24    HB3  TYR   3           1HB      TYR   3  -7.255   8.470   3.214
   25    HD1  TYR   3           HD2      TYR   3  -6.685  10.874   5.920
   26    HD2  TYR   3           HD1      TYR   3  -5.043   7.619   3.727
   27    HE1  TYR   3           HE2      TYR   3  -4.951  10.595   7.636
   28    HE2  TYR   3           HE1      TYR   3  -3.298   7.342   5.435
   29    HH   TYR   3           HH       TYR   3  -2.178   8.696   7.165
   30    H    THR   4           H        THR   4  -7.008   8.598   0.806
   31    HA   THR   4           HA       THR   4  -9.618   9.500  -0.089
   32    HB   THR   4           HB       THR   4  -8.422   8.875  -2.508
   33    HG1  THR   4           HG1      THR   4  -6.724  10.864  -1.513
   34   HG21  THR   4          3HG2      THR   4  -8.726  11.242  -3.044
   35   HG22  THR   4          1HG2      THR   4  -8.859  11.625  -1.327
   36   HG23  THR   4          2HG2      THR   4 -10.092  10.634  -2.109
   37    H    ASP   5           H        ASP   5 -10.214   7.821  -2.027
   38    HA   ASP   5           HA       ASP   5  -9.985   5.197  -0.782
   39    HB2  ASP   5           2HB      ASP   5 -11.501   6.118  -3.250
   40    HB3  ASP   5           1HB      ASP   5 -11.592   4.504  -2.559
   41    H    CYS   6           H        CYS   6  -9.079   3.374  -1.865
   42    HA   CYS   6           HA       CYS   6  -6.734   3.904  -3.313
   43    HB2  CYS   6           2HB      CYS   6  -8.218   1.283  -3.363
   44    HB3  CYS   6           1HB      CYS   6  -6.492   1.555  -3.588
   45    HG   CYS   6           HG       CYS   6  -6.649   2.742  -0.780
   46    H    THR   7           H        THR   7  -6.294   4.056  -5.420
   47    HA   THR   7           HA       THR   7  -8.577   3.879  -7.262
   48    HB   THR   7           HB       THR   7  -6.020   5.388  -7.735
   49    HG1  THR   7           HG1      THR   7  -7.865   7.129  -7.122
   50   HG21  THR   7          3HG2      THR   7  -7.445   6.693  -9.279
   51   HG22  THR   7          1HG2      THR   7  -8.800   5.628  -8.900
   52   HG23  THR   7          2HG2      THR   7  -7.375   4.988  -9.718
   53    H    GLU   8           H        GLU   8  -5.328   2.801  -6.631
   54    HA   GLU   8           HA       GLU   8  -5.360   1.270  -9.145
   55    HB2  GLU   8           2HB      GLU   8  -3.524   3.268  -8.346
   56    HB3  GLU   8           1HB      GLU   8  -2.688   1.732  -8.198
   57    HG2  GLU   8           2HG      GLU   8  -4.136   2.615 -10.675
   58    HG3  GLU   8           1HG      GLU   8  -2.413   2.856 -10.394
   59    H    SER   9           H        SER   9  -4.096  -0.688  -9.084
   60    HA   SER   9           HA       SER   9  -4.445  -2.049  -6.544
   61    HB2  SER   9           2HB      SER   9  -3.554  -3.078  -9.252
   62    HB3  SER   9           1HB      SER   9  -3.909  -4.084  -7.843
   63    HG   SER   9           HG       SER   9  -5.662  -2.575  -9.465
   64    H    GLY  10           H        GLY  10  -2.861  -2.196  -5.120
   65    HA2  GLY  10           2HA      GLY  10  -0.499  -2.884  -4.783
   66    HA3  GLY  10           1HA      GLY  10  -0.089  -1.810  -6.110
   67    H    GLN  11           H        GLN  11  -2.418  -0.172  -4.666
   68    HA   GLN  11           HA       GLN  11  -0.549   1.393  -3.064
   69    HB2  GLN  11           2HB      GLN  11  -3.144   1.882  -4.360
   70    HB3  GLN  11           1HB      GLN  11  -2.953   2.669  -2.793
   71    HG2  GLN  11           2HG      GLN  11  -1.816   4.252  -3.782
   72    HG3  GLN  11           1HG      GLN  11  -0.554   3.092  -4.168
   73   HE21  GLN  11          1HE2      GLN  11  -3.321   4.823  -5.326
   74   HE22  GLN  11          2HE2      GLN  11  -3.052   4.529  -7.006
   75    H    ASN  12           H        ASN  12  -1.187   2.133  -0.882
   76    HA   ASN  12           HA       ASN  12  -2.929   0.212   0.477
   77    HB2  ASN  12           2HB      ASN  12  -1.238   0.304   2.415
   78    HB3  ASN  12           1HB      ASN  12  -0.924  -0.753   1.052
   79   HD21  ASN  12          1HD2      ASN  12   1.243  -0.809   1.557
   80   HD22  ASN  12          2HD2      ASN  12   2.305   0.516   1.216
   81    H    LEU  13           H        LEU  13  -1.024   3.130   1.131
   82    HA   LEU  13           HA       LEU  13  -2.483   4.030   3.344
   83    HB2  LEU  13           2HB      LEU  13  -0.737   5.491   1.377
   84    HB3  LEU  13           1HB      LEU  13  -1.433   6.272   2.783
   85    HG   LEU  13           HG       LEU  13   0.356   3.851   2.967
   86   HD11  LEU  13          1HD1      LEU  13   2.149   5.382   3.573
   87   HD12  LEU  13          2HD1      LEU  13   1.094   6.761   3.268
   88   HD13  LEU  13          3HD1      LEU  13   1.576   5.709   1.937
   89   HD21  LEU  13          3HD2      LEU  13  -0.455   5.905   5.019
   90   HD22  LEU  13          1HD2      LEU  13   0.558   4.489   5.291
   91   HD23  LEU  13          2HD2      LEU  13  -1.144   4.289   4.877
   92    H    CYS  14           H        CYS  14  -4.548   3.430   2.109
   93    HA   CYS  14           HA       CYS  14  -5.970   5.897   1.615
   94    HB2  CYS  14           2HB      CYS  14  -6.989   4.591  -0.490
   95    HB3  CYS  14           1HB      CYS  14  -5.631   5.697  -0.637
   96    HG   CYS  14           HG       CYS  14  -4.630   2.613   0.066
   97    H    LEU  15           H        LEU  15  -8.357   5.486   1.568
   98    HA   LEU  15           HA       LEU  15  -9.010   3.333   3.376
   99    HB2  LEU  15           2HB      LEU  15 -11.435   4.365   2.514
  100    HB3  LEU  15           1HB      LEU  15 -10.587   4.766   3.986
  101    HG   LEU  15           HG       LEU  15  -9.991   6.297   1.478
  102   HD11  LEU  15          1HD1      LEU  15 -11.748   7.896   2.092
  103   HD12  LEU  15          2HD1      LEU  15 -12.303   6.795   3.353
  104   HD13  LEU  15          3HD1      LEU  15 -12.417   6.323   1.657
  105   HD21  LEU  15          3HD2      LEU  15  -9.972   6.985   4.416
  106   HD22  LEU  15          1HD2      LEU  15  -9.532   8.075   3.102
  107   HD23  LEU  15          2HD2      LEU  15  -8.561   6.637   3.414
  108    H    CYS  16           H        CYS  16  -8.480   1.557   2.151
  109    HA   CYS  16           HA       CYS  16  -9.558   0.930  -0.373
  110    HB2  CYS  16           2HB      CYS  16  -7.592  -0.213   0.413
  111    HB3  CYS  16           1HB      CYS  16  -8.435  -0.782   1.842
  112    HG   CYS  16           HG       CYS  16 -10.267  -2.071  -0.318
  113    H    GLU  17           H        GLU  17 -10.238  -0.738   2.654
  114    HA   GLU  17           HA       GLU  17 -12.869  -1.492   1.672
  115    HB2  GLU  17           2HB      GLU  17 -10.993  -2.858   3.042
  116    HB3  GLU  17           1HB      GLU  17 -11.935  -2.233   4.383
  117    HG2  GLU  17           2HG      GLU  17 -13.039  -3.865   2.104
  118    HG3  GLU  17           1HG      GLU  17 -12.592  -4.505   3.682
  119    H    GLY  18           H        GLY  18 -14.751  -0.886   2.635
  120    HA2  GLY  18           2HA      GLY  18 -16.096   0.866   3.488
  121    HA3  GLY  18           1HA      GLY  18 -15.649  -0.058   4.909
  122    H    SER  19           H        SER  19 -14.173   0.779   6.364
  123    HA   SER  19           HA       SER  19 -13.364   3.574   5.894
  124    HB2  SER  19           2HB      SER  19 -13.478   3.794   8.404
  125    HB3  SER  19           1HB      SER  19 -15.036   3.602   7.603
  126    HG   SER  19           HG       SER  19 -15.280   2.023   8.973
  127    H    ASN  20           H        ASN  20 -12.240   0.508   6.125
  128    HA   ASN  20           HA       ASN  20  -9.984   0.840   7.830
  129    HB2  ASN  20           2HB      ASN  20 -10.745  -1.202   5.764
  130    HB3  ASN  20           1HB      ASN  20  -9.164  -1.237   6.540
  131   HD21  ASN  20          1HD2      ASN  20 -12.614  -1.410   7.082
  132   HD22  ASN  20          2HD2      ASN  20 -12.515  -2.190   8.613
  133    H    VAL  21           H        VAL  21  -8.646   2.383   7.402
  134    HA   VAL  21           HA       VAL  21  -7.750   2.927   4.684
  135    HB   VAL  21           HB       VAL  21  -6.767   4.252   7.219
  136   HG11  VAL  21          1HG1      VAL  21  -6.166   6.085   5.704
  137   HG12  VAL  21          2HG1      VAL  21  -6.706   5.111   4.336
  138   HG13  VAL  21          3HG1      VAL  21  -5.330   4.583   5.304
  139   HG21  VAL  21          3HG2      VAL  21  -9.198   4.499   7.072
  140   HG22  VAL  21          1HG2      VAL  21  -9.029   5.133   5.436
  141   HG23  VAL  21          2HG2      VAL  21  -8.373   6.035   6.802
  142    H    CYS  22           H        CYS  22  -6.402   1.412   3.978
  143    HA   CYS  22           HA       CYS  22  -4.750  -0.146   5.653
  144    HB2  CYS  22           2HB      CYS  22  -5.520  -0.145   2.899
  145    HB3  CYS  22           1HB      CYS  22  -3.763  -0.222   2.980
  146    HG   CYS  22           HG       CYS  22  -6.042  -2.499   3.969
  147    H    GLY  23           H        GLY  23  -2.435  -0.288   5.611
  148    HA2  GLY  23           2HA      GLY  23  -1.070   2.208   4.869
  149    HA3  GLY  23           1HA      GLY  23  -0.861   1.533   6.482
  150    H    GLN  24           H        GLN  24   1.365   1.224   6.185
  151    HA   GLN  24           HA       GLN  24   2.222  -0.307   3.875
  152    HB2  GLN  24           2HB      GLN  24   3.871   0.773   6.168
  153    HB3  GLN  24           1HB      GLN  24   4.480   0.162   4.633
  154    HG2  GLN  24           2HG      GLN  24   3.282   1.980   3.472
  155    HG3  GLN  24           1HG      GLN  24   2.786   2.620   5.035
  156   HE21  GLN  24          1HE2      GLN  24   5.396   1.898   6.241
  157   HE22  GLN  24          2HE2      GLN  24   6.511   3.089   5.651
  158    H    GLY  25           H        GLY  25   3.153  -2.330   3.948
  159    HA2  GLY  25           2HA      GLY  25   3.556  -4.419   5.026
  160    HA3  GLY  25           1HA      GLY  25   2.584  -3.873   6.391
  161    H    ASN  26           H        ASN  26   0.697  -2.742   4.266
  162    HA   ASN  26           HA       ASN  26  -0.490  -5.269   3.343
  163    HB2  ASN  26           2HB      ASN  26  -1.894  -2.710   4.132
  164    HB3  ASN  26           1HB      ASN  26  -2.682  -4.094   3.379
  165   HD21  ASN  26          1HD2      ASN  26  -1.360  -2.784   6.276
  166   HD22  ASN  26          2HD2      ASN  26  -1.874  -4.052   7.337
  167    H    LYS  27           H        LYS  27  -1.825  -4.972   1.359
  168    HA   LYS  27           HA       LYS  27  -1.120  -2.705  -0.317
  169    HB2  LYS  27           2HB      LYS  27   0.705  -4.315  -0.691
  170    HB3  LYS  27           1HB      LYS  27  -0.470  -5.559  -1.092
  171    HG2  LYS  27           2HG      LYS  27  -1.027  -4.560  -3.117
  172    HG3  LYS  27           1HG      LYS  27  -0.354  -3.001  -2.638
  173    HD2  LYS  27           2HD      LYS  27   1.114  -4.031  -4.241
  174    HD3  LYS  27           1HD      LYS  27   1.904  -4.017  -2.662
  175    HE2  LYS  27           2HE      LYS  27   2.312  -6.152  -3.608
  176    HE3  LYS  27           1HE      LYS  27   1.087  -6.380  -2.361
  177    HZ1  LYS  27           3HZ      LYS  27   0.497  -7.611  -4.322
  178    HZ2  LYS  27           1HZ      LYS  27   0.613  -6.227  -5.295
  179    HZ3  LYS  27           2HZ      LYS  27  -0.604  -6.344  -4.128
  180    H    CYS  28           H        CYS  28  -3.033  -2.078  -1.169
  181    HA   CYS  28           HA       CYS  28  -5.216  -3.991  -1.289
  182    HB2  CYS  28           2HB      CYS  28  -5.812  -1.859  -0.350
  183    HB3  CYS  28           1HB      CYS  28  -5.092  -1.001  -1.708
  184    HG   CYS  28           HG       CYS  28  -8.061  -2.643  -1.581
  185    H    ILE  29           H        ILE  29  -6.101  -4.762  -3.115
  186    HA   ILE  29           HA       ILE  29  -5.066  -3.773  -5.673
  187    HB   ILE  29           HB       ILE  29  -5.351  -6.200  -6.474
  188   HG12  ILE  29          2HG1      ILE  29  -5.069  -6.656  -3.502
  189   HG13  ILE  29          1HG1      ILE  29  -6.522  -6.988  -4.442
  190   HG21  ILE  29          1HG2      ILE  29  -3.196  -5.072  -6.276
  191   HG22  ILE  29          2HG2      ILE  29  -3.066  -6.762  -5.793
  192   HG23  ILE  29          3HG2      ILE  29  -3.122  -5.497  -4.566
  193   HD11  ILE  29          3HD1      ILE  29  -5.288  -9.027  -4.007
  194   HD12  ILE  29          1HD1      ILE  29  -3.848  -8.340  -4.759
  195   HD13  ILE  29          2HD1      ILE  29  -5.283  -8.661  -5.732
  196    H    LEU  30           H        LEU  30  -6.549  -3.283  -7.099
  197    HA   LEU  30           HA       LEU  30  -9.338  -3.900  -6.469
  198    HB2  LEU  30           2HB      LEU  30  -8.157  -1.606  -8.040
  199    HB3  LEU  30           1HB      LEU  30  -9.874  -1.912  -7.878
  200    HG   LEU  30           HG       LEU  30  -9.409  -1.730  -5.321
  201   HD11  LEU  30          1HD1      LEU  30  -6.986  -1.693  -5.461
  202   HD12  LEU  30          2HD1      LEU  30  -7.597  -0.190  -4.771
  203   HD13  LEU  30          3HD1      LEU  30  -7.054  -0.233  -6.447
  204   HD21  LEU  30          3HD2      LEU  30  -9.366   0.662  -7.151
  205   HD22  LEU  30          1HD2      LEU  30  -9.783   0.689  -5.437
  206   HD23  LEU  30          2HD2      LEU  30 -10.799  -0.193  -6.578
  207    H    GLY  31           H        GLY  31  -9.870  -5.656  -7.605
  208    HA2  GLY  31           2HA      GLY  31 -10.757  -6.629  -9.507
  209    HA3  GLY  31           1HA      GLY  31  -9.972  -5.392 -10.448
  210    H    ARG  32           H        ARG  32  -9.405  -8.317  -8.637
  211    HA   ARG  32           HA       ARG  32  -7.295  -9.014 -10.541
  212    HB2  ARG  32           2HB      ARG  32  -6.529  -8.063  -8.196
  213    HB3  ARG  32           1HB      ARG  32  -6.925  -9.684  -7.648
  214    HG2  ARG  32           2HG      ARG  32  -4.551  -9.451  -8.179
  215    HG3  ARG  32           1HG      ARG  32  -5.341 -10.631  -9.228
  216    HD2  ARG  32           2HD      ARG  32  -3.767  -9.059 -10.394
  217    HD3  ARG  32           1HD      ARG  32  -5.407  -9.092 -11.044
  218    HE   ARG  32           HE       ARG  32  -5.025  -7.044  -9.081
  219   HH11  ARG  32          1HH1      ARG  32  -4.490  -7.830 -12.449
  220   HH12  ARG  32          2HH1      ARG  32  -4.685  -6.190 -12.984
  221   HH21  ARG  32          1HH2      ARG  32  -5.312  -4.877  -9.804
  222   HH22  ARG  32          2HH2      ARG  32  -5.141  -4.519 -11.496
  223    H    GLY  33           H        GLY  33  -9.395 -10.099 -11.212
  224    HA2  GLY  33           2HA      GLY  33 -10.204 -12.237 -11.669
  225    HA3  GLY  33           1HA      GLY  33  -9.276 -12.854 -10.306
  226    H    ASP  34           H        ASP  34 -10.238 -13.146  -8.388
  227    HA   ASP  34           HA       ASP  34 -13.113 -12.635  -8.235
  228    HB2  ASP  34           2HB      ASP  34 -11.277 -14.155  -6.366
  229    HB3  ASP  34           1HB      ASP  34 -13.026 -14.038  -6.199
  230    H    SER  35           H        SER  35 -10.701 -10.746  -7.877
  231    HA   SER  35           HA       SER  35 -11.469  -9.601  -5.278
  232    HB2  SER  35           2HB      SER  35  -9.022 -10.364  -5.816
  233    HB3  SER  35           1HB      SER  35  -8.961  -8.873  -6.764
  234    HG   SER  35           HG       SER  35  -9.245  -9.235  -3.990
  235    H    LYS  36           H        LYS  36 -12.038  -7.450  -5.197
  236    HA   LYS  36           HA       LYS  36 -11.833  -5.902  -7.681
  237    HB2  LYS  36           2HB      LYS  36 -14.272  -6.177  -5.931
  238    HB3  LYS  36           1HB      LYS  36 -14.053  -4.822  -7.030
  239    HG2  LYS  36           2HG      LYS  36 -15.292  -6.236  -8.338
  240    HG3  LYS  36           1HG      LYS  36 -13.654  -6.708  -8.796
  241    HD2  LYS  36           2HD      LYS  36 -13.841  -8.491  -6.984
  242    HD3  LYS  36           1HD      LYS  36 -15.572  -8.139  -6.978
  243    HE2  LYS  36           2HE      LYS  36 -13.925  -9.062  -9.334
  244    HE3  LYS  36           1HE      LYS  36 -15.101 -10.022  -8.439
  245    HZ1  LYS  36           3HZ      LYS  36 -15.877  -9.054 -10.602
  246    HZ2  LYS  36           1HZ      LYS  36 -15.821  -7.528  -9.871
  247    HZ3  LYS  36           2HZ      LYS  36 -16.867  -8.718  -9.262
  248    H    ASN  37           H        ASN  37 -12.171  -5.901  -4.193
  249    HA   ASN  37           HA       ASN  37 -10.287  -3.735  -3.984
  250    HB2  ASN  37           2HB      ASN  37 -12.433  -2.516  -4.147
  251    HB3  ASN  37           1HB      ASN  37 -13.076  -3.469  -2.812
  252   HD21  ASN  37          1HD2      ASN  37 -10.894  -0.956  -3.747
  253   HD22  ASN  37          2HD2      ASN  37 -10.590  -0.358  -2.160
  254    H    GLN  38           H        GLN  38  -8.910  -5.106  -2.834
  255    HA   GLN  38           HA       GLN  38  -9.882  -5.878  -0.187
  256    HB2  GLN  38           2HB      GLN  38 -10.056  -7.723  -2.040
  257    HB3  GLN  38           1HB      GLN  38  -8.340  -7.906  -1.747
  258    HG2  GLN  38           2HG      GLN  38 -10.354  -8.024   0.469
  259    HG3  GLN  38           1HG      GLN  38  -9.950  -9.438  -0.497
  260   HE21  GLN  38          1HE2      GLN  38  -7.173  -8.788  -0.803
  261   HE22  GLN  38          2HE2      GLN  38  -6.435  -9.041   0.743
  262    H    CYS  39           H        CYS  39  -8.399  -5.766   1.375
  263    HA   CYS  39           HA       CYS  39  -5.767  -4.743   0.720
  264    HB2  CYS  39           2HB      CYS  39  -7.216  -5.128   3.329
  265    HB3  CYS  39           1HB      CYS  39  -5.570  -4.533   3.223
  266    HG   CYS  39           HG       CYS  39  -7.566  -2.771   1.274
  267    H    VAL  40           H        VAL  40  -4.573  -6.467  -0.052
  268    HA   VAL  40           HA       VAL  40  -4.392  -8.891   1.548
  269    HB   VAL  40           HB       VAL  40  -4.464  -8.747  -1.040
  270   HG11  VAL  40          1HG1      VAL  40  -1.526  -8.249  -0.597
  271   HG12  VAL  40          2HG1      VAL  40  -2.676  -7.134  -1.337
  272   HG13  VAL  40          3HG1      VAL  40  -2.282  -8.656  -2.137
  273   HG21  VAL  40          3HG2      VAL  40  -3.088 -10.791  -1.234
  274   HG22  VAL  40          1HG2      VAL  40  -4.183 -10.827   0.148
  275   HG23  VAL  40          2HG2      VAL  40  -2.468 -10.498   0.391
  276    H    THR  41           H        THR  41  -2.219  -9.724   2.128
  277    HA   THR  41           HA       THR  41  -0.771  -7.569   3.412
  278    HB   THR  41           HB       THR  41   0.457  -9.498   4.522
  279    HG1  THR  41           HG1      THR  41  -0.261 -11.531   4.161
  280   HG21  THR  41          3HG2      THR  41  -1.413  -9.987   6.034
  281   HG22  THR  41          1HG2      THR  41  -2.543  -9.329   4.852
  282   HG23  THR  41          2HG2      THR  41  -1.357  -8.274   5.620
  283    H    GLY  42           H        GLY  42   1.161  -6.883   2.891
  284    HA2  GLY  42           2HA      GLY  42   3.297  -8.264   1.827
  285    HA3  GLY  42           1HA      GLY  42   2.400  -7.651   0.443
  286    H    GLU  43           H        GLU  43   3.525  -5.939  -0.304
  287    HA   GLU  43           HA       GLU  43   3.663  -3.685   1.533
  288    HB2  GLU  43           2HB      GLU  43   5.915  -3.037   0.588
  289    HB3  GLU  43           1HB      GLU  43   5.903  -4.391   1.704
  290    HG2  GLU  43           2HG      GLU  43   6.006  -5.936  -0.195
  291    HG3  GLU  43           1HG      GLU  43   6.078  -4.553  -1.291
  292    H    GLY  44           H        GLY  44   2.480  -2.189   0.675
  293    HA2  GLY  44           2HA      GLY  44   2.032  -2.176  -2.199
  294    HA3  GLY  44           1HA      GLY  44   1.074  -1.333  -0.995
  295    H    THR  45           H        THR  45   1.127   0.607  -2.022
  296    HA   THR  45           HA       THR  45   3.635   2.089  -1.814
  297    HB   THR  45           HB       THR  45   2.248   2.927  -4.183
  298    HG1  THR  45           HG1      THR  45   1.930   0.389  -3.879
  299   HG21  THR  45          3HG2      THR  45   4.962   1.649  -3.824
  300   HG22  THR  45          1HG2      THR  45   4.607   3.370  -3.677
  301   HG23  THR  45          2HG2      THR  45   4.425   2.563  -5.233
  302    HA   PRO  46           HA       PRO  46   0.923   5.221  -0.120
  303    HB2  PRO  46           2HB      PRO  46   2.812   7.075  -1.489
  304    HB3  PRO  46           1HB      PRO  46   2.276   7.063   0.196
  305    HG2  PRO  46           2HG      PRO  46   4.716   6.220  -0.460
  306    HG3  PRO  46           1HG      PRO  46   3.773   5.400   0.799
  307    HD2  PRO  46           2HD      PRO  46   4.307   4.562  -2.020
  308    HD3  PRO  46           1HD      PRO  46   4.179   3.572  -0.551
  309    H    LYS  47           H        LYS  47  -0.823   6.335  -0.939
  310    HA   LYS  47           HA       LYS  47  -1.252   5.967  -3.754
  311    HB2  LYS  47           2HB      LYS  47  -2.951   5.362  -2.034
  312    HB3  LYS  47           1HB      LYS  47  -3.104   7.072  -1.638
  313    HG2  LYS  47           2HG      LYS  47  -3.551   7.312  -4.186
  314    HG3  LYS  47           1HG      LYS  47  -3.942   5.604  -4.069
  315    HD2  LYS  47           2HD      LYS  47  -5.768   5.969  -2.720
  316    HD3  LYS  47           1HD      LYS  47  -5.149   7.516  -2.128
  317    HE2  LYS  47           2HE      LYS  47  -5.832   7.149  -5.000
  318    HE3  LYS  47           1HE      LYS  47  -7.105   7.504  -3.830
  319    HZ1  LYS  47           3HZ      LYS  47  -4.692   9.170  -4.348
  320    HZ2  LYS  47           1HZ      LYS  47  -5.904   9.512  -3.213
  321    HZ3  LYS  47           2HZ      LYS  47  -6.269   9.521  -4.869
  322    HA   PRO  48           HA       PRO  48  -0.031  10.116  -4.766
  323    HB2  PRO  48           2HB      PRO  48  -1.609   9.506  -7.201
  324    HB3  PRO  48           1HB      PRO  48   0.060  10.065  -7.048
  325    HG2  PRO  48           2HG      PRO  48  -0.474   7.540  -7.720
  326    HG3  PRO  48           1HG      PRO  48   0.878   7.935  -6.641
  327    HD2  PRO  48           2HD      PRO  48  -1.829   6.845  -5.966
  328    HD3  PRO  48           1HD      PRO  48  -0.244   6.430  -5.280
  329    H    GLN  49           H        GLN  49  -0.942  12.021  -4.636
  330    HA   GLN  49           HA       GLN  49  -3.679  12.543  -5.235
  331    HB2  GLN  49           2HB      GLN  49  -4.032  13.497  -2.836
  332    HB3  GLN  49           1HB      GLN  49  -4.285  11.782  -3.128
  333    HG2  GLN  49           2HG      GLN  49  -2.183  11.233  -2.188
  334    HG3  GLN  49           1HG      GLN  49  -1.709  12.924  -2.093
  335   HE21  GLN  49          1HE2      GLN  49  -3.588  10.390  -0.667
  336   HE22  GLN  49          2HE2      GLN  49  -3.977  11.224   0.798
  337    H    SER  50           H        SER  50  -1.343  13.939  -2.970
  338    HA   SER  50           HA       SER  50  -1.228  16.332  -4.665
  339    HB2  SER  50           2HB      SER  50  -2.125  16.447  -2.239
  340    HB3  SER  50           1HB      SER  50  -0.444  16.230  -1.753
  341    HG   SER  50           HG       SER  50  -1.295  18.253  -3.557
  342    H    HIS  51           H        HIS  51   0.348  14.714  -5.798
  343    HA   HIS  51           HA       HIS  51   2.952  14.499  -4.544
  344    HB2  HIS  51           2HB      HIS  51   1.840  13.675  -7.179
  345    HB3  HIS  51           1HB      HIS  51   3.575  13.752  -6.961
  346    HD1  HIS  51           HD1      HIS  51   2.887  12.677  -3.794
  347    HD2  HIS  51           HD2      HIS  51   2.390  10.831  -7.491
  348    HE1  HIS  51           HE1      HIS  51   2.935  10.208  -3.336
  349    HE2  HIS  51           HE2      HIS  51   2.910   9.131  -5.614
  Start of MODEL   11
    1    H1   VAL   1           1H       VAL   1  -3.331  16.707   4.096
    2    H2   VAL   1           2H       VAL   1  -2.296  16.199   5.338
    3    H3   VAL   1           3H       VAL   1  -3.972  16.233   5.592
    4    HA   VAL   1           HA       VAL   1  -2.571  14.483   3.666
    5    HB   VAL   1           HB       VAL   1  -3.904  13.799   6.267
    6   HG11  VAL   1          1HG1      VAL   1  -4.265  12.053   4.626
    7   HG12  VAL   1          2HG1      VAL   1  -3.109  11.508   5.840
    8   HG13  VAL   1          3HG1      VAL   1  -2.543  12.023   4.251
    9   HG21  VAL   1          3HG2      VAL   1  -1.726  14.832   6.608
   10   HG22  VAL   1          1HG2      VAL   1  -0.998  13.680   5.488
   11   HG23  VAL   1          2HG2      VAL   1  -1.675  13.115   7.017
   12    H    VAL   2           H        VAL   2  -3.849  13.695   2.099
   13    HA   VAL   2           HA       VAL   2  -6.766  13.898   2.476
   14    HB   VAL   2           HB       VAL   2  -5.322  14.366  -0.143
   15   HG11  VAL   2          1HG1      VAL   2  -7.578  13.461  -0.387
   16   HG12  VAL   2          2HG1      VAL   2  -7.502  15.134  -0.939
   17   HG13  VAL   2          3HG1      VAL   2  -8.214  14.755   0.630
   18   HG21  VAL   2          3HG2      VAL   2  -4.831  16.205   1.341
   19   HG22  VAL   2          1HG2      VAL   2  -6.538  16.364   1.762
   20   HG23  VAL   2          2HG2      VAL   2  -5.995  16.730   0.124
   21    H    TYR   3           H        TYR   3  -6.719  11.661   3.116
   22    HA   TYR   3           HA       TYR   3  -5.939   9.769   1.046
   23    HB2  TYR   3           2HB      TYR   3  -7.070   9.327   3.809
   24    HB3  TYR   3           1HB      TYR   3  -6.780   8.032   2.666
   25    HD1  TYR   3           HD2      TYR   3  -4.157   9.489   1.604
   26    HD2  TYR   3           HD1      TYR   3  -5.568   8.281   5.433
   27    HE1  TYR   3           HE2      TYR   3  -1.836   9.276   2.385
   28    HE2  TYR   3           HE1      TYR   3  -3.249   8.063   6.220
   29    HH   TYR   3           HH       TYR   3  -1.000   7.721   5.284
   30    H    THR   4           H        THR   4  -7.398   8.179   0.298
   31    HA   THR   4           HA       THR   4 -10.230   8.752   0.387
   32    HB   THR   4           HB       THR   4  -9.824   8.508  -2.346
   33    HG1  THR   4           HG1      THR   4  -8.113  10.609  -1.558
   34   HG21  THR   4          3HG2      THR   4 -11.490   9.926  -1.258
   35   HG22  THR   4          1HG2      THR   4 -10.571  10.842  -2.452
   36   HG23  THR   4          2HG2      THR   4 -10.221  11.031  -0.735
   37    H    ASP   5           H        ASP   5 -10.786   7.180  -1.964
   38    HA   ASP   5           HA       ASP   5 -10.278   4.549  -0.834
   39    HB2  ASP   5           2HB      ASP   5 -11.610   4.934  -3.498
   40    HB3  ASP   5           1HB      ASP   5 -12.006   3.806  -2.208
   41    H    CYS   6           H        CYS   6  -9.113   2.910  -1.974
   42    HA   CYS   6           HA       CYS   6  -6.806   3.769  -3.293
   43    HB2  CYS   6           2HB      CYS   6  -7.957   1.009  -3.613
   44    HB3  CYS   6           1HB      CYS   6  -6.268   1.503  -3.644
   45    HG   CYS   6           HG       CYS   6  -6.984  -0.009  -1.305
   46    H    THR   7           H        THR   7  -6.324   4.174  -5.324
   47    HA   THR   7           HA       THR   7  -8.489   3.995  -7.294
   48    HB   THR   7           HB       THR   7  -5.966   5.638  -7.471
   49    HG1  THR   7           HG1      THR   7  -8.539   6.433  -6.486
   50   HG21  THR   7          3HG2      THR   7  -7.274   6.991  -9.056
   51   HG22  THR   7          1HG2      THR   7  -8.642   5.893  -8.861
   52   HG23  THR   7          2HG2      THR   7  -7.144   5.317  -9.595
   53    H    GLU   8           H        GLU   8  -5.288   2.915  -6.560
   54    HA   GLU   8           HA       GLU   8  -5.150   1.549  -9.152
   55    HB2  GLU   8           2HB      GLU   8  -3.428   3.592  -8.198
   56    HB3  GLU   8           1HB      GLU   8  -2.522   2.089  -8.166
   57    HG2  GLU   8           2HG      GLU   8  -4.023   3.078 -10.573
   58    HG3  GLU   8           1HG      GLU   8  -2.312   3.389 -10.276
   59    H    SER   9           H        SER   9  -3.777  -0.339  -9.133
   60    HA   SER   9           HA       SER   9  -4.164  -1.838  -6.679
   61    HB2  SER   9           2HB      SER   9  -3.073  -2.703  -9.375
   62    HB3  SER   9           1HB      SER   9  -3.503  -3.779  -8.043
   63    HG   SER   9           HG       SER   9  -5.076  -3.118  -9.935
   64    H    GLY  10           H        GLY  10  -2.610  -1.994  -5.194
   65    HA2  GLY  10           2HA      GLY  10  -0.258  -2.621  -4.788
   66    HA3  GLY  10           1HA      GLY  10   0.176  -1.491  -6.061
   67    H    GLN  11           H        GLN  11  -2.263   0.014  -4.625
   68    HA   GLN  11           HA       GLN  11  -0.509   1.555  -2.880
   69    HB2  GLN  11           2HB      GLN  11  -3.123   2.002  -4.181
   70    HB3  GLN  11           1HB      GLN  11  -2.949   2.728  -2.582
   71    HG2  GLN  11           2HG      GLN  11  -1.920   4.407  -3.555
   72    HG3  GLN  11           1HG      GLN  11  -0.576   3.324  -3.886
   73   HE21  GLN  11          1HE2      GLN  11  -3.343   4.945  -5.173
   74   HE22  GLN  11          2HE2      GLN  11  -2.964   4.683  -6.837
   75    H    ASN  12           H        ASN  12  -1.294   2.164  -0.682
   76    HA   ASN  12           HA       ASN  12  -2.955   0.084   0.518
   77    HB2  ASN  12           2HB      ASN  12  -1.355   0.105   2.516
   78    HB3  ASN  12           1HB      ASN  12  -0.930  -0.852   1.109
   79   HD21  ASN  12          1HD2      ASN  12   1.190  -0.835   1.891
   80   HD22  ASN  12          2HD2      ASN  12   2.225   0.523   1.630
   81    H    LEU  13           H        LEU  13  -1.153   3.011   1.361
   82    HA   LEU  13           HA       LEU  13  -2.751   3.794   3.523
   83    HB2  LEU  13           2HB      LEU  13  -0.953   5.389   1.710
   84    HB3  LEU  13           1HB      LEU  13  -1.744   6.078   3.116
   85    HG   LEU  13           HG       LEU  13   0.178   3.753   3.205
   86   HD11  LEU  13          1HD1      LEU  13   1.756   5.357   4.172
   87   HD12  LEU  13          2HD1      LEU  13   0.604   6.661   3.882
   88   HD13  LEU  13          3HD1      LEU  13   1.315   5.792   2.520
   89   HD21  LEU  13          3HD2      LEU  13  -1.409   3.724   5.040
   90   HD22  LEU  13          1HD2      LEU  13  -1.073   5.420   5.386
   91   HD23  LEU  13          2HD2      LEU  13   0.183   4.206   5.624
   92    H    CYS  14           H        CYS  14  -4.708   3.161   2.233
   93    HA   CYS  14           HA       CYS  14  -6.189   5.593   1.720
   94    HB2  CYS  14           2HB      CYS  14  -7.158   4.214  -0.384
   95    HB3  CYS  14           1HB      CYS  14  -5.880   5.410  -0.530
   96    HG   CYS  14           HG       CYS  14  -5.501   2.013  -0.442
   97    H    LEU  15           H        LEU  15  -8.559   5.107   1.608
   98    HA   LEU  15           HA       LEU  15  -9.190   3.032   3.518
   99    HB2  LEU  15           2HB      LEU  15 -11.573   4.103   2.389
  100    HB3  LEU  15           1HB      LEU  15 -10.928   4.334   3.993
  101    HG   LEU  15           HG       LEU  15 -10.009   6.064   1.712
  102   HD11  LEU  15          1HD1      LEU  15 -12.398   6.491   3.501
  103   HD12  LEU  15          2HD1      LEU  15 -12.428   6.238   1.756
  104   HD13  LEU  15          3HD1      LEU  15 -11.703   7.701   2.425
  105   HD21  LEU  15          3HD2      LEU  15 -10.120   6.435   4.701
  106   HD22  LEU  15          1HD2      LEU  15  -9.580   7.649   3.545
  107   HD23  LEU  15          2HD2      LEU  15  -8.676   6.148   3.731
  108    H    CYS  16           H        CYS  16  -8.525   1.259   2.273
  109    HA   CYS  16           HA       CYS  16  -9.637   0.560  -0.226
  110    HB2  CYS  16           2HB      CYS  16  -7.525  -0.382   0.512
  111    HB3  CYS  16           1HB      CYS  16  -8.304  -1.108   1.910
  112    HG   CYS  16           HG       CYS  16  -9.997  -2.387  -0.417
  113    H    GLU  17           H        GLU  17 -10.025  -1.423   2.671
  114    HA   GLU  17           HA       GLU  17 -12.624  -2.289   1.870
  115    HB2  GLU  17           2HB      GLU  17 -10.975  -3.654   3.193
  116    HB3  GLU  17           1HB      GLU  17 -11.288  -2.601   4.557
  117    HG2  GLU  17           2HG      GLU  17 -12.527  -4.684   4.731
  118    HG3  GLU  17           1HG      GLU  17 -13.605  -3.295   4.608
  119    H    GLY  18           H        GLY  18 -14.535  -2.014   3.188
  120    HA2  GLY  18           2HA      GLY  18 -15.959   0.014   3.318
  121    HA3  GLY  18           1HA      GLY  18 -15.768  -0.760   4.876
  122    H    SER  19           H        SER  19 -14.155   0.136   6.339
  123    HA   SER  19           HA       SER  19 -13.507   2.952   5.740
  124    HB2  SER  19           2HB      SER  19 -13.759   3.264   8.278
  125    HB3  SER  19           1HB      SER  19 -15.244   3.091   7.342
  126    HG   SER  19           HG       SER  19 -14.934   1.779   9.366
  127    H    ASN  20           H        ASN  20 -12.056   0.218   5.736
  128    HA   ASN  20           HA       ASN  20 -10.031   0.603   7.775
  129    HB2  ASN  20           2HB      ASN  20 -10.327  -1.445   5.578
  130    HB3  ASN  20           1HB      ASN  20  -8.963  -1.405   6.685
  131   HD21  ASN  20          1HD2      ASN  20 -12.140  -0.528   7.755
  132   HD22  ASN  20          2HD2      ASN  20 -12.442  -1.947   8.687
  133    H    VAL  21           H        VAL  21  -8.588   2.139   7.467
  134    HA   VAL  21           HA       VAL  21  -7.612   2.782   4.805
  135    HB   VAL  21           HB       VAL  21  -6.620   3.892   7.444
  136   HG11  VAL  21          1HG1      VAL  21  -5.899   5.791   6.082
  137   HG12  VAL  21          2HG1      VAL  21  -6.515   4.989   4.636
  138   HG13  VAL  21          3HG1      VAL  21  -5.164   4.285   5.526
  139   HG21  VAL  21          3HG2      VAL  21  -8.157   5.789   7.066
  140   HG22  VAL  21          1HG2      VAL  21  -9.007   4.270   7.352
  141   HG23  VAL  21          2HG2      VAL  21  -8.871   4.907   5.716
  142    H    CYS  22           H        CYS  22  -6.240   1.298   4.033
  143    HA   CYS  22           HA       CYS  22  -4.650  -0.310   5.778
  144    HB2  CYS  22           2HB      CYS  22  -5.433  -0.378   2.991
  145    HB3  CYS  22           1HB      CYS  22  -3.707  -0.683   3.169
  146    HG   CYS  22           HG       CYS  22  -6.285  -2.637   3.947
  147    H    GLY  23           H        GLY  23  -2.298  -0.600   5.425
  148    HA2  GLY  23           2HA      GLY  23  -0.874   1.759   4.496
  149    HA3  GLY  23           1HA      GLY  23  -0.739   1.393   6.210
  150    H    GLN  24           H        GLN  24   1.302   0.670   6.438
  151    HA   GLN  24           HA       GLN  24   2.518  -0.875   4.312
  152    HB2  GLN  24           2HB      GLN  24   3.517   0.491   6.783
  153    HB3  GLN  24           1HB      GLN  24   4.499  -0.770   6.053
  154    HG2  GLN  24           2HG      GLN  24   5.225   1.395   5.276
  155    HG3  GLN  24           1HG      GLN  24   4.521   0.484   3.943
  156   HE21  GLN  24          1HE2      GLN  24   4.167   2.361   2.771
  157   HE22  GLN  24          2HE2      GLN  24   2.891   3.458   3.168
  158    H    GLY  25           H        GLY  25   2.773  -2.981   4.319
  159    HA2  GLY  25           2HA      GLY  25   3.133  -5.073   5.533
  160    HA3  GLY  25           1HA      GLY  25   1.999  -4.479   6.746
  161    H    ASN  26           H        ASN  26   0.438  -3.283   4.458
  162    HA   ASN  26           HA       ASN  26  -0.652  -5.754   3.292
  163    HB2  ASN  26           2HB      ASN  26  -2.184  -3.295   4.174
  164    HB3  ASN  26           1HB      ASN  26  -2.879  -4.619   3.247
  165   HD21  ASN  26          1HD2      ASN  26  -3.564  -3.580   5.886
  166   HD22  ASN  26          2HD2      ASN  26  -3.427  -4.914   6.984
  167    H    LYS  27           H        LYS  27  -1.691  -5.437   1.201
  168    HA   LYS  27           HA       LYS  27  -0.978  -2.976  -0.193
  169    HB2  LYS  27           2HB      LYS  27   0.871  -4.472  -0.681
  170    HB3  LYS  27           1HB      LYS  27  -0.240  -5.749  -1.149
  171    HG2  LYS  27           2HG      LYS  27  -0.724  -4.783  -3.169
  172    HG3  LYS  27           1HG      LYS  27  -0.351  -3.154  -2.602
  173    HD2  LYS  27           2HD      LYS  27   1.352  -3.870  -4.157
  174    HD3  LYS  27           1HD      LYS  27   2.042  -3.755  -2.538
  175    HE2  LYS  27           2HE      LYS  27   2.891  -5.745  -3.496
  176    HE3  LYS  27           1HE      LYS  27   1.666  -6.238  -2.328
  177    HZ1  LYS  27           3HZ      LYS  27   1.537  -7.446  -4.449
  178    HZ2  LYS  27           1HZ      LYS  27   1.202  -5.991  -5.253
  179    HZ3  LYS  27           2HZ      LYS  27   0.110  -6.601  -4.109
  180    H    CYS  28           H        CYS  28  -2.793  -2.245  -1.125
  181    HA   CYS  28           HA       CYS  28  -5.007  -4.098  -1.497
  182    HB2  CYS  28           2HB      CYS  28  -5.572  -2.066  -0.337
  183    HB3  CYS  28           1HB      CYS  28  -4.854  -1.085  -1.608
  184    HG   CYS  28           HG       CYS  28  -7.794  -2.798  -1.683
  185    H    ILE  29           H        ILE  29  -5.803  -4.691  -3.405
  186    HA   ILE  29           HA       ILE  29  -4.831  -3.343  -5.810
  187    HB   ILE  29           HB       ILE  29  -4.801  -5.590  -6.948
  188   HG12  ILE  29          2HG1      ILE  29  -4.721  -6.622  -4.112
  189   HG13  ILE  29          1HG1      ILE  29  -6.122  -6.749  -5.171
  190   HG21  ILE  29          1HG2      ILE  29  -2.564  -6.157  -6.201
  191   HG22  ILE  29          2HG2      ILE  29  -2.798  -5.228  -4.722
  192   HG23  ILE  29          3HG2      ILE  29  -2.749  -4.403  -6.279
  193   HD11  ILE  29          3HD1      ILE  29  -4.808  -8.106  -6.722
  194   HD12  ILE  29          1HD1      ILE  29  -4.890  -8.827  -5.114
  195   HD13  ILE  29          2HD1      ILE  29  -3.425  -7.993  -5.634
  196    H    LEU  30           H        LEU  30  -6.268  -3.212  -7.440
  197    HA   LEU  30           HA       LEU  30  -9.028  -3.881  -6.823
  198    HB2  LEU  30           2HB      LEU  30  -7.832  -2.076  -8.933
  199    HB3  LEU  30           1HB      LEU  30  -9.545  -2.413  -8.791
  200    HG   LEU  30           HG       LEU  30  -9.318  -1.477  -6.395
  201   HD11  LEU  30          1HD1      LEU  30  -6.903  -1.435  -6.278
  202   HD12  LEU  30          2HD1      LEU  30  -7.564   0.191  -6.112
  203   HD13  LEU  30          3HD1      LEU  30  -6.839  -0.314  -7.638
  204   HD21  LEU  30          3HD2      LEU  30  -9.059   0.330  -8.793
  205   HD22  LEU  30          1HD2      LEU  30  -9.662   0.806  -7.206
  206   HD23  LEU  30          2HD2      LEU  30 -10.555  -0.371  -8.171
  207    H    GLY  31           H        GLY  31  -9.338  -5.980  -7.369
  208    HA2  GLY  31           2HA      GLY  31  -8.180  -6.927  -9.886
  209    HA3  GLY  31           1HA      GLY  31  -8.750  -7.941  -8.569
  210    H    ARG  32           H        ARG  32 -10.566  -8.960  -8.936
  211    HA   ARG  32           HA       ARG  32 -12.677  -7.762 -10.525
  212    HB2  ARG  32           2HB      ARG  32 -11.178 -10.220 -11.430
  213    HB3  ARG  32           1HB      ARG  32 -12.795  -9.833 -11.996
  214    HG2  ARG  32           2HG      ARG  32 -10.337  -8.137 -12.367
  215    HG3  ARG  32           1HG      ARG  32 -11.116  -9.132 -13.598
  216    HD2  ARG  32           2HD      ARG  32 -12.381  -6.795 -12.171
  217    HD3  ARG  32           1HD      ARG  32 -11.719  -6.757 -13.804
  218    HE   ARG  32           HE       ARG  32 -13.508  -8.720 -14.029
  219   HH11  ARG  32          1HH1      ARG  32 -13.804  -5.582 -12.476
  220   HH12  ARG  32          2HH1      ARG  32 -15.478  -5.389 -12.912
  221   HH21  ARG  32          1HH2      ARG  32 -15.716  -8.468 -14.585
  222   HH22  ARG  32          2HH2      ARG  32 -16.564  -7.033 -14.084
  223    H    GLY  33           H        GLY  33 -14.504  -9.505 -10.784
  224    HA2  GLY  33           2HA      GLY  33 -16.087 -10.753  -9.687
  225    HA3  GLY  33           1HA      GLY  33 -14.754 -11.538  -8.846
  226    H    ASP  34           H        ASP  34 -15.321 -11.516  -6.754
  227    HA   ASP  34           HA       ASP  34 -16.469  -9.101  -5.597
  228    HB2  ASP  34           2HB      ASP  34 -16.913 -10.379  -3.652
  229    HB3  ASP  34           1HB      ASP  34 -17.219 -11.473  -4.995
  230    H    SER  35           H        SER  35 -13.476 -10.110  -6.393
  231    HA   SER  35           HA       SER  35 -12.152  -8.887  -4.072
  232    HB2  SER  35           2HB      SER  35 -11.514 -11.232  -4.914
  233    HB3  SER  35           1HB      SER  35 -10.812 -10.418  -6.305
  234    HG   SER  35           HG       SER  35  -9.196  -9.740  -5.121
  235    H    LYS  36           H        LYS  36 -13.426  -7.100  -5.641
  236    HA   LYS  36           HA       LYS  36 -11.694  -6.133  -7.733
  237    HB2  LYS  36           2HB      LYS  36 -13.396  -4.206  -7.774
  238    HB3  LYS  36           1HB      LYS  36 -13.937  -5.800  -8.266
  239    HG2  LYS  36           2HG      LYS  36 -15.644  -4.796  -6.940
  240    HG3  LYS  36           1HG      LYS  36 -14.931  -6.099  -5.999
  241    HD2  LYS  36           2HD      LYS  36 -13.578  -4.444  -4.772
  242    HD3  LYS  36           1HD      LYS  36 -14.335  -3.152  -5.705
  243    HE2  LYS  36           2HE      LYS  36 -15.840  -5.094  -3.961
  244    HE3  LYS  36           1HE      LYS  36 -15.315  -3.495  -3.440
  245    HZ1  LYS  36           3HZ      LYS  36 -17.087  -3.970  -5.775
  246    HZ2  LYS  36           1HZ      LYS  36 -16.706  -2.479  -5.059
  247    HZ3  LYS  36           2HZ      LYS  36 -17.655  -3.608  -4.219
  248    H    ASN  37           H        ASN  37 -11.927  -5.690  -4.414
  249    HA   ASN  37           HA       ASN  37  -9.836  -3.730  -4.393
  250    HB2  ASN  37           2HB      ASN  37 -11.776  -2.261  -4.522
  251    HB3  ASN  37           1HB      ASN  37 -12.565  -3.136  -3.213
  252   HD21  ASN  37          1HD2      ASN  37 -10.024  -0.914  -4.049
  253   HD22  ASN  37          2HD2      ASN  37  -9.743  -0.346  -2.450
  254    H    GLN  38           H        GLN  38  -8.556  -5.199  -3.263
  255    HA   GLN  38           HA       GLN  38  -9.626  -6.075  -0.663
  256    HB2  GLN  38           2HB      GLN  38  -9.772  -7.774  -2.613
  257    HB3  GLN  38           1HB      GLN  38  -8.043  -7.954  -2.385
  258    HG2  GLN  38           2HG      GLN  38  -9.969  -8.292  -0.117
  259    HG3  GLN  38           1HG      GLN  38  -9.618  -9.608  -1.233
  260   HE21  GLN  38          1HE2      GLN  38  -9.102  -9.288   1.644
  261   HE22  GLN  38          2HE2      GLN  38  -7.399  -9.539   1.830
  262    H    CYS  39           H        CYS  39  -8.243  -6.052   0.985
  263    HA   CYS  39           HA       CYS  39  -5.555  -5.052   0.544
  264    HB2  CYS  39           2HB      CYS  39  -7.156  -5.554   3.039
  265    HB3  CYS  39           1HB      CYS  39  -5.493  -4.999   3.060
  266    HG   CYS  39           HG       CYS  39  -7.843  -3.225   1.363
  267    H    VAL  40           H        VAL  40  -4.366  -6.758  -0.266
  268    HA   VAL  40           HA       VAL  40  -4.281  -9.263   1.212
  269    HB   VAL  40           HB       VAL  40  -4.194  -8.969  -1.354
  270   HG11  VAL  40          1HG1      VAL  40  -1.928  -8.815  -2.296
  271   HG12  VAL  40          2HG1      VAL  40  -1.310  -8.421  -0.692
  272   HG13  VAL  40          3HG1      VAL  40  -2.442  -7.330  -1.494
  273   HG21  VAL  40          3HG2      VAL  40  -2.223 -10.774   0.043
  274   HG22  VAL  40          1HG2      VAL  40  -2.810 -10.982  -1.608
  275   HG23  VAL  40          2HG2      VAL  40  -3.929 -11.111  -0.251
  276    H    THR  41           H        THR  41  -2.012 -10.128   1.733
  277    HA   THR  41           HA       THR  41  -0.731  -8.075   3.334
  278    HB   THR  41           HB       THR  41   0.564 -10.017   4.284
  279    HG1  THR  41           HG1      THR  41   0.212 -11.375   2.371
  280   HG21  THR  41          3HG2      THR  41  -1.456  -9.174   5.376
  281   HG22  THR  41          1HG2      THR  41  -1.338 -10.926   5.543
  282   HG23  THR  41          2HG2      THR  41  -2.451 -10.225   4.369
  283    H    GLY  42           H        GLY  42   1.093  -7.136   2.888
  284    HA2  GLY  42           2HA      GLY  42   3.373  -8.179   1.751
  285    HA3  GLY  42           1HA      GLY  42   2.426  -7.550   0.406
  286    H    GLU  43           H        GLU  43   3.530  -5.743  -0.146
  287    HA   GLU  43           HA       GLU  43   3.464  -3.586   1.820
  288    HB2  GLU  43           2HB      GLU  43   5.902  -4.292   0.181
  289    HB3  GLU  43           1HB      GLU  43   5.704  -2.790   1.069
  290    HG2  GLU  43           2HG      GLU  43   5.438  -4.187   3.145
  291    HG3  GLU  43           1HG      GLU  43   5.943  -5.569   2.174
  292    H    GLY  44           H        GLY  44   2.129  -2.180   0.911
  293    HA2  GLY  44           2HA      GLY  44   2.049  -1.929  -1.988
  294    HA3  GLY  44           1HA      GLY  44   0.902  -1.243  -0.851
  295    H    THR  45           H        THR  45   0.985   0.785  -1.749
  296    HA   THR  45           HA       THR  45   3.356   2.352  -1.081
  297    HB   THR  45           HB       THR  45   2.325   3.303  -3.581
  298    HG1  THR  45           HG1      THR  45   1.891   0.851  -3.615
  299   HG21  THR  45          3HG2      THR  45   4.547   3.800  -2.746
  300   HG22  THR  45          1HG2      THR  45   4.675   2.964  -4.295
  301   HG23  THR  45          2HG2      THR  45   4.979   2.090  -2.793
  302    HA   PRO  46           HA       PRO  46   0.312   5.254   0.404
  303    HB2  PRO  46           2HB      PRO  46   2.174   7.305  -0.689
  304    HB3  PRO  46           1HB      PRO  46   1.484   7.164   0.933
  305    HG2  PRO  46           2HG      PRO  46   4.027   6.527   0.488
  306    HG3  PRO  46           1HG      PRO  46   3.030   5.562   1.594
  307    HD2  PRO  46           2HD      PRO  46   3.882   4.962  -1.208
  308    HD3  PRO  46           1HD      PRO  46   3.719   3.868   0.179
  309    H    LYS  47           H        LYS  47  -1.411   6.299  -0.485
  310    HA   LYS  47           HA       LYS  47  -1.632   6.209  -3.360
  311    HB2  LYS  47           2HB      LYS  47  -3.372   5.331  -1.771
  312    HB3  LYS  47           1HB      LYS  47  -3.664   6.989  -1.259
  313    HG2  LYS  47           2HG      LYS  47  -3.969   7.337  -3.854
  314    HG3  LYS  47           1HG      LYS  47  -4.352   5.625  -3.779
  315    HD2  LYS  47           2HD      LYS  47  -6.230   5.951  -2.506
  316    HD3  LYS  47           1HD      LYS  47  -5.628   7.466  -1.828
  317    HE2  LYS  47           2HE      LYS  47  -6.184   7.268  -4.741
  318    HE3  LYS  47           1HE      LYS  47  -7.534   7.478  -3.627
  319    HZ1  LYS  47           3HZ      LYS  47  -5.170   9.288  -3.685
  320    HZ2  LYS  47           1HZ      LYS  47  -6.646   9.533  -2.889
  321    HZ3  LYS  47           2HZ      LYS  47  -6.580   9.576  -4.577
  322    HA   PRO  48           HA       PRO  48  -0.772  10.503  -4.170
  323    HB2  PRO  48           2HB      PRO  48  -3.096  10.139  -6.011
  324    HB3  PRO  48           1HB      PRO  48  -1.509  10.846  -6.329
  325    HG2  PRO  48           2HG      PRO  48  -2.081   8.390  -7.161
  326    HG3  PRO  48           1HG      PRO  48  -0.476   8.779  -6.513
  327    HD2  PRO  48           2HD      PRO  48  -2.710   7.266  -5.262
  328    HD3  PRO  48           1HD      PRO  48  -0.959   7.058  -5.075
  329    H    GLN  49           H        GLN  49  -1.469  12.390  -3.501
  330    HA   GLN  49           HA       GLN  49  -4.254  12.909  -2.889
  331    HB2  GLN  49           2HB      GLN  49  -3.523  13.815  -0.625
  332    HB3  GLN  49           1HB      GLN  49  -3.609  12.071  -0.816
  333    HG2  GLN  49           2HG      GLN  49  -1.301  11.848  -0.957
  334    HG3  GLN  49           1HG      GLN  49  -1.055  13.574  -1.181
  335   HE21  GLN  49          1HE2      GLN  49   0.352  13.725   0.553
  336   HE22  GLN  49          2HE2      GLN  49  -0.186  13.618   2.195
  337    H    SER  50           H        SER  50  -1.313  13.812  -4.013
  338    HA   SER  50           HA       SER  50  -1.921  16.620  -4.180
  339    HB2  SER  50           2HB      SER  50   0.603  15.713  -2.764
  340    HB3  SER  50           1HB      SER  50   0.127  17.380  -3.091
  341    HG   SER  50           HG       SER  50  -1.876  16.658  -1.832
  342    H    HIS  51           H        HIS  51  -1.607  14.463  -6.060
  343    HA   HIS  51           HA       HIS  51   0.935  14.998  -7.404
  344    HB2  HIS  51           2HB      HIS  51  -1.366  13.150  -7.972
  345    HB3  HIS  51           1HB      HIS  51  -0.084  13.414  -9.138
  346    HD1  HIS  51           HD1      HIS  51   1.040  11.199  -9.102
  347    HD2  HIS  51           HD2      HIS  51   0.510  12.748  -5.286
  348    HE1  HIS  51           HE1      HIS  51   2.284   9.649  -7.570
  349    HE2  HIS  51           HE2      HIS  51   1.836  10.520  -5.248
  Start of MODEL   12
    1    H1   VAL   1           1H       VAL   1  -5.621  15.878   6.735
    2    H2   VAL   1           2H       VAL   1  -4.582  15.391   5.491
    3    H3   VAL   1           3H       VAL   1  -3.990  15.554   7.073
    4    HA   VAL   1           HA       VAL   1  -4.302  13.241   6.484
    5    HB   VAL   1           HB       VAL   1  -5.765  12.585   8.389
    6   HG11  VAL   1          1HG1      VAL   1  -3.433  13.072   8.791
    7   HG12  VAL   1          2HG1      VAL   1  -4.405  13.659  10.140
    8   HG13  VAL   1          3HG1      VAL   1  -3.789  14.791   8.938
    9   HG21  VAL   1          3HG2      VAL   1  -6.736  14.325   9.812
   10   HG22  VAL   1          1HG2      VAL   1  -7.445  14.346   8.199
   11   HG23  VAL   1          2HG2      VAL   1  -6.242  15.555   8.649
   12    H    VAL   2           H        VAL   2  -5.841  14.630   4.452
   13    HA   VAL   2           HA       VAL   2  -8.442  13.320   4.508
   14    HB   VAL   2           HB       VAL   2  -7.243  15.080   2.359
   15   HG11  VAL   2          1HG1      VAL   2  -9.590  15.306   1.607
   16   HG12  VAL   2          2HG1      VAL   2 -10.058  14.086   2.792
   17   HG13  VAL   2          3HG1      VAL   2  -8.975  13.661   1.468
   18   HG21  VAL   2          3HG2      VAL   2  -9.201  15.778   4.547
   19   HG22  VAL   2          1HG2      VAL   2  -8.661  16.854   3.258
   20   HG23  VAL   2          2HG2      VAL   2  -7.514  16.286   4.471
   21    H    TYR   3           H        TYR   3  -8.104  11.177   4.245
   22    HA   TYR   3           HA       TYR   3  -6.399  10.223   2.094
   23    HB2  TYR   3           2HB      TYR   3  -7.973   8.766   4.227
   24    HB3  TYR   3           1HB      TYR   3  -7.027   7.952   2.986
   25    HD1  TYR   3           HD2      TYR   3  -6.709  10.429   5.759
   26    HD2  TYR   3           HD1      TYR   3  -4.773   7.488   3.369
   27    HE1  TYR   3           HE2      TYR   3  -4.703  10.612   7.168
   28    HE2  TYR   3           HE1      TYR   3  -2.760   7.667   4.768
   29    HH   TYR   3           HH       TYR   3  -2.725   9.098   7.767
   30    H    THR   4           H        THR   4  -7.262   8.533   0.637
   31    HA   THR   4           HA       THR   4 -10.048   8.985  -0.108
   32    HB   THR   4           HB       THR   4  -8.949   8.998  -2.561
   33    HG1  THR   4           HG1      THR   4  -7.141  10.716  -1.310
   34   HG21  THR   4          3HG2      THR   4  -9.215  11.433  -2.561
   35   HG22  THR   4          1HG2      THR   4  -9.237  11.435  -0.798
   36   HG23  THR   4          2HG2      THR   4 -10.537  10.652  -1.695
   37    H    ASP   5           H        ASP   5 -10.336   7.512  -2.295
   38    HA   ASP   5           HA       ASP   5  -9.756   4.841  -1.295
   39    HB2  ASP   5           2HB      ASP   5 -11.419   5.802  -3.637
   40    HB3  ASP   5           1HB      ASP   5 -11.221   4.108  -3.207
   41    H    CYS   6           H        CYS   6  -8.921   3.174  -2.714
   42    HA   CYS   6           HA       CYS   6  -6.410   3.934  -3.686
   43    HB2  CYS   6           2HB      CYS   6  -7.726   1.342  -4.433
   44    HB3  CYS   6           1HB      CYS   6  -6.030   1.670  -4.109
   45    HG   CYS   6           HG       CYS   6  -6.765   0.139  -2.001
   46    H    THR   7           H        THR   7  -5.632   4.394  -5.629
   47    HA   THR   7           HA       THR   7  -7.533   4.691  -7.831
   48    HB   THR   7           HB       THR   7  -4.728   5.784  -7.697
   49    HG1  THR   7           HG1      THR   7  -7.150   6.908  -6.675
   50   HG21  THR   7          3HG2      THR   7  -7.207   6.702  -9.166
   51   HG22  THR   7          1HG2      THR   7  -5.830   5.871  -9.887
   52   HG23  THR   7          2HG2      THR   7  -5.631   7.491  -9.219
   53    H    GLU   8           H        GLU   8  -4.930   2.775  -6.785
   54    HA   GLU   8           HA       GLU   8  -4.795   1.407  -9.346
   55    HB2  GLU   8           2HB      GLU   8  -2.695   3.096  -8.259
   56    HB3  GLU   8           1HB      GLU   8  -2.136   1.455  -8.517
   57    HG2  GLU   8           2HG      GLU   8  -3.379   3.281 -10.563
   58    HG3  GLU   8           1HG      GLU   8  -1.679   2.830 -10.448
   59    H    SER   9           H        SER   9  -3.794  -0.678  -9.189
   60    HA   SER   9           HA       SER   9  -4.325  -1.932  -6.619
   61    HB2  SER   9           2HB      SER   9  -3.613  -3.166  -9.295
   62    HB3  SER   9           1HB      SER   9  -4.173  -4.036  -7.864
   63    HG   SER   9           HG       SER   9  -5.881  -3.624  -9.335
   64    H    GLY  10           H        GLY  10  -2.753  -2.419  -5.224
   65    HA2  GLY  10           2HA      GLY  10  -0.450  -3.215  -4.864
   66    HA3  GLY  10           1HA      GLY  10   0.032  -2.196  -6.215
   67    H    GLN  11           H        GLN  11  -2.229  -0.443  -4.757
   68    HA   GLN  11           HA       GLN  11  -0.323   1.063  -3.150
   69    HB2  GLN  11           2HB      GLN  11  -2.893   1.625  -4.452
   70    HB3  GLN  11           1HB      GLN  11  -2.773   2.306  -2.829
   71    HG2  GLN  11           2HG      GLN  11  -1.674   4.002  -3.736
   72    HG3  GLN  11           1HG      GLN  11  -0.335   2.895  -4.013
   73   HE21  GLN  11          1HE2      GLN  11  -2.925   4.664  -5.405
   74   HE22  GLN  11          2HE2      GLN  11  -2.512   4.385  -7.061
   75    H    ASN  12           H        ASN  12  -1.268   1.913  -0.979
   76    HA   ASN  12           HA       ASN  12  -2.985  -0.061   0.290
   77    HB2  ASN  12           2HB      ASN  12  -1.402  -0.031   2.301
   78    HB3  ASN  12           1HB      ASN  12  -1.019  -1.071   0.943
   79   HD21  ASN  12          1HD2      ASN  12   1.123  -1.164   1.564
   80   HD22  ASN  12          2HD2      ASN  12   2.211   0.160   1.318
   81    H    LEU  13           H        LEU  13  -1.062   2.818   1.049
   82    HA   LEU  13           HA       LEU  13  -2.655   3.775   3.131
   83    HB2  LEU  13           2HB      LEU  13  -0.722   5.147   1.288
   84    HB3  LEU  13           1HB      LEU  13  -1.542   6.005   2.580
   85    HG   LEU  13           HG       LEU  13   0.174   3.570   3.025
   86   HD11  LEU  13          1HD1      LEU  13   1.548   5.354   2.129
   87   HD12  LEU  13          2HD1      LEU  13   1.873   5.143   3.850
   88   HD13  LEU  13          3HD1      LEU  13   0.876   6.489   3.298
   89   HD21  LEU  13          3HD2      LEU  13  -1.471   3.964   4.772
   90   HD22  LEU  13          1HD2      LEU  13  -0.947   5.642   4.908
   91   HD23  LEU  13          2HD2      LEU  13   0.149   4.338   5.360
   92    H    CYS  14           H        CYS  14  -4.643   3.207   1.962
   93    HA   CYS  14           HA       CYS  14  -5.993   5.650   1.173
   94    HB2  CYS  14           2HB      CYS  14  -7.051   4.139  -0.763
   95    HB3  CYS  14           1HB      CYS  14  -5.633   5.136  -1.030
   96    HG   CYS  14           HG       CYS  14  -4.762   2.152   0.086
   97    H    LEU  15           H        LEU  15  -8.436   5.204   1.009
   98    HA   LEU  15           HA       LEU  15  -9.212   3.389   3.123
   99    HB2  LEU  15           2HB      LEU  15 -11.293   4.382   1.275
  100    HB3  LEU  15           1HB      LEU  15 -11.304   4.286   3.022
  101    HG   LEU  15           HG       LEU  15  -9.834   6.415   1.458
  102   HD11  LEU  15          1HD1      LEU  15 -12.243   6.606   1.126
  103   HD12  LEU  15          2HD1      LEU  15 -11.637   7.912   2.146
  104   HD13  LEU  15          3HD1      LEU  15 -12.495   6.550   2.871
  105   HD21  LEU  15          3HD2      LEU  15 -10.481   6.143   4.388
  106   HD22  LEU  15          1HD2      LEU  15  -9.737   7.552   3.632
  107   HD23  LEU  15          2HD2      LEU  15  -8.886   6.009   3.647
  108    H    CYS  16           H        CYS  16  -8.491   1.477   2.324
  109    HA   CYS  16           HA       CYS  16  -9.125   0.496  -0.246
  110    HB2  CYS  16           2HB      CYS  16  -7.989  -0.718   2.243
  111    HB3  CYS  16           1HB      CYS  16  -8.166  -1.625   0.754
  112    HG   CYS  16           HG       CYS  16  -6.640   1.075  -0.098
  113    H    GLU  17           H        GLU  17  -9.811  -1.126   2.773
  114    HA   GLU  17           HA       GLU  17 -12.119  -2.427   1.579
  115    HB2  GLU  17           2HB      GLU  17 -10.237  -3.395   3.139
  116    HB3  GLU  17           1HB      GLU  17 -11.298  -2.757   4.384
  117    HG2  GLU  17           2HG      GLU  17 -12.254  -4.669   2.279
  118    HG3  GLU  17           1HG      GLU  17 -11.555  -5.213   3.800
  119    H    GLY  18           H        GLY  18 -14.069  -1.763   1.900
  120    HA2  GLY  18           2HA      GLY  18 -15.813  -0.387   2.523
  121    HA3  GLY  18           1HA      GLY  18 -15.293  -0.765   4.161
  122    H    SER  19           H        SER  19 -14.021   0.691   5.292
  123    HA   SER  19           HA       SER  19 -13.273   3.170   3.908
  124    HB2  SER  19           2HB      SER  19 -13.735   4.117   6.344
  125    HB3  SER  19           1HB      SER  19 -14.990   4.077   5.108
  126    HG   SER  19           HG       SER  19 -15.627   2.024   6.026
  127    H    ASN  20           H        ASN  20 -11.989   0.566   5.131
  128    HA   ASN  20           HA       ASN  20 -10.295   1.530   7.216
  129    HB2  ASN  20           2HB      ASN  20 -10.195  -0.964   5.520
  130    HB3  ASN  20           1HB      ASN  20  -9.012  -0.609   6.777
  131   HD21  ASN  20          1HD2      ASN  20 -12.310  -1.416   6.093
  132   HD22  ASN  20          2HD2      ASN  20 -12.745  -1.826   7.711
  133    H    VAL  21           H        VAL  21  -8.515   2.595   7.094
  134    HA   VAL  21           HA       VAL  21  -7.399   3.216   4.467
  135    HB   VAL  21           HB       VAL  21  -6.288   4.240   7.066
  136   HG11  VAL  21          1HG1      VAL  21  -5.687   6.171   5.683
  137   HG12  VAL  21          2HG1      VAL  21  -6.392   5.364   4.281
  138   HG13  VAL  21          3HG1      VAL  21  -4.989   4.665   5.091
  139   HG21  VAL  21          3HG2      VAL  21  -8.619   4.715   7.279
  140   HG22  VAL  21          1HG2      VAL  21  -8.706   5.288   5.617
  141   HG23  VAL  21          2HG2      VAL  21  -7.804   6.208   6.815
  142    H    CYS  22           H        CYS  22  -6.317   1.398   3.826
  143    HA   CYS  22           HA       CYS  22  -4.804  -0.183   5.595
  144    HB2  CYS  22           2HB      CYS  22  -5.597  -0.380   2.871
  145    HB3  CYS  22           1HB      CYS  22  -3.849  -0.543   2.921
  146    HG   CYS  22           HG       CYS  22  -5.834  -2.371   5.002
  147    H    GLY  23           H        GLY  23  -2.481  -0.529   5.571
  148    HA2  GLY  23           2HA      GLY  23  -0.994   1.904   4.825
  149    HA3  GLY  23           1HA      GLY  23  -0.821   1.191   6.422
  150    H    GLN  24           H        GLN  24   1.421   0.863   6.050
  151    HA   GLN  24           HA       GLN  24   2.168  -0.750   3.764
  152    HB2  GLN  24           2HB      GLN  24   3.885   0.490   5.923
  153    HB3  GLN  24           1HB      GLN  24   4.484  -0.321   4.480
  154    HG2  GLN  24           2HG      GLN  24   3.268   1.393   3.120
  155    HG3  GLN  24           1HG      GLN  24   2.925   2.247   4.622
  156   HE21  GLN  24          1HE2      GLN  24   5.536   1.471   5.752
  157   HE22  GLN  24          2HE2      GLN  24   6.698   2.495   4.975
  158    H    GLY  25           H        GLY  25   2.847  -2.792   3.848
  159    HA2  GLY  25           2HA      GLY  25   3.435  -4.779   5.186
  160    HA3  GLY  25           1HA      GLY  25   2.296  -4.182   6.397
  161    H    ASN  26           H        ASN  26   0.515  -3.201   4.239
  162    HA   ASN  26           HA       ASN  26  -0.440  -5.777   3.171
  163    HB2  ASN  26           2HB      ASN  26  -2.021  -3.301   3.891
  164    HB3  ASN  26           1HB      ASN  26  -2.688  -4.675   3.018
  165   HD21  ASN  26          1HD2      ASN  26  -3.576  -3.635   5.516
  166   HD22  ASN  26          2HD2      ASN  26  -3.374  -4.888   6.701
  167    H    LYS  27           H        LYS  27  -1.441  -5.689   1.082
  168    HA   LYS  27           HA       LYS  27  -0.754  -3.344  -0.544
  169    HB2  LYS  27           2HB      LYS  27   0.954  -5.044  -0.983
  170    HB3  LYS  27           1HB      LYS  27  -0.294  -6.237  -1.318
  171    HG2  LYS  27           2HG      LYS  27  -0.637  -5.486  -3.401
  172    HG3  LYS  27           1HG      LYS  27  -0.450  -3.793  -2.935
  173    HD2  LYS  27           2HD      LYS  27   1.349  -4.357  -4.401
  174    HD3  LYS  27           1HD      LYS  27   2.002  -4.182  -2.772
  175    HE2  LYS  27           2HE      LYS  27   3.001  -6.103  -3.808
  176    HE3  LYS  27           1HE      LYS  27   1.923  -6.645  -2.523
  177    HZ1  LYS  27           3HZ      LYS  27   1.911  -7.734  -4.897
  178    HZ2  LYS  27           1HZ      LYS  27   0.832  -6.470  -5.235
  179    HZ3  LYS  27           2HZ      LYS  27   0.487  -7.580  -3.996
  180    H    CYS  28           H        CYS  28  -2.592  -2.560  -1.312
  181    HA   CYS  28           HA       CYS  28  -4.952  -4.254  -1.340
  182    HB2  CYS  28           2HB      CYS  28  -5.048  -2.054  -0.258
  183    HB3  CYS  28           1HB      CYS  28  -4.625  -1.284  -1.782
  184    HG   CYS  28           HG       CYS  28  -7.573  -2.596  -0.791
  185    H    ILE  29           H        ILE  29  -5.884  -5.003  -3.122
  186    HA   ILE  29           HA       ILE  29  -5.035  -3.891  -5.705
  187    HB   ILE  29           HB       ILE  29  -5.497  -6.255  -6.601
  188   HG12  ILE  29          2HG1      ILE  29  -4.977  -6.896  -3.695
  189   HG13  ILE  29          1HG1      ILE  29  -6.530  -7.087  -4.505
  190   HG21  ILE  29          1HG2      ILE  29  -3.081  -5.742  -4.863
  191   HG22  ILE  29          2HG2      ILE  29  -3.285  -5.228  -6.537
  192   HG23  ILE  29          3HG2      ILE  29  -3.188  -6.944  -6.150
  193   HD11  ILE  29          3HD1      ILE  29  -5.397  -9.216  -4.310
  194   HD12  ILE  29          1HD1      ILE  29  -3.989  -8.568  -5.153
  195   HD13  ILE  29          2HD1      ILE  29  -5.521  -8.748  -6.006
  196    H    LEU  30           H        LEU  30  -6.577  -3.164  -6.902
  197    HA   LEU  30           HA       LEU  30  -9.354  -3.549  -6.272
  198    HB2  LEU  30           2HB      LEU  30  -7.995  -2.015  -8.499
  199    HB3  LEU  30           1HB      LEU  30  -9.712  -1.970  -8.145
  200    HG   LEU  30           HG       LEU  30  -7.707  -1.173  -6.067
  201   HD11  LEU  30          1HD1      LEU  30  -7.938   1.146  -6.823
  202   HD12  LEU  30          2HD1      LEU  30  -8.886   0.600  -8.207
  203   HD13  LEU  30          3HD1      LEU  30  -7.189   0.140  -8.063
  204   HD21  LEU  30          3HD2      LEU  30  -9.571   0.175  -5.253
  205   HD22  LEU  30          1HD2      LEU  30 -10.013  -1.528  -5.369
  206   HD23  LEU  30          2HD2      LEU  30 -10.568  -0.387  -6.595
  207    H    GLY  31           H        GLY  31 -10.243  -5.401  -6.907
  208    HA2  GLY  31           2HA      GLY  31  -9.503  -6.504  -9.530
  209    HA3  GLY  31           1HA      GLY  31 -10.338  -7.377  -8.249
  210    H    ARG  32           H        ARG  32 -12.447  -7.617  -8.460
  211    HA   ARG  32           HA       ARG  32 -14.174  -5.587  -9.441
  212    HB2  ARG  32           2HB      ARG  32 -15.000  -6.782 -11.441
  213    HB3  ARG  32           1HB      ARG  32 -13.325  -6.279 -11.614
  214    HG2  ARG  32           2HG      ARG  32 -12.624  -8.576 -11.024
  215    HG3  ARG  32           1HG      ARG  32 -14.323  -9.050 -10.997
  216    HD2  ARG  32           2HD      ARG  32 -12.846  -7.909 -13.365
  217    HD3  ARG  32           1HD      ARG  32 -13.254  -9.607 -13.130
  218    HE   ARG  32           HE       ARG  32 -15.641  -8.229 -12.953
  219   HH11  ARG  32          1HH1      ARG  32 -13.127  -8.623 -15.362
  220   HH12  ARG  32          2HH1      ARG  32 -14.221  -8.474 -16.701
  221   HH21  ARG  32          1HH2      ARG  32 -17.068  -7.994 -14.724
  222   HH22  ARG  32          2HH2      ARG  32 -16.449  -8.116 -16.346
  223    H    GLY  33           H        GLY  33 -16.445  -6.342  -9.494
  224    HA2  GLY  33           2HA      GLY  33 -18.213  -7.593  -8.710
  225    HA3  GLY  33           1HA      GLY  33 -17.113  -8.957  -8.562
  226    H    ASP  34           H        ASP  34 -16.952  -9.704  -6.576
  227    HA   ASP  34           HA       ASP  34 -17.555  -7.944  -4.323
  228    HB2  ASP  34           2HB      ASP  34 -17.688  -9.927  -2.974
  229    HB3  ASP  34           1HB      ASP  34 -18.550 -10.252  -4.475
  230    H    SER  35           H        SER  35 -14.936  -8.794  -6.112
  231    HA   SER  35           HA       SER  35 -13.071  -8.446  -3.858
  232    HB2  SER  35           2HB      SER  35 -12.905 -10.614  -5.121
  233    HB3  SER  35           1HB      SER  35 -12.497  -9.688  -6.564
  234    HG   SER  35           HG       SER  35 -10.632  -8.980  -5.560
  235    H    LYS  36           H        LYS  36 -14.457  -6.323  -5.138
  236    HA   LYS  36           HA       LYS  36 -12.979  -5.067  -7.176
  237    HB2  LYS  36           2HB      LYS  36 -14.242  -2.981  -6.404
  238    HB3  LYS  36           1HB      LYS  36 -15.199  -4.346  -6.946
  239    HG2  LYS  36           2HG      LYS  36 -16.284  -3.475  -5.038
  240    HG3  LYS  36           1HG      LYS  36 -15.503  -4.962  -4.516
  241    HD2  LYS  36           2HD      LYS  36 -13.611  -3.574  -3.657
  242    HD3  LYS  36           1HD      LYS  36 -14.558  -2.140  -4.049
  243    HE2  LYS  36           2HE      LYS  36 -15.445  -4.327  -2.172
  244    HE3  LYS  36           1HE      LYS  36 -14.706  -2.811  -1.663
  245    HZ1  LYS  36           3HZ      LYS  36 -16.573  -1.653  -2.768
  246    HZ2  LYS  36           1HZ      LYS  36 -17.061  -2.626  -1.467
  247    HZ3  LYS  36           2HZ      LYS  36 -17.302  -3.148  -3.065
  248    H    ASN  37           H        ASN  37 -12.396  -5.313  -3.852
  249    HA   ASN  37           HA       ASN  37  -9.964  -3.801  -4.013
  250    HB2  ASN  37           2HB      ASN  37 -11.740  -2.141  -3.321
  251    HB3  ASN  37           1HB      ASN  37 -12.027  -3.138  -1.896
  252   HD21  ASN  37          1HD2      ASN  37 -10.126  -0.743  -3.312
  253   HD22  ASN  37          2HD2      ASN  37  -8.969  -0.581  -2.049
  254    H    GLN  38           H        GLN  38  -8.458  -4.936  -2.822
  255    HA   GLN  38           HA       GLN  38  -9.368  -6.431  -0.502
  256    HB2  GLN  38           2HB      GLN  38  -9.482  -7.770  -2.737
  257    HB3  GLN  38           1HB      GLN  38  -7.751  -7.907  -2.543
  258    HG2  GLN  38           2HG      GLN  38  -9.806  -8.835  -0.546
  259    HG3  GLN  38           1HG      GLN  38  -9.017  -9.868  -1.732
  260   HE21  GLN  38          1HE2      GLN  38  -8.787  -8.335   1.312
  261   HE22  GLN  38          2HE2      GLN  38  -7.220  -8.925   1.748
  262    H    CYS  39           H        CYS  39  -8.001  -6.141   1.036
  263    HA   CYS  39           HA       CYS  39  -5.318  -5.185   0.525
  264    HB2  CYS  39           2HB      CYS  39  -6.860  -5.589   3.076
  265    HB3  CYS  39           1HB      CYS  39  -5.234  -4.932   2.996
  266    HG   CYS  39           HG       CYS  39  -5.885  -2.499   2.486
  267    H    VAL  40           H        VAL  40  -4.171  -6.950  -0.228
  268    HA   VAL  40           HA       VAL  40  -4.112  -9.391   1.356
  269    HB   VAL  40           HB       VAL  40  -4.048  -9.265  -1.200
  270   HG11  VAL  40          1HG1      VAL  40  -2.350  -7.546  -1.423
  271   HG12  VAL  40          2HG1      VAL  40  -1.859  -9.029  -2.242
  272   HG13  VAL  40          3HG1      VAL  40  -1.155  -8.609  -0.679
  273   HG21  VAL  40          3HG2      VAL  40  -2.550 -11.220  -1.372
  274   HG22  VAL  40          1HG2      VAL  40  -3.663 -11.333  -0.008
  275   HG23  VAL  40          2HG2      VAL  40  -1.976 -10.897   0.264
  276    H    THR  41           H        THR  41  -1.939 -10.236   2.071
  277    HA   THR  41           HA       THR  41  -0.608  -8.040   3.418
  278    HB   THR  41           HB       THR  41   0.578  -9.949   4.638
  279    HG1  THR  41           HG1      THR  41  -1.179 -11.829   4.386
  280   HG21  THR  41          3HG2      THR  41  -2.428  -9.713   4.821
  281   HG22  THR  41          1HG2      THR  41  -1.257  -8.657   5.610
  282   HG23  THR  41          2HG2      THR  41  -1.371 -10.355   6.079
  283    H    GLY  42           H        GLY  42   1.272  -7.248   2.884
  284    HA2  GLY  42           2HA      GLY  42   3.515  -8.590   1.947
  285    HA3  GLY  42           1HA      GLY  42   2.631  -8.036   0.530
  286    H    GLU  43           H        GLU  43   3.506  -6.209  -0.231
  287    HA   GLU  43           HA       GLU  43   3.575  -3.959   1.587
  288    HB2  GLU  43           2HB      GLU  43   5.811  -3.218   0.881
  289    HB3  GLU  43           1HB      GLU  43   5.855  -4.724   1.780
  290    HG2  GLU  43           2HG      GLU  43   6.138  -5.970  -0.289
  291    HG3  GLU  43           1HG      GLU  43   6.059  -4.467  -1.212
  292    H    GLY  44           H        GLY  44   2.644  -2.307   0.676
  293    HA2  GLY  44           2HA      GLY  44   2.318  -2.349  -2.248
  294    HA3  GLY  44           1HA      GLY  44   1.189  -1.617  -1.119
  295    H    THR  45           H        THR  45   1.197   0.394  -1.993
  296    HA   THR  45           HA       THR  45   3.607   1.977  -1.567
  297    HB   THR  45           HB       THR  45   2.363   2.865  -3.996
  298    HG1  THR  45           HG1      THR  45   1.923   0.431  -3.959
  299   HG21  THR  45          3HG2      THR  45   4.652   3.384  -3.339
  300   HG22  THR  45          1HG2      THR  45   4.633   2.558  -4.898
  301   HG23  THR  45          2HG2      THR  45   5.085   1.677  -3.438
  302    HA   PRO  46           HA       PRO  46   0.676   4.933   0.065
  303    HB2  PRO  46           2HB      PRO  46   2.627   6.901  -1.014
  304    HB3  PRO  46           1HB      PRO  46   1.967   6.755   0.618
  305    HG2  PRO  46           2HG      PRO  46   4.466   6.006   0.108
  306    HG3  PRO  46           1HG      PRO  46   3.445   5.050   1.199
  307    HD2  PRO  46           2HD      PRO  46   4.190   4.521  -1.649
  308    HD3  PRO  46           1HD      PRO  46   4.044   3.386  -0.290
  309    H    LYS  47           H        LYS  47  -0.945   6.263  -0.776
  310    HA   LYS  47           HA       LYS  47  -1.276   5.954  -3.644
  311    HB2  LYS  47           2HB      LYS  47  -3.026   5.424  -1.811
  312    HB3  LYS  47           1HB      LYS  47  -3.294   7.163  -1.780
  313    HG2  LYS  47           2HG      LYS  47  -3.495   6.792  -4.393
  314    HG3  LYS  47           1HG      LYS  47  -3.947   5.174  -3.865
  315    HD2  LYS  47           2HD      LYS  47  -6.015   6.060  -3.735
  316    HD3  LYS  47           1HD      LYS  47  -5.440   6.680  -2.187
  317    HE2  LYS  47           2HE      LYS  47  -5.339   8.172  -4.811
  318    HE3  LYS  47           1HE      LYS  47  -6.552   8.406  -3.555
  319    HZ1  LYS  47           3HZ      LYS  47  -4.812   9.131  -2.052
  320    HZ2  LYS  47           1HZ      LYS  47  -4.815  10.078  -3.451
  321    HZ3  LYS  47           2HZ      LYS  47  -3.635   8.889  -3.241
  322    HA   PRO  48           HA       PRO  48   0.008  10.269  -4.047
  323    HB2  PRO  48           2HB      PRO  48  -0.041   9.752  -6.909
  324    HB3  PRO  48           1HB      PRO  48   1.343  10.105  -5.872
  325    HG2  PRO  48           2HG      PRO  48   0.921   7.677  -7.028
  326    HG3  PRO  48           1HG      PRO  48   1.791   7.896  -5.501
  327    HD2  PRO  48           2HD      PRO  48  -1.026   7.014  -5.968
  328    HD3  PRO  48           1HD      PRO  48   0.155   6.437  -4.773
  329    H    GLN  49           H        GLN  49  -0.773  12.084  -5.373
  330    HA   GLN  49           HA       GLN  49  -3.378  11.824  -6.592
  331    HB2  GLN  49           2HB      GLN  49  -4.259  13.649  -4.954
  332    HB3  GLN  49           1HB      GLN  49  -4.293  11.957  -4.486
  333    HG2  GLN  49           2HG      GLN  49  -2.238  12.252  -3.228
  334    HG3  GLN  49           1HG      GLN  49  -2.191  13.950  -3.681
  335   HE21  GLN  49          1HE2      GLN  49  -2.298  12.784  -1.043
  336   HE22  GLN  49          2HE2      GLN  49  -3.730  13.395  -0.293
  337    H    SER  50           H        SER  50  -0.718  13.801  -5.504
  338    HA   SER  50           HA       SER  50  -1.426  15.841  -7.502
  339    HB2  SER  50           2HB      SER  50  -1.011  16.600  -5.147
  340    HB3  SER  50           1HB      SER  50   0.645  16.012  -5.297
  341    HG   SER  50           HG       SER  50  -0.613  18.194  -6.553
  342    H    HIS  51           H        HIS  51  -0.063  16.293  -9.198
  343    HA   HIS  51           HA       HIS  51   1.856  14.216  -9.836
  344    HB2  HIS  51           2HB      HIS  51   1.097  16.731 -11.339
  345    HB3  HIS  51           1HB      HIS  51   2.157  15.478 -11.963
  346    HD1  HIS  51           HD1      HIS  51   0.942  14.224 -13.711
  347    HD2  HIS  51           HD2      HIS  51  -1.540  15.202 -10.518
  348    HE1  HIS  51           HE1      HIS  51  -1.279  13.170 -14.227
  349    HE2  HIS  51           HE2      HIS  51  -2.818  13.986 -12.410
  Start of MODEL   13
    1    H1   VAL   1           1H       VAL   1  -6.408  16.623   6.314
    2    H2   VAL   1           2H       VAL   1  -5.891  16.434   7.909
    3    H3   VAL   1           3H       VAL   1  -7.549  16.444   7.556
    4    HA   VAL   1           HA       VAL   1  -5.555  14.374   6.875
    5    HB   VAL   1           HB       VAL   1  -8.167  14.114   8.321
    6   HG11  VAL   1          1HG1      VAL   1  -7.277  11.954   9.051
    7   HG12  VAL   1          2HG1      VAL   1  -5.817  12.245   8.103
    8   HG13  VAL   1          3HG1      VAL   1  -7.373  12.062   7.292
    9   HG21  VAL   1          3HG2      VAL   1  -5.410  14.387   9.495
   10   HG22  VAL   1          1HG2      VAL   1  -6.860  13.949  10.398
   11   HG23  VAL   1          2HG2      VAL   1  -6.735  15.539   9.646
   12    H    VAL   2           H        VAL   2  -5.897  14.741   4.591
   13    HA   VAL   2           HA       VAL   2  -8.547  13.906   3.631
   14    HB   VAL   2           HB       VAL   2  -6.343  15.293   2.093
   15   HG11  VAL   2          1HG1      VAL   2  -7.755  13.923   0.663
   16   HG12  VAL   2          2HG1      VAL   2  -8.061  15.636   0.378
   17   HG13  VAL   2          3HG1      VAL   2  -9.198  14.684   1.332
   18   HG21  VAL   2          3HG2      VAL   2  -7.758  17.279   2.182
   19   HG22  VAL   2          1HG2      VAL   2  -7.304  16.751   3.802
   20   HG23  VAL   2          2HG2      VAL   2  -8.922  16.414   3.186
   21    H    TYR   3           H        TYR   3  -8.213  11.666   3.901
   22    HA   TYR   3           HA       TYR   3  -6.232  10.488   2.084
   23    HB2  TYR   3           2HB      TYR   3  -7.961   9.268   4.241
   24    HB3  TYR   3           1HB      TYR   3  -7.085   8.290   3.071
   25    HD1  TYR   3           HD2      TYR   3  -6.460  11.052   5.522
   26    HD2  TYR   3           HD1      TYR   3  -4.974   7.539   3.642
   27    HE1  TYR   3           HE2      TYR   3  -4.447  11.151   6.933
   28    HE2  TYR   3           HE1      TYR   3  -2.957   7.633   5.042
   29    HH   TYR   3           HH       TYR   3  -1.660   9.421   6.304
   30    H    THR   4           H        THR   4  -7.061   8.659   0.723
   31    HA   THR   4           HA       THR   4  -9.761   9.215  -0.255
   32    HB   THR   4           HB       THR   4  -8.799   8.939  -2.608
   33    HG1  THR   4           HG1      THR   4  -6.380   9.862  -1.468
   34   HG21  THR   4          3HG2      THR   4  -9.616  11.086  -1.757
   35   HG22  THR   4          1HG2      THR   4  -8.205  11.305  -2.793
   36   HG23  THR   4          2HG2      THR   4  -8.036  11.406  -1.041
   37    H    ASP   5           H        ASP   5 -10.239   7.490  -2.071
   38    HA   ASP   5           HA       ASP   5  -9.731   4.908  -0.832
   39    HB2  ASP   5           2HB      ASP   5 -11.450   5.684  -3.208
   40    HB3  ASP   5           1HB      ASP   5 -11.363   4.070  -2.517
   41    H    CYS   6           H        CYS   6  -8.879   3.125  -2.040
   42    HA   CYS   6           HA       CYS   6  -6.549   3.761  -3.456
   43    HB2  CYS   6           2HB      CYS   6  -7.993   1.133  -3.662
   44    HB3  CYS   6           1HB      CYS   6  -6.263   1.442  -3.782
   45    HG   CYS   6           HG       CYS   6  -5.712   1.506  -1.215
   46    H    THR   7           H        THR   7  -6.106   4.038  -5.563
   47    HA   THR   7           HA       THR   7  -8.396   3.804  -7.409
   48    HB   THR   7           HB       THR   7  -6.014   5.653  -7.582
   49    HG1  THR   7           HG1      THR   7  -8.700   6.080  -6.726
   50   HG21  THR   7          3HG2      THR   7  -6.965   5.139  -9.783
   51   HG22  THR   7          1HG2      THR   7  -7.314   6.807  -9.328
   52   HG23  THR   7          2HG2      THR   7  -8.571   5.576  -9.199
   53    H    GLU   8           H        GLU   8  -5.360   2.628  -6.616
   54    HA   GLU   8           HA       GLU   8  -5.034   1.387  -9.249
   55    HB2  GLU   8           2HB      GLU   8  -2.966   2.849  -7.626
   56    HB3  GLU   8           1HB      GLU   8  -2.533   1.742  -8.907
   57    HG2  GLU   8           2HG      GLU   8  -3.705   3.112 -10.528
   58    HG3  GLU   8           1HG      GLU   8  -4.257   4.185  -9.243
   59    H    SER   9           H        SER   9  -3.900  -0.612  -9.212
   60    HA   SER   9           HA       SER   9  -4.356  -2.022  -6.707
   61    HB2  SER   9           2HB      SER   9  -3.494  -3.116  -9.403
   62    HB3  SER   9           1HB      SER   9  -4.056  -4.058  -8.018
   63    HG   SER   9           HG       SER   9  -5.537  -2.207  -9.573
   64    H    GLY  10           H        GLY  10  -2.785  -2.547  -5.326
   65    HA2  GLY  10           2HA      GLY  10  -0.500  -3.273  -4.918
   66    HA3  GLY  10           1HA      GLY  10   0.005  -2.261  -6.267
   67    H    GLN  11           H        GLN  11  -2.275  -0.502  -4.852
   68    HA   GLN  11           HA       GLN  11  -0.357   1.075  -3.328
   69    HB2  GLN  11           2HB      GLN  11  -2.845   1.600  -4.738
   70    HB3  GLN  11           1HB      GLN  11  -2.867   2.289  -3.113
   71    HG2  GLN  11           2HG      GLN  11  -1.718   3.986  -3.901
   72    HG3  GLN  11           1HG      GLN  11  -0.352   2.912  -4.142
   73   HE21  GLN  11          1HE2      GLN  11  -2.967   4.636  -5.593
   74   HE22  GLN  11          2HE2      GLN  11  -2.432   4.462  -7.233
   75    H    ASN  12           H        ASN  12  -1.051   1.912  -1.144
   76    HA   ASN  12           HA       ASN  12  -2.790   0.005   0.227
   77    HB2  ASN  12           2HB      ASN  12  -1.094   0.075   2.171
   78    HB3  ASN  12           1HB      ASN  12  -0.830  -1.016   0.825
   79   HD21  ASN  12          1HD2      ASN  12   1.329  -1.156   1.287
   80   HD22  ASN  12          2HD2      ASN  12   2.440   0.120   0.920
   81    H    LEU  13           H        LEU  13  -0.842   2.898   0.888
   82    HA   LEU  13           HA       LEU  13  -2.322   3.794   3.087
   83    HB2  LEU  13           2HB      LEU  13  -0.509   5.221   1.165
   84    HB3  LEU  13           1HB      LEU  13  -1.252   6.041   2.526
   85    HG   LEU  13           HG       LEU  13   0.485   3.595   2.829
   86   HD11  LEU  13          1HD1      LEU  13   1.220   6.512   2.995
   87   HD12  LEU  13          2HD1      LEU  13   1.840   5.321   1.853
   88   HD13  LEU  13          3HD1      LEU  13   2.235   5.188   3.565
   89   HD21  LEU  13          3HD2      LEU  13  -1.083   4.092   4.670
   90   HD22  LEU  13          1HD2      LEU  13  -0.374   5.699   4.813
   91   HD23  LEU  13          2HD2      LEU  13   0.605   4.270   5.151
   92    H    CYS  14           H        CYS  14  -4.369   3.221   1.894
   93    HA   CYS  14           HA       CYS  14  -5.792   5.679   1.385
   94    HB2  CYS  14           2HB      CYS  14  -6.826   4.361  -0.720
   95    HB3  CYS  14           1HB      CYS  14  -5.462   5.468  -0.869
   96    HG   CYS  14           HG       CYS  14  -4.289   2.524  -0.110
   97    H    LEU  15           H        LEU  15  -8.246   5.048   0.997
   98    HA   LEU  15           HA       LEU  15  -8.923   3.116   3.050
   99    HB2  LEU  15           2HB      LEU  15 -11.023   4.266   1.269
  100    HB3  LEU  15           1HB      LEU  15 -11.080   3.929   2.980
  101    HG   LEU  15           HG       LEU  15  -9.619   6.262   1.743
  102   HD11  LEU  15          1HD1      LEU  15 -11.431   7.610   2.679
  103   HD12  LEU  15          2HD1      LEU  15 -12.251   6.138   3.205
  104   HD13  LEU  15          3HD1      LEU  15 -12.035   6.458   1.485
  105   HD21  LEU  15          3HD2      LEU  15 -10.227   5.588   4.617
  106   HD22  LEU  15          1HD2      LEU  15  -9.451   7.063   4.041
  107   HD23  LEU  15          2HD2      LEU  15  -8.642   5.509   3.845
  108    H    CYS  16           H        CYS  16  -8.725   1.048   2.471
  109    HA   CYS  16           HA       CYS  16  -9.480   0.259  -0.220
  110    HB2  CYS  16           2HB      CYS  16  -7.319  -0.533   0.500
  111    HB3  CYS  16           1HB      CYS  16  -8.021  -1.226   1.953
  112    HG   CYS  16           HG       CYS  16  -9.279  -3.321   0.765
  113    H    GLU  17           H        GLU  17  -9.799  -1.112   3.005
  114    HA   GLU  17           HA       GLU  17 -12.153  -2.579   2.148
  115    HB2  GLU  17           2HB      GLU  17 -10.085  -3.011   3.965
  116    HB3  GLU  17           1HB      GLU  17 -11.570  -2.862   4.906
  117    HG2  GLU  17           2HG      GLU  17 -10.970  -5.188   4.229
  118    HG3  GLU  17           1HG      GLU  17 -12.567  -4.658   3.696
  119    H    GLY  18           H        GLY  18 -13.935  -1.592   2.242
  120    HA2  GLY  18           2HA      GLY  18 -15.598  -0.077   2.750
  121    HA3  GLY  18           1HA      GLY  18 -15.241  -0.513   4.416
  122    H    SER  19           H        SER  19 -13.890   0.778   5.637
  123    HA   SER  19           HA       SER  19 -13.192   3.404   4.493
  124    HB2  SER  19           2HB      SER  19 -13.538   4.034   7.039
  125    HB3  SER  19           1HB      SER  19 -14.905   3.994   5.925
  126    HG   SER  19           HG       SER  19 -15.720   2.509   7.159
  127    H    ASN  20           H        ASN  20 -11.895   0.637   5.521
  128    HA   ASN  20           HA       ASN  20 -10.050   1.463   7.528
  129    HB2  ASN  20           2HB      ASN  20 -10.164  -0.971   5.742
  130    HB3  ASN  20           1HB      ASN  20  -8.897  -0.726   6.936
  131   HD21  ASN  20          1HD2      ASN  20 -12.107   0.392   7.603
  132   HD22  ASN  20          2HD2      ASN  20 -12.520  -0.833   8.750
  133    H    VAL  21           H        VAL  21  -8.245   2.540   7.314
  134    HA   VAL  21           HA       VAL  21  -7.191   3.105   4.664
  135    HB   VAL  21           HB       VAL  21  -5.924   4.027   7.229
  136   HG11  VAL  21          1HG1      VAL  21  -5.301   5.966   5.855
  137   HG12  VAL  21          2HG1      VAL  21  -6.100   5.220   4.473
  138   HG13  VAL  21          3HG1      VAL  21  -4.696   4.444   5.200
  139   HG21  VAL  21          3HG2      VAL  21  -8.298   5.307   5.897
  140   HG22  VAL  21          1HG2      VAL  21  -7.342   6.034   7.185
  141   HG23  VAL  21          2HG2      VAL  21  -8.268   4.563   7.491
  142    H    CYS  22           H        CYS  22  -6.004   1.475   3.850
  143    HA   CYS  22           HA       CYS  22  -4.425  -0.225   5.504
  144    HB2  CYS  22           2HB      CYS  22  -5.303  -0.275   2.797
  145    HB3  CYS  22           1HB      CYS  22  -3.547  -0.371   2.788
  146    HG   CYS  22           HG       CYS  22  -5.785  -2.595   3.986
  147    H    GLY  23           H        GLY  23  -2.079  -0.438   5.383
  148    HA2  GLY  23           2HA      GLY  23  -0.691   2.020   4.570
  149    HA3  GLY  23           1HA      GLY  23  -0.532   1.458   6.229
  150    H    GLN  24           H        GLN  24   1.637   0.913   6.220
  151    HA   GLN  24           HA       GLN  24   2.670  -0.610   3.983
  152    HB2  GLN  24           2HB      GLN  24   4.045   0.386   6.484
  153    HB3  GLN  24           1HB      GLN  24   4.848  -0.447   5.162
  154    HG2  GLN  24           2HG      GLN  24   3.671   2.304   5.212
  155    HG3  GLN  24           1HG      GLN  24   5.301   1.796   4.764
  156   HE21  GLN  24          1HE2      GLN  24   2.079   2.303   3.707
  157   HE22  GLN  24          2HE2      GLN  24   2.337   1.970   2.030
  158    H    GLY  25           H        GLY  25   3.394  -2.662   4.039
  159    HA2  GLY  25           2HA      GLY  25   3.701  -4.797   5.038
  160    HA3  GLY  25           1HA      GLY  25   2.743  -4.264   6.418
  161    H    ASN  26           H        ASN  26   1.011  -3.015   4.134
  162    HA   ASN  26           HA       ASN  26  -0.328  -5.495   3.287
  163    HB2  ASN  26           2HB      ASN  26  -1.589  -2.904   4.194
  164    HB3  ASN  26           1HB      ASN  26  -2.470  -4.146   3.312
  165   HD21  ASN  26          1HD2      ASN  26  -1.082  -3.222   6.332
  166   HD22  ASN  26          2HD2      ASN  26  -1.700  -4.543   7.257
  167    H    LYS  27           H        LYS  27  -1.544  -5.279   1.304
  168    HA   LYS  27           HA       LYS  27  -0.857  -3.003  -0.385
  169    HB2  LYS  27           2HB      LYS  27   0.888  -4.673  -0.826
  170    HB3  LYS  27           1HB      LYS  27  -0.344  -5.881  -1.168
  171    HG2  LYS  27           2HG      LYS  27  -0.978  -4.835  -3.163
  172    HG3  LYS  27           1HG      LYS  27  -0.158  -3.331  -2.733
  173    HD2  LYS  27           2HD      LYS  27   1.161  -4.461  -4.390
  174    HD3  LYS  27           1HD      LYS  27   2.007  -4.545  -2.843
  175    HE2  LYS  27           2HE      LYS  27   2.194  -6.690  -3.821
  176    HE3  LYS  27           1HE      LYS  27   0.985  -6.833  -2.544
  177    HZ1  LYS  27           3HZ      LYS  27   0.426  -6.541  -5.453
  178    HZ2  LYS  27           1HZ      LYS  27  -0.742  -6.666  -4.233
  179    HZ3  LYS  27           2HZ      LYS  27   0.285  -7.972  -4.545
  180    H    CYS  28           H        CYS  28  -2.729  -2.314  -1.262
  181    HA   CYS  28           HA       CYS  28  -5.017  -4.107  -1.279
  182    HB2  CYS  28           2HB      CYS  28  -5.471  -1.926  -0.405
  183    HB3  CYS  28           1HB      CYS  28  -4.730  -1.146  -1.800
  184    HG   CYS  28           HG       CYS  28  -7.740  -2.740  -1.644
  185    H    ILE  29           H        ILE  29  -5.896  -4.971  -3.054
  186    HA   ILE  29           HA       ILE  29  -4.916  -4.026  -5.654
  187    HB   ILE  29           HB       ILE  29  -5.119  -6.452  -6.425
  188   HG12  ILE  29          2HG1      ILE  29  -4.825  -6.932  -3.457
  189   HG13  ILE  29          1HG1      ILE  29  -6.286  -7.250  -4.386
  190   HG21  ILE  29          1HG2      ILE  29  -2.830  -6.963  -5.723
  191   HG22  ILE  29          2HG2      ILE  29  -2.921  -5.681  -4.516
  192   HG23  ILE  29          3HG2      ILE  29  -2.999  -5.283  -6.232
  193   HD11  ILE  29          3HD1      ILE  29  -5.084  -8.914  -5.704
  194   HD12  ILE  29          1HD1      ILE  29  -5.038  -9.292  -3.983
  195   HD13  ILE  29          2HD1      ILE  29  -3.621  -8.597  -4.771
  196    H    LEU  30           H        LEU  30  -6.467  -3.391  -6.898
  197    HA   LEU  30           HA       LEU  30  -9.214  -3.977  -6.369
  198    HB2  LEU  30           2HB      LEU  30  -7.846  -2.429  -8.574
  199    HB3  LEU  30           1HB      LEU  30  -9.583  -2.621  -8.469
  200    HG   LEU  30           HG       LEU  30  -9.437  -1.509  -6.190
  201   HD11  LEU  30          1HD1      LEU  30  -7.067  -1.782  -5.772
  202   HD12  LEU  30          2HD1      LEU  30  -7.493  -0.071  -5.805
  203   HD13  LEU  30          3HD1      LEU  30  -6.686  -0.805  -7.191
  204   HD21  LEU  30          3HD2      LEU  30 -10.276  -0.379  -8.186
  205   HD22  LEU  30          1HD2      LEU  30  -8.631   0.090  -8.612
  206   HD23  LEU  30          2HD2      LEU  30  -9.377   0.727  -7.147
  207    H    GLY  31           H        GLY  31  -9.682  -6.085  -6.754
  208    HA2  GLY  31           2HA      GLY  31  -8.717  -7.309  -9.222
  209    HA3  GLY  31           1HA      GLY  31  -9.471  -8.144  -7.867
  210    H    ARG  32           H        ARG  32 -11.401  -8.870  -8.245
  211    HA   ARG  32           HA       ARG  32 -13.282  -7.404  -9.900
  212    HB2  ARG  32           2HB      ARG  32 -12.351 -10.198 -10.609
  213    HB3  ARG  32           1HB      ARG  32 -13.754  -9.410 -11.317
  214    HG2  ARG  32           2HG      ARG  32 -10.920  -8.404 -11.525
  215    HG3  ARG  32           1HG      ARG  32 -11.768  -9.325 -12.768
  216    HD2  ARG  32           2HD      ARG  32 -13.263  -7.585 -13.205
  217    HD3  ARG  32           1HD      ARG  32 -12.909  -6.776 -11.680
  218    HE   ARG  32           HE       ARG  32 -10.552  -6.610 -12.886
  219   HH11  ARG  32          1HH1      ARG  32 -13.754  -6.034 -14.187
  220   HH12  ARG  32          2HH1      ARG  32 -13.222  -4.768 -15.261
  221   HH21  ARG  32          1HH2      ARG  32  -9.862  -4.963 -14.285
  222   HH22  ARG  32          2HH2      ARG  32 -11.008  -4.147 -15.304
  223    H    GLY  33           H        GLY  33 -15.457  -8.305  -9.791
  224    HA2  GLY  33           2HA      GLY  33 -17.214  -9.332  -8.737
  225    HA3  GLY  33           1HA      GLY  33 -16.074 -10.538  -8.164
  226    H    ASP  34           H        ASP  34 -15.876 -10.700  -6.094
  227    HA   ASP  34           HA       ASP  34 -16.896  -8.612  -4.333
  228    HB2  ASP  34           2HB      ASP  34 -17.636 -10.820  -3.809
  229    HB3  ASP  34           1HB      ASP  34 -16.008 -11.471  -3.923
  230    H    SER  35           H        SER  35 -13.963  -9.860  -5.536
  231    HA   SER  35           HA       SER  35 -12.343  -8.706  -3.401
  232    HB2  SER  35           2HB      SER  35 -11.846 -10.978  -4.358
  233    HB3  SER  35           1HB      SER  35 -11.460 -10.190  -5.887
  234    HG   SER  35           HG       SER  35  -9.928  -8.904  -4.548
  235    H    LYS  36           H        LYS  36 -13.900  -6.977  -5.090
  236    HA   LYS  36           HA       LYS  36 -12.392  -5.953  -7.233
  237    HB2  LYS  36           2HB      LYS  36 -13.973  -3.926  -6.963
  238    HB3  LYS  36           1HB      LYS  36 -14.639  -5.477  -7.439
  239    HG2  LYS  36           2HG      LYS  36 -16.130  -4.535  -5.873
  240    HG3  LYS  36           1HG      LYS  36 -15.284  -5.824  -5.031
  241    HD2  LYS  36           2HD      LYS  36 -15.412  -3.972  -3.546
  242    HD3  LYS  36           1HD      LYS  36 -13.742  -4.076  -4.103
  243    HE2  LYS  36           2HE      LYS  36 -14.438  -1.772  -4.116
  244    HE3  LYS  36           1HE      LYS  36 -14.229  -2.322  -5.777
  245    HZ1  LYS  36           3HZ      LYS  36 -16.859  -2.249  -4.408
  246    HZ2  LYS  36           1HZ      LYS  36 -16.559  -2.478  -6.061
  247    HZ3  LYS  36           2HZ      LYS  36 -16.265  -0.965  -5.347
  248    H    ASN  37           H        ASN  37 -12.280  -5.230  -3.838
  249    HA   ASN  37           HA       ASN  37  -9.928  -3.616  -4.255
  250    HB2  ASN  37           2HB      ASN  37 -12.057  -2.114  -4.368
  251    HB3  ASN  37           1HB      ASN  37 -12.139  -2.376  -2.630
  252   HD21  ASN  37          1HD2      ASN  37 -10.475  -1.575  -1.326
  253   HD22  ASN  37          2HD2      ASN  37  -9.428  -0.315  -1.874
  254    H    GLN  38           H        GLN  38  -8.796  -5.182  -3.010
  255    HA   GLN  38           HA       GLN  38  -9.781  -5.583  -0.244
  256    HB2  GLN  38           2HB      GLN  38 -10.384  -7.518  -1.626
  257    HB3  GLN  38           1HB      GLN  38  -8.718  -7.690  -2.154
  258    HG2  GLN  38           2HG      GLN  38  -9.112  -9.350  -0.517
  259    HG3  GLN  38           1HG      GLN  38  -8.095  -8.119   0.229
  260   HE21  GLN  38          1HE2      GLN  38 -11.518  -7.725  -0.325
  261   HE22  GLN  38          2HE2      GLN  38 -11.980  -7.745   1.335
  262    H    CYS  39           H        CYS  39  -8.276  -5.821   1.346
  263    HA   CYS  39           HA       CYS  39  -5.564  -4.984   0.768
  264    HB2  CYS  39           2HB      CYS  39  -6.971  -5.543   3.374
  265    HB3  CYS  39           1HB      CYS  39  -5.336  -4.931   3.235
  266    HG   CYS  39           HG       CYS  39  -8.148  -3.289   2.210
  267    H    VAL  40           H        VAL  40  -4.247  -6.584   0.089
  268    HA   VAL  40           HA       VAL  40  -4.246  -9.100   1.591
  269    HB   VAL  40           HB       VAL  40  -4.286  -8.908  -0.984
  270   HG11  VAL  40          1HG1      VAL  40  -2.494  -7.344  -1.296
  271   HG12  VAL  40          2HG1      VAL  40  -2.054  -8.884  -2.034
  272   HG13  VAL  40          3HG1      VAL  40  -1.360  -8.421  -0.481
  273   HG21  VAL  40          3HG2      VAL  40  -4.033 -11.012   0.196
  274   HG22  VAL  40          1HG2      VAL  40  -2.305 -10.717   0.397
  275   HG23  VAL  40          2HG2      VAL  40  -2.975 -10.976  -1.215
  276    H    THR  41           H        THR  41  -2.081  -9.939   2.248
  277    HA   THR  41           HA       THR  41  -0.610  -7.749   3.455
  278    HB   THR  41           HB       THR  41   0.632  -9.731   4.566
  279    HG1  THR  41           HG1      THR  41  -1.346 -11.430   4.547
  280   HG21  THR  41          3HG2      THR  41  -2.295  -9.235   5.114
  281   HG22  THR  41          1HG2      THR  41  -0.947  -8.276   5.727
  282   HG23  THR  41          2HG2      THR  41  -1.143  -9.952   6.242
  283    H    GLY  42           H        GLY  42   1.291  -7.060   2.840
  284    HA2  GLY  42           2HA      GLY  42   3.381  -8.480   1.698
  285    HA3  GLY  42           1HA      GLY  42   2.412  -7.867   0.367
  286    H    GLU  43           H        GLU  43   3.617  -6.252  -0.443
  287    HA   GLU  43           HA       GLU  43   3.961  -3.950   1.309
  288    HB2  GLU  43           2HB      GLU  43   6.188  -3.456   0.241
  289    HB3  GLU  43           1HB      GLU  43   6.170  -4.813   1.352
  290    HG2  GLU  43           2HG      GLU  43   5.912  -5.221  -1.603
  291    HG3  GLU  43           1HG      GLU  43   7.483  -5.030  -0.830
  292    H    GLY  44           H        GLY  44   2.762  -2.430   0.465
  293    HA2  GLY  44           2HA      GLY  44   2.228  -2.467  -2.408
  294    HA3  GLY  44           1HA      GLY  44   1.272  -1.647  -1.189
  295    H    THR  45           H        THR  45   1.300   0.250  -2.392
  296    HA   THR  45           HA       THR  45   3.794   1.773  -2.138
  297    HB   THR  45           HB       THR  45   2.353   2.700  -4.430
  298    HG1  THR  45           HG1      THR  45   2.328  -0.004  -4.160
  299   HG21  THR  45          3HG2      THR  45   5.038   1.339  -4.194
  300   HG22  THR  45          1HG2      THR  45   4.738   3.065  -4.001
  301   HG23  THR  45          2HG2      THR  45   4.482   2.294  -5.568
  302    HA   PRO  46           HA       PRO  46   1.092   4.793  -0.247
  303    HB2  PRO  46           2HB      PRO  46   3.058   6.716  -1.376
  304    HB3  PRO  46           1HB      PRO  46   2.495   6.541   0.288
  305    HG2  PRO  46           2HG      PRO  46   4.927   5.718  -0.418
  306    HG3  PRO  46           1HG      PRO  46   3.949   4.792   0.737
  307    HD2  PRO  46           2HD      PRO  46   4.483   4.253  -2.157
  308    HD3  PRO  46           1HD      PRO  46   4.360   3.113  -0.800
  309    H    LYS  47           H        LYS  47  -0.637   5.881  -1.043
  310    HA   LYS  47           HA       LYS  47  -0.877   6.013  -3.923
  311    HB2  LYS  47           2HB      LYS  47  -2.653   5.112  -2.279
  312    HB3  LYS  47           1HB      LYS  47  -2.981   6.801  -1.916
  313    HG2  LYS  47           2HG      LYS  47  -3.078   6.889  -4.587
  314    HG3  LYS  47           1HG      LYS  47  -3.593   5.228  -4.312
  315    HD2  LYS  47           2HD      LYS  47  -5.472   5.871  -3.110
  316    HD3  LYS  47           1HD      LYS  47  -4.812   7.473  -2.759
  317    HE2  LYS  47           2HE      LYS  47  -4.958   7.975  -5.193
  318    HE3  LYS  47           1HE      LYS  47  -5.796   6.444  -5.413
  319    HZ1  LYS  47           3HZ      LYS  47  -6.777   8.503  -3.531
  320    HZ2  LYS  47           1HZ      LYS  47  -7.621   7.183  -4.181
  321    HZ3  LYS  47           2HZ      LYS  47  -7.216   8.505  -5.167
  322    HA   PRO  48           HA       PRO  48   0.422  10.285  -3.643
  323    HB2  PRO  48           2HB      PRO  48  -0.103  10.333  -6.531
  324    HB3  PRO  48           1HB      PRO  48   1.411  10.582  -5.657
  325    HG2  PRO  48           2HG      PRO  48   0.955   8.367  -7.121
  326    HG3  PRO  48           1HG      PRO  48   1.929   8.341  -5.639
  327    HD2  PRO  48           2HD      PRO  48  -0.920   7.503  -6.050
  328    HD3  PRO  48           1HD      PRO  48   0.357   6.725  -5.091
  329    H    GLN  49           H        GLN  49  -0.537  12.218  -3.626
  330    HA   GLN  49           HA       GLN  49  -3.175  12.563  -4.806
  331    HB2  GLN  49           2HB      GLN  49  -3.820  13.706  -2.545
  332    HB3  GLN  49           1HB      GLN  49  -4.000  11.967  -2.741
  333    HG2  GLN  49           2HG      GLN  49  -1.974  11.564  -1.546
  334    HG3  GLN  49           1HG      GLN  49  -1.606  13.285  -1.484
  335   HE21  GLN  49          1HE2      GLN  49  -4.850  12.156  -1.040
  336   HE22  GLN  49          2HE2      GLN  49  -4.952  12.486   0.656
  337    H    SER  50           H        SER  50  -0.498  13.988  -3.008
  338    HA   SER  50           HA       SER  50  -1.153  16.642  -3.958
  339    HB2  SER  50           2HB      SER  50  -0.244  16.143  -1.638
  340    HB3  SER  50           1HB      SER  50   1.295  15.763  -2.411
  341    HG   SER  50           HG       SER  50   0.691  18.053  -1.594
  342    H    HIS  51           H        HIS  51   0.894  17.895  -4.711
  343    HA   HIS  51           HA       HIS  51   1.702  16.694  -7.216
  344    HB2  HIS  51           2HB      HIS  51   2.648  19.277  -6.023
  345    HB3  HIS  51           1HB      HIS  51   2.644  18.836  -7.729
  346    HD1  HIS  51           HD1      HIS  51   0.859  20.925  -5.504
  347    HD2  HIS  51           HD2      HIS  51  -0.270  18.323  -8.548
  348    HE1  HIS  51           HE1      HIS  51  -1.472  21.616  -6.161
  349    HE2  HIS  51           HE2      HIS  51  -2.211  19.878  -7.832
  Start of MODEL   14
    1    H1   VAL   1           1H       VAL   1  -2.248  13.602   4.661
    2    H2   VAL   1           2H       VAL   1  -1.221  13.982   5.955
    3    H3   VAL   1           3H       VAL   1  -2.799  14.605   5.909
    4    HA   VAL   1           HA       VAL   1  -2.143  11.727   6.071
    5    HB   VAL   1           HB       VAL   1  -2.968  11.871   8.424
    6   HG11  VAL   1          1HG1      VAL   1  -0.584  11.744   7.900
    7   HG12  VAL   1          2HG1      VAL   1  -0.884  12.700   9.351
    8   HG13  VAL   1          3HG1      VAL   1  -0.509  13.505   7.827
    9   HG21  VAL   1          3HG2      VAL   1  -2.970  14.047   9.544
   10   HG22  VAL   1          1HG2      VAL   1  -4.174  13.989   8.257
   11   HG23  VAL   1          2HG2      VAL   1  -2.652  14.844   8.003
   12    H    VAL   2           H        VAL   2  -4.042  13.341   4.433
   13    HA   VAL   2           HA       VAL   2  -6.519  12.041   5.355
   14    HB   VAL   2           HB       VAL   2  -6.259  14.618   3.784
   15   HG11  VAL   2          1HG1      VAL   2  -8.684  14.726   3.830
   16   HG12  VAL   2          2HG1      VAL   2  -8.758  13.181   4.679
   17   HG13  VAL   2          3HG1      VAL   2  -8.158  13.250   3.022
   18   HG21  VAL   2          3HG2      VAL   2  -7.306  14.070   6.560
   19   HG22  VAL   2          1HG2      VAL   2  -7.358  15.629   5.737
   20   HG23  VAL   2          2HG2      VAL   2  -5.805  14.903   6.155
   21    H    TYR   3           H        TYR   3  -7.202  10.482   4.049
   22    HA   TYR   3           HA       TYR   3  -5.983  10.331   1.376
   23    HB2  TYR   3           2HB      TYR   3  -6.798   8.022   3.155
   24    HB3  TYR   3           1HB      TYR   3  -5.966   7.911   1.606
   25    HD1  TYR   3           HD2      TYR   3  -3.689   9.298   1.511
   26    HD2  TYR   3           HD1      TYR   3  -5.531   7.873   5.071
   27    HE1  TYR   3           HE2      TYR   3  -1.528   9.420   2.671
   28    HE2  TYR   3           HE1      TYR   3  -3.371   7.992   6.239
   29    HH   TYR   3           HH       TYR   3  -0.988   8.004   5.720
   30    H    THR   4           H        THR   4  -7.275   8.545   0.095
   31    HA   THR   4           HA       THR   4 -10.143   8.973   0.338
   32    HB   THR   4           HB       THR   4 -10.063   9.147  -2.281
   33    HG1  THR   4           HG1      THR   4  -7.869  10.720  -2.192
   34   HG21  THR   4          3HG2      THR   4 -10.047  11.597  -2.125
   35   HG22  THR   4          1HG2      THR   4  -9.349  11.488  -0.509
   36   HG23  THR   4          2HG2      THR   4 -10.974  10.875  -0.812
   37    H    ASP   5           H        ASP   5 -10.694   7.597  -2.153
   38    HA   ASP   5           HA       ASP   5 -10.306   4.936  -1.070
   39    HB2  ASP   5           2HB      ASP   5 -11.804   5.802  -3.564
   40    HB3  ASP   5           1HB      ASP   5 -11.899   4.225  -2.793
   41    H    CYS   6           H        CYS   6  -9.170   3.284  -2.070
   42    HA   CYS   6           HA       CYS   6  -6.871   3.842  -3.464
   43    HB2  CYS   6           2HB      CYS   6  -8.409   1.260  -3.734
   44    HB3  CYS   6           1HB      CYS   6  -6.685   1.496  -3.958
   45    HG   CYS   6           HG       CYS   6  -7.117   0.089  -1.589
   46    H    THR   7           H        THR   7  -6.305   4.110  -5.478
   47    HA   THR   7           HA       THR   7  -8.405   4.169  -7.533
   48    HB   THR   7           HB       THR   7  -5.880   5.819  -7.472
   49    HG1  THR   7           HG1      THR   7  -8.421   6.820  -6.703
   50   HG21  THR   7          3HG2      THR   7  -7.137   7.291  -8.976
   51   HG22  THR   7          1HG2      THR   7  -8.515   6.193  -8.897
   52   HG23  THR   7          2HG2      THR   7  -7.006   5.662  -9.639
   53    H    GLU   8           H        GLU   8  -5.653   2.632  -6.487
   54    HA   GLU   8           HA       GLU   8  -5.009   1.564  -9.114
   55    HB2  GLU   8           2HB      GLU   8  -3.112   3.053  -7.319
   56    HB3  GLU   8           1HB      GLU   8  -2.528   1.877  -8.479
   57    HG2  GLU   8           2HG      GLU   8  -3.488   3.163 -10.297
   58    HG3  GLU   8           1HG      GLU   8  -4.164   4.314  -9.145
   59    H    SER   9           H        SER   9  -3.943  -0.425  -9.050
   60    HA   SER   9           HA       SER   9  -4.365  -1.907  -6.581
   61    HB2  SER   9           2HB      SER   9  -3.454  -2.882  -9.306
   62    HB3  SER   9           1HB      SER   9  -3.955  -3.893  -7.943
   63    HG   SER   9           HG       SER   9  -5.516  -3.148  -9.776
   64    H    GLY  10           H        GLY  10  -2.780  -2.483  -5.233
   65    HA2  GLY  10           2HA      GLY  10  -0.489  -3.078  -4.767
   66    HA3  GLY  10           1HA      GLY  10   0.008  -2.068  -6.122
   67    H    GLN  11           H        GLN  11  -2.398  -0.441  -4.717
   68    HA   GLN  11           HA       GLN  11  -0.591   1.301  -3.245
   69    HB2  GLN  11           2HB      GLN  11  -2.984   1.665  -4.734
   70    HB3  GLN  11           1HB      GLN  11  -3.331   2.128  -3.069
   71    HG2  GLN  11           2HG      GLN  11  -2.380   4.070  -3.470
   72    HG3  GLN  11           1HG      GLN  11  -0.843   3.241  -3.668
   73   HE21  GLN  11          1HE2      GLN  11  -3.470   4.821  -5.231
   74   HE22  GLN  11          2HE2      GLN  11  -2.784   4.826  -6.826
   75    H    ASN  12           H        ASN  12  -1.352   2.128  -1.073
   76    HA   ASN  12           HA       ASN  12  -2.995   0.177   0.336
   77    HB2  ASN  12           2HB      ASN  12  -1.358   0.278   2.277
   78    HB3  ASN  12           1HB      ASN  12  -0.972  -0.757   0.917
   79   HD21  ASN  12          1HD2      ASN  12   1.165  -0.767   1.534
   80   HD22  ASN  12          2HD2      ASN  12   2.222   0.575   1.237
   81    H    LEU  13           H        LEU  13  -1.113   3.121   0.989
   82    HA   LEU  13           HA       LEU  13  -2.703   4.081   3.087
   83    HB2  LEU  13           2HB      LEU  13  -0.853   5.471   1.172
   84    HB3  LEU  13           1HB      LEU  13  -1.663   6.324   2.473
   85    HG   LEU  13           HG       LEU  13   0.134   3.944   2.927
   86   HD11  LEU  13          1HD1      LEU  13   1.827   5.573   3.649
   87   HD12  LEU  13          2HD1      LEU  13   0.789   6.885   3.090
   88   HD13  LEU  13          3HD1      LEU  13   1.449   5.727   1.934
   89   HD21  LEU  13          3HD2      LEU  13  -0.863   6.082   4.806
   90   HD22  LEU  13          1HD2      LEU  13   0.143   4.696   5.226
   91   HD23  LEU  13          2HD2      LEU  13  -1.520   4.452   4.692
   92    H    CYS  14           H        CYS  14  -4.644   3.367   1.748
   93    HA   CYS  14           HA       CYS  14  -6.154   5.734   1.102
   94    HB2  CYS  14           2HB      CYS  14  -6.938   4.530  -1.096
   95    HB3  CYS  14           1HB      CYS  14  -5.437   5.420  -1.103
   96    HG   CYS  14           HG       CYS  14  -5.639   2.034  -0.718
   97    H    LEU  15           H        LEU  15  -8.453   5.296   1.319
   98    HA   LEU  15           HA       LEU  15  -8.978   3.026   3.000
   99    HB2  LEU  15           2HB      LEU  15 -11.475   3.938   2.465
  100    HB3  LEU  15           1HB      LEU  15 -10.450   4.533   3.748
  101    HG   LEU  15           HG       LEU  15 -10.241   5.879   1.096
  102   HD11  LEU  15          1HD1      LEU  15 -12.141   7.309   1.620
  103   HD12  LEU  15          2HD1      LEU  15 -12.497   6.340   3.050
  104   HD13  LEU  15          3HD1      LEU  15 -12.658   5.632   1.443
  105   HD21  LEU  15          3HD2      LEU  15 -10.194   6.833   3.959
  106   HD22  LEU  15          1HD2      LEU  15  -9.900   7.829   2.534
  107   HD23  LEU  15          2HD2      LEU  15  -8.786   6.525   2.944
  108    H    CYS  16           H        CYS  16  -8.539   1.281   1.824
  109    HA   CYS  16           HA       CYS  16  -9.492   0.638  -0.727
  110    HB2  CYS  16           2HB      CYS  16  -7.628  -0.536   0.248
  111    HB3  CYS  16           1HB      CYS  16  -8.606  -1.066   1.603
  112    HG   CYS  16           HG       CYS  16 -10.305  -2.405  -0.573
  113    H    GLU  17           H        GLU  17 -10.449  -0.993   2.243
  114    HA   GLU  17           HA       GLU  17 -13.096  -1.496   1.158
  115    HB2  GLU  17           2HB      GLU  17 -11.491  -3.115   2.496
  116    HB3  GLU  17           1HB      GLU  17 -12.188  -2.339   3.898
  117    HG2  GLU  17           2HG      GLU  17 -13.856  -3.647   1.767
  118    HG3  GLU  17           1HG      GLU  17 -13.212  -4.529   3.146
  119    H    GLY  18           H        GLY  18 -14.973  -1.101   2.763
  120    HA2  GLY  18           2HA      GLY  18 -15.809   1.363   2.714
  121    HA3  GLY  18           1HA      GLY  18 -16.149   0.402   4.134
  122    H    SER  19           H        SER  19 -14.492   0.565   5.921
  123    HA   SER  19           HA       SER  19 -13.372   3.297   5.956
  124    HB2  SER  19           2HB      SER  19 -13.608   3.142   8.461
  125    HB3  SER  19           1HB      SER  19 -15.143   3.121   7.592
  126    HG   SER  19           HG       SER  19 -15.519   1.203   8.354
  127    H    ASN  20           H        ASN  20 -12.336   0.464   5.238
  128    HA   ASN  20           HA       ASN  20 -10.143   0.146   7.087
  129    HB2  ASN  20           2HB      ASN  20 -10.755  -1.178   4.447
  130    HB3  ASN  20           1HB      ASN  20  -9.319  -1.524   5.397
  131   HD21  ASN  20          1HD2      ASN  20 -12.425  -0.861   6.840
  132   HD22  ASN  20          2HD2      ASN  20 -12.718  -2.462   7.403
  133    H    VAL  21           H        VAL  21  -9.035   2.031   7.028
  134    HA   VAL  21           HA       VAL  21  -7.958   2.996   4.504
  135    HB   VAL  21           HB       VAL  21  -7.392   4.009   7.304
  136   HG11  VAL  21          1HG1      VAL  21  -5.708   4.646   5.653
  137   HG12  VAL  21          2HG1      VAL  21  -6.645   6.045   6.177
  138   HG13  VAL  21          3HG1      VAL  21  -6.968   5.302   4.609
  139   HG21  VAL  21          3HG2      VAL  21  -9.779   4.170   6.802
  140   HG22  VAL  21          1HG2      VAL  21  -9.411   5.023   5.302
  141   HG23  VAL  21          2HG2      VAL  21  -9.028   5.764   6.856
  142    H    CYS  22           H        CYS  22  -6.490   1.595   3.777
  143    HA   CYS  22           HA       CYS  22  -4.867   0.057   5.555
  144    HB2  CYS  22           2HB      CYS  22  -5.737  -0.142   2.867
  145    HB3  CYS  22           1HB      CYS  22  -3.977  -0.127   2.837
  146    HG   CYS  22           HG       CYS  22  -5.348  -2.748   2.931
  147    H    GLY  23           H        GLY  23  -2.539  -0.057   5.420
  148    HA2  GLY  23           2HA      GLY  23  -1.226   2.402   4.516
  149    HA3  GLY  23           1HA      GLY  23  -1.055   1.920   6.200
  150    H    GLN  24           H        GLN  24   1.128   1.470   6.176
  151    HA   GLN  24           HA       GLN  24   2.197  -0.123   4.001
  152    HB2  GLN  24           2HB      GLN  24   3.409   1.883   4.877
  153    HB3  GLN  24           1HB      GLN  24   3.648   1.021   6.391
  154    HG2  GLN  24           2HG      GLN  24   5.079  -0.552   5.396
  155    HG3  GLN  24           1HG      GLN  24   4.596  -0.083   3.767
  156   HE21  GLN  24          1HE2      GLN  24   5.411   1.795   2.871
  157   HE22  GLN  24          2HE2      GLN  24   6.793   2.611   3.521
  158    H    GLY  25           H        GLY  25   2.920  -2.163   4.170
  159    HA2  GLY  25           2HA      GLY  25   3.377  -4.180   5.383
  160    HA3  GLY  25           1HA      GLY  25   2.341  -3.588   6.683
  161    H    ASN  26           H        ASN  26   0.575  -2.588   4.371
  162    HA   ASN  26           HA       ASN  26  -0.555  -5.175   3.537
  163    HB2  ASN  26           2HB      ASN  26  -2.022  -2.632   4.263
  164    HB3  ASN  26           1HB      ASN  26  -2.775  -4.007   3.462
  165   HD21  ASN  26          1HD2      ASN  26  -1.488  -2.760   6.423
  166   HD22  ASN  26          2HD2      ASN  26  -2.064  -4.036   7.446
  167    H    LYS  27           H        LYS  27  -1.827  -4.981   1.514
  168    HA   LYS  27           HA       LYS  27  -1.117  -2.750  -0.212
  169    HB2  LYS  27           2HB      LYS  27   0.737  -4.287  -0.547
  170    HB3  LYS  27           1HB      LYS  27  -0.374  -5.619  -0.818
  171    HG2  LYS  27           2HG      LYS  27  -1.004  -4.828  -2.917
  172    HG3  LYS  27           1HG      LYS  27  -0.403  -3.202  -2.584
  173    HD2  LYS  27           2HD      LYS  27   1.067  -4.396  -4.134
  174    HD3  LYS  27           1HD      LYS  27   1.889  -4.023  -2.616
  175    HE2  LYS  27           2HE      LYS  27   2.452  -6.267  -3.289
  176    HE3  LYS  27           1HE      LYS  27   1.434  -6.333  -1.852
  177    HZ1  LYS  27           3HZ      LYS  27   0.571  -6.830  -4.655
  178    HZ2  LYS  27           1HZ      LYS  27  -0.464  -6.806  -3.318
  179    HZ3  LYS  27           2HZ      LYS  27   0.734  -7.986  -3.424
  180    H    CYS  28           H        CYS  28  -3.003  -2.181  -1.163
  181    HA   CYS  28           HA       CYS  28  -5.161  -4.127  -1.291
  182    HB2  CYS  28           2HB      CYS  28  -5.837  -1.986  -0.456
  183    HB3  CYS  28           1HB      CYS  28  -5.056  -1.150  -1.791
  184    HG   CYS  28           HG       CYS  28  -7.979  -2.888  -1.828
  185    H    ILE  29           H        ILE  29  -5.855  -5.059  -3.130
  186    HA   ILE  29           HA       ILE  29  -4.759  -4.038  -5.654
  187    HB   ILE  29           HB       ILE  29  -4.684  -6.459  -6.434
  188   HG12  ILE  29          2HG1      ILE  29  -4.675  -6.934  -3.445
  189   HG13  ILE  29          1HG1      ILE  29  -5.967  -7.400  -4.548
  190   HG21  ILE  29          1HG2      ILE  29  -2.747  -5.518  -4.323
  191   HG22  ILE  29          2HG2      ILE  29  -2.689  -5.139  -6.045
  192   HG23  ILE  29          3HG2      ILE  29  -2.436  -6.795  -5.497
  193   HD11  ILE  29          3HD1      ILE  29  -3.146  -8.449  -4.583
  194   HD12  ILE  29          1HD1      ILE  29  -4.435  -8.920  -5.691
  195   HD13  ILE  29          2HD1      ILE  29  -4.567  -9.297  -3.973
  196    H    LEU  30           H        LEU  30  -6.281  -3.495  -6.984
  197    HA   LEU  30           HA       LEU  30  -8.979  -4.450  -6.615
  198    HB2  LEU  30           2HB      LEU  30  -7.804  -2.393  -8.499
  199    HB3  LEU  30           1HB      LEU  30  -9.502  -2.826  -8.461
  200    HG   LEU  30           HG       LEU  30  -9.454  -2.098  -5.999
  201   HD11  LEU  30          1HD1      LEU  30  -6.923  -0.771  -6.946
  202   HD12  LEU  30          2HD1      LEU  30  -7.046  -2.017  -5.705
  203   HD13  LEU  30          3HD1      LEU  30  -7.762  -0.427  -5.434
  204   HD21  LEU  30          3HD2      LEU  30  -9.837   0.224  -6.597
  205   HD22  LEU  30          1HD2      LEU  30 -10.560  -0.851  -7.795
  206   HD23  LEU  30          2HD2      LEU  30  -9.041  -0.029  -8.151
  207    H    GLY  31           H        GLY  31  -9.226  -6.466  -7.396
  208    HA2  GLY  31           2HA      GLY  31  -8.075  -7.073 -10.036
  209    HA3  GLY  31           1HA      GLY  31  -8.546  -8.269  -8.836
  210    H    ARG  32           H        ARG  32 -10.365  -9.299  -9.229
  211    HA   ARG  32           HA       ARG  32 -12.607  -7.958 -10.485
  212    HB2  ARG  32           2HB      ARG  32 -11.169 -10.232 -11.858
  213    HB3  ARG  32           1HB      ARG  32 -12.812  -9.754 -12.254
  214    HG2  ARG  32           2HG      ARG  32 -11.950  -7.492 -12.831
  215    HG3  ARG  32           1HG      ARG  32 -10.314  -8.102 -12.571
  216    HD2  ARG  32           2HD      ARG  32 -12.311  -9.101 -14.599
  217    HD3  ARG  32           1HD      ARG  32 -10.854  -8.165 -14.929
  218    HE   ARG  32           HE       ARG  32  -9.707 -10.213 -13.832
  219   HH11  ARG  32          1HH1      ARG  32 -12.517 -10.275 -15.935
  220   HH12  ARG  32          2HH1      ARG  32 -12.199 -11.887 -16.517
  221   HH21  ARG  32          1HH2      ARG  32  -9.294 -12.311 -14.580
  222   HH22  ARG  32          2HH2      ARG  32 -10.365 -13.053 -15.730
  223    H    GLY  33           H        GLY  33 -14.543  -9.262 -10.494
  224    HA2  GLY  33           2HA      GLY  33 -15.973 -10.888  -9.716
  225    HA3  GLY  33           1HA      GLY  33 -14.571 -11.866  -9.314
  226    H    ASP  34           H        ASP  34 -14.525 -12.369  -7.251
  227    HA   ASP  34           HA       ASP  34 -15.796 -10.644  -5.285
  228    HB2  ASP  34           2HB      ASP  34 -15.430 -12.473  -3.713
  229    HB3  ASP  34           1HB      ASP  34 -16.141 -13.107  -5.193
  230    H    SER  35           H        SER  35 -12.881 -10.777  -6.749
  231    HA   SER  35           HA       SER  35 -11.449  -9.765  -4.381
  232    HB2  SER  35           2HB      SER  35 -10.629 -11.976  -5.329
  233    HB3  SER  35           1HB      SER  35 -10.191 -11.101  -6.789
  234    HG   SER  35           HG       SER  35  -9.096 -10.903  -4.191
  235    H    LYS  36           H        LYS  36 -12.835  -7.872  -5.533
  236    HA   LYS  36           HA       LYS  36 -11.177  -6.688  -7.633
  237    HB2  LYS  36           2HB      LYS  36 -13.149  -5.052  -7.837
  238    HB3  LYS  36           1HB      LYS  36 -13.359  -6.690  -8.430
  239    HG2  LYS  36           2HG      LYS  36 -15.348  -6.150  -7.320
  240    HG3  LYS  36           1HG      LYS  36 -14.472  -7.216  -6.225
  241    HD2  LYS  36           2HD      LYS  36 -15.446  -5.398  -4.981
  242    HD3  LYS  36           1HD      LYS  36 -13.692  -5.231  -4.977
  243    HE2  LYS  36           2HE      LYS  36 -14.741  -3.077  -5.330
  244    HE3  LYS  36           1HE      LYS  36 -13.859  -3.570  -6.774
  245    HZ1  LYS  36           3HZ      LYS  36 -15.806  -3.982  -7.925
  246    HZ2  LYS  36           1HZ      LYS  36 -16.194  -2.593  -7.036
  247    HZ3  LYS  36           2HZ      LYS  36 -16.755  -4.116  -6.524
  248    H    ASN  37           H        ASN  37 -11.879  -6.395  -4.328
  249    HA   ASN  37           HA       ASN  37 -10.126  -4.118  -4.088
  250    HB2  ASN  37           2HB      ASN  37 -12.319  -3.050  -4.435
  251    HB3  ASN  37           1HB      ASN  37 -12.996  -3.996  -3.115
  252   HD21  ASN  37          1HD2      ASN  37 -10.912  -1.375  -3.989
  253   HD22  ASN  37          2HD2      ASN  37 -10.786  -0.694  -2.412
  254    H    GLN  38           H        GLN  38  -8.754  -5.469  -2.852
  255    HA   GLN  38           HA       GLN  38  -9.771  -5.986  -0.161
  256    HB2  GLN  38           2HB      GLN  38 -10.172  -8.056  -1.467
  257    HB3  GLN  38           1HB      GLN  38  -8.450  -8.155  -1.799
  258    HG2  GLN  38           2HG      GLN  38  -9.116  -9.664  -0.009
  259    HG3  GLN  38           1HG      GLN  38  -7.983  -8.442   0.564
  260   HE21  GLN  38          1HE2      GLN  38  -8.652  -8.761   2.695
  261   HE22  GLN  38          2HE2      GLN  38 -10.172  -8.158   3.275
  262    H    CYS  39           H        CYS  39  -8.262  -5.915   1.435
  263    HA   CYS  39           HA       CYS  39  -5.635  -4.930   0.707
  264    HB2  CYS  39           2HB      CYS  39  -7.048  -5.178   3.353
  265    HB3  CYS  39           1HB      CYS  39  -5.424  -4.540   3.165
  266    HG   CYS  39           HG       CYS  39  -7.824  -3.068   1.309
  267    H    VAL  40           H        VAL  40  -4.405  -6.641   0.067
  268    HA   VAL  40           HA       VAL  40  -4.230  -9.013   1.735
  269    HB   VAL  40           HB       VAL  40  -4.222  -8.980  -0.819
  270   HG11  VAL  40          1HG1      VAL  40  -1.362  -8.151  -0.383
  271   HG12  VAL  40          2HG1      VAL  40  -2.622  -7.203  -1.171
  272   HG13  VAL  40          3HG1      VAL  40  -2.052  -8.700  -1.909
  273   HG21  VAL  40          3HG2      VAL  40  -3.713 -10.992   0.412
  274   HG22  VAL  40          1HG2      VAL  40  -2.049 -10.464   0.655
  275   HG23  VAL  40          2HG2      VAL  40  -2.621 -10.859  -0.966
  276    H    THR  41           H        THR  41  -2.039  -9.757   2.445
  277    HA   THR  41           HA       THR  41  -0.724  -7.504   3.713
  278    HB   THR  41           HB       THR  41   0.560  -9.293   4.937
  279    HG1  THR  41           HG1      THR  41   0.406 -11.055   3.589
  280   HG21  THR  41          3HG2      THR  41  -1.431  -8.258   5.899
  281   HG22  THR  41          1HG2      THR  41  -1.343  -9.964   6.335
  282   HG23  THR  41          2HG2      THR  41  -2.454  -9.432   5.072
  283    H    GLY  42           H        GLY  42   1.166  -6.702   3.198
  284    HA2  GLY  42           2HA      GLY  42   3.403  -7.934   2.207
  285    HA3  GLY  42           1HA      GLY  42   2.463  -7.513   0.783
  286    H    GLU  43           H        GLU  43   3.536  -5.831  -0.082
  287    HA   GLU  43           HA       GLU  43   3.813  -3.446   1.597
  288    HB2  GLU  43           2HB      GLU  43   5.952  -4.537  -0.247
  289    HB3  GLU  43           1HB      GLU  43   6.008  -2.958   0.526
  290    HG2  GLU  43           2HG      GLU  43   6.101  -3.965   2.703
  291    HG3  GLU  43           1HG      GLU  43   5.858  -5.569   2.015
  292    H    GLY  44           H        GLY  44   2.444  -2.066   0.720
  293    HA2  GLY  44           2HA      GLY  44   2.000  -2.087  -2.165
  294    HA3  GLY  44           1HA      GLY  44   0.990  -1.303  -0.967
  295    H    THR  45           H        THR  45   0.960   0.652  -2.015
  296    HA   THR  45           HA       THR  45   3.361   2.278  -1.674
  297    HB   THR  45           HB       THR  45   2.102   3.071  -4.127
  298    HG1  THR  45           HG1      THR  45   1.889   0.512  -3.877
  299   HG21  THR  45          3HG2      THR  45   4.837   1.912  -3.584
  300   HG22  THR  45          1HG2      THR  45   4.396   3.614  -3.452
  301   HG23  THR  45          2HG2      THR  45   4.361   2.814  -5.024
  302    HA   PRO  46           HA       PRO  46   0.381   5.252  -0.159
  303    HB2  PRO  46           2HB      PRO  46   2.234   7.262  -1.323
  304    HB3  PRO  46           1HB      PRO  46   1.637   7.112   0.331
  305    HG2  PRO  46           2HG      PRO  46   4.143   6.461  -0.268
  306    HG3  PRO  46           1HG      PRO  46   3.207   5.496   0.889
  307    HD2  PRO  46           2HD      PRO  46   3.848   4.918  -1.979
  308    HD3  PRO  46           1HD      PRO  46   3.822   3.815  -0.587
  309    H    LYS  47           H        LYS  47  -1.160   6.778  -0.989
  310    HA   LYS  47           HA       LYS  47  -1.633   6.417  -3.817
  311    HB2  LYS  47           2HB      LYS  47  -3.225   7.150  -1.457
  312    HB3  LYS  47           1HB      LYS  47  -3.661   7.990  -2.928
  313    HG2  LYS  47           2HG      LYS  47  -3.351   5.271  -3.593
  314    HG3  LYS  47           1HG      LYS  47  -4.299   5.348  -2.117
  315    HD2  LYS  47           2HD      LYS  47  -4.915   6.718  -4.715
  316    HD3  LYS  47           1HD      LYS  47  -5.773   5.371  -4.018
  317    HE2  LYS  47           2HE      LYS  47  -6.726   6.667  -2.365
  318    HE3  LYS  47           1HE      LYS  47  -5.547   7.962  -2.537
  319    HZ1  LYS  47           3HZ      LYS  47  -7.685   7.257  -4.483
  320    HZ2  LYS  47           1HZ      LYS  47  -6.534   8.487  -4.702
  321    HZ3  LYS  47           2HZ      LYS  47  -7.675   8.605  -3.455
  322    HA   PRO  48           HA       PRO  48  -0.028  10.417  -4.852
  323    HB2  PRO  48           2HB      PRO  48  -1.395  10.130  -7.394
  324    HB3  PRO  48           1HB      PRO  48   0.335  10.121  -7.056
  325    HG2  PRO  48           2HG      PRO  48  -1.082   7.920  -7.855
  326    HG3  PRO  48           1HG      PRO  48   0.416   7.846  -6.914
  327    HD2  PRO  48           2HD      PRO  48  -2.409   7.495  -6.009
  328    HD3  PRO  48           1HD      PRO  48  -0.922   6.713  -5.433
  329    H    GLN  49           H        GLN  49  -0.743  12.405  -4.952
  330    HA   GLN  49           HA       GLN  49  -3.606  12.902  -5.324
  331    HB2  GLN  49           2HB      GLN  49  -3.173  14.751  -3.494
  332    HB3  GLN  49           1HB      GLN  49  -3.593  13.107  -3.036
  333    HG2  GLN  49           2HG      GLN  49  -1.225  12.605  -2.710
  334    HG3  GLN  49           1HG      GLN  49  -0.822  14.265  -3.124
  335   HE21  GLN  49          1HE2      GLN  49  -3.221  15.274  -1.706
  336   HE22  GLN  49          2HE2      GLN  49  -2.833  15.185  -0.021
  337    H    SER  50           H        SER  50  -0.309  14.102  -5.271
  338    HA   SER  50           HA       SER  50  -1.003  16.366  -6.957
  339    HB2  SER  50           2HB      SER  50   1.693  15.378  -5.976
  340    HB3  SER  50           1HB      SER  50   1.408  16.892  -6.838
  341    HG   SER  50           HG       SER  50   0.392  17.725  -5.104
  342    H    HIS  51           H        HIS  51  -1.360  15.992  -9.015
  343    HA   HIS  51           HA       HIS  51  -0.378  13.625 -10.353
  344    HB2  HIS  51           2HB      HIS  51  -1.813  15.997 -11.554
  345    HB3  HIS  51           1HB      HIS  51  -1.642  14.402 -12.263
  346    HD1  HIS  51           HD1      HIS  51  -3.459  16.173  -9.455
  347    HD2  HIS  51           HD2      HIS  51  -3.568  12.575 -11.537
  348    HE1  HIS  51           HE1      HIS  51  -5.574  15.028  -8.718
  349    HE2  HIS  51           HE2      HIS  51  -5.738  12.985 -10.189
  Start of MODEL   15
    1    H1   VAL   1           1H       VAL   1  -4.522  15.824   7.737
    2    H2   VAL   1           2H       VAL   1  -4.341  14.982   9.193
    3    H3   VAL   1           3H       VAL   1  -5.832  14.970   8.384
    4    HA   VAL   1           HA       VAL   1  -3.304  13.802   7.374
    5    HB   VAL   1           HB       VAL   1  -4.420  11.627   7.615
    6   HG11  VAL   1          1HG1      VAL   1  -4.285  11.438  10.057
    7   HG12  VAL   1          2HG1      VAL   1  -4.276  13.196  10.182
    8   HG13  VAL   1          3HG1      VAL   1  -2.940  12.363   9.387
    9   HG21  VAL   1          3HG2      VAL   1  -6.738  12.389   7.477
   10   HG22  VAL   1          1HG2      VAL   1  -6.584  13.159   9.055
   11   HG23  VAL   1          2HG2      VAL   1  -6.473  11.404   8.915
   12    H    VAL   2           H        VAL   2  -3.488  12.719   5.374
   13    HA   VAL   2           HA       VAL   2  -5.872  13.477   3.805
   14    HB   VAL   2           HB       VAL   2  -3.056  13.279   2.715
   15   HG11  VAL   2          1HG1      VAL   2  -4.026  14.382   0.746
   16   HG12  VAL   2          2HG1      VAL   2  -5.615  14.325   1.508
   17   HG13  VAL   2          3HG1      VAL   2  -4.792  12.829   1.076
   18   HG21  VAL   2          3HG2      VAL   2  -3.095  15.727   2.569
   19   HG22  VAL   2          1HG2      VAL   2  -3.196  15.170   4.240
   20   HG23  VAL   2          2HG2      VAL   2  -4.644  15.747   3.414
   21    H    TYR   3           H        TYR   3  -6.977  11.710   3.286
   22    HA   TYR   3           HA       TYR   3  -5.523   9.464   2.110
   23    HB2  TYR   3           2HB      TYR   3  -7.745   9.107   4.137
   24    HB3  TYR   3           1HB      TYR   3  -6.989   7.825   3.209
   25    HD1  TYR   3           HD1      TYR   3  -4.654   7.164   3.672
   26    HD2  TYR   3           HD2      TYR   3  -6.692   9.991   6.116
   27    HE1  TYR   3           HE1      TYR   3  -2.968   6.847   5.429
   28    HE2  TYR   3           HE2      TYR   3  -5.013   9.672   7.885
   29    HH   TYR   3           HH       TYR   3  -3.391   7.965   8.601
   30    H    THR   4           H        THR   4  -6.795   8.227   0.668
   31    HA   THR   4           HA       THR   4  -9.416   9.248  -0.082
   32    HB   THR   4           HB       THR   4  -8.666   9.164  -2.537
   33    HG1  THR   4           HG1      THR   4  -6.100   9.529  -1.325
   34   HG21  THR   4          3HG2      THR   4  -9.197  11.269  -1.413
   35   HG22  THR   4          1HG2      THR   4  -7.832  11.468  -2.514
   36   HG23  THR   4          2HG2      THR   4  -7.553  11.354  -0.775
   37    H    ASP   5           H        ASP   5 -10.014   7.736  -2.232
   38    HA   ASP   5           HA       ASP   5  -9.888   5.030  -1.143
   39    HB2  ASP   5           2HB      ASP   5 -11.220   5.041  -3.656
   40    HB3  ASP   5           1HB      ASP   5 -11.939   4.879  -2.059
   41    H    CYS   6           H        CYS   6  -8.915   3.287  -2.186
   42    HA   CYS   6           HA       CYS   6  -6.585   3.807  -3.648
   43    HB2  CYS   6           2HB      CYS   6  -8.056   1.183  -3.728
   44    HB3  CYS   6           1HB      CYS   6  -6.323   1.471  -3.851
   45    HG   CYS   6           HG       CYS   6  -6.601   2.624  -1.052
   46    H    THR   7           H        THR   7  -6.093   3.822  -5.797
   47    HA   THR   7           HA       THR   7  -8.364   3.520  -7.643
   48    HB   THR   7           HB       THR   7  -7.447   5.866  -7.240
   49    HG1  THR   7           HG1      THR   7  -7.213   5.198  -9.978
   50   HG21  THR   7          3HG2      THR   7  -5.071   5.349  -7.271
   51   HG22  THR   7          1HG2      THR   7  -5.469   6.504  -8.543
   52   HG23  THR   7          2HG2      THR   7  -5.194   4.808  -8.943
   53    H    GLU   8           H        GLU   8  -5.089   2.672  -6.936
   54    HA   GLU   8           HA       GLU   8  -4.909   1.176  -9.453
   55    HB2  GLU   8           2HB      GLU   8  -3.157   3.164  -8.378
   56    HB3  GLU   8           1HB      GLU   8  -2.319   1.622  -8.397
   57    HG2  GLU   8           2HG      GLU   8  -1.841   2.741 -10.412
   58    HG3  GLU   8           1HG      GLU   8  -2.916   1.405 -10.797
   59    H    SER   9           H        SER   9  -3.649  -0.771  -9.304
   60    HA   SER   9           HA       SER   9  -4.143  -2.119  -6.777
   61    HB2  SER   9           2HB      SER   9  -3.192  -3.222  -9.440
   62    HB3  SER   9           1HB      SER   9  -3.703  -4.175  -8.041
   63    HG   SER   9           HG       SER   9  -5.200  -3.054  -9.982
   64    H    GLY  10           H        GLY  10  -2.585  -2.237  -5.314
   65    HA2  GLY  10           2HA      GLY  10  -0.241  -2.927  -4.903
   66    HA3  GLY  10           1HA      GLY  10   0.199  -1.893  -6.253
   67    H    GLN  11           H        GLN  11  -2.218  -0.299  -4.749
   68    HA   GLN  11           HA       GLN  11  -0.353   1.374  -3.249
   69    HB2  GLN  11           2HB      GLN  11  -3.003   1.751  -4.453
   70    HB3  GLN  11           1HB      GLN  11  -2.857   2.477  -2.853
   71    HG2  GLN  11           2HG      GLN  11  -1.910   4.214  -3.850
   72    HG3  GLN  11           1HG      GLN  11  -0.511   3.182  -4.121
   73   HE21  GLN  11          1HE2      GLN  11  -3.221   4.740  -5.532
   74   HE22  GLN  11          2HE2      GLN  11  -2.805   4.425  -7.181
   75    H    ASN  12           H        ASN  12  -1.287   2.226  -1.047
   76    HA   ASN  12           HA       ASN  12  -2.762   0.147   0.345
   77    HB2  ASN  12           2HB      ASN  12  -1.059   0.251   2.253
   78    HB3  ASN  12           1HB      ASN  12  -0.702  -0.746   0.855
   79   HD21  ASN  12          1HD2      ASN  12   1.460  -0.692   1.494
   80   HD22  ASN  12          2HD2      ASN  12   2.473   0.671   1.161
   81    H    LEU  13           H        LEU  13  -0.952   3.121   0.994
   82    HA   LEU  13           HA       LEU  13  -2.410   3.946   3.239
   83    HB2  LEU  13           2HB      LEU  13  -0.747   5.481   1.254
   84    HB3  LEU  13           1HB      LEU  13  -1.439   6.222   2.684
   85    HG   LEU  13           HG       LEU  13   0.412   3.849   2.828
   86   HD11  LEU  13          1HD1      LEU  13   1.562   5.696   1.704
   87   HD12  LEU  13          2HD1      LEU  13   2.209   5.416   3.321
   88   HD13  LEU  13          3HD1      LEU  13   1.122   6.774   3.030
   89   HD21  LEU  13          3HD2      LEU  13  -0.345   5.940   4.865
   90   HD22  LEU  13          1HD2      LEU  13   0.690   4.540   5.130
   91   HD23  LEU  13          2HD2      LEU  13  -1.025   4.315   4.784
   92    H    CYS  14           H        CYS  14  -4.481   3.275   1.955
   93    HA   CYS  14           HA       CYS  14  -5.930   5.728   1.443
   94    HB2  CYS  14           2HB      CYS  14  -6.868   4.484  -0.716
   95    HB3  CYS  14           1HB      CYS  14  -5.452   5.522  -0.801
   96    HG   CYS  14           HG       CYS  14  -4.584   2.418  -0.069
   97    H    LEU  15           H        LEU  15  -8.284   5.362   1.449
   98    HA   LEU  15           HA       LEU  15  -9.059   3.139   3.084
   99    HB2  LEU  15           2HB      LEU  15 -11.431   4.092   2.086
  100    HB3  LEU  15           1HB      LEU  15 -10.665   4.610   3.571
  101    HG   LEU  15           HG       LEU  15  -9.934   6.033   1.051
  102   HD11  LEU  15          1HD1      LEU  15 -11.852   7.525   1.310
  103   HD12  LEU  15          2HD1      LEU  15 -12.483   6.495   2.595
  104   HD13  LEU  15          3HD1      LEU  15 -12.373   5.879   0.946
  105   HD21  LEU  15          3HD2      LEU  15  -9.793   7.926   2.592
  106   HD22  LEU  15          1HD2      LEU  15  -8.807   6.575   3.146
  107   HD23  LEU  15          2HD2      LEU  15 -10.362   6.902   3.907
  108    H    CYS  16           H        CYS  16  -8.922   1.226   2.251
  109    HA   CYS  16           HA       CYS  16  -9.397   0.755  -0.554
  110    HB2  CYS  16           2HB      CYS  16  -7.413  -0.219   0.382
  111    HB3  CYS  16           1HB      CYS  16  -8.330  -0.948   1.687
  112    HG   CYS  16           HG       CYS  16  -7.851  -3.142   0.323
  113    H    GLU  17           H        GLU  17 -10.225  -1.162   2.299
  114    HA   GLU  17           HA       GLU  17 -12.731  -1.988   1.134
  115    HB2  GLU  17           2HB      GLU  17 -11.308  -3.438   2.642
  116    HB3  GLU  17           1HB      GLU  17 -11.760  -2.381   3.969
  117    HG2  GLU  17           2HG      GLU  17 -13.080  -4.459   3.878
  118    HG3  GLU  17           1HG      GLU  17 -14.059  -2.998   3.774
  119    H    GLY  18           H        GLY  18 -14.776  -1.636   2.266
  120    HA2  GLY  18           2HA      GLY  18 -16.073   0.502   2.235
  121    HA3  GLY  18           1HA      GLY  18 -16.147  -0.324   3.775
  122    H    SER  19           H        SER  19 -14.656   0.417   5.472
  123    HA   SER  19           HA       SER  19 -13.888   3.238   5.084
  124    HB2  SER  19           2HB      SER  19 -14.340   3.445   7.589
  125    HB3  SER  19           1HB      SER  19 -15.757   3.274   6.551
  126    HG   SER  19           HG       SER  19 -16.037   1.224   7.230
  127    H    ASN  20           H        ASN  20 -12.463   0.483   5.036
  128    HA   ASN  20           HA       ASN  20 -10.573   0.743   7.224
  129    HB2  ASN  20           2HB      ASN  20 -10.722  -1.191   4.911
  130    HB3  ASN  20           1HB      ASN  20  -9.447  -1.219   6.118
  131   HD21  ASN  20          1HD2      ASN  20 -12.764  -0.439   6.882
  132   HD22  ASN  20          2HD2      ASN  20 -13.096  -1.881   7.773
  133    H    VAL  21           H        VAL  21  -9.141   2.339   7.061
  134    HA   VAL  21           HA       VAL  21  -7.980   2.989   4.465
  135    HB   VAL  21           HB       VAL  21  -7.276   4.317   7.079
  136   HG11  VAL  21          1HG1      VAL  21  -6.685   6.187   5.633
  137   HG12  VAL  21          2HG1      VAL  21  -7.145   5.238   4.219
  138   HG13  VAL  21          3HG1      VAL  21  -5.782   4.730   5.218
  139   HG21  VAL  21          3HG2      VAL  21  -9.518   5.045   5.197
  140   HG22  VAL  21          1HG2      VAL  21  -8.956   6.033   6.546
  141   HG23  VAL  21          2HG2      VAL  21  -9.694   4.462   6.851
  142    H    CYS  22           H        CYS  22  -6.426   1.640   3.873
  143    HA   CYS  22           HA       CYS  22  -4.886   0.226   5.848
  144    HB2  CYS  22           2HB      CYS  22  -5.458  -0.056   2.973
  145    HB3  CYS  22           1HB      CYS  22  -3.839  -0.543   3.459
  146    HG   CYS  22           HG       CYS  22  -4.499  -2.646   4.938
  147    H    GLY  23           H        GLY  23  -2.522  -0.097   5.427
  148    HA2  GLY  23           2HA      GLY  23  -1.162   2.286   4.453
  149    HA3  GLY  23           1HA      GLY  23  -0.925   1.847   6.139
  150    H    GLN  24           H        GLN  24   1.265   1.351   5.964
  151    HA   GLN  24           HA       GLN  24   2.094  -0.381   3.783
  152    HB2  GLN  24           2HB      GLN  24   3.637   1.135   5.888
  153    HB3  GLN  24           1HB      GLN  24   4.404   0.014   4.767
  154    HG2  GLN  24           2HG      GLN  24   3.540   1.330   2.887
  155    HG3  GLN  24           1HG      GLN  24   2.834   2.471   4.028
  156   HE21  GLN  24          1HE2      GLN  24   4.873   2.777   1.926
  157   HE22  GLN  24          2HE2      GLN  24   6.233   3.501   2.710
  158    H    GLY  25           H        GLY  25   2.846  -2.413   3.996
  159    HA2  GLY  25           2HA      GLY  25   3.224  -4.401   5.330
  160    HA3  GLY  25           1HA      GLY  25   2.148  -3.717   6.550
  161    H    ASN  26           H        ASN  26   0.508  -2.684   4.232
  162    HA   ASN  26           HA       ASN  26  -0.730  -5.207   3.354
  163    HB2  ASN  26           2HB      ASN  26  -2.003  -2.525   3.920
  164    HB3  ASN  26           1HB      ASN  26  -2.811  -3.790   3.009
  165   HD21  ASN  26          1HD2      ASN  26  -0.749  -4.319   5.812
  166   HD22  ASN  26          2HD2      ASN  26  -2.007  -4.898   6.847
  167    H    LYS  27           H        LYS  27  -1.720  -5.093   1.203
  168    HA   LYS  27           HA       LYS  27  -0.934  -2.847  -0.472
  169    HB2  LYS  27           2HB      LYS  27   0.870  -4.468  -0.791
  170    HB3  LYS  27           1HB      LYS  27  -0.301  -5.727  -1.157
  171    HG2  LYS  27           2HG      LYS  27  -0.723  -4.924  -3.250
  172    HG3  LYS  27           1HG      LYS  27  -0.344  -3.259  -2.809
  173    HD2  LYS  27           2HD      LYS  27   1.365  -4.071  -4.283
  174    HD3  LYS  27           1HD      LYS  27   2.048  -3.894  -2.666
  175    HE2  LYS  27           2HE      LYS  27   2.851  -5.947  -3.552
  176    HE3  LYS  27           1HE      LYS  27   1.645  -6.344  -2.332
  177    HZ1  LYS  27           3HZ      LYS  27   0.973  -6.181  -5.211
  178    HZ2  LYS  27           1HZ      LYS  27   0.091  -6.922  -3.969
  179    HZ3  LYS  27           2HZ      LYS  27   1.544  -7.610  -4.500
  180    H    CYS  28           H        CYS  28  -2.735  -2.188  -1.455
  181    HA   CYS  28           HA       CYS  28  -5.045  -3.949  -1.559
  182    HB2  CYS  28           2HB      CYS  28  -5.440  -1.733  -0.694
  183    HB3  CYS  28           1HB      CYS  28  -4.697  -0.997  -2.108
  184    HG   CYS  28           HG       CYS  28  -7.761  -1.230  -1.680
  185    H    ILE  29           H        ILE  29  -5.869  -4.810  -3.356
  186    HA   ILE  29           HA       ILE  29  -4.805  -3.945  -5.950
  187    HB   ILE  29           HB       ILE  29  -5.019  -6.427  -6.618
  188   HG12  ILE  29          2HG1      ILE  29  -4.666  -6.715  -3.632
  189   HG13  ILE  29          1HG1      ILE  29  -6.135  -7.119  -4.513
  190   HG21  ILE  29          1HG2      ILE  29  -2.795  -5.490  -4.807
  191   HG22  ILE  29          2HG2      ILE  29  -2.906  -5.237  -6.548
  192   HG23  ILE  29          3HG2      ILE  29  -2.706  -6.867  -5.906
  193   HD11  ILE  29          3HD1      ILE  29  -4.832  -9.104  -4.001
  194   HD12  ILE  29          1HD1      ILE  29  -3.450  -8.434  -4.869
  195   HD13  ILE  29          2HD1      ILE  29  -4.927  -8.843  -5.743
  196    H    LEU  30           H        LEU  30  -6.286  -3.495  -7.365
  197    HA   LEU  30           HA       LEU  30  -9.075  -4.030  -6.808
  198    HB2  LEU  30           2HB      LEU  30  -7.713  -2.382  -8.943
  199    HB3  LEU  30           1HB      LEU  30  -9.447  -2.560  -8.810
  200    HG   LEU  30           HG       LEU  30  -9.253  -1.526  -6.502
  201   HD11  LEU  30          1HD1      LEU  30  -7.285  -0.143  -6.088
  202   HD12  LEU  30          2HD1      LEU  30  -6.504  -0.836  -7.510
  203   HD13  LEU  30          3HD1      LEU  30  -6.890  -1.860  -6.126
  204   HD21  LEU  30          3HD2      LEU  30  -9.167   0.733  -7.387
  205   HD22  LEU  30          1HD2      LEU  30 -10.090  -0.326  -8.451
  206   HD23  LEU  30          2HD2      LEU  30  -8.442   0.136  -8.880
  207    H    GLY  31           H        GLY  31 -10.073  -5.720  -7.631
  208    HA2  GLY  31           2HA      GLY  31  -9.485  -6.518 -10.387
  209    HA3  GLY  31           1HA      GLY  31  -9.498  -7.749  -9.128
  210    H    ARG  32           H        ARG  32 -11.332  -8.802  -8.935
  211    HA   ARG  32           HA       ARG  32 -13.879  -7.435  -9.227
  212    HB2  ARG  32           2HB      ARG  32 -13.411  -9.957 -10.813
  213    HB3  ARG  32           1HB      ARG  32 -14.784  -8.868 -10.896
  214    HG2  ARG  32           2HG      ARG  32 -13.162  -7.140 -11.807
  215    HG3  ARG  32           1HG      ARG  32 -12.021  -8.475 -11.992
  216    HD2  ARG  32           2HD      ARG  32 -14.656  -8.044 -13.360
  217    HD3  ARG  32           1HD      ARG  32 -13.069  -8.309 -14.075
  218    HE   ARG  32           HE       ARG  32 -14.137 -10.517 -12.515
  219   HH11  ARG  32          1HH1      ARG  32 -13.608  -9.126 -15.686
  220   HH12  ARG  32          2HH1      ARG  32 -14.052 -10.574 -16.535
  221   HH21  ARG  32          1HH2      ARG  32 -14.700 -12.432 -13.624
  222   HH22  ARG  32          2HH2      ARG  32 -14.670 -12.456 -15.366
  223    H    GLY  33           H        GLY  33 -15.695  -9.041  -8.750
  224    HA2  GLY  33           2HA      GLY  33 -16.658 -10.636  -7.417
  225    HA3  GLY  33           1HA      GLY  33 -15.152 -11.532  -7.548
  226    H    ASP  34           H        ASP  34 -14.160 -11.918  -5.737
  227    HA   ASP  34           HA       ASP  34 -14.886 -10.453  -3.323
  228    HB2  ASP  34           2HB      ASP  34 -13.023 -12.825  -3.661
  229    HB3  ASP  34           1HB      ASP  34 -13.640 -12.193  -2.139
  230    H    SER  35           H        SER  35 -12.541 -10.423  -5.723
  231    HA   SER  35           HA       SER  35 -10.513  -9.188  -3.994
  232    HB2  SER  35           2HB      SER  35  -9.874 -11.162  -5.417
  233    HB3  SER  35           1HB      SER  35 -10.231 -10.190  -6.842
  234    HG   SER  35           HG       SER  35  -8.653  -8.646  -5.753
  235    H    LYS  36           H        LYS  36 -12.948  -7.878  -4.878
  236    HA   LYS  36           HA       LYS  36 -12.758  -6.295  -7.120
  237    HB2  LYS  36           2HB      LYS  36 -14.184  -4.663  -5.598
  238    HB3  LYS  36           1HB      LYS  36 -14.838  -6.179  -6.197
  239    HG2  LYS  36           2HG      LYS  36 -14.850  -7.155  -4.139
  240    HG3  LYS  36           1HG      LYS  36 -13.484  -6.220  -3.551
  241    HD2  LYS  36           2HD      LYS  36 -14.972  -4.209  -3.556
  242    HD3  LYS  36           1HD      LYS  36 -16.316  -5.288  -3.924
  243    HE2  LYS  36           2HE      LYS  36 -16.259  -4.829  -1.546
  244    HE3  LYS  36           1HE      LYS  36 -15.871  -6.523  -1.841
  245    HZ1  LYS  36           3HZ      LYS  36 -14.428  -5.429  -0.166
  246    HZ2  LYS  36           1HZ      LYS  36 -13.842  -4.399  -1.376
  247    HZ3  LYS  36           2HZ      LYS  36 -13.563  -6.071  -1.470
  248    H    ASN  37           H        ASN  37 -11.903  -5.270  -3.846
  249    HA   ASN  37           HA       ASN  37  -9.751  -3.603  -4.738
  250    HB2  ASN  37           2HB      ASN  37 -11.926  -2.222  -4.927
  251    HB3  ASN  37           1HB      ASN  37 -12.027  -2.344  -3.177
  252   HD21  ASN  37          1HD2      ASN  37 -10.384  -1.335  -1.918
  253   HD22  ASN  37          2HD2      ASN  37  -9.485  -0.008  -2.562
  254    H    GLN  38           H        GLN  38  -8.653  -5.213  -3.411
  255    HA   GLN  38           HA       GLN  38  -9.646  -5.381  -0.637
  256    HB2  GLN  38           2HB      GLN  38  -9.762  -7.332  -2.511
  257    HB3  GLN  38           1HB      GLN  38  -8.227  -7.705  -1.749
  258    HG2  GLN  38           2HG      GLN  38 -10.133  -8.922  -0.771
  259    HG3  GLN  38           1HG      GLN  38  -9.281  -7.911   0.395
  260   HE21  GLN  38          1HE2      GLN  38 -10.336  -6.201   1.335
  261   HE22  GLN  38          2HE2      GLN  38 -12.031  -5.878   1.112
  262    H    CYS  39           H        CYS  39  -8.178  -5.765   1.021
  263    HA   CYS  39           HA       CYS  39  -5.488  -4.786   0.492
  264    HB2  CYS  39           2HB      CYS  39  -6.986  -5.218   3.066
  265    HB3  CYS  39           1HB      CYS  39  -5.360  -4.570   2.953
  266    HG   CYS  39           HG       CYS  39  -6.976  -2.423   3.494
  267    H    VAL  40           H        VAL  40  -4.322  -6.520  -0.232
  268    HA   VAL  40           HA       VAL  40  -4.294  -8.959   1.359
  269    HB   VAL  40           HB       VAL  40  -4.163  -8.762  -1.238
  270   HG11  VAL  40          1HG1      VAL  40  -1.271  -8.343  -0.515
  271   HG12  VAL  40          2HG1      VAL  40  -2.318  -7.213  -1.374
  272   HG13  VAL  40          3HG1      VAL  40  -1.872  -8.747  -2.123
  273   HG21  VAL  40          3HG2      VAL  40  -2.848 -10.844  -1.355
  274   HG22  VAL  40          1HG2      VAL  40  -4.051 -10.867  -0.066
  275   HG23  VAL  40          2HG2      VAL  40  -2.351 -10.600   0.318
  276    H    THR  41           H        THR  41  -2.084  -9.781   2.074
  277    HA   THR  41           HA       THR  41  -0.802  -7.555   3.418
  278    HB   THR  41           HB       THR  41   0.462  -9.440   4.604
  279    HG1  THR  41           HG1      THR  41  -0.868 -11.447   4.513
  280   HG21  THR  41          3HG2      THR  41  -2.534  -9.175   4.858
  281   HG22  THR  41          1HG2      THR  41  -1.317  -8.192   5.671
  282   HG23  THR  41          2HG2      THR  41  -1.480  -9.902   6.070
  283    H    GLY  42           H        GLY  42   1.038  -6.721   2.934
  284    HA2  GLY  42           2HA      GLY  42   3.345  -7.961   2.018
  285    HA3  GLY  42           1HA      GLY  42   2.464  -7.436   0.585
  286    H    GLU  43           H        GLU  43   3.624  -5.692  -0.100
  287    HA   GLU  43           HA       GLU  43   3.437  -3.366   1.645
  288    HB2  GLU  43           2HB      GLU  43   6.026  -4.258   0.372
  289    HB3  GLU  43           1HB      GLU  43   5.755  -2.632   0.987
  290    HG2  GLU  43           2HG      GLU  43   5.087  -3.910   3.177
  291    HG3  GLU  43           1HG      GLU  43   6.066  -5.194   2.470
  292    H    GLY  44           H        GLY  44   2.254  -2.012   0.563
  293    HA2  GLY  44           2HA      GLY  44   2.171  -2.098  -2.332
  294    HA3  GLY  44           1HA      GLY  44   1.081  -1.215  -1.283
  295    H    THR  45           H        THR  45   1.161   0.781  -2.107
  296    HA   THR  45           HA       THR  45   3.658   2.270  -1.896
  297    HB   THR  45           HB       THR  45   2.344   3.127  -4.295
  298    HG1  THR  45           HG1      THR  45   2.074   0.543  -4.009
  299   HG21  THR  45          3HG2      THR  45   4.567   2.652  -5.292
  300   HG22  THR  45          1HG2      THR  45   5.044   1.877  -3.780
  301   HG23  THR  45          2HG2      THR  45   4.662   3.600  -3.809
  302    HA   PRO  46           HA       PRO  46   0.922   5.459  -0.356
  303    HB2  PRO  46           2HB      PRO  46   2.751   7.353  -1.719
  304    HB3  PRO  46           1HB      PRO  46   2.276   7.278  -0.019
  305    HG2  PRO  46           2HG      PRO  46   4.714   6.517  -0.801
  306    HG3  PRO  46           1HG      PRO  46   3.850   5.656   0.486
  307    HD2  PRO  46           2HD      PRO  46   4.245   4.888  -2.378
  308    HD3  PRO  46           1HD      PRO  46   4.271   3.870  -0.922
  309    H    LYS  47           H        LYS  47  -0.869   6.388  -1.189
  310    HA   LYS  47           HA       LYS  47  -1.206   6.262  -4.063
  311    HB2  LYS  47           2HB      LYS  47  -2.843   5.342  -2.320
  312    HB3  LYS  47           1HB      LYS  47  -3.289   7.019  -2.022
  313    HG2  LYS  47           2HG      LYS  47  -3.442   6.869  -4.732
  314    HG3  LYS  47           1HG      LYS  47  -3.954   5.259  -4.239
  315    HD2  LYS  47           2HD      LYS  47  -5.775   6.057  -3.051
  316    HD3  LYS  47           1HD      LYS  47  -5.093   7.679  -2.910
  317    HE2  LYS  47           2HE      LYS  47  -5.327   7.850  -5.419
  318    HE3  LYS  47           1HE      LYS  47  -6.265   6.364  -5.351
  319    HZ1  LYS  47           3HZ      LYS  47  -7.584   8.464  -5.343
  320    HZ2  LYS  47           1HZ      LYS  47  -6.970   8.790  -3.802
  321    HZ3  LYS  47           2HZ      LYS  47  -7.922   7.411  -4.067
  322    HA   PRO  48           HA       PRO  48  -0.745  10.708  -4.598
  323    HB2  PRO  48           2HB      PRO  48  -2.279  10.178  -7.073
  324    HB3  PRO  48           1HB      PRO  48  -0.696  10.936  -6.871
  325    HG2  PRO  48           2HG      PRO  48  -0.926   8.469  -7.873
  326    HG3  PRO  48           1HG      PRO  48   0.415   8.902  -6.794
  327    HD2  PRO  48           2HD      PRO  48  -2.092   7.378  -6.184
  328    HD3  PRO  48           1HD      PRO  48  -0.430   7.083  -5.631
  329    H    GLN  49           H        GLN  49  -2.049  12.479  -4.362
  330    HA   GLN  49           HA       GLN  49  -4.860  12.498  -4.405
  331    HB2  GLN  49           2HB      GLN  49  -5.158  12.419  -1.871
  332    HB3  GLN  49           1HB      GLN  49  -4.943  10.900  -2.720
  333    HG2  GLN  49           2HG      GLN  49  -2.612  10.847  -2.086
  334    HG3  GLN  49           1HG      GLN  49  -2.786  12.386  -1.254
  335   HE21  GLN  49          1HE2      GLN  49  -2.131  11.469   0.685
  336   HE22  GLN  49          2HE2      GLN  49  -3.168  10.448   1.618
  337    H    SER  50           H        SER  50  -1.850  13.715  -3.459
  338    HA   SER  50           HA       SER  50  -2.939  16.139  -2.260
  339    HB2  SER  50           2HB      SER  50  -0.070  15.317  -2.781
  340    HB3  SER  50           1HB      SER  50  -0.579  16.734  -1.869
  341    HG   SER  50           HG       SER  50  -0.303  14.198  -1.029
  342    H    HIS  51           H        HIS  51  -4.045  16.465  -4.407
  343    HA   HIS  51           HA       HIS  51  -2.375  17.369  -6.589
  344    HB2  HIS  51           2HB      HIS  51  -5.354  17.364  -6.197
  345    HB3  HIS  51           1HB      HIS  51  -4.574  17.968  -7.645
  346    HD1  HIS  51           HD1      HIS  51  -3.699  16.282  -9.327
  347    HD2  HIS  51           HD2      HIS  51  -5.303  14.533  -5.908
  348    HE1  HIS  51           HE1      HIS  51  -3.894  13.825  -9.846
  349    HE2  HIS  51           HE2      HIS  51  -5.038  12.819  -7.835
  Start of MODEL   16
    1    H1   VAL   1           1H       VAL   1  -4.245  11.981   9.560
    2    H2   VAL   1           2H       VAL   1  -4.521  13.628   9.295
    3    H3   VAL   1           3H       VAL   1  -2.961  13.082   9.671
    4    HA   VAL   1           HA       VAL   1  -3.121  13.591   7.343
    5    HB   VAL   1           HB       VAL   1  -2.495  11.355   6.392
    6   HG11  VAL   1          1HG1      VAL   1  -1.205  12.077   9.021
    7   HG12  VAL   1          2HG1      VAL   1  -0.843  12.808   7.458
    8   HG13  VAL   1          3HG1      VAL   1  -0.475  11.106   7.742
    9   HG21  VAL   1          3HG2      VAL   1  -3.994   9.966   7.733
   10   HG22  VAL   1          1HG2      VAL   1  -3.089  10.386   9.187
   11   HG23  VAL   1          2HG2      VAL   1  -2.317   9.445   7.909
   12    H    VAL   2           H        VAL   2  -4.237  13.584   5.447
   13    HA   VAL   2           HA       VAL   2  -6.939  12.411   5.578
   14    HB   VAL   2           HB       VAL   2  -5.982  14.728   3.882
   15   HG11  VAL   2          1HG1      VAL   2  -8.755  13.632   4.344
   16   HG12  VAL   2          2HG1      VAL   2  -7.824  13.518   2.851
   17   HG13  VAL   2          3HG1      VAL   2  -8.369  15.092   3.434
   18   HG21  VAL   2          3HG2      VAL   2  -6.003  15.286   6.265
   19   HG22  VAL   2          1HG2      VAL   2  -7.676  14.740   6.379
   20   HG23  VAL   2          2HG2      VAL   2  -7.272  16.144   5.391
   21    H    TYR   3           H        TYR   3  -7.290  10.709   4.325
   22    HA   TYR   3           HA       TYR   3  -5.618  10.360   1.926
   23    HB2  TYR   3           2HB      TYR   3  -6.982   8.279   3.647
   24    HB3  TYR   3           1HB      TYR   3  -6.151   7.929   2.138
   25    HD1  TYR   3           HD2      TYR   3  -3.658   9.121   2.144
   26    HD2  TYR   3           HD1      TYR   3  -5.811   7.703   5.527
   27    HE1  TYR   3           HE2      TYR   3  -1.545   8.862   3.373
   28    HE2  TYR   3           HE1      TYR   3  -3.702   7.433   6.760
   29    HH   TYR   3           HH       TYR   3  -1.352   7.185   6.365
   30    H    THR   4           H        THR   4  -6.789   8.838   0.319
   31    HA   THR   4           HA       THR   4  -9.619   9.508   0.086
   32    HB   THR   4           HB       THR   4  -9.038   9.622  -2.488
   33    HG1  THR   4           HG1      THR   4  -6.680  10.811  -1.486
   34   HG21  THR   4          3HG2      THR   4 -10.066  11.437  -1.209
   35   HG22  THR   4          1HG2      THR   4  -8.854  12.060  -2.325
   36   HG23  THR   4          2HG2      THR   4  -8.479  11.919  -0.606
   37    H    ASP   5           H        ASP   5  -9.937   8.167  -2.427
   38    HA   ASP   5           HA       ASP   5  -9.846   5.453  -1.364
   39    HB2  ASP   5           2HB      ASP   5 -11.088   6.529  -3.917
   40    HB3  ASP   5           1HB      ASP   5 -11.272   4.887  -3.313
   41    H    CYS   6           H        CYS   6  -9.011   3.686  -2.558
   42    HA   CYS   6           HA       CYS   6  -6.490   4.122  -3.739
   43    HB2  CYS   6           2HB      CYS   6  -8.151   1.617  -4.009
   44    HB3  CYS   6           1HB      CYS   6  -6.398   1.757  -4.055
   45    HG   CYS   6           HG       CYS   6  -8.436   2.024  -1.326
   46    H    THR   7           H        THR   7  -5.869   4.285  -5.810
   47    HA   THR   7           HA       THR   7  -7.969   4.380  -7.852
   48    HB   THR   7           HB       THR   7  -5.151   5.428  -8.104
   49    HG1  THR   7           HG1      THR   7  -7.502   6.742  -7.132
   50   HG21  THR   7          3HG2      THR   7  -7.716   6.130  -9.542
   51   HG22  THR   7          1HG2      THR   7  -6.389   5.178 -10.205
   52   HG23  THR   7          2HG2      THR   7  -6.144   6.881  -9.817
   53    H    GLU   8           H        GLU   8  -5.221   2.579  -6.851
   54    HA   GLU   8           HA       GLU   8  -5.304   1.030  -9.314
   55    HB2  GLU   8           2HB      GLU   8  -3.259   2.913  -8.711
   56    HB3  GLU   8           1HB      GLU   8  -2.568   1.304  -8.571
   57    HG2  GLU   8           2HG      GLU   8  -4.073   2.317 -10.972
   58    HG3  GLU   8           1HG      GLU   8  -2.316   2.287 -10.817
   59    H    SER   9           H        SER   9  -4.121  -0.967  -9.154
   60    HA   SER   9           HA       SER   9  -4.429  -2.179  -6.535
   61    HB2  SER   9           2HB      SER   9  -3.513  -3.435  -9.138
   62    HB3  SER   9           1HB      SER   9  -4.096  -4.279  -7.699
   63    HG   SER   9           HG       SER   9  -5.509  -2.955  -9.688
   64    H    GLY  10           H        GLY  10  -2.798  -2.449  -5.154
   65    HA2  GLY  10           2HA      GLY  10  -0.447  -3.037  -4.788
   66    HA3  GLY  10           1HA      GLY  10  -0.050  -2.058  -6.194
   67    H    GLN  11           H        GLN  11  -2.369  -0.342  -4.841
   68    HA   GLN  11           HA       GLN  11  -0.527   1.322  -3.309
   69    HB2  GLN  11           2HB      GLN  11  -3.075   1.751  -4.706
   70    HB3  GLN  11           1HB      GLN  11  -2.956   2.584  -3.159
   71    HG2  GLN  11           2HG      GLN  11  -1.796   4.172  -4.156
   72    HG3  GLN  11           1HG      GLN  11  -0.510   3.006  -4.455
   73   HE21  GLN  11          1HE2      GLN  11  -3.143   4.768  -5.794
   74   HE22  GLN  11          2HE2      GLN  11  -2.847   4.365  -7.446
   75    H    ASN  12           H        ASN  12  -1.247   2.196  -1.182
   76    HA   ASN  12           HA       ASN  12  -3.009   0.335   0.221
   77    HB2  ASN  12           2HB      ASN  12  -1.369   0.451   2.181
   78    HB3  ASN  12           1HB      ASN  12  -1.027  -0.636   0.850
   79   HD21  ASN  12          1HD2      ASN  12   1.114  -0.690   1.490
   80   HD22  ASN  12          2HD2      ASN  12   2.203   0.611   1.135
   81    H    LEU  13           H        LEU  13  -1.078   3.254   0.799
   82    HA   LEU  13           HA       LEU  13  -2.540   4.262   2.966
   83    HB2  LEU  13           2HB      LEU  13  -0.839   5.666   0.911
   84    HB3  LEU  13           1HB      LEU  13  -1.481   6.459   2.337
   85    HG   LEU  13           HG       LEU  13   0.342   4.054   2.456
   86   HD11  LEU  13          1HD1      LEU  13   2.117   5.648   3.030
   87   HD12  LEU  13          2HD1      LEU  13   1.019   6.985   2.688
   88   HD13  LEU  13          3HD1      LEU  13   1.517   5.899   1.392
   89   HD21  LEU  13          3HD2      LEU  13  -0.366   6.100   4.554
   90   HD22  LEU  13          1HD2      LEU  13   0.591   4.636   4.769
   91   HD23  LEU  13          2HD2      LEU  13  -1.133   4.520   4.415
   92    H    CYS  14           H        CYS  14  -4.581   3.564   1.626
   93    HA   CYS  14           HA       CYS  14  -6.041   5.985   1.071
   94    HB2  CYS  14           2HB      CYS  14  -6.884   4.818  -1.137
   95    HB3  CYS  14           1HB      CYS  14  -5.411   5.765  -1.154
   96    HG   CYS  14           HG       CYS  14  -5.562   2.352  -0.956
   97    H    LEU  15           H        LEU  15  -8.421   5.491   0.963
   98    HA   LEU  15           HA       LEU  15  -9.043   3.316   2.750
   99    HB2  LEU  15           2HB      LEU  15 -11.446   4.355   1.633
  100    HB3  LEU  15           1HB      LEU  15 -10.822   4.536   3.252
  101    HG   LEU  15           HG       LEU  15  -9.944   6.380   1.039
  102   HD11  LEU  15          1HD1      LEU  15 -12.374   6.489   1.133
  103   HD12  LEU  15          2HD1      LEU  15 -11.659   7.949   1.817
  104   HD13  LEU  15          3HD1      LEU  15 -12.311   6.704   2.882
  105   HD21  LEU  15          3HD2      LEU  15 -10.083   6.733   4.032
  106   HD22  LEU  15          1HD2      LEU  15  -9.416   7.872   2.864
  107   HD23  LEU  15          2HD2      LEU  15  -8.627   6.317   3.128
  108    H    CYS  16           H        CYS  16  -8.706   1.421   1.836
  109    HA   CYS  16           HA       CYS  16  -9.378   0.768  -0.843
  110    HB2  CYS  16           2HB      CYS  16  -7.552  -0.383   0.157
  111    HB3  CYS  16           1HB      CYS  16  -8.516  -0.847   1.547
  112    HG   CYS  16           HG       CYS  16 -10.219  -2.334  -0.509
  113    H    GLU  17           H        GLU  17 -10.436  -0.950   2.033
  114    HA   GLU  17           HA       GLU  17 -12.981  -1.570   0.771
  115    HB2  GLU  17           2HB      GLU  17 -11.293  -2.983   2.381
  116    HB3  GLU  17           1HB      GLU  17 -12.442  -2.384   3.567
  117    HG2  GLU  17           2HG      GLU  17 -13.271  -3.855   1.079
  118    HG3  GLU  17           1HG      GLU  17 -12.889  -4.671   2.593
  119    H    GLY  18           H        GLY  18 -14.999  -1.269   2.053
  120    HA2  GLY  18           2HA      GLY  18 -16.297   0.763   2.503
  121    HA3  GLY  18           1HA      GLY  18 -16.057  -0.133   3.986
  122    H    SER  19           H        SER  19 -14.672   0.673   5.569
  123    HA   SER  19           HA       SER  19 -13.499   3.327   5.010
  124    HB2  SER  19           2HB      SER  19 -13.774   3.699   7.513
  125    HB3  SER  19           1HB      SER  19 -15.265   3.705   6.572
  126    HG   SER  19           HG       SER  19 -14.489   2.065   8.595
  127    H    ASN  20           H        ASN  20 -12.513   0.487   4.861
  128    HA   ASN  20           HA       ASN  20 -10.459   0.327   6.867
  129    HB2  ASN  20           2HB      ASN  20 -11.019  -1.250   4.365
  130    HB3  ASN  20           1HB      ASN  20  -9.588  -1.530   5.356
  131   HD21  ASN  20          1HD2      ASN  20 -13.080  -1.555   5.329
  132   HD22  ASN  20          2HD2      ASN  20 -13.266  -2.612   6.672
  133    H    VAL  21           H        VAL  21  -9.147   1.947   6.822
  134    HA   VAL  21           HA       VAL  21  -8.028   2.953   4.325
  135    HB   VAL  21           HB       VAL  21  -7.380   3.826   7.153
  136   HG11  VAL  21          1HG1      VAL  21  -6.626   5.893   6.069
  137   HG12  VAL  21          2HG1      VAL  21  -6.975   5.187   4.491
  138   HG13  VAL  21          3HG1      VAL  21  -5.720   4.487   5.512
  139   HG21  VAL  21          3HG2      VAL  21  -9.445   4.934   5.254
  140   HG22  VAL  21          1HG2      VAL  21  -8.965   5.671   6.783
  141   HG23  VAL  21          2HG2      VAL  21  -9.759   4.096   6.773
  142    H    CYS  22           H        CYS  22  -6.569   1.555   3.535
  143    HA   CYS  22           HA       CYS  22  -4.926  -0.071   5.211
  144    HB2  CYS  22           2HB      CYS  22  -5.716  -0.041   2.488
  145    HB3  CYS  22           1HB      CYS  22  -3.961   0.026   2.515
  146    HG   CYS  22           HG       CYS  22  -5.988  -2.426   3.710
  147    H    GLY  23           H        GLY  23  -2.607  -0.071   5.223
  148    HA2  GLY  23           2HA      GLY  23  -1.343   2.476   4.510
  149    HA3  GLY  23           1HA      GLY  23  -1.214   1.898   6.167
  150    H    GLN  24           H        GLN  24   1.083   1.738   6.000
  151    HA   GLN  24           HA       GLN  24   2.137   0.075   3.860
  152    HB2  GLN  24           2HB      GLN  24   3.327   2.143   4.569
  153    HB3  GLN  24           1HB      GLN  24   3.620   1.403   6.137
  154    HG2  GLN  24           2HG      GLN  24   5.021  -0.262   5.185
  155    HG3  GLN  24           1HG      GLN  24   4.558   0.200   3.550
  156   HE21  GLN  24          1HE2      GLN  24   4.701   3.055   4.165
  157   HE22  GLN  24          2HE2      GLN  24   6.389   3.443   4.213
  158    H    GLY  25           H        GLY  25   3.022  -1.919   4.095
  159    HA2  GLY  25           2HA      GLY  25   3.466  -3.924   5.307
  160    HA3  GLY  25           1HA      GLY  25   2.515  -3.284   6.653
  161    H    ASN  26           H        ASN  26   0.750  -2.313   4.282
  162    HA   ASN  26           HA       ASN  26  -0.564  -4.862   3.660
  163    HB2  ASN  26           2HB      ASN  26  -1.884  -2.230   4.366
  164    HB3  ASN  26           1HB      ASN  26  -2.736  -3.607   3.677
  165   HD21  ASN  26          1HD2      ASN  26  -1.187  -2.317   6.501
  166   HD22  ASN  26          2HD2      ASN  26  -1.753  -3.518   7.606
  167    H    LYS  27           H        LYS  27  -1.921  -4.698   1.702
  168    HA   LYS  27           HA       LYS  27  -1.201  -2.580  -0.149
  169    HB2  LYS  27           2HB      LYS  27   0.637  -4.116  -0.463
  170    HB3  LYS  27           1HB      LYS  27  -0.465  -5.478  -0.595
  171    HG2  LYS  27           2HG      LYS  27  -1.184  -4.843  -2.723
  172    HG3  LYS  27           1HG      LYS  27  -0.558  -3.202  -2.542
  173    HD2  LYS  27           2HD      LYS  27   0.837  -4.568  -4.039
  174    HD3  LYS  27           1HD      LYS  27   1.720  -4.030  -2.608
  175    HE2  LYS  27           2HE      LYS  27   2.249  -6.347  -3.086
  176    HE3  LYS  27           1HE      LYS  27   1.343  -6.238  -1.577
  177    HZ1  LYS  27           3HZ      LYS  27   0.183  -6.957  -4.217
  178    HZ2  LYS  27           1HZ      LYS  27  -0.637  -6.935  -2.737
  179    HZ3  LYS  27           2HZ      LYS  27   0.590  -8.065  -2.999
  180    H    CYS  28           H        CYS  28  -3.035  -2.034  -1.169
  181    HA   CYS  28           HA       CYS  28  -5.242  -3.916  -1.181
  182    HB2  CYS  28           2HB      CYS  28  -5.853  -1.687  -0.545
  183    HB3  CYS  28           1HB      CYS  28  -5.049  -1.003  -1.953
  184    HG   CYS  28           HG       CYS  28  -7.994  -2.712  -1.862
  185    H    ILE  29           H        ILE  29  -6.058  -4.871  -2.959
  186    HA   ILE  29           HA       ILE  29  -4.915  -4.139  -5.560
  187    HB   ILE  29           HB       ILE  29  -5.265  -6.644  -6.125
  188   HG12  ILE  29          2HG1      ILE  29  -4.889  -6.796  -3.131
  189   HG13  ILE  29          1HG1      ILE  29  -6.391  -7.169  -3.974
  190   HG21  ILE  29          1HG2      ILE  29  -2.964  -7.150  -5.420
  191   HG22  ILE  29          2HG2      ILE  29  -2.977  -5.719  -4.388
  192   HG23  ILE  29          3HG2      ILE  29  -3.102  -5.546  -6.138
  193   HD11  ILE  29          3HD1      ILE  29  -3.779  -8.639  -4.263
  194   HD12  ILE  29          1HD1      ILE  29  -5.267  -9.004  -5.138
  195   HD13  ILE  29          2HD1      ILE  29  -5.205  -9.195  -3.386
  196    H    LEU  30           H        LEU  30  -6.379  -3.575  -6.952
  197    HA   LEU  30           HA       LEU  30  -9.172  -4.238  -6.523
  198    HB2  LEU  30           2HB      LEU  30  -7.813  -2.339  -8.442
  199    HB3  LEU  30           1HB      LEU  30  -9.537  -2.651  -8.453
  200    HG   LEU  30           HG       LEU  30  -9.526  -1.850  -6.017
  201   HD11  LEU  30          1HD1      LEU  30  -7.740  -0.313  -5.409
  202   HD12  LEU  30          2HD1      LEU  30  -6.877  -0.716  -6.892
  203   HD13  LEU  30          3HD1      LEU  30  -7.119  -1.946  -5.652
  204   HD21  LEU  30          3HD2      LEU  30  -9.694   0.480  -6.699
  205   HD22  LEU  30          1HD2      LEU  30 -10.479  -0.579  -7.869
  206   HD23  LEU  30          2HD2      LEU  30  -8.890   0.103  -8.223
  207    H    GLY  31           H        GLY  31  -8.984  -6.455  -7.040
  208    HA2  GLY  31           2HA      GLY  31  -8.047  -7.121  -9.736
  209    HA3  GLY  31           1HA      GLY  31  -8.325  -8.258  -8.427
  210    H    ARG  32           H        ARG  32 -10.168  -9.363  -8.394
  211    HA   ARG  32           HA       ARG  32 -12.520  -8.472  -9.803
  212    HB2  ARG  32           2HB      ARG  32 -12.530 -10.540 -11.268
  213    HB3  ARG  32           1HB      ARG  32 -11.361  -9.302 -11.709
  214    HG2  ARG  32           2HG      ARG  32  -9.640 -10.616 -10.436
  215    HG3  ARG  32           1HG      ARG  32 -10.839 -11.902 -10.289
  216    HD2  ARG  32           2HD      ARG  32  -9.893 -10.734 -12.902
  217    HD3  ARG  32           1HD      ARG  32  -9.253 -12.208 -12.180
  218    HE   ARG  32           HE       ARG  32 -12.060 -12.409 -12.409
  219   HH11  ARG  32          1HH1      ARG  32  -9.184 -12.362 -14.401
  220   HH12  ARG  32          2HH1      ARG  32  -9.861 -13.359 -15.652
  221   HH21  ARG  32          1HH2      ARG  32 -12.977 -13.704 -14.053
  222   HH22  ARG  32          2HH2      ARG  32 -12.019 -14.146 -15.438
  223    H    GLY  33           H        GLY  33 -14.321 -10.003  -9.550
  224    HA2  GLY  33           2HA      GLY  33 -15.566 -11.547  -8.369
  225    HA3  GLY  33           1HA      GLY  33 -14.062 -12.259  -7.796
  226    H    ASP  34           H        ASP  34 -13.938 -12.253  -5.667
  227    HA   ASP  34           HA       ASP  34 -15.197 -10.083  -4.150
  228    HB2  ASP  34           2HB      ASP  34 -14.036 -12.748  -3.328
  229    HB3  ASP  34           1HB      ASP  34 -14.486 -11.515  -2.154
  230    H    SER  35           H        SER  35 -12.275 -10.937  -5.494
  231    HA   SER  35           HA       SER  35 -10.691  -9.436  -3.541
  232    HB2  SER  35           2HB      SER  35  -9.978 -11.707  -4.417
  233    HB3  SER  35           1HB      SER  35  -9.693 -10.929  -5.968
  234    HG   SER  35           HG       SER  35  -7.768 -10.864  -4.949
  235    H    LYS  36           H        LYS  36 -12.665  -8.425  -5.502
  236    HA   LYS  36           HA       LYS  36 -11.370  -6.938  -7.524
  237    HB2  LYS  36           2HB      LYS  36 -13.522  -5.540  -7.342
  238    HB3  LYS  36           1HB      LYS  36 -13.683  -7.235  -7.787
  239    HG2  LYS  36           2HG      LYS  36 -14.462  -7.836  -5.668
  240    HG3  LYS  36           1HG      LYS  36 -13.927  -6.324  -4.942
  241    HD2  LYS  36           2HD      LYS  36 -15.608  -5.141  -6.374
  242    HD3  LYS  36           1HD      LYS  36 -16.196  -6.721  -6.896
  243    HE2  LYS  36           2HE      LYS  36 -17.597  -5.894  -5.120
  244    HE3  LYS  36           1HE      LYS  36 -16.674  -7.279  -4.537
  245    HZ1  LYS  36           3HZ      LYS  36 -15.919  -4.443  -4.065
  246    HZ2  LYS  36           1HZ      LYS  36 -15.170  -5.815  -3.405
  247    HZ3  LYS  36           2HZ      LYS  36 -16.752  -5.409  -2.947
  248    H    ASN  37           H        ASN  37 -11.884  -6.437  -4.154
  249    HA   ASN  37           HA       ASN  37 -10.040  -4.226  -4.131
  250    HB2  ASN  37           2HB      ASN  37 -12.180  -3.061  -4.433
  251    HB3  ASN  37           1HB      ASN  37 -12.872  -3.946  -3.074
  252   HD21  ASN  37          1HD2      ASN  37 -10.621  -1.473  -4.034
  253   HD22  ASN  37          2HD2      ASN  37 -10.445  -0.762  -2.476
  254    H    GLN  38           H        GLN  38  -8.697  -5.590  -2.957
  255    HA   GLN  38           HA       GLN  38  -9.723  -6.353  -0.303
  256    HB2  GLN  38           2HB      GLN  38  -9.622  -8.357  -1.635
  257    HB3  GLN  38           1HB      GLN  38  -7.983  -7.987  -2.148
  258    HG2  GLN  38           2HG      GLN  38  -7.871  -9.683  -0.487
  259    HG3  GLN  38           1HG      GLN  38  -7.254  -8.196   0.214
  260   HE21  GLN  38          1HE2      GLN  38  -7.641  -8.815   2.311
  261   HE22  GLN  38          2HE2      GLN  38  -9.231  -8.967   2.973
  262    H    CYS  39           H        CYS  39  -8.467  -5.949   1.398
  263    HA   CYS  39           HA       CYS  39  -5.863  -4.727   0.989
  264    HB2  CYS  39           2HB      CYS  39  -7.621  -5.113   3.397
  265    HB3  CYS  39           1HB      CYS  39  -5.967  -4.545   3.541
  266    HG   CYS  39           HG       CYS  39  -7.877  -2.829   1.373
  267    H    VAL  40           H        VAL  40  -4.580  -6.442   0.305
  268    HA   VAL  40           HA       VAL  40  -4.358  -8.786   2.016
  269    HB   VAL  40           HB       VAL  40  -4.289  -8.809  -0.549
  270   HG11  VAL  40          1HG1      VAL  40  -2.722  -7.006  -0.901
  271   HG12  VAL  40          2HG1      VAL  40  -2.095  -8.507  -1.581
  272   HG13  VAL  40          3HG1      VAL  40  -1.464  -7.902  -0.049
  273   HG21  VAL  40          3HG2      VAL  40  -2.628 -10.648  -0.590
  274   HG22  VAL  40          1HG2      VAL  40  -3.784 -10.777   0.737
  275   HG23  VAL  40          2HG2      VAL  40  -2.147 -10.201   1.047
  276    H    THR  41           H        THR  41  -2.202  -9.432   2.826
  277    HA   THR  41           HA       THR  41  -0.827  -7.113   3.897
  278    HB   THR  41           HB       THR  41   0.470  -8.897   5.187
  279    HG1  THR  41           HG1      THR  41  -0.270 -10.966   5.117
  280   HG21  THR  41          3HG2      THR  41  -1.326  -7.600   6.207
  281   HG22  THR  41          1HG2      THR  41  -1.375  -9.271   6.773
  282   HG23  THR  41          2HG2      THR  41  -2.523  -8.719   5.553
  283    H    GLY  42           H        GLY  42   1.007  -6.372   3.230
  284    HA2  GLY  42           2HA      GLY  42   3.195  -7.695   2.221
  285    HA3  GLY  42           1HA      GLY  42   2.175  -7.350   0.830
  286    H    GLU  43           H        GLU  43   3.564  -5.863  -0.088
  287    HA   GLU  43           HA       GLU  43   3.928  -3.398   1.487
  288    HB2  GLU  43           2HB      GLU  43   5.837  -4.300  -0.665
  289    HB3  GLU  43           1HB      GLU  43   6.087  -3.074   0.568
  290    HG2  GLU  43           2HG      GLU  43   5.899  -6.042   1.047
  291    HG3  GLU  43           1HG      GLU  43   7.380  -5.091   1.012
  292    H    GLY  44           H        GLY  44   2.500  -2.005   0.671
  293    HA2  GLY  44           2HA      GLY  44   1.826  -2.103  -2.156
  294    HA3  GLY  44           1HA      GLY  44   0.998  -1.171  -0.921
  295    H    THR  45           H        THR  45   0.992   0.756  -1.930
  296    HA   THR  45           HA       THR  45   3.507   2.190  -2.099
  297    HB   THR  45           HB       THR  45   2.257   1.092  -4.411
  298    HG1  THR  45           HG1      THR  45   4.346   1.262  -4.713
  299   HG21  THR  45          3HG2      THR  45   2.211   4.107  -4.402
  300   HG22  THR  45          1HG2      THR  45   0.811   3.040  -4.514
  301   HG23  THR  45          2HG2      THR  45   1.993   3.081  -5.820
  302    HA   PRO  46           HA       PRO  46   0.926   5.483  -0.580
  303    HB2  PRO  46           2HB      PRO  46   2.691   7.275  -2.147
  304    HB3  PRO  46           1HB      PRO  46   2.335   7.280  -0.417
  305    HG2  PRO  46           2HG      PRO  46   4.701   6.440  -1.336
  306    HG3  PRO  46           1HG      PRO  46   3.922   5.658   0.053
  307    HD2  PRO  46           2HD      PRO  46   4.089   4.748  -2.792
  308    HD3  PRO  46           1HD      PRO  46   4.207   3.800  -1.294
  309    H    LYS  47           H        LYS  47  -1.014   5.739  -1.462
  310    HA   LYS  47           HA       LYS  47  -1.395   6.263  -4.260
  311    HB2  LYS  47           2HB      LYS  47  -2.925   4.853  -2.866
  312    HB3  LYS  47           1HB      LYS  47  -3.386   6.296  -1.979
  313    HG2  LYS  47           2HG      LYS  47  -3.671   6.434  -4.905
  314    HG3  LYS  47           1HG      LYS  47  -4.737   5.319  -4.056
  315    HD2  LYS  47           2HD      LYS  47  -5.847   6.981  -2.967
  316    HD3  LYS  47           1HD      LYS  47  -4.447   8.045  -2.935
  317    HE2  LYS  47           2HE      LYS  47  -4.778   8.205  -5.486
  318    HE3  LYS  47           1HE      LYS  47  -6.370   7.517  -5.178
  319    HZ1  LYS  47           3HZ      LYS  47  -6.681   9.408  -3.560
  320    HZ2  LYS  47           1HZ      LYS  47  -6.654   9.833  -5.204
  321    HZ3  LYS  47           2HZ      LYS  47  -5.290  10.105  -4.232
  322    HA   PRO  48           HA       PRO  48  -0.397  10.473  -3.656
  323    HB2  PRO  48           2HB      PRO  48  -1.277  11.378  -6.100
  324    HB3  PRO  48           1HB      PRO  48   0.284  10.624  -5.788
  325    HG2  PRO  48           2HG      PRO  48  -2.197   9.458  -6.949
  326    HG3  PRO  48           1HG      PRO  48  -0.504   9.121  -7.354
  327    HD2  PRO  48           2HD      PRO  48  -2.023   7.454  -5.852
  328    HD3  PRO  48           1HD      PRO  48  -0.269   7.608  -5.639
  329    H    GLN  49           H        GLN  49  -1.125  12.403  -3.320
  330    HA   GLN  49           HA       GLN  49  -4.027  12.883  -3.371
  331    HB2  GLN  49           2HB      GLN  49  -3.408  14.707  -1.669
  332    HB3  GLN  49           1HB      GLN  49  -3.399  13.035  -1.129
  333    HG2  GLN  49           2HG      GLN  49  -1.059  12.911  -1.215
  334    HG3  GLN  49           1HG      GLN  49  -0.928  14.445  -2.063
  335   HE21  GLN  49          1HE2      GLN  49  -1.182  16.371  -0.902
  336   HE22  GLN  49          2HE2      GLN  49  -1.125  16.414   0.826
  337    H    SER  50           H        SER  50  -0.901  13.792  -4.386
  338    HA   SER  50           HA       SER  50  -1.752  16.314  -5.551
  339    HB2  SER  50           2HB      SER  50   0.878  14.897  -6.003
  340    HB3  SER  50           1HB      SER  50   0.530  16.622  -6.152
  341    HG   SER  50           HG       SER  50   0.678  15.053  -3.795
  342    H    HIS  51           H        HIS  51  -0.213  13.371  -6.923
  343    HA   HIS  51           HA       HIS  51  -1.036  14.110  -9.580
  344    HB2  HIS  51           2HB      HIS  51   0.502  11.853  -8.385
  345    HB3  HIS  51           1HB      HIS  51  -0.203  11.612  -9.973
  346    HD1  HIS  51           HD1      HIS  51   0.610  13.232 -11.876
  347    HD2  HIS  51           HD2      HIS  51   2.852  13.295  -8.380
  348    HE1  HIS  51           HE1      HIS  51   2.817  14.258 -12.507
  349    HE2  HIS  51           HE2      HIS  51   4.242  14.027 -10.444
  Start of MODEL   17
    1    H1   VAL   1           1H       VAL   1  -5.649  15.142   6.193
    2    H2   VAL   1           2H       VAL   1  -4.535  15.359   7.443
    3    H3   VAL   1           3H       VAL   1  -6.114  14.851   7.797
    4    HA   VAL   1           HA       VAL   1  -4.130  13.320   6.224
    5    HB   VAL   1           HB       VAL   1  -4.055  11.777   8.154
    6   HG11  VAL   1          1HG1      VAL   1  -3.260  14.613   8.803
    7   HG12  VAL   1          2HG1      VAL   1  -2.314  13.457   7.865
    8   HG13  VAL   1          3HG1      VAL   1  -2.625  13.160   9.575
    9   HG21  VAL   1          3HG2      VAL   1  -6.175  12.300   9.207
   10   HG22  VAL   1          1HG2      VAL   1  -5.621  13.936   9.564
   11   HG23  VAL   1          2HG2      VAL   1  -4.859  12.556  10.351
   12    H    VAL   2           H        VAL   2  -6.844  13.984   5.474
   13    HA   VAL   2           HA       VAL   2  -8.347  11.522   5.897
   14    HB   VAL   2           HB       VAL   2  -9.048  13.977   4.263
   15   HG11  VAL   2          1HG1      VAL   2 -10.205  12.007   3.438
   16   HG12  VAL   2          2HG1      VAL   2 -11.337  13.063   4.283
   17   HG13  VAL   2          3HG1      VAL   2 -10.731  11.605   5.070
   18   HG21  VAL   2          3HG2      VAL   2 -10.571  14.516   6.102
   19   HG22  VAL   2          1HG2      VAL   2  -8.893  14.462   6.648
   20   HG23  VAL   2          2HG2      VAL   2  -9.979  13.117   7.000
   21    H    TYR   3           H        TYR   3  -7.963   9.831   4.634
   22    HA   TYR   3           HA       TYR   3  -6.569  10.224   2.119
   23    HB2  TYR   3           2HB      TYR   3  -7.118   7.827   3.840
   24    HB3  TYR   3           1HB      TYR   3  -6.595   7.628   2.168
   25    HD1  TYR   3           HD2      TYR   3  -4.510   9.272   1.580
   26    HD2  TYR   3           HD1      TYR   3  -5.451   7.722   5.426
   27    HE1  TYR   3           HE2      TYR   3  -2.170   9.576   2.266
   28    HE2  TYR   3           HE1      TYR   3  -3.113   8.014   6.123
   29    HH   TYR   3           HH       TYR   3  -0.967   9.937   4.526
   30    H    THR   4           H        THR   4  -7.216   8.499   0.420
   31    HA   THR   4           HA       THR   4 -10.075   8.817  -0.118
   32    HB   THR   4           HB       THR   4  -9.157   8.828  -2.592
   33    HG1  THR   4           HG1      THR   4  -6.961  10.009  -1.198
   34   HG21  THR   4          3HG2      THR   4  -8.930  11.236  -0.783
   35   HG22  THR   4          1HG2      THR   4 -10.397  10.675  -1.583
   36   HG23  THR   4          2HG2      THR   4  -9.046  11.283  -2.542
   37    H    ASP   5           H        ASP   5 -10.407   7.262  -2.286
   38    HA   ASP   5           HA       ASP   5  -9.818   4.631  -1.186
   39    HB2  ASP   5           2HB      ASP   5 -11.620   5.636  -3.395
   40    HB3  ASP   5           1HB      ASP   5 -11.253   3.923  -3.253
   41    H    CYS   6           H        CYS   6  -8.865   2.945  -2.456
   42    HA   CYS   6           HA       CYS   6  -6.496   3.752  -3.732
   43    HB2  CYS   6           2HB      CYS   6  -7.727   1.035  -4.078
   44    HB3  CYS   6           1HB      CYS   6  -6.024   1.470  -4.015
   45    HG   CYS   6           HG       CYS   6  -5.731   1.423  -1.415
   46    H    THR   7           H        THR   7  -5.970   4.080  -5.788
   47    HA   THR   7           HA       THR   7  -8.107   3.897  -7.793
   48    HB   THR   7           HB       THR   7  -5.535   5.462  -7.972
   49    HG1  THR   7           HG1      THR   7  -8.096   6.411  -7.115
   50   HG21  THR   7          3HG2      THR   7  -6.770   6.792  -9.629
   51   HG22  THR   7          1HG2      THR   7  -8.177   5.750  -9.419
   52   HG23  THR   7          2HG2      THR   7  -6.688   5.096 -10.104
   53    H    GLU   8           H        GLU   8  -5.030   2.667  -6.902
   54    HA   GLU   8           HA       GLU   8  -4.776   1.233  -9.453
   55    HB2  GLU   8           2HB      GLU   8  -2.879   3.052  -8.144
   56    HB3  GLU   8           1HB      GLU   8  -2.176   1.530  -8.640
   57    HG2  GLU   8           2HG      GLU   8  -3.743   3.337 -10.468
   58    HG3  GLU   8           1HG      GLU   8  -1.990   3.393 -10.296
   59    H    SER   9           H        SER   9  -3.644  -0.783  -9.299
   60    HA   SER   9           HA       SER   9  -4.207  -2.086  -6.763
   61    HB2  SER   9           2HB      SER   9  -3.309  -3.224  -9.430
   62    HB3  SER   9           1HB      SER   9  -3.783  -4.175  -8.019
   63    HG   SER   9           HG       SER   9  -5.344  -2.728  -9.808
   64    H    GLY  10           H        GLY  10  -2.653  -2.157  -5.267
   65    HA2  GLY  10           2HA      GLY  10  -0.342  -3.047  -4.850
   66    HA3  GLY  10           1HA      GLY  10   0.160  -2.029  -6.194
   67    H    GLN  11           H        GLN  11  -2.185  -0.349  -4.706
   68    HA   GLN  11           HA       GLN  11  -0.299   1.274  -3.186
   69    HB2  GLN  11           2HB      GLN  11  -2.949   1.666  -4.401
   70    HB3  GLN  11           1HB      GLN  11  -2.784   2.423  -2.813
   71    HG2  GLN  11           2HG      GLN  11  -1.777   4.092  -3.805
   72    HG3  GLN  11           1HG      GLN  11  -0.429   3.030  -4.160
   73   HE21  GLN  11          1HE2      GLN  11  -3.207   4.658  -5.371
   74   HE22  GLN  11          2HE2      GLN  11  -2.902   4.375  -7.046
   75    H    ASN  12           H        ASN  12  -1.211   2.108  -0.985
   76    HA   ASN  12           HA       ASN  12  -2.741   0.035   0.369
   77    HB2  ASN  12           2HB      ASN  12  -1.088   0.186   2.323
   78    HB3  ASN  12           1HB      ASN  12  -0.708  -0.848   0.960
   79   HD21  ASN  12          1HD2      ASN  12   1.442  -0.808   1.577
   80   HD22  ASN  12          2HD2      ASN  12   2.460   0.547   1.229
   81    H    LEU  13           H        LEU  13  -0.992   3.035   1.066
   82    HA   LEU  13           HA       LEU  13  -2.563   3.849   3.247
   83    HB2  LEU  13           2HB      LEU  13  -0.888   5.478   1.340
   84    HB3  LEU  13           1HB      LEU  13  -1.560   6.091   2.839
   85    HG   LEU  13           HG       LEU  13   0.364   3.771   2.702
   86   HD11  LEU  13          1HD1      LEU  13   0.923   6.676   3.285
   87   HD12  LEU  13          2HD1      LEU  13   1.447   5.786   1.858
   88   HD13  LEU  13          3HD1      LEU  13   2.074   5.351   3.447
   89   HD21  LEU  13          3HD2      LEU  13  -0.533   5.510   4.995
   90   HD22  LEU  13          1HD2      LEU  13   0.614   4.174   5.082
   91   HD23  LEU  13          2HD2      LEU  13  -1.074   3.862   4.688
   92    H    CYS  14           H        CYS  14  -4.564   3.173   1.956
   93    HA   CYS  14           HA       CYS  14  -6.034   5.583   1.307
   94    HB2  CYS  14           2HB      CYS  14  -6.932   4.167  -0.783
   95    HB3  CYS  14           1HB      CYS  14  -5.566   5.269  -0.918
   96    HG   CYS  14           HG       CYS  14  -4.452   2.334   0.018
   97    H    LEU  15           H        LEU  15  -8.424   4.947   0.898
   98    HA   LEU  15           HA       LEU  15  -9.202   3.060   2.964
   99    HB2  LEU  15           2HB      LEU  15 -11.228   4.271   1.151
  100    HB3  LEU  15           1HB      LEU  15 -11.305   3.992   2.875
  101    HG   LEU  15           HG       LEU  15  -9.746   6.220   1.562
  102   HD11  LEU  15          1HD1      LEU  15 -11.489   7.679   2.477
  103   HD12  LEU  15          2HD1      LEU  15 -12.382   6.262   3.028
  104   HD13  LEU  15          3HD1      LEU  15 -12.144   6.538   1.303
  105   HD21  LEU  15          3HD2      LEU  15  -9.549   7.092   3.836
  106   HD22  LEU  15          1HD2      LEU  15  -8.786   5.509   3.680
  107   HD23  LEU  15          2HD2      LEU  15 -10.365   5.655   4.457
  108    H    CYS  16           H        CYS  16  -8.587   1.108   2.108
  109    HA   CYS  16           HA       CYS  16  -9.308   0.313  -0.546
  110    HB2  CYS  16           2HB      CYS  16  -7.203  -0.392   0.512
  111    HB3  CYS  16           1HB      CYS  16  -8.116  -1.280   1.718
  112    HG   CYS  16           HG       CYS  16  -7.890  -3.459   0.410
  113    H    GLU  17           H        GLU  17  -9.969  -1.067   2.647
  114    HA   GLU  17           HA       GLU  17 -12.359  -2.372   1.573
  115    HB2  GLU  17           2HB      GLU  17 -10.486  -3.257   3.297
  116    HB3  GLU  17           1HB      GLU  17 -11.697  -2.629   4.397
  117    HG2  GLU  17           2HG      GLU  17 -12.299  -4.622   2.232
  118    HG3  GLU  17           1HG      GLU  17 -11.888  -5.072   3.884
  119    H    GLY  18           H        GLY  18 -14.129  -1.351   1.714
  120    HA2  GLY  18           2HA      GLY  18 -15.682   0.295   2.197
  121    HA3  GLY  18           1HA      GLY  18 -15.457  -0.292   3.836
  122    H    SER  19           H        SER  19 -14.357   0.918   5.288
  123    HA   SER  19           HA       SER  19 -13.440   3.565   4.375
  124    HB2  SER  19           2HB      SER  19 -13.872   4.111   6.864
  125    HB3  SER  19           1HB      SER  19 -15.265   3.964   5.792
  126    HG   SER  19           HG       SER  19 -15.856   2.179   6.799
  127    H    ASN  20           H        ASN  20 -12.201   0.692   5.234
  128    HA   ASN  20           HA       ASN  20 -10.446   1.384   7.376
  129    HB2  ASN  20           2HB      ASN  20 -10.506  -0.948   5.464
  130    HB3  ASN  20           1HB      ASN  20  -9.268  -0.772   6.702
  131   HD21  ASN  20          1HD2      ASN  20 -12.596   0.218   7.164
  132   HD22  ASN  20          2HD2      ASN  20 -13.000  -1.020   8.303
  133    H    VAL  21           H        VAL  21  -8.663   2.479   7.302
  134    HA   VAL  21           HA       VAL  21  -7.507   3.249   4.743
  135    HB   VAL  21           HB       VAL  21  -6.570   4.012   7.523
  136   HG11  VAL  21          1HG1      VAL  21  -4.983   4.410   5.701
  137   HG12  VAL  21          2HG1      VAL  21  -5.558   5.915   6.415
  138   HG13  VAL  21          3HG1      VAL  21  -6.197   5.375   4.862
  139   HG21  VAL  21          3HG2      VAL  21  -8.530   5.511   5.795
  140   HG22  VAL  21          1HG2      VAL  21  -7.903   6.028   7.356
  141   HG23  VAL  21          2HG2      VAL  21  -8.944   4.608   7.249
  142    H    CYS  22           H        CYS  22  -6.367   1.478   3.974
  143    HA   CYS  22           HA       CYS  22  -4.706  -0.067   5.709
  144    HB2  CYS  22           2HB      CYS  22  -5.556  -0.230   2.928
  145    HB3  CYS  22           1HB      CYS  22  -3.850  -0.618   3.128
  146    HG   CYS  22           HG       CYS  22  -5.380  -2.979   3.146
  147    H    GLY  23           H        GLY  23  -2.338  -0.404   5.135
  148    HA2  GLY  23           2HA      GLY  23  -0.968   1.862   4.032
  149    HA3  GLY  23           1HA      GLY  23  -0.870   1.786   5.783
  150    H    GLN  24           H        GLN  24   0.913   0.871   6.492
  151    HA   GLN  24           HA       GLN  24   2.578  -0.473   4.536
  152    HB2  GLN  24           2HB      GLN  24   3.143   0.525   7.336
  153    HB3  GLN  24           1HB      GLN  24   4.342  -0.238   6.302
  154    HG2  GLN  24           2HG      GLN  24   4.255   1.543   4.739
  155    HG3  GLN  24           1HG      GLN  24   2.838   2.243   5.517
  156   HE21  GLN  24          1HE2      GLN  24   3.806   1.868   8.203
  157   HE22  GLN  24          2HE2      GLN  24   5.083   3.014   8.443
  158    H    GLY  25           H        GLY  25   2.888  -2.563   4.448
  159    HA2  GLY  25           2HA      GLY  25   3.207  -4.729   5.442
  160    HA3  GLY  25           1HA      GLY  25   2.130  -4.244   6.751
  161    H    ASN  26           H        ASN  26   0.748  -2.986   4.138
  162    HA   ASN  26           HA       ASN  26  -0.599  -5.459   3.308
  163    HB2  ASN  26           2HB      ASN  26  -1.858  -2.870   4.178
  164    HB3  ASN  26           1HB      ASN  26  -2.695  -3.964   3.084
  165   HD21  ASN  26          1HD2      ASN  26  -1.560  -3.460   6.322
  166   HD22  ASN  26          2HD2      ASN  26  -2.413  -4.780   7.039
  167    H    LYS  27           H        LYS  27  -1.482  -5.442   1.230
  168    HA   LYS  27           HA       LYS  27  -0.658  -3.241  -0.528
  169    HB2  LYS  27           2HB      LYS  27   0.903  -5.066  -0.897
  170    HB3  LYS  27           1HB      LYS  27  -0.420  -6.215  -1.053
  171    HG2  LYS  27           2HG      LYS  27  -0.555  -5.827  -3.224
  172    HG3  LYS  27           1HG      LYS  27  -0.779  -4.101  -2.940
  173    HD2  LYS  27           2HD      LYS  27   1.151  -4.409  -4.340
  174    HD3  LYS  27           1HD      LYS  27   1.688  -3.866  -2.747
  175    HE2  LYS  27           2HE      LYS  27   3.115  -5.645  -3.608
  176    HE3  LYS  27           1HE      LYS  27   2.268  -6.152  -2.149
  177    HZ1  LYS  27           3HZ      LYS  27   0.862  -7.536  -3.365
  178    HZ2  LYS  27           1HZ      LYS  27   2.377  -7.783  -4.076
  179    HZ3  LYS  27           2HZ      LYS  27   1.225  -6.801  -4.846
  180    H    CYS  28           H        CYS  28  -2.485  -2.342  -1.233
  181    HA   CYS  28           HA       CYS  28  -4.915  -3.926  -1.323
  182    HB2  CYS  28           2HB      CYS  28  -4.485  -0.965  -1.743
  183    HB3  CYS  28           1HB      CYS  28  -6.039  -1.776  -1.583
  184    HG   CYS  28           HG       CYS  28  -3.832  -2.160   0.941
  185    H    ILE  29           H        ILE  29  -5.707  -4.728  -3.113
  186    HA   ILE  29           HA       ILE  29  -4.910  -3.572  -5.685
  187    HB   ILE  29           HB       ILE  29  -5.012  -5.936  -6.593
  188   HG12  ILE  29          2HG1      ILE  29  -4.737  -6.629  -3.660
  189   HG13  ILE  29          1HG1      ILE  29  -6.178  -6.913  -4.630
  190   HG21  ILE  29          1HG2      ILE  29  -2.713  -6.470  -5.860
  191   HG22  ILE  29          2HG2      ILE  29  -2.846  -5.227  -4.617
  192   HG23  ILE  29          3HG2      ILE  29  -2.909  -4.780  -6.321
  193   HD11  ILE  29          3HD1      ILE  29  -4.878  -8.945  -4.351
  194   HD12  ILE  29          1HD1      ILE  29  -3.477  -8.160  -5.079
  195   HD13  ILE  29          2HD1      ILE  29  -4.923  -8.452  -6.044
  196    H    LEU  30           H        LEU  30  -6.487  -3.373  -7.138
  197    HA   LEU  30           HA       LEU  30  -9.154  -3.327  -6.373
  198    HB2  LEU  30           2HB      LEU  30  -7.810  -3.251  -9.060
  199    HB3  LEU  30           1HB      LEU  30  -9.558  -3.239  -8.921
  200    HG   LEU  30           HG       LEU  30  -9.282  -1.190  -7.433
  201   HD11  LEU  30          1HD1      LEU  30  -7.257   0.115  -7.725
  202   HD12  LEU  30          2HD1      LEU  30  -6.528  -1.209  -8.635
  203   HD13  LEU  30          3HD1      LEU  30  -6.922  -1.421  -6.929
  204   HD21  LEU  30          3HD2      LEU  30  -8.458  -1.014 -10.326
  205   HD22  LEU  30          1HD2      LEU  30  -9.073   0.321  -9.350
  206   HD23  LEU  30          2HD2      LEU  30 -10.112  -1.059  -9.712
  207    H    GLY  31           H        GLY  31 -10.562  -4.815  -6.117
  208    HA2  GLY  31           2HA      GLY  31  -9.990  -7.543  -6.390
  209    HA3  GLY  31           1HA      GLY  31 -11.540  -6.859  -5.972
  210    H    ARG  32           H        ARG  32 -12.198  -5.460  -8.179
  211    HA   ARG  32           HA       ARG  32 -12.916  -5.502 -10.330
  212    HB2  ARG  32           2HB      ARG  32 -11.246  -7.978 -10.774
  213    HB3  ARG  32           1HB      ARG  32 -11.863  -6.873 -11.987
  214    HG2  ARG  32           2HG      ARG  32  -9.802  -6.176  -9.907
  215    HG3  ARG  32           1HG      ARG  32  -9.455  -6.599 -11.582
  216    HD2  ARG  32           2HD      ARG  32 -11.342  -4.364 -10.999
  217    HD3  ARG  32           1HD      ARG  32  -9.608  -4.094 -10.834
  218    HE   ARG  32           HE       ARG  32 -10.639  -5.209 -13.345
  219   HH11  ARG  32          1HH1      ARG  32  -9.266  -2.508 -11.586
  220   HH12  ARG  32          2HH1      ARG  32  -8.701  -1.691 -13.010
  221   HH21  ARG  32          1HH2      ARG  32  -9.902  -4.136 -15.230
  222   HH22  ARG  32          2HH2      ARG  32  -9.098  -2.599 -15.087
  223    H    GLY  33           H        GLY  33 -14.512  -6.567 -11.619
  224    HA2  GLY  33           2HA      GLY  33 -16.280  -7.980 -12.011
  225    HA3  GLY  33           1HA      GLY  33 -15.426  -9.194 -11.068
  226    H    ASP  34           H        ASP  34 -16.120  -9.679  -9.094
  227    HA   ASP  34           HA       ASP  34 -18.532  -8.332  -8.137
  228    HB2  ASP  34           2HB      ASP  34 -17.208 -10.895  -7.204
  229    HB3  ASP  34           1HB      ASP  34 -18.747 -10.269  -6.618
  230    H    SER  35           H        SER  35 -15.618  -7.479  -7.955
  231    HA   SER  35           HA       SER  35 -15.655  -6.677  -5.145
  232    HB2  SER  35           2HB      SER  35 -14.262  -8.799  -5.503
  233    HB3  SER  35           1HB      SER  35 -13.182  -7.810  -6.467
  234    HG   SER  35           HG       SER  35 -13.504  -7.934  -3.733
  235    H    LYS  36           H        LYS  36 -13.840  -4.955  -4.831
  236    HA   LYS  36           HA       LYS  36 -13.147  -3.690  -7.362
  237    HB2  LYS  36           2HB      LYS  36 -13.720  -1.450  -6.401
  238    HB3  LYS  36           1HB      LYS  36 -15.074  -2.472  -6.839
  239    HG2  LYS  36           2HG      LYS  36 -15.732  -1.533  -4.826
  240    HG3  LYS  36           1HG      LYS  36 -15.125  -3.119  -4.350
  241    HD2  LYS  36           2HD      LYS  36 -13.071  -2.179  -3.583
  242    HD3  LYS  36           1HD      LYS  36 -13.466  -0.610  -4.277
  243    HE2  LYS  36           2HE      LYS  36 -15.382  -0.450  -2.714
  244    HE3  LYS  36           1HE      LYS  36 -14.876  -1.973  -1.985
  245    HZ1  LYS  36           3HZ      LYS  36 -14.132   0.125  -0.835
  246    HZ2  LYS  36           1HZ      LYS  36 -13.095   0.391  -2.146
  247    HZ3  LYS  36           2HZ      LYS  36 -12.906  -0.991  -1.181
  248    H    ASN  37           H        ASN  37 -12.518  -4.008  -3.925
  249    HA   ASN  37           HA       ASN  37  -9.717  -3.673  -4.456
  250    HB2  ASN  37           2HB      ASN  37 -11.210  -1.476  -3.417
  251    HB3  ASN  37           1HB      ASN  37 -10.164  -2.087  -2.134
  252   HD21  ASN  37          1HD2      ASN  37  -7.929  -2.133  -2.465
  253   HD22  ASN  37          2HD2      ASN  37  -7.183  -1.138  -3.660
  254    H    GLN  38           H        GLN  38  -8.470  -4.854  -3.054
  255    HA   GLN  38           HA       GLN  38  -9.687  -5.711  -0.538
  256    HB2  GLN  38           2HB      GLN  38 -10.131  -7.513  -2.161
  257    HB3  GLN  38           1HB      GLN  38  -8.411  -7.624  -2.502
  258    HG2  GLN  38           2HG      GLN  38  -9.236  -9.387  -0.990
  259    HG3  GLN  38           1HG      GLN  38  -7.956  -8.403  -0.284
  260   HE21  GLN  38          1HE2      GLN  38 -11.354  -9.162  -0.227
  261   HE22  GLN  38          2HE2      GLN  38 -11.683  -8.438   1.317
  262    H    CYS  39           H        CYS  39  -8.283  -5.982   1.127
  263    HA   CYS  39           HA       CYS  39  -5.595  -4.957   0.730
  264    HB2  CYS  39           2HB      CYS  39  -7.145  -5.607   3.229
  265    HB3  CYS  39           1HB      CYS  39  -5.539  -4.907   3.205
  266    HG   CYS  39           HG       CYS  39  -7.073  -2.781   3.823
  267    H    VAL  40           H        VAL  40  -4.467  -6.686  -0.180
  268    HA   VAL  40           HA       VAL  40  -4.303  -9.158   1.347
  269    HB   VAL  40           HB       VAL  40  -4.286  -8.960  -1.227
  270   HG11  VAL  40          1HG1      VAL  40  -2.097  -8.733  -2.271
  271   HG12  VAL  40          2HG1      VAL  40  -1.379  -8.359  -0.703
  272   HG13  VAL  40          3HG1      VAL  40  -2.559  -7.259  -1.419
  273   HG21  VAL  40          3HG2      VAL  40  -2.822 -10.932  -1.444
  274   HG22  VAL  40          1HG2      VAL  40  -3.922 -11.057  -0.070
  275   HG23  VAL  40          2HG2      VAL  40  -2.226 -10.648   0.193
  276    H    THR  41           H        THR  41  -2.113  -9.940   2.018
  277    HA   THR  41           HA       THR  41  -0.821  -7.736   3.391
  278    HB   THR  41           HB       THR  41   0.500  -9.737   4.433
  279    HG1  THR  41           HG1      THR  41  -1.872 -11.084   3.576
  280   HG21  THR  41          3HG2      THR  41  -1.091  -8.342   5.646
  281   HG22  THR  41          1HG2      THR  41  -1.283 -10.038   6.093
  282   HG23  THR  41          2HG2      THR  41  -2.434  -9.280   4.990
  283    H    GLY  42           H        GLY  42   1.080  -6.918   2.925
  284    HA2  GLY  42           2HA      GLY  42   3.340  -8.206   2.027
  285    HA3  GLY  42           1HA      GLY  42   2.485  -7.705   0.575
  286    H    GLU  43           H        GLU  43   3.577  -6.021  -0.198
  287    HA   GLU  43           HA       GLU  43   3.829  -3.694   1.557
  288    HB2  GLU  43           2HB      GLU  43   6.063  -3.205   0.447
  289    HB3  GLU  43           1HB      GLU  43   6.046  -4.512   1.621
  290    HG2  GLU  43           2HG      GLU  43   6.033  -6.155  -0.145
  291    HG3  GLU  43           1HG      GLU  43   5.906  -4.886  -1.363
  292    H    GLY  44           H        GLY  44   2.633  -2.177   0.686
  293    HA2  GLY  44           2HA      GLY  44   2.260  -2.164  -2.225
  294    HA3  GLY  44           1HA      GLY  44   1.192  -1.408  -1.051
  295    H    THR  45           H        THR  45   1.213   0.602  -1.970
  296    HA   THR  45           HA       THR  45   3.620   2.177  -1.540
  297    HB   THR  45           HB       THR  45   2.474   3.012  -4.029
  298    HG1  THR  45           HG1      THR  45   2.216   0.455  -3.833
  299   HG21  THR  45          3HG2      THR  45   5.170   1.817  -3.375
  300   HG22  THR  45          1HG2      THR  45   4.739   3.521  -3.234
  301   HG23  THR  45          2HG2      THR  45   4.773   2.749  -4.819
  302    HA   PRO  46           HA       PRO  46   0.680   5.283  -0.210
  303    HB2  PRO  46           2HB      PRO  46   2.523   7.183  -1.573
  304    HB3  PRO  46           1HB      PRO  46   1.910   7.205   0.085
  305    HG2  PRO  46           2HG      PRO  46   4.425   6.493  -0.425
  306    HG3  PRO  46           1HG      PRO  46   3.479   5.673   0.830
  307    HD2  PRO  46           2HD      PRO  46   4.182   4.749  -1.923
  308    HD3  PRO  46           1HD      PRO  46   4.066   3.819  -0.415
  309    H    LYS  47           H        LYS  47  -0.924   6.604  -1.166
  310    HA   LYS  47           HA       LYS  47  -1.419   5.817  -3.900
  311    HB2  LYS  47           2HB      LYS  47  -3.054   5.522  -2.013
  312    HB3  LYS  47           1HB      LYS  47  -3.205   7.275  -1.961
  313    HG2  LYS  47           2HG      LYS  47  -3.715   6.950  -4.512
  314    HG3  LYS  47           1HG      LYS  47  -4.161   5.340  -3.972
  315    HD2  LYS  47           2HD      LYS  47  -5.967   6.061  -2.823
  316    HD3  LYS  47           1HD      LYS  47  -5.195   7.580  -2.363
  317    HE2  LYS  47           2HE      LYS  47  -5.978   7.037  -5.187
  318    HE3  LYS  47           1HE      LYS  47  -7.167   7.640  -4.033
  319    HZ1  LYS  47           3HZ      LYS  47  -6.168   9.446  -5.268
  320    HZ2  LYS  47           1HZ      LYS  47  -4.613   8.971  -4.786
  321    HZ3  LYS  47           2HZ      LYS  47  -5.720   9.551  -3.641
  322    HA   PRO  48           HA       PRO  48  -0.104   9.897  -5.289
  323    HB2  PRO  48           2HB      PRO  48  -0.730   9.347  -7.920
  324    HB3  PRO  48           1HB      PRO  48   0.827   9.021  -7.159
  325    HG2  PRO  48           2HG      PRO  48  -1.438   7.171  -7.720
  326    HG3  PRO  48           1HG      PRO  48   0.306   6.864  -7.789
  327    HD2  PRO  48           2HD      PRO  48  -1.243   6.016  -5.745
  328    HD3  PRO  48           1HD      PRO  48   0.456   6.480  -5.528
  329    H    GLN  49           H        GLN  49  -1.131  11.589  -6.480
  330    HA   GLN  49           HA       GLN  49  -3.975  11.464  -6.944
  331    HB2  GLN  49           2HB      GLN  49  -4.190  13.532  -5.312
  332    HB3  GLN  49           1HB      GLN  49  -4.359  11.887  -4.718
  333    HG2  GLN  49           2HG      GLN  49  -1.976  11.932  -4.057
  334    HG3  GLN  49           1HG      GLN  49  -1.909  13.626  -4.538
  335   HE21  GLN  49          1HE2      GLN  49  -4.736  12.229  -3.064
  336   HE22  GLN  49          2HE2      GLN  49  -4.601  13.064  -1.552
  337    H    SER  50           H        SER  50  -1.190  13.600  -6.449
  338    HA   SER  50           HA       SER  50  -2.038  15.355  -8.576
  339    HB2  SER  50           2HB      SER  50   0.681  15.278  -7.278
  340    HB3  SER  50           1HB      SER  50  -0.162  16.663  -7.973
  341    HG   SER  50           HG       SER  50  -0.766  17.006  -5.987
  342    H    HIS  51           H        HIS  51   0.637  13.081  -7.984
  343    HA   HIS  51           HA       HIS  51   1.378  13.177 -10.815
  344    HB2  HIS  51           2HB      HIS  51   2.617  11.585  -8.577
  345    HB3  HIS  51           1HB      HIS  51   3.304  11.828 -10.175
  346    HD1  HIS  51           HD1      HIS  51   4.847  12.585  -7.599
  347    HD2  HIS  51           HD2      HIS  51   2.581  15.236  -9.872
  348    HE1  HIS  51           HE1      HIS  51   5.752  14.874  -7.081
  349    HE2  HIS  51           HE2      HIS  51   4.439  16.454  -8.542
  Start of MODEL   18
    1    H1   VAL   1           1H       VAL   1  -5.762  15.468   7.907
    2    H2   VAL   1           2H       VAL   1  -4.783  14.143   7.512
    3    H3   VAL   1           3H       VAL   1  -4.863  14.686   9.112
    4    HA   VAL   1           HA       VAL   1  -6.139  12.681   8.831
    5    HB   VAL   1           HB       VAL   1  -8.305  13.461   9.707
    6   HG11  VAL   1          1HG1      VAL   1  -5.966  15.003  10.818
    7   HG12  VAL   1          2HG1      VAL   1  -6.368  13.327  11.194
    8   HG13  VAL   1          3HG1      VAL   1  -7.464  14.626  11.669
    9   HG21  VAL   1          3HG2      VAL   1  -7.288  16.215   9.009
   10   HG22  VAL   1          1HG2      VAL   1  -8.741  15.863   9.948
   11   HG23  VAL   1          2HG2      VAL   1  -8.648  15.380   8.252
   12    H    VAL   2           H        VAL   2  -5.753  13.761   6.091
   13    HA   VAL   2           HA       VAL   2  -8.410  13.104   5.002
   14    HB   VAL   2           HB       VAL   2  -6.306  14.917   3.809
   15   HG11  VAL   2          1HG1      VAL   2  -7.402  13.585   2.066
   16   HG12  VAL   2          2HG1      VAL   2  -7.881  15.279   1.973
   17   HG13  VAL   2          3HG1      VAL   2  -8.981  14.091   2.671
   18   HG21  VAL   2          3HG2      VAL   2  -9.098  15.461   4.818
   19   HG22  VAL   2          1HG2      VAL   2  -8.047  16.636   4.025
   20   HG23  VAL   2          2HG2      VAL   2  -7.589  15.958   5.586
   21    H    TYR   3           H        TYR   3  -8.387  11.089   4.357
   22    HA   TYR   3           HA       TYR   3  -6.014  10.042   2.977
   23    HB2  TYR   3           2HB      TYR   3  -8.393   8.633   4.209
   24    HB3  TYR   3           1HB      TYR   3  -7.118   7.819   3.311
   25    HD1  TYR   3           HD1      TYR   3  -4.881   7.589   4.256
   26    HD2  TYR   3           HD2      TYR   3  -8.010   9.455   6.447
   27    HE1  TYR   3           HE1      TYR   3  -3.560   7.371   6.314
   28    HE2  TYR   3           HE2      TYR   3  -6.697   9.238   8.514
   29    HH   TYR   3           HH       TYR   3  -4.788   7.595   9.314
   30    H    THR   4           H        THR   4  -6.812   8.274   1.277
   31    HA   THR   4           HA       THR   4  -8.955   9.434  -0.344
   32    HB   THR   4           HB       THR   4  -7.453   8.996  -2.376
   33    HG1  THR   4           HG1      THR   4  -5.638   8.684  -0.250
   34   HG21  THR   4          3HG2      THR   4  -8.056  11.247  -1.642
   35   HG22  THR   4          1HG2      THR   4  -6.386  11.203  -2.207
   36   HG23  THR   4          2HG2      THR   4  -6.732  11.230  -0.478
   37    H    ASP   5           H        ASP   5  -9.519   7.946  -2.186
   38    HA   ASP   5           HA       ASP   5  -9.753   5.245  -1.114
   39    HB2  ASP   5           2HB      ASP   5 -10.876   6.361  -3.700
   40    HB3  ASP   5           1HB      ASP   5 -11.380   4.892  -2.875
   41    H    CYS   6           H        CYS   6  -8.822   3.427  -2.052
   42    HA   CYS   6           HA       CYS   6  -6.483   3.754  -3.563
   43    HB2  CYS   6           2HB      CYS   6  -8.127   1.233  -3.506
   44    HB3  CYS   6           1HB      CYS   6  -6.402   1.392  -3.807
   45    HG   CYS   6           HG       CYS   6  -8.077   1.485  -0.853
   46    H    THR   7           H        THR   7  -6.108   3.891  -5.650
   47    HA   THR   7           HA       THR   7  -8.411   3.698  -7.474
   48    HB   THR   7           HB       THR   7  -5.903   5.286  -7.954
   49    HG1  THR   7           HG1      THR   7  -8.236   5.953  -6.500
   50   HG21  THR   7          3HG2      THR   7  -8.700   5.560  -9.062
   51   HG22  THR   7          1HG2      THR   7  -7.351   4.797  -9.902
   52   HG23  THR   7          2HG2      THR   7  -7.297   6.519  -9.526
   53    H    GLU   8           H        GLU   8  -5.153   2.723  -6.811
   54    HA   GLU   8           HA       GLU   8  -5.119   1.184  -9.311
   55    HB2  GLU   8           2HB      GLU   8  -3.322   3.175  -8.527
   56    HB3  GLU   8           1HB      GLU   8  -2.491   1.670  -8.185
   57    HG2  GLU   8           2HG      GLU   8  -3.684   2.425 -10.844
   58    HG3  GLU   8           1HG      GLU   8  -1.976   2.527 -10.414
   59    H    SER   9           H        SER   9  -4.064  -0.833  -9.207
   60    HA   SER   9           HA       SER   9  -4.445  -2.124  -6.632
   61    HB2  SER   9           2HB      SER   9  -3.823  -3.248  -9.380
   62    HB3  SER   9           1HB      SER   9  -4.171  -4.214  -7.943
   63    HG   SER   9           HG       SER   9  -5.887  -3.010  -9.649
   64    H    GLY  10           H        GLY  10  -2.790  -2.324  -5.282
   65    HA2  GLY  10           2HA      GLY  10  -0.451  -3.201  -5.086
   66    HA3  GLY  10           1HA      GLY  10  -0.061  -2.104  -6.403
   67    H    GLN  11           H        GLN  11  -2.213  -0.370  -4.884
   68    HA   GLN  11           HA       GLN  11  -0.260   1.106  -3.301
   69    HB2  GLN  11           2HB      GLN  11  -2.925   1.631  -4.451
   70    HB3  GLN  11           1HB      GLN  11  -2.666   2.358  -2.864
   71    HG2  GLN  11           2HG      GLN  11  -1.656   4.027  -3.919
   72    HG3  GLN  11           1HG      GLN  11  -0.343   2.906  -4.275
   73   HE21  GLN  11          1HE2      GLN  11  -3.124   4.539  -5.497
   74   HE22  GLN  11          2HE2      GLN  11  -2.832   4.213  -7.165
   75    H    ASN  12           H        ASN  12  -1.039   1.898  -1.065
   76    HA   ASN  12           HA       ASN  12  -2.706  -0.103   0.251
   77    HB2  ASN  12           2HB      ASN  12  -1.020  -0.092   2.179
   78    HB3  ASN  12           1HB      ASN  12  -0.700  -1.087   0.771
   79   HD21  ASN  12          1HD2      ASN  12   1.471  -1.133   1.412
   80   HD22  ASN  12          2HD2      ASN  12   2.529   0.201   1.092
   81    H    LEU  13           H        LEU  13  -0.797   2.787   0.950
   82    HA   LEU  13           HA       LEU  13  -2.206   3.629   3.220
   83    HB2  LEU  13           2HB      LEU  13  -0.517   5.149   1.244
   84    HB3  LEU  13           1HB      LEU  13  -1.144   5.864   2.715
   85    HG   LEU  13           HG       LEU  13   0.621   3.422   2.738
   86   HD11  LEU  13          1HD1      LEU  13   2.479   4.926   3.253
   87   HD12  LEU  13          2HD1      LEU  13   1.430   6.318   2.985
   88   HD13  LEU  13          3HD1      LEU  13   1.828   5.242   1.645
   89   HD21  LEU  13          3HD2      LEU  13  -0.773   3.921   4.733
   90   HD22  LEU  13          1HD2      LEU  13   0.028   5.484   4.855
   91   HD23  LEU  13          2HD2      LEU  13   0.959   3.999   5.049
   92    H    CYS  14           H        CYS  14  -4.295   3.044   1.858
   93    HA   CYS  14           HA       CYS  14  -5.709   5.541   1.514
   94    HB2  CYS  14           2HB      CYS  14  -6.669   4.437  -0.715
   95    HB3  CYS  14           1HB      CYS  14  -5.264   5.492  -0.742
   96    HG   CYS  14           HG       CYS  14  -5.216   2.070  -0.818
   97    H    LEU  15           H        LEU  15  -8.102   5.153   1.440
   98    HA   LEU  15           HA       LEU  15  -8.811   2.890   3.041
   99    HB2  LEU  15           2HB      LEU  15 -11.233   3.720   2.153
  100    HB3  LEU  15           1HB      LEU  15 -10.423   4.348   3.566
  101    HG   LEU  15           HG       LEU  15  -9.924   5.691   0.947
  102   HD11  LEU  15          1HD1      LEU  15 -12.395   6.068   2.646
  103   HD12  LEU  15          2HD1      LEU  15 -12.354   5.408   1.011
  104   HD13  LEU  15          3HD1      LEU  15 -11.909   7.091   1.292
  105   HD21  LEU  15          3HD2      LEU  15  -9.810   7.656   2.408
  106   HD22  LEU  15          1HD2      LEU  15  -8.703   6.389   2.937
  107   HD23  LEU  15          2HD2      LEU  15 -10.225   6.644   3.792
  108    H    CYS  16           H        CYS  16  -8.800   0.982   2.297
  109    HA   CYS  16           HA       CYS  16  -9.150   0.433  -0.512
  110    HB2  CYS  16           2HB      CYS  16  -7.252  -0.510   0.704
  111    HB3  CYS  16           1HB      CYS  16  -8.350  -1.307   1.816
  112    HG   CYS  16           HG       CYS  16  -7.419  -3.334   0.311
  113    H    GLU  17           H        GLU  17 -10.186  -1.368   2.353
  114    HA   GLU  17           HA       GLU  17 -12.708  -2.045   1.103
  115    HB2  GLU  17           2HB      GLU  17 -11.422  -3.629   2.586
  116    HB3  GLU  17           1HB      GLU  17 -11.796  -2.576   3.940
  117    HG2  GLU  17           2HG      GLU  17 -13.261  -4.556   3.788
  118    HG3  GLU  17           1HG      GLU  17 -14.135  -3.026   3.734
  119    H    GLY  18           H        GLY  18 -14.751  -1.620   2.263
  120    HA2  GLY  18           2HA      GLY  18 -15.928   0.594   2.301
  121    HA3  GLY  18           1HA      GLY  18 -16.055  -0.288   3.804
  122    H    SER  19           H        SER  19 -14.543   0.316   5.541
  123    HA   SER  19           HA       SER  19 -13.641   3.103   5.266
  124    HB2  SER  19           2HB      SER  19 -14.069   3.208   7.783
  125    HB3  SER  19           1HB      SER  19 -15.493   3.153   6.745
  126    HG   SER  19           HG       SER  19 -16.044   1.363   7.688
  127    H    ASN  20           H        ASN  20 -12.335   0.313   5.057
  128    HA   ASN  20           HA       ASN  20 -10.384   0.413   7.212
  129    HB2  ASN  20           2HB      ASN  20 -10.685  -1.446   4.854
  130    HB3  ASN  20           1HB      ASN  20  -9.417  -1.590   6.059
  131   HD21  ASN  20          1HD2      ASN  20 -12.622  -0.594   6.964
  132   HD22  ASN  20          2HD2      ASN  20 -13.066  -2.058   7.769
  133    H    VAL  21           H        VAL  21  -8.967   2.046   6.972
  134    HA   VAL  21           HA       VAL  21  -7.807   2.607   4.363
  135    HB   VAL  21           HB       VAL  21  -7.145   3.928   7.005
  136   HG11  VAL  21          1HG1      VAL  21  -6.653   4.787   4.160
  137   HG12  VAL  21          2HG1      VAL  21  -5.440   4.173   5.282
  138   HG13  VAL  21          3HG1      VAL  21  -6.243   5.709   5.607
  139   HG21  VAL  21          3HG2      VAL  21  -9.513   4.233   6.493
  140   HG22  VAL  21          1HG2      VAL  21  -9.097   4.811   4.879
  141   HG23  VAL  21          2HG2      VAL  21  -8.628   5.744   6.298
  142    H    CYS  22           H        CYS  22  -6.319   1.203   3.755
  143    HA   CYS  22           HA       CYS  22  -4.746  -0.248   5.670
  144    HB2  CYS  22           2HB      CYS  22  -5.398  -0.501   2.847
  145    HB3  CYS  22           1HB      CYS  22  -3.689  -0.759   3.146
  146    HG   CYS  22           HG       CYS  22  -4.750  -2.480   5.478
  147    H    GLY  23           H        GLY  23  -2.337  -0.509   5.193
  148    HA2  GLY  23           2HA      GLY  23  -1.035   1.922   4.311
  149    HA3  GLY  23           1HA      GLY  23  -0.898   1.575   6.031
  150    H    GLN  24           H        GLN  24   1.111   0.844   6.379
  151    HA   GLN  24           HA       GLN  24   2.492  -0.510   4.221
  152    HB2  GLN  24           2HB      GLN  24   3.394   0.441   6.937
  153    HB3  GLN  24           1HB      GLN  24   4.451  -0.369   5.789
  154    HG2  GLN  24           2HG      GLN  24   4.165   1.415   4.197
  155    HG3  GLN  24           1HG      GLN  24   2.984   2.202   5.243
  156   HE21  GLN  24          1HE2      GLN  24   4.459   1.601   7.667
  157   HE22  GLN  24          2HE2      GLN  24   5.821   2.669   7.687
  158    H    GLY  25           H        GLY  25   3.339  -2.539   4.278
  159    HA2  GLY  25           2HA      GLY  25   3.556  -4.737   5.090
  160    HA3  GLY  25           1HA      GLY  25   2.483  -4.331   6.427
  161    H    ASN  26           H        ASN  26   0.891  -2.978   4.071
  162    HA   ASN  26           HA       ASN  26  -0.450  -5.451   3.209
  163    HB2  ASN  26           2HB      ASN  26  -1.687  -2.756   3.813
  164    HB3  ASN  26           1HB      ASN  26  -2.549  -4.130   3.129
  165   HD21  ASN  26          1HD2      ASN  26  -0.972  -2.865   5.972
  166   HD22  ASN  26          2HD2      ASN  26  -1.659  -3.985   7.090
  167    H    LYS  27           H        LYS  27  -1.541  -5.325   1.155
  168    HA   LYS  27           HA       LYS  27  -0.734  -3.160  -0.617
  169    HB2  LYS  27           2HB      LYS  27   0.989  -4.851  -0.935
  170    HB3  LYS  27           1HB      LYS  27  -0.232  -6.090  -1.182
  171    HG2  LYS  27           2HG      LYS  27  -0.646  -5.453  -3.319
  172    HG3  LYS  27           1HG      LYS  27  -0.309  -3.751  -2.993
  173    HD2  LYS  27           2HD      LYS  27   1.400  -4.723  -4.454
  174    HD3  LYS  27           1HD      LYS  27   2.083  -4.231  -2.903
  175    HE2  LYS  27           2HE      LYS  27   3.044  -6.313  -3.279
  176    HE3  LYS  27           1HE      LYS  27   1.706  -6.672  -2.193
  177    HZ1  LYS  27           3HZ      LYS  27   0.386  -7.293  -4.178
  178    HZ2  LYS  27           1HZ      LYS  27   1.747  -8.281  -3.937
  179    HZ3  LYS  27           2HZ      LYS  27   1.774  -7.077  -5.130
  180    H    CYS  28           H        CYS  28  -2.629  -2.410  -1.287
  181    HA   CYS  28           HA       CYS  28  -4.959  -4.136  -1.348
  182    HB2  CYS  28           2HB      CYS  28  -4.678  -1.158  -1.774
  183    HB3  CYS  28           1HB      CYS  28  -6.195  -2.036  -1.615
  184    HG   CYS  28           HG       CYS  28  -4.587  -0.587   0.709
  185    H    ILE  29           H        ILE  29  -6.014  -4.759  -3.144
  186    HA   ILE  29           HA       ILE  29  -5.190  -3.612  -5.710
  187    HB   ILE  29           HB       ILE  29  -5.414  -5.926  -6.706
  188   HG12  ILE  29          2HG1      ILE  29  -5.112  -6.756  -3.819
  189   HG13  ILE  29          1HG1      ILE  29  -6.595  -6.918  -4.754
  190   HG21  ILE  29          1HG2      ILE  29  -3.250  -4.799  -6.300
  191   HG22  ILE  29          2HG2      ILE  29  -3.141  -6.554  -6.161
  192   HG23  ILE  29          3HG2      ILE  29  -3.183  -5.556  -4.707
  193   HD11  ILE  29          3HD1      ILE  29  -5.454  -8.442  -6.285
  194   HD12  ILE  29          1HD1      ILE  29  -5.409  -9.028  -4.622
  195   HD13  ILE  29          2HD1      ILE  29  -3.978  -8.282  -5.334
  196    H    LEU  30           H        LEU  30  -6.753  -3.305  -7.130
  197    HA   LEU  30           HA       LEU  30  -9.494  -3.654  -6.238
  198    HB2  LEU  30           2HB      LEU  30  -8.305  -1.997  -8.468
  199    HB3  LEU  30           1HB      LEU  30 -10.021  -2.107  -8.138
  200    HG   LEU  30           HG       LEU  30  -9.445  -1.208  -5.801
  201   HD11  LEU  30          1HD1      LEU  30  -7.043  -1.525  -5.887
  202   HD12  LEU  30          2HD1      LEU  30  -7.439   0.182  -5.687
  203   HD13  LEU  30          3HD1      LEU  30  -6.931  -0.426  -7.263
  204   HD21  LEU  30          3HD2      LEU  30  -9.110   0.534  -8.236
  205   HD22  LEU  30          1HD2      LEU  30  -9.511   1.099  -6.614
  206   HD23  LEU  30          2HD2      LEU  30 -10.640   0.064  -7.491
  207    H    GLY  31           H        GLY  31 -10.170  -5.669  -6.773
  208    HA2  GLY  31           2HA      GLY  31  -9.665  -6.613  -9.506
  209    HA3  GLY  31           1HA      GLY  31 -10.228  -7.601  -8.162
  210    H    ARG  32           H        ARG  32 -12.292  -8.098  -8.135
  211    HA   ARG  32           HA       ARG  32 -14.325  -6.292  -9.071
  212    HB2  ARG  32           2HB      ARG  32 -15.316  -7.962 -10.668
  213    HB3  ARG  32           1HB      ARG  32 -13.822  -7.222 -11.222
  214    HG2  ARG  32           2HG      ARG  32 -13.727  -9.849  -9.809
  215    HG3  ARG  32           1HG      ARG  32 -14.216  -9.780 -11.503
  216    HD2  ARG  32           2HD      ARG  32 -12.139  -8.718 -12.108
  217    HD3  ARG  32           1HD      ARG  32 -11.665  -8.602 -10.415
  218    HE   ARG  32           HE       ARG  32 -12.132 -11.298 -11.046
  219   HH11  ARG  32          1HH1      ARG  32  -9.894  -8.732 -11.884
  220   HH12  ARG  32          2HH1      ARG  32  -8.520  -9.792 -12.031
  221   HH21  ARG  32          1HH2      ARG  32 -10.343 -12.713 -11.265
  222   HH22  ARG  32          2HH2      ARG  32  -8.777 -12.068 -11.674
  223    H    GLY  33           H        GLY  33 -16.521  -7.231  -8.693
  224    HA2  GLY  33           2HA      GLY  33 -17.970  -8.629  -7.515
  225    HA3  GLY  33           1HA      GLY  33 -16.601  -9.549  -6.953
  226    H    ASP  34           H        ASP  34 -17.119  -9.590  -4.823
  227    HA   ASP  34           HA       ASP  34 -17.337  -7.085  -3.345
  228    HB2  ASP  34           2HB      ASP  34 -17.505  -8.472  -1.359
  229    HB3  ASP  34           1HB      ASP  34 -18.546  -9.170  -2.594
  230    H    SER  35           H        SER  35 -15.108  -8.871  -4.831
  231    HA   SER  35           HA       SER  35 -12.841  -8.246  -3.124
  232    HB2  SER  35           2HB      SER  35 -13.312  -9.864  -5.612
  233    HB3  SER  35           1HB      SER  35 -11.687  -9.447  -5.117
  234    HG   SER  35           HG       SER  35 -13.394 -10.533  -3.191
  235    H    LYS  36           H        LYS  36 -14.419  -6.135  -4.334
  236    HA   LYS  36           HA       LYS  36 -13.281  -5.192  -6.725
  237    HB2  LYS  36           2HB      LYS  36 -14.401  -3.003  -6.075
  238    HB3  LYS  36           1HB      LYS  36 -15.436  -4.405  -6.255
  239    HG2  LYS  36           2HG      LYS  36 -16.238  -3.300  -4.366
  240    HG3  LYS  36           1HG      LYS  36 -15.297  -4.640  -3.721
  241    HD2  LYS  36           2HD      LYS  36 -13.439  -3.155  -3.265
  242    HD3  LYS  36           1HD      LYS  36 -14.302  -1.811  -4.011
  243    HE2  LYS  36           2HE      LYS  36 -14.397  -1.737  -1.556
  244    HE3  LYS  36           1HE      LYS  36 -15.995  -1.893  -2.281
  245    HZ1  LYS  36           3HZ      LYS  36 -15.461  -3.347  -0.286
  246    HZ2  LYS  36           1HZ      LYS  36 -14.479  -4.249  -1.330
  247    HZ3  LYS  36           2HZ      LYS  36 -16.144  -4.122  -1.636
  248    H    ASN  37           H        ASN  37 -12.383  -4.741  -3.403
  249    HA   ASN  37           HA       ASN  37  -9.844  -3.652  -4.196
  250    HB2  ASN  37           2HB      ASN  37 -11.695  -1.755  -3.753
  251    HB3  ASN  37           1HB      ASN  37 -11.221  -2.052  -2.085
  252   HD21  ASN  37          1HD2      ASN  37  -8.448  -2.739  -2.971
  253   HD22  ASN  37          2HD2      ASN  37  -7.710  -1.217  -3.304
  254    H    GLN  38           H        GLN  38  -8.815  -5.399  -3.195
  255    HA   GLN  38           HA       GLN  38  -9.666  -5.976  -0.430
  256    HB2  GLN  38           2HB      GLN  38  -9.872  -7.700  -2.383
  257    HB3  GLN  38           1HB      GLN  38  -8.160  -7.947  -2.103
  258    HG2  GLN  38           2HG      GLN  38 -10.170  -8.151   0.113
  259    HG3  GLN  38           1HG      GLN  38  -9.807  -9.512  -0.944
  260   HE21  GLN  38          1HE2      GLN  38  -7.039  -8.966  -1.251
  261   HE22  GLN  38          2HE2      GLN  38  -6.279  -9.297   0.270
  262    H    CYS  39           H        CYS  39  -8.224  -6.108   1.176
  263    HA   CYS  39           HA       CYS  39  -5.578  -5.013   0.714
  264    HB2  CYS  39           2HB      CYS  39  -7.066  -5.674   3.249
  265    HB3  CYS  39           1HB      CYS  39  -5.472  -4.950   3.200
  266    HG   CYS  39           HG       CYS  39  -6.698  -2.702   3.663
  267    H    VAL  40           H        VAL  40  -4.250  -6.628  -0.068
  268    HA   VAL  40           HA       VAL  40  -4.152  -9.144   1.414
  269    HB   VAL  40           HB       VAL  40  -4.099  -8.823  -1.198
  270   HG11  VAL  40          1HG1      VAL  40  -1.181  -8.589  -0.502
  271   HG12  VAL  40          2HG1      VAL  40  -2.174  -7.369  -1.301
  272   HG13  VAL  40          3HG1      VAL  40  -1.827  -8.895  -2.115
  273   HG21  VAL  40          3HG2      VAL  40  -2.893 -10.962  -1.405
  274   HG22  VAL  40          1HG2      VAL  40  -4.086 -10.968  -0.105
  275   HG23  VAL  40          2HG2      VAL  40  -2.370 -10.802   0.272
  276    H    THR  41           H        THR  41  -2.016  -9.958   2.115
  277    HA   THR  41           HA       THR  41  -0.598  -7.804   3.439
  278    HB   THR  41           HB       THR  41   0.614  -9.678   4.589
  279    HG1  THR  41           HG1      THR  41  -0.013 -11.155   2.708
  280   HG21  THR  41          3HG2      THR  41  -2.400  -9.755   4.722
  281   HG22  THR  41          1HG2      THR  41  -1.357  -8.630   5.594
  282   HG23  THR  41          2HG2      THR  41  -1.300 -10.355   5.963
  283    H    GLY  42           H        GLY  42   1.301  -7.023   2.855
  284    HA2  GLY  42           2HA      GLY  42   3.494  -8.420   1.888
  285    HA3  GLY  42           1HA      GLY  42   2.614  -7.865   0.469
  286    H    GLU  43           H        GLU  43   3.480  -6.065  -0.332
  287    HA   GLU  43           HA       GLU  43   3.729  -3.786   1.436
  288    HB2  GLU  43           2HB      GLU  43   5.951  -3.137   0.691
  289    HB3  GLU  43           1HB      GLU  43   6.017  -4.713   1.462
  290    HG2  GLU  43           2HG      GLU  43   6.338  -5.818  -0.574
  291    HG3  GLU  43           1HG      GLU  43   5.836  -4.411  -1.514
  292    H    GLY  44           H        GLY  44   2.884  -2.069   0.479
  293    HA2  GLY  44           2HA      GLY  44   2.333  -2.313  -2.399
  294    HA3  GLY  44           1HA      GLY  44   1.285  -1.496  -1.249
  295    H    THR  45           H        THR  45   1.255   0.423  -2.296
  296    HA   THR  45           HA       THR  45   3.732   1.985  -2.260
  297    HB   THR  45           HB       THR  45   2.425   3.021  -4.412
  298    HG1  THR  45           HG1      THR  45   1.901   0.240  -4.323
  299   HG21  THR  45          3HG2      THR  45   4.816   2.509  -4.301
  300   HG22  THR  45          1HG2      THR  45   4.111   1.898  -5.799
  301   HG23  THR  45          2HG2      THR  45   4.459   0.790  -4.470
  302    HA   PRO  46           HA       PRO  46   1.074   5.098  -0.415
  303    HB2  PRO  46           2HB      PRO  46   2.931   7.029  -1.672
  304    HB3  PRO  46           1HB      PRO  46   2.510   6.830   0.032
  305    HG2  PRO  46           2HG      PRO  46   4.908   6.085  -0.904
  306    HG3  PRO  46           1HG      PRO  46   4.077   5.164   0.364
  307    HD2  PRO  46           2HD      PRO  46   4.322   4.568  -2.560
  308    HD3  PRO  46           1HD      PRO  46   4.410   3.463  -1.173
  309    H    LYS  47           H        LYS  47  -0.601   6.400  -1.227
  310    HA   LYS  47           HA       LYS  47  -1.052   5.976  -4.061
  311    HB2  LYS  47           2HB      LYS  47  -2.722   5.607  -2.063
  312    HB3  LYS  47           1HB      LYS  47  -3.018   7.331  -2.261
  313    HG2  LYS  47           2HG      LYS  47  -3.330   6.713  -4.760
  314    HG3  LYS  47           1HG      LYS  47  -3.575   5.086  -4.135
  315    HD2  LYS  47           2HD      LYS  47  -5.703   5.664  -3.841
  316    HD3  LYS  47           1HD      LYS  47  -5.136   6.648  -2.489
  317    HE2  LYS  47           2HE      LYS  47  -5.315   7.622  -5.329
  318    HE3  LYS  47           1HE      LYS  47  -6.585   7.860  -4.131
  319    HZ1  LYS  47           3HZ      LYS  47  -3.803   8.895  -3.967
  320    HZ2  LYS  47           1HZ      LYS  47  -4.997   9.105  -2.778
  321    HZ3  LYS  47           2HZ      LYS  47  -5.188   9.803  -4.315
  322    HA   PRO  48           HA       PRO  48   0.280  10.233  -4.809
  323    HB2  PRO  48           2HB      PRO  48  -0.254   9.462  -7.599
  324    HB3  PRO  48           1HB      PRO  48   1.250  10.020  -6.860
  325    HG2  PRO  48           2HG      PRO  48   0.946   7.477  -7.641
  326    HG3  PRO  48           1HG      PRO  48   1.858   7.892  -6.176
  327    HD2  PRO  48           2HD      PRO  48  -0.962   6.896  -6.431
  328    HD3  PRO  48           1HD      PRO  48   0.310   6.390  -5.296
  329    H    GLN  49           H        GLN  49  -0.680  11.925  -6.425
  330    HA   GLN  49           HA       GLN  49  -3.563  11.895  -5.884
  331    HB2  GLN  49           2HB      GLN  49  -3.073  14.497  -6.274
  332    HB3  GLN  49           1HB      GLN  49  -2.926  13.718  -4.709
  333    HG2  GLN  49           2HG      GLN  49  -0.583  13.574  -4.885
  334    HG3  GLN  49           1HG      GLN  49  -0.608  14.013  -6.589
  335   HE21  GLN  49          1HE2      GLN  49  -2.571  16.114  -6.224
  336   HE22  GLN  49          2HE2      GLN  49  -1.748  17.422  -5.448
  337    H    SER  50           H        SER  50  -1.097  12.654  -8.270
  338    HA   SER  50           HA       SER  50  -3.238  13.055 -10.240
  339    HB2  SER  50           2HB      SER  50  -0.288  13.679 -10.503
  340    HB3  SER  50           1HB      SER  50  -1.556  14.109 -11.656
  341    HG   SER  50           HG       SER  50  -2.129  14.945  -9.130
  342    H    HIS  51           H        HIS  51  -0.033  11.495 -10.074
  343    HA   HIS  51           HA       HIS  51  -0.696   9.659 -12.190
  344    HB2  HIS  51           2HB      HIS  51   1.615   9.812 -10.268
  345    HB3  HIS  51           1HB      HIS  51   1.457   8.523 -11.453
  346    HD1  HIS  51           HD1      HIS  51   1.961  12.271 -11.255
  347    HD2  HIS  51           HD2      HIS  51   2.275   9.140 -13.988
  348    HE1  HIS  51           HE1      HIS  51   3.081  13.244 -13.289
  349    HE2  HIS  51           HE2      HIS  51   3.145  11.368 -14.974
  Start of MODEL   19
    1    H1   VAL   1           1H       VAL   1  -4.416  16.415   3.821
    2    H2   VAL   1           2H       VAL   1  -3.118  17.109   4.661
    3    H3   VAL   1           3H       VAL   1  -4.609  16.892   5.436
    4    HA   VAL   1           HA       VAL   1  -2.892  14.705   4.430
    5    HB   VAL   1           HB       VAL   1  -2.475  14.202   6.830
    6   HG11  VAL   1          1HG1      VAL   1  -0.834  16.018   7.188
    7   HG12  VAL   1          2HG1      VAL   1  -1.567  16.911   5.856
    8   HG13  VAL   1          3HG1      VAL   1  -0.782  15.362   5.553
    9   HG21  VAL   1          3HG2      VAL   1  -3.749  16.903   7.292
   10   HG22  VAL   1          1HG2      VAL   1  -2.874  15.964   8.504
   11   HG23  VAL   1          2HG2      VAL   1  -4.377  15.343   7.824
   12    H    VAL   2           H        VAL   2  -5.625  15.024   3.807
   13    HA   VAL   2           HA       VAL   2  -7.114  13.315   5.638
   14    HB   VAL   2           HB       VAL   2  -7.975  14.577   3.020
   15   HG11  VAL   2          1HG1      VAL   2  -9.320  12.631   3.636
   16   HG12  VAL   2          2HG1      VAL   2 -10.250  14.124   3.758
   17   HG13  VAL   2          3HG1      VAL   2  -9.634  13.348   5.217
   18   HG21  VAL   2          3HG2      VAL   2  -7.404  16.293   4.629
   19   HG22  VAL   2          1HG2      VAL   2  -8.402  15.511   5.854
   20   HG23  VAL   2          2HG2      VAL   2  -9.153  16.219   4.425
   21    H    TYR   3           H        TYR   3  -7.925  11.267   5.044
   22    HA   TYR   3           HA       TYR   3  -6.273   9.907   3.072
   23    HB2  TYR   3           2HB      TYR   3  -8.321   8.846   5.023
   24    HB3  TYR   3           1HB      TYR   3  -7.410   7.845   3.910
   25    HD1  TYR   3           HD2      TYR   3  -6.930  10.263   6.718
   26    HD2  TYR   3           HD1      TYR   3  -5.379   6.944   4.553
   27    HE1  TYR   3           HE2      TYR   3  -5.135  10.020   8.380
   28    HE2  TYR   3           HE1      TYR   3  -3.578   6.697   6.207
   29    HH   TYR   3           HH       TYR   3  -3.614   8.330   9.213
   30    H    THR   4           H        THR   4  -7.191   8.507   1.493
   31    HA   THR   4           HA       THR   4  -9.885   9.174   0.597
   32    HB   THR   4           HB       THR   4  -8.835   9.260  -1.786
   33    HG1  THR   4           HG1      THR   4  -6.641  10.540  -1.038
   34   HG21  THR   4          3HG2      THR   4  -9.961  11.153  -0.759
   35   HG22  THR   4          1HG2      THR   4  -8.504  11.698  -1.587
   36   HG23  THR   4          2HG2      THR   4  -8.513  11.538   0.169
   37    H    ASP   5           H        ASP   5 -10.060   7.753  -1.664
   38    HA   ASP   5           HA       ASP   5  -9.851   5.041  -0.619
   39    HB2  ASP   5           2HB      ASP   5 -11.058   6.033  -3.224
   40    HB3  ASP   5           1HB      ASP   5 -11.227   4.415  -2.557
   41    H    CYS   6           H        CYS   6  -8.671   3.392  -1.622
   42    HA   CYS   6           HA       CYS   6  -6.327   4.041  -3.012
   43    HB2  CYS   6           2HB      CYS   6  -7.743   1.387  -3.168
   44    HB3  CYS   6           1HB      CYS   6  -6.031   1.701  -3.411
   45    HG   CYS   6           HG       CYS   6  -6.535   0.338  -0.958
   46    H    THR   7           H        THR   7  -5.880   4.374  -5.055
   47    HA   THR   7           HA       THR   7  -8.106   4.413  -6.954
   48    HB   THR   7           HB       THR   7  -5.440   5.799  -7.221
   49    HG1  THR   7           HG1      THR   7  -7.844   6.751  -5.995
   50   HG21  THR   7          3HG2      THR   7  -6.696   7.324  -8.679
   51   HG22  THR   7          1HG2      THR   7  -8.155   6.365  -8.420
   52   HG23  THR   7          2HG2      THR   7  -6.776   5.664  -9.265
   53    H    GLU   8           H        GLU   8  -5.328   2.642  -6.238
   54    HA   GLU   8           HA       GLU   8  -5.334   1.375  -8.838
   55    HB2  GLU   8           2HB      GLU   8  -3.368   3.338  -8.057
   56    HB3  GLU   8           1HB      GLU   8  -2.603   1.786  -8.338
   57    HG2  GLU   8           2HG      GLU   8  -4.470   3.097 -10.300
   58    HG3  GLU   8           1HG      GLU   8  -2.723   3.335 -10.311
   59    H    SER   9           H        SER   9  -3.909  -0.507  -8.889
   60    HA   SER   9           HA       SER   9  -4.116  -1.942  -6.380
   61    HB2  SER   9           2HB      SER   9  -2.980  -2.955  -8.995
   62    HB3  SER   9           1HB      SER   9  -3.636  -3.907  -7.665
   63    HG   SER   9           HG       SER   9  -4.923  -2.619  -9.721
   64    H    GLY  10           H        GLY  10  -2.469  -2.149  -4.990
   65    HA2  GLY  10           2HA      GLY  10  -0.072  -2.690  -4.744
   66    HA3  GLY  10           1HA      GLY  10   0.243  -1.506  -5.999
   67    H    GLN  11           H        GLN  11  -2.122  -0.096  -4.418
   68    HA   GLN  11           HA       GLN  11  -0.301   1.485  -2.776
   69    HB2  GLN  11           2HB      GLN  11  -3.048   1.832  -3.856
   70    HB3  GLN  11           1HB      GLN  11  -2.661   2.674  -2.359
   71    HG2  GLN  11           2HG      GLN  11  -1.760   4.253  -3.572
   72    HG3  GLN  11           1HG      GLN  11  -0.489   3.132  -4.030
   73   HE21  GLN  11          1HE2      GLN  11  -3.375   4.748  -4.965
   74   HE22  GLN  11          2HE2      GLN  11  -3.319   4.330  -6.635
   75    H    ASN  12           H        ASN  12  -1.157   2.190  -0.567
   76    HA   ASN  12           HA       ASN  12  -2.766   0.140   0.717
   77    HB2  ASN  12           2HB      ASN  12  -1.099   0.139   2.662
   78    HB3  ASN  12           1HB      ASN  12  -0.758  -0.840   1.250
   79   HD21  ASN  12          1HD2      ASN  12   1.400  -0.871   2.002
   80   HD22  ASN  12          2HD2      ASN  12   2.462   0.460   1.704
   81    H    LEU  13           H        LEU  13  -0.873   3.036   1.487
   82    HA   LEU  13           HA       LEU  13  -2.293   3.804   3.778
   83    HB2  LEU  13           2HB      LEU  13  -0.613   5.415   1.860
   84    HB3  LEU  13           1HB      LEU  13  -1.217   6.042   3.382
   85    HG   LEU  13           HG       LEU  13   0.570   3.617   3.190
   86   HD11  LEU  13          1HD1      LEU  13   1.739   5.567   2.298
   87   HD12  LEU  13          2HD1      LEU  13   2.398   5.093   3.864
   88   HD13  LEU  13          3HD1      LEU  13   1.324   6.489   3.745
   89   HD21  LEU  13          3HD2      LEU  13  -0.835   3.861   5.222
   90   HD22  LEU  13          1HD2      LEU  13  -0.081   5.424   5.516
   91   HD23  LEU  13          2HD2      LEU  13   0.894   3.956   5.552
   92    H    CYS  14           H        CYS  14  -4.371   3.277   2.405
   93    HA   CYS  14           HA       CYS  14  -5.795   5.776   2.147
   94    HB2  CYS  14           2HB      CYS  14  -6.724   4.680  -0.140
   95    HB3  CYS  14           1HB      CYS  14  -5.407   5.837  -0.109
   96    HG   CYS  14           HG       CYS  14  -4.996   2.442  -0.188
   97    H    LEU  15           H        LEU  15  -8.198   5.343   2.050
   98    HA   LEU  15           HA       LEU  15  -8.842   2.960   3.528
   99    HB2  LEU  15           2HB      LEU  15 -11.283   3.782   2.837
  100    HB3  LEU  15           1HB      LEU  15 -10.402   4.445   4.189
  101    HG   LEU  15           HG       LEU  15  -9.995   5.837   1.618
  102   HD11  LEU  15          1HD1      LEU  15 -12.615   5.972   3.111
  103   HD12  LEU  15          2HD1      LEU  15 -12.386   5.294   1.500
  104   HD13  LEU  15          3HD1      LEU  15 -12.126   7.017   1.777
  105   HD21  LEU  15          3HD2      LEU  15  -9.016   6.598   3.730
  106   HD22  LEU  15          1HD2      LEU  15 -10.631   6.740   4.424
  107   HD23  LEU  15          2HD2      LEU  15 -10.153   7.779   3.080
  108    H    CYS  16           H        CYS  16  -8.174   1.344   2.256
  109    HA   CYS  16           HA       CYS  16  -8.868   0.806  -0.375
  110    HB2  CYS  16           2HB      CYS  16  -7.169  -0.458   0.780
  111    HB3  CYS  16           1HB      CYS  16  -8.332  -1.025   1.966
  112    HG   CYS  16           HG       CYS  16  -9.739  -2.207  -0.487
  113    H    GLU  17           H        GLU  17 -10.237  -1.039   2.297
  114    HA   GLU  17           HA       GLU  17 -12.767  -1.186   0.877
  115    HB2  GLU  17           2HB      GLU  17 -11.664  -3.181   1.983
  116    HB3  GLU  17           1HB      GLU  17 -12.026  -2.437   3.532
  117    HG2  GLU  17           2HG      GLU  17 -14.365  -2.644   3.175
  118    HG3  GLU  17           1HG      GLU  17 -14.129  -3.104   1.489
  119    H    GLY  18           H        GLY  18 -14.782  -0.787   2.164
  120    HA2  GLY  18           2HA      GLY  18 -15.563   1.607   2.537
  121    HA3  GLY  18           1HA      GLY  18 -15.996   0.459   3.786
  122    H    SER  19           H        SER  19 -14.396   0.300   5.636
  123    HA   SER  19           HA       SER  19 -13.315   2.988   6.173
  124    HB2  SER  19           2HB      SER  19 -13.680   2.340   8.617
  125    HB3  SER  19           1HB      SER  19 -15.121   2.681   7.662
  126    HG   SER  19           HG       SER  19 -14.668   0.528   9.044
  127    H    ASN  20           H        ASN  20 -12.287   0.122   5.261
  128    HA   ASN  20           HA       ASN  20 -10.204  -0.349   7.213
  129    HB2  ASN  20           2HB      ASN  20 -10.710  -1.568   4.501
  130    HB3  ASN  20           1HB      ASN  20  -9.364  -2.013   5.533
  131   HD21  ASN  20          1HD2      ASN  20 -12.553  -1.254   6.755
  132   HD22  ASN  20          2HD2      ASN  20 -12.940  -2.853   7.275
  133    H    VAL  21           H        VAL  21  -8.946   1.449   7.280
  134    HA   VAL  21           HA       VAL  21  -7.768   2.475   4.830
  135    HB   VAL  21           HB       VAL  21  -7.246   3.362   7.676
  136   HG11  VAL  21          1HG1      VAL  21  -6.610   4.651   5.027
  137   HG12  VAL  21          2HG1      VAL  21  -5.454   3.982   6.180
  138   HG13  VAL  21          3HG1      VAL  21  -6.397   5.413   6.604
  139   HG21  VAL  21          3HG2      VAL  21  -9.149   4.476   5.619
  140   HG22  VAL  21          1HG2      VAL  21  -8.755   5.239   7.159
  141   HG23  VAL  21          2HG2      VAL  21  -9.583   3.683   7.132
  142    H    CYS  22           H        CYS  22  -6.337   1.073   4.055
  143    HA   CYS  22           HA       CYS  22  -4.753  -0.624   5.695
  144    HB2  CYS  22           2HB      CYS  22  -5.485  -0.478   2.964
  145    HB3  CYS  22           1HB      CYS  22  -3.730  -0.459   3.023
  146    HG   CYS  22           HG       CYS  22  -5.866  -2.903   3.978
  147    H    GLY  23           H        GLY  23  -2.377  -0.758   5.538
  148    HA2  GLY  23           2HA      GLY  23  -1.045   1.809   5.152
  149    HA3  GLY  23           1HA      GLY  23  -1.003   1.111   6.765
  150    H    GLN  24           H        GLN  24   1.111   0.537   6.969
  151    HA   GLN  24           HA       GLN  24   2.499  -0.535   4.650
  152    HB2  GLN  24           2HB      GLN  24   3.556   1.215   6.035
  153    HB3  GLN  24           1HB      GLN  24   3.535   0.124   7.412
  154    HG2  GLN  24           2HG      GLN  24   5.072  -1.366   6.326
  155    HG3  GLN  24           1HG      GLN  24   4.998  -0.419   4.840
  156   HE21  GLN  24          1HE2      GLN  24   6.064   1.543   4.729
  157   HE22  GLN  24          2HE2      GLN  24   7.255   2.024   5.892
  158    H    GLY  25           H        GLY  25   3.243  -2.558   4.447
  159    HA2  GLY  25           2HA      GLY  25   3.625  -4.794   5.154
  160    HA3  GLY  25           1HA      GLY  25   2.618  -4.494   6.570
  161    H    ASN  26           H        ASN  26   0.934  -3.038   4.313
  162    HA   ASN  26           HA       ASN  26  -0.457  -5.467   3.397
  163    HB2  ASN  26           2HB      ASN  26  -1.690  -2.813   4.167
  164    HB3  ASN  26           1HB      ASN  26  -2.566  -4.205   3.541
  165   HD21  ASN  26          1HD2      ASN  26  -0.894  -2.854   6.259
  166   HD22  ASN  26          2HD2      ASN  26  -1.439  -4.002   7.434
  167    H    LYS  27           H        LYS  27  -1.536  -5.285   1.370
  168    HA   LYS  27           HA       LYS  27  -0.851  -2.964  -0.270
  169    HB2  LYS  27           2HB      LYS  27   0.856  -4.577  -0.826
  170    HB3  LYS  27           1HB      LYS  27  -0.339  -5.853  -1.005
  171    HG2  LYS  27           2HG      LYS  27  -0.627  -5.355  -3.137
  172    HG3  LYS  27           1HG      LYS  27  -0.989  -3.675  -2.744
  173    HD2  LYS  27           2HD      LYS  27   0.887  -3.645  -4.201
  174    HD3  LYS  27           1HD      LYS  27   1.490  -3.283  -2.585
  175    HE2  LYS  27           2HE      LYS  27   3.012  -4.801  -3.594
  176    HE3  LYS  27           1HE      LYS  27   2.113  -5.692  -2.371
  177    HZ1  LYS  27           3HZ      LYS  27   2.420  -6.865  -4.528
  178    HZ2  LYS  27           1HZ      LYS  27   1.408  -5.717  -5.254
  179    HZ3  LYS  27           2HZ      LYS  27   0.805  -6.732  -4.035
  180    H    CYS  28           H        CYS  28  -2.667  -2.194  -1.139
  181    HA   CYS  28           HA       CYS  28  -5.021  -3.895  -1.283
  182    HB2  CYS  28           2HB      CYS  28  -5.389  -1.694  -0.368
  183    HB3  CYS  28           1HB      CYS  28  -4.613  -0.936  -1.753
  184    HG   CYS  28           HG       CYS  28  -7.640  -2.516  -1.729
  185    H    ILE  29           H        ILE  29  -5.782  -4.742  -3.116
  186    HA   ILE  29           HA       ILE  29  -4.624  -3.819  -5.639
  187    HB   ILE  29           HB       ILE  29  -5.195  -6.252  -6.397
  188   HG12  ILE  29          2HG1      ILE  29  -4.792  -6.577  -3.420
  189   HG13  ILE  29          1HG1      ILE  29  -6.290  -6.888  -4.291
  190   HG21  ILE  29          1HG2      ILE  29  -2.915  -6.935  -5.865
  191   HG22  ILE  29          2HG2      ILE  29  -2.801  -5.656  -4.656
  192   HG23  ILE  29          3HG2      ILE  29  -2.958  -5.248  -6.364
  193   HD11  ILE  29          3HD1      ILE  29  -3.703  -8.386  -4.649
  194   HD12  ILE  29          1HD1      ILE  29  -5.207  -8.703  -5.511
  195   HD13  ILE  29          2HD1      ILE  29  -5.120  -8.958  -3.769
  196    H    LEU  30           H        LEU  30  -5.937  -3.528  -7.297
  197    HA   LEU  30           HA       LEU  30  -8.799  -3.427  -6.709
  198    HB2  LEU  30           2HB      LEU  30  -6.988  -1.394  -7.263
  199    HB3  LEU  30           1HB      LEU  30  -7.782  -1.653  -8.802
  200    HG   LEU  30           HG       LEU  30  -9.259  -1.094  -6.237
  201   HD11  LEU  30          1HD1      LEU  30  -9.527   1.183  -7.092
  202   HD12  LEU  30          2HD1      LEU  30  -8.465   0.796  -8.445
  203   HD13  LEU  30          3HD1      LEU  30  -7.833   0.795  -6.799
  204   HD21  LEU  30          3HD2      LEU  30 -11.115  -0.571  -7.743
  205   HD22  LEU  30          1HD2      LEU  30 -10.570  -2.234  -7.965
  206   HD23  LEU  30          2HD2      LEU  30 -10.112  -0.993  -9.130
  207    H    GLY  31           H        GLY  31  -9.622  -5.206  -7.772
  208    HA2  GLY  31           2HA      GLY  31  -9.162  -5.257 -10.677
  209    HA3  GLY  31           1HA      GLY  31  -9.266  -6.741  -9.738
  210    H    ARG  32           H        ARG  32 -11.142  -7.707  -9.906
  211    HA   ARG  32           HA       ARG  32 -13.627  -6.232  -9.721
  212    HB2  ARG  32           2HB      ARG  32 -12.800  -7.617 -12.262
  213    HB3  ARG  32           1HB      ARG  32 -14.491  -7.403 -11.839
  214    HG2  ARG  32           2HG      ARG  32 -14.169  -4.981 -11.760
  215    HG3  ARG  32           1HG      ARG  32 -12.474  -5.197 -12.200
  216    HD2  ARG  32           2HD      ARG  32 -14.843  -6.033 -13.866
  217    HD3  ARG  32           1HD      ARG  32 -13.876  -4.581 -14.122
  218    HE   ARG  32           HE       ARG  32 -12.112  -6.714 -14.134
  219   HH11  ARG  32          1HH1      ARG  32 -14.824  -5.567 -16.022
  220   HH12  ARG  32          2HH1      ARG  32 -14.305  -6.352 -17.486
  221   HH21  ARG  32          1HH2      ARG  32 -11.401  -7.723 -16.052
  222   HH22  ARG  32          2HH2      ARG  32 -12.337  -7.549 -17.510
  223    H    GLY  33           H        GLY  33 -15.401  -8.178 -10.526
  224    HA2  GLY  33           2HA      GLY  33 -16.426 -10.077  -9.734
  225    HA3  GLY  33           1HA      GLY  33 -14.818 -10.743  -9.465
  226    H    ASP  34           H        ASP  34 -14.303 -11.156  -7.420
  227    HA   ASP  34           HA       ASP  34 -15.571  -9.508  -5.327
  228    HB2  ASP  34           2HB      ASP  34 -14.590 -12.361  -5.253
  229    HB3  ASP  34           1HB      ASP  34 -14.928 -11.439  -3.790
  230    H    SER  35           H        SER  35 -12.939  -9.676  -7.087
  231    HA   SER  35           HA       SER  35 -11.068  -9.031  -4.908
  232    HB2  SER  35           2HB      SER  35 -10.489 -10.906  -6.538
  233    HB3  SER  35           1HB      SER  35 -10.382  -9.673  -7.789
  234    HG   SER  35           HG       SER  35  -8.661  -8.758  -6.752
  235    H    LYS  36           H        LYS  36 -13.104  -7.238  -5.875
  236    HA   LYS  36           HA       LYS  36 -12.253  -5.440  -7.851
  237    HB2  LYS  36           2HB      LYS  36 -13.834  -4.629  -5.425
  238    HB3  LYS  36           1HB      LYS  36 -13.924  -3.972  -7.048
  239    HG2  LYS  36           2HG      LYS  36 -15.144  -5.827  -7.837
  240    HG3  LYS  36           1HG      LYS  36 -14.777  -6.778  -6.394
  241    HD2  LYS  36           2HD      LYS  36 -16.066  -5.258  -5.023
  242    HD3  LYS  36           1HD      LYS  36 -16.369  -4.234  -6.419
  243    HE2  LYS  36           2HE      LYS  36 -17.619  -6.062  -7.476
  244    HE3  LYS  36           1HE      LYS  36 -17.327  -7.068  -6.056
  245    HZ1  LYS  36           3HZ      LYS  36 -18.522  -5.434  -4.715
  246    HZ2  LYS  36           1HZ      LYS  36 -19.507  -6.067  -5.945
  247    HZ3  LYS  36           2HZ      LYS  36 -18.841  -4.516  -6.105
  248    H    ASN  37           H        ASN  37 -11.930  -5.411  -4.365
  249    HA   ASN  37           HA       ASN  37  -9.674  -3.639  -4.397
  250    HB2  ASN  37           2HB      ASN  37 -11.468  -2.020  -4.562
  251    HB3  ASN  37           1HB      ASN  37 -12.372  -2.823  -3.284
  252   HD21  ASN  37          1HD2      ASN  37  -9.749  -0.717  -4.046
  253   HD22  ASN  37          2HD2      ASN  37  -9.432  -0.211  -2.429
  254    H    GLN  38           H        GLN  38  -8.463  -5.041  -3.176
  255    HA   GLN  38           HA       GLN  38  -9.616  -5.815  -0.583
  256    HB2  GLN  38           2HB      GLN  38  -9.913  -7.665  -2.215
  257    HB3  GLN  38           1HB      GLN  38  -8.169  -7.738  -2.406
  258    HG2  GLN  38           2HG      GLN  38  -9.025  -9.473  -0.904
  259    HG3  GLN  38           1HG      GLN  38  -7.899  -8.383  -0.097
  260   HE21  GLN  38          1HE2      GLN  38 -11.208  -7.498  -0.818
  261   HE22  GLN  38          2HE2      GLN  38 -11.753  -7.475   0.822
  262    H    CYS  39           H        CYS  39  -8.231  -6.004   1.110
  263    HA   CYS  39           HA       CYS  39  -5.560  -4.945   0.751
  264    HB2  CYS  39           2HB      CYS  39  -7.183  -5.604   3.200
  265    HB3  CYS  39           1HB      CYS  39  -5.538  -4.998   3.261
  266    HG   CYS  39           HG       CYS  39  -7.572  -3.087   1.432
  267    H    VAL  40           H        VAL  40  -4.188  -6.488   0.022
  268    HA   VAL  40           HA       VAL  40  -4.152  -9.091   1.359
  269    HB   VAL  40           HB       VAL  40  -4.000  -8.687  -1.193
  270   HG11  VAL  40          1HG1      VAL  40  -1.138  -8.151  -0.433
  271   HG12  VAL  40          2HG1      VAL  40  -2.260  -7.015  -1.183
  272   HG13  VAL  40          3HG1      VAL  40  -1.726  -8.443  -2.070
  273   HG21  VAL  40          3HG2      VAL  40  -2.579 -10.665  -1.486
  274   HG22  VAL  40          1HG2      VAL  40  -3.722 -10.872  -0.159
  275   HG23  VAL  40          2HG2      VAL  40  -2.030 -10.514   0.183
  276    H    THR  41           H        THR  41  -1.900  -9.907   1.978
  277    HA   THR  41           HA       THR  41  -0.582  -7.776   3.475
  278    HB   THR  41           HB       THR  41   0.593  -9.753   4.588
  279    HG1  THR  41           HG1      THR  41  -0.681 -11.744   4.350
  280   HG21  THR  41          3HG2      THR  41  -2.409  -9.495   4.814
  281   HG22  THR  41          1HG2      THR  41  -1.212  -8.522   5.666
  282   HG23  THR  41          2HG2      THR  41  -1.355 -10.247   6.011
  283    H    GLY  42           H        GLY  42   1.156  -6.860   2.667
  284    HA2  GLY  42           2HA      GLY  42   3.382  -8.294   1.680
  285    HA3  GLY  42           1HA      GLY  42   2.463  -7.629   0.337
  286    H    GLU  43           H        GLU  43   3.460  -5.859  -0.389
  287    HA   GLU  43           HA       GLU  43   3.998  -3.733   1.531
  288    HB2  GLU  43           2HB      GLU  43   6.141  -3.314  -0.037
  289    HB3  GLU  43           1HB      GLU  43   6.202  -4.217   1.465
  290    HG2  GLU  43           2HG      GLU  43   7.427  -5.420  -0.172
  291    HG3  GLU  43           1HG      GLU  43   5.943  -6.310   0.150
  292    H    GLY  44           H        GLY  44   2.807  -2.106   0.911
  293    HA2  GLY  44           2HA      GLY  44   2.114  -1.868  -1.920
  294    HA3  GLY  44           1HA      GLY  44   1.250  -1.131  -0.578
  295    H    THR  45           H        THR  45   1.266   0.885  -1.522
  296    HA   THR  45           HA       THR  45   3.741   2.384  -1.306
  297    HB   THR  45           HB       THR  45   2.499   3.175  -3.764
  298    HG1  THR  45           HG1      THR  45   2.189   0.634  -3.460
  299   HG21  THR  45          3HG2      THR  45   5.194   1.943  -3.175
  300   HG22  THR  45          1HG2      THR  45   4.807   3.665  -3.155
  301   HG23  THR  45          2HG2      THR  45   4.755   2.767  -4.671
  302    HA   PRO  46           HA       PRO  46   0.944   5.665  -0.003
  303    HB2  PRO  46           2HB      PRO  46   2.892   7.369  -1.487
  304    HB3  PRO  46           1HB      PRO  46   2.267   7.549   0.158
  305    HG2  PRO  46           2HG      PRO  46   4.735   6.654  -0.246
  306    HG3  PRO  46           1HG      PRO  46   3.715   5.949   1.023
  307    HD2  PRO  46           2HD      PRO  46   4.413   4.861  -1.670
  308    HD3  PRO  46           1HD      PRO  46   4.225   4.008  -0.124
  309    H    LYS  47           H        LYS  47  -0.578   7.083  -1.041
  310    HA   LYS  47           HA       LYS  47  -1.242   5.919  -3.604
  311    HB2  LYS  47           2HB      LYS  47  -2.796   6.004  -1.610
  312    HB3  LYS  47           1HB      LYS  47  -2.949   7.726  -1.901
  313    HG2  LYS  47           2HG      LYS  47  -3.590   6.961  -4.311
  314    HG3  LYS  47           1HG      LYS  47  -3.942   5.438  -3.503
  315    HD2  LYS  47           2HD      LYS  47  -5.981   6.402  -3.240
  316    HD3  LYS  47           1HD      LYS  47  -5.194   7.102  -1.826
  317    HE2  LYS  47           2HE      LYS  47  -5.475   8.408  -4.532
  318    HE3  LYS  47           1HE      LYS  47  -6.423   8.791  -3.097
  319    HZ1  LYS  47           3HZ      LYS  47  -4.327   9.458  -1.996
  320    HZ2  LYS  47           1HZ      LYS  47  -4.695  10.404  -3.355
  321    HZ3  LYS  47           2HZ      LYS  47  -3.504   9.208  -3.453
  322    HA   PRO  48           HA       PRO  48  -0.428   9.771  -5.836
  323    HB2  PRO  48           2HB      PRO  48  -0.923   8.040  -8.137
  324    HB3  PRO  48           1HB      PRO  48   0.532   8.953  -7.735
  325    HG2  PRO  48           2HG      PRO  48   0.440   6.253  -7.641
  326    HG3  PRO  48           1HG      PRO  48   1.456   7.213  -6.547
  327    HD2  PRO  48           2HD      PRO  48  -1.209   5.942  -6.036
  328    HD3  PRO  48           1HD      PRO  48   0.226   6.009  -4.990
  329    H    GLN  49           H        GLN  49  -1.854  10.167  -8.143
  330    HA   GLN  49           HA       GLN  49  -4.616   9.672  -7.780
  331    HB2  GLN  49           2HB      GLN  49  -5.021  12.189  -7.110
  332    HB3  GLN  49           1HB      GLN  49  -4.736  10.956  -5.887
  333    HG2  GLN  49           2HG      GLN  49  -2.230  11.657  -6.215
  334    HG3  GLN  49           1HG      GLN  49  -2.949  13.141  -6.830
  335   HE21  GLN  49          1HE2      GLN  49  -2.178  14.362  -5.087
  336   HE22  GLN  49          2HE2      GLN  49  -2.846  14.216  -3.497
  337    H    SER  50           H        SER  50  -2.478  12.368  -8.741
  338    HA   SER  50           HA       SER  50  -3.353  11.978 -11.476
  339    HB2  SER  50           2HB      SER  50  -3.534  14.678 -10.132
  340    HB3  SER  50           1HB      SER  50  -3.850  14.350 -11.836
  341    HG   SER  50           HG       SER  50  -5.327  12.671 -10.423
  342    H    HIS  51           H        HIS  51  -1.444  14.234  -9.477
  343    HA   HIS  51           HA       HIS  51   0.857  13.620 -11.213
  344    HB2  HIS  51           2HB      HIS  51   0.517  16.254  -9.793
  345    HB3  HIS  51           1HB      HIS  51   1.656  15.850 -11.066
  346    HD1  HIS  51           HD1      HIS  51  -1.578  17.379 -10.495
  347    HD2  HIS  51           HD2      HIS  51   0.360  15.550 -13.685
  348    HE1  HIS  51           HE1      HIS  51  -2.857  18.069 -12.549
  349    HE2  HIS  51           HE2      HIS  51  -1.546  17.118 -14.484
  Start of MODEL   20
    1    H1   VAL   1           1H       VAL   1  -5.564  13.825   9.219
    2    H2   VAL   1           2H       VAL   1  -5.404  15.258   8.328
    3    H3   VAL   1           3H       VAL   1  -4.067  14.617   9.148
    4    HA   VAL   1           HA       VAL   1  -3.963  14.197   6.759
    5    HB   VAL   1           HB       VAL   1  -4.329  11.752   8.464
    6   HG11  VAL   1          1HG1      VAL   1  -2.910  12.046   5.827
    7   HG12  VAL   1          2HG1      VAL   1  -4.406  11.159   6.111
    8   HG13  VAL   1          3HG1      VAL   1  -2.901  10.605   6.842
    9   HG21  VAL   1          3HG2      VAL   1  -2.669  13.308   9.334
   10   HG22  VAL   1          1HG2      VAL   1  -1.851  13.313   7.774
   11   HG23  VAL   1          2HG2      VAL   1  -1.907  11.834   8.735
   12    H    VAL   2           H        VAL   2  -5.064  13.810   4.912
   13    HA   VAL   2           HA       VAL   2  -7.711  12.529   5.158
   14    HB   VAL   2           HB       VAL   2  -7.044  14.840   3.322
   15   HG11  VAL   2          1HG1      VAL   2  -9.658  13.434   3.861
   16   HG12  VAL   2          2HG1      VAL   2  -8.699  13.320   2.384
   17   HG13  VAL   2          3HG1      VAL   2  -9.444  14.853   2.838
   18   HG21  VAL   2          3HG2      VAL   2  -8.565  16.158   4.724
   19   HG22  VAL   2          1HG2      VAL   2  -7.164  15.588   5.633
   20   HG23  VAL   2          2HG2      VAL   2  -8.725  14.791   5.826
   21    H    TYR   3           H        TYR   3  -7.449  10.589   4.227
   22    HA   TYR   3           HA       TYR   3  -6.075  10.471   1.635
   23    HB2  TYR   3           2HB      TYR   3  -6.795   8.323   3.627
   24    HB3  TYR   3           1HB      TYR   3  -6.263   7.951   1.990
   25    HD1  TYR   3           HD2      TYR   3  -4.059   9.489   1.367
   26    HD2  TYR   3           HD1      TYR   3  -5.152   8.065   5.221
   27    HE1  TYR   3           HE2      TYR   3  -1.719   9.674   2.089
   28    HE2  TYR   3           HE1      TYR   3  -2.811   8.242   5.955
   29    HH   TYR   3           HH       TYR   3  -0.574   8.319   5.011
   30    H    THR   4           H        THR   4  -7.131   8.659   0.205
   31    HA   THR   4           HA       THR   4 -10.015   9.127   0.093
   32    HB   THR   4           HB       THR   4  -9.722   9.236  -2.440
   33    HG1  THR   4           HG1      THR   4  -7.561  10.077  -3.012
   34   HG21  THR   4          3HG2      THR   4  -9.139  11.632  -2.420
   35   HG22  THR   4          1HG2      THR   4  -8.574  11.472  -0.757
   36   HG23  THR   4          2HG2      THR   4 -10.277  11.219  -1.138
   37    H    ASP   5           H        ASP   5 -10.450   7.632  -2.268
   38    HA   ASP   5           HA       ASP   5 -10.070   4.969  -1.162
   39    HB2  ASP   5           2HB      ASP   5 -11.558   5.800  -3.676
   40    HB3  ASP   5           1HB      ASP   5 -11.646   4.232  -2.883
   41    H    CYS   6           H        CYS   6  -9.333   3.198  -2.573
   42    HA   CYS   6           HA       CYS   6  -6.798   3.857  -3.631
   43    HB2  CYS   6           2HB      CYS   6  -8.118   1.234  -4.194
   44    HB3  CYS   6           1HB      CYS   6  -6.435   1.587  -3.825
   45    HG   CYS   6           HG       CYS   6  -8.580   0.357  -1.848
   46    H    THR   7           H        THR   7  -6.087   4.133  -5.623
   47    HA   THR   7           HA       THR   7  -8.080   4.238  -7.769
   48    HB   THR   7           HB       THR   7  -5.387   5.595  -7.679
   49    HG1  THR   7           HG1      THR   7  -7.632   7.160  -7.252
   50   HG21  THR   7          3HG2      THR   7  -6.394   5.428  -9.900
   51   HG22  THR   7          1HG2      THR   7  -6.383   7.100  -9.341
   52   HG23  THR   7          2HG2      THR   7  -7.877   6.164  -9.292
   53    H    GLU   8           H        GLU   8  -5.179   2.685  -6.738
   54    HA   GLU   8           HA       GLU   8  -5.015   1.252  -9.280
   55    HB2  GLU   8           2HB      GLU   8  -3.108   3.185  -8.332
   56    HB3  GLU   8           1HB      GLU   8  -2.362   1.597  -8.382
   57    HG2  GLU   8           2HG      GLU   8  -3.794   2.887 -10.692
   58    HG3  GLU   8           1HG      GLU   8  -2.049   2.913 -10.443
   59    H    SER   9           H        SER   9  -3.844  -0.736  -9.132
   60    HA   SER   9           HA       SER   9  -4.251  -2.028  -6.565
   61    HB2  SER   9           2HB      SER   9  -3.379  -3.190  -9.228
   62    HB3  SER   9           1HB      SER   9  -3.873  -4.109  -7.805
   63    HG   SER   9           HG       SER   9  -5.531  -2.232  -9.162
   64    H    GLY  10           H        GLY  10  -2.665  -2.293  -5.138
   65    HA2  GLY  10           2HA      GLY  10  -0.325  -3.015  -4.783
   66    HA3  GLY  10           1HA      GLY  10   0.113  -1.947  -6.113
   67    H    GLN  11           H        GLN  11  -2.222  -0.302  -4.678
   68    HA   GLN  11           HA       GLN  11  -0.382   1.307  -3.083
   69    HB2  GLN  11           2HB      GLN  11  -3.011   1.699  -4.346
   70    HB3  GLN  11           1HB      GLN  11  -2.875   2.430  -2.750
   71    HG2  GLN  11           2HG      GLN  11  -1.886   4.156  -3.708
   72    HG3  GLN  11           1HG      GLN  11  -0.516   3.109  -4.066
   73   HE21  GLN  11          1HE2      GLN  11  -3.343   4.657  -5.318
   74   HE22  GLN  11          2HE2      GLN  11  -3.010   4.376  -6.993
   75    H    ASN  12           H        ASN  12  -1.491   2.177  -0.941
   76    HA   ASN  12           HA       ASN  12  -3.105   0.145   0.341
   77    HB2  ASN  12           2HB      ASN  12  -1.548   0.192   2.361
   78    HB3  ASN  12           1HB      ASN  12  -1.122  -0.830   1.002
   79   HD21  ASN  12          1HD2      ASN  12   1.004  -0.882   1.670
   80   HD22  ASN  12          2HD2      ASN  12   2.072   0.465   1.464
   81    H    LEU  13           H        LEU  13  -1.254   3.071   1.093
   82    HA   LEU  13           HA       LEU  13  -2.846   4.007   3.183
   83    HB2  LEU  13           2HB      LEU  13  -1.103   5.508   1.241
   84    HB3  LEU  13           1HB      LEU  13  -1.847   6.249   2.644
   85    HG   LEU  13           HG       LEU  13   0.098   3.944   2.769
   86   HD11  LEU  13          1HD1      LEU  13   1.690   5.629   3.615
   87   HD12  LEU  13          2HD1      LEU  13   0.519   6.895   3.238
   88   HD13  LEU  13          3HD1      LEU  13   1.218   5.925   1.942
   89   HD21  LEU  13          3HD2      LEU  13   0.187   4.496   5.155
   90   HD22  LEU  13          1HD2      LEU  13  -1.437   4.024   4.657
   91   HD23  LEU  13          2HD2      LEU  13  -1.056   5.726   4.913
   92    H    CYS  14           H        CYS  14  -4.839   3.334   2.060
   93    HA   CYS  14           HA       CYS  14  -6.305   5.699   1.237
   94    HB2  CYS  14           2HB      CYS  14  -7.310   4.228  -0.689
   95    HB3  CYS  14           1HB      CYS  14  -5.820   5.111  -0.951
   96    HG   CYS  14           HG       CYS  14  -5.148   2.120   0.248
   97    H    LEU  15           H        LEU  15  -8.709   5.201   1.185
   98    HA   LEU  15           HA       LEU  15  -9.392   3.381   3.321
   99    HB2  LEU  15           2HB      LEU  15 -11.572   4.270   1.557
  100    HB3  LEU  15           1HB      LEU  15 -11.467   4.295   3.304
  101    HG   LEU  15           HG       LEU  15 -10.155   6.331   1.489
  102   HD11  LEU  15          1HD1      LEU  15 -12.703   6.507   3.084
  103   HD12  LEU  15          2HD1      LEU  15 -12.571   6.484   1.326
  104   HD13  LEU  15          3HD1      LEU  15 -11.926   7.846   2.242
  105   HD21  LEU  15          3HD2      LEU  15 -10.564   6.290   4.473
  106   HD22  LEU  15          1HD2      LEU  15  -9.896   7.632   3.545
  107   HD23  LEU  15          2HD2      LEU  15  -9.026   6.101   3.627
  108    H    CYS  16           H        CYS  16  -8.687   1.444   2.555
  109    HA   CYS  16           HA       CYS  16  -9.317   0.470  -0.026
  110    HB2  CYS  16           2HB      CYS  16  -8.087  -0.721   2.421
  111    HB3  CYS  16           1HB      CYS  16  -8.300  -1.635   0.939
  112    HG   CYS  16           HG       CYS  16  -6.855   0.850  -0.241
  113    H    GLU  17           H        GLU  17  -9.921  -1.193   3.005
  114    HA   GLU  17           HA       GLU  17 -12.179  -2.567   1.812
  115    HB2  GLU  17           2HB      GLU  17 -10.372  -3.490   3.456
  116    HB3  GLU  17           1HB      GLU  17 -11.432  -2.772   4.651
  117    HG2  GLU  17           2HG      GLU  17 -13.294  -4.127   3.772
  118    HG3  GLU  17           1HG      GLU  17 -12.155  -4.918   2.681
  119    H    GLY  18           H        GLY  18 -14.098  -1.784   1.960
  120    HA2  GLY  18           2HA      GLY  18 -15.827  -0.328   2.458
  121    HA3  GLY  18           1HA      GLY  18 -15.518  -0.865   4.103
  122    H    SER  19           H        SER  19 -14.447   0.452   5.516
  123    HA   SER  19           HA       SER  19 -13.748   3.140   4.541
  124    HB2  SER  19           2HB      SER  19 -14.211   3.753   6.985
  125    HB3  SER  19           1HB      SER  19 -15.604   3.418   5.958
  126    HG   SER  19           HG       SER  19 -15.123   2.320   8.225
  127    H    ASN  20           H        ASN  20 -12.347   0.356   5.484
  128    HA   ASN  20           HA       ASN  20 -10.552   1.249   7.523
  129    HB2  ASN  20           2HB      ASN  20 -10.582  -1.207   5.766
  130    HB3  ASN  20           1HB      ASN  20  -9.314  -0.901   6.945
  131   HD21  ASN  20          1HD2      ASN  20 -12.660  -0.024   7.469
  132   HD22  ASN  20          2HD2      ASN  20 -12.965  -1.186   8.709
  133    H    VAL  21           H        VAL  21  -8.796   2.394   7.298
  134    HA   VAL  21           HA       VAL  21  -7.788   3.006   4.630
  135    HB   VAL  21           HB       VAL  21  -6.741   4.051   7.270
  136   HG11  VAL  21          1HG1      VAL  21  -6.003   5.956   5.921
  137   HG12  VAL  21          2HG1      VAL  21  -6.634   5.171   4.473
  138   HG13  VAL  21          3HG1      VAL  21  -5.297   4.439   5.359
  139   HG21  VAL  21          3HG2      VAL  21  -8.213   6.017   6.907
  140   HG22  VAL  21          1HG2      VAL  21  -9.091   4.531   7.267
  141   HG23  VAL  21          2HG2      VAL  21  -9.011   5.126   5.612
  142    H    CYS  22           H        CYS  22  -6.432   1.504   3.847
  143    HA   CYS  22           HA       CYS  22  -4.905  -0.171   5.584
  144    HB2  CYS  22           2HB      CYS  22  -5.734  -0.294   2.871
  145    HB3  CYS  22           1HB      CYS  22  -3.979  -0.380   2.890
  146    HG   CYS  22           HG       CYS  22  -5.853  -2.400   4.897
  147    H    GLY  23           H        GLY  23  -2.529  -0.479   5.270
  148    HA2  GLY  23           2HA      GLY  23  -1.098   1.960   4.561
  149    HA3  GLY  23           1HA      GLY  23  -1.026   1.453   6.244
  150    H    GLN  24           H        GLN  24   1.094   0.856   6.396
  151    HA   GLN  24           HA       GLN  24   2.284  -0.625   4.200
  152    HB2  GLN  24           2HB      GLN  24   3.446   0.545   6.729
  153    HB3  GLN  24           1HB      GLN  24   4.387  -0.370   5.557
  154    HG2  GLN  24           2HG      GLN  24   3.942   1.261   3.850
  155    HG3  GLN  24           1HG      GLN  24   2.857   2.143   4.923
  156   HE21  GLN  24          1HE2      GLN  24   5.235   3.064   3.548
  157   HE22  GLN  24          2HE2      GLN  24   6.295   3.662   4.775
  158    H    GLY  25           H        GLY  25   3.085  -2.672   4.329
  159    HA2  GLY  25           2HA      GLY  25   3.299  -4.806   5.352
  160    HA3  GLY  25           1HA      GLY  25   2.235  -4.264   6.649
  161    H    ASN  26           H        ASN  26   0.709  -3.001   4.218
  162    HA   ASN  26           HA       ASN  26  -0.608  -5.465   3.317
  163    HB2  ASN  26           2HB      ASN  26  -1.929  -2.842   4.042
  164    HB3  ASN  26           1HB      ASN  26  -2.752  -4.213   3.306
  165   HD21  ASN  26          1HD2      ASN  26  -1.307  -2.943   6.190
  166   HD22  ASN  26          2HD2      ASN  26  -1.930  -4.137   7.270
  167    H    LYS  27           H        LYS  27  -1.514  -5.393   1.247
  168    HA   LYS  27           HA       LYS  27  -0.805  -3.096  -0.431
  169    HB2  LYS  27           2HB      LYS  27   0.923  -4.774  -0.803
  170    HB3  LYS  27           1HB      LYS  27  -0.293  -6.015  -1.065
  171    HG2  LYS  27           2HG      LYS  27  -0.559  -5.460  -3.208
  172    HG3  LYS  27           1HG      LYS  27  -0.562  -3.729  -2.859
  173    HD2  LYS  27           2HD      LYS  27   1.334  -4.361  -4.278
  174    HD3  LYS  27           1HD      LYS  27   1.870  -3.736  -2.721
  175    HE2  LYS  27           2HE      LYS  27   3.224  -5.610  -3.139
  176    HE3  LYS  27           1HE      LYS  27   2.022  -6.155  -1.971
  177    HZ1  LYS  27           3HZ      LYS  27   0.768  -7.148  -3.796
  178    HZ2  LYS  27           1HZ      LYS  27   2.338  -7.782  -3.702
  179    HZ3  LYS  27           2HZ      LYS  27   1.954  -6.646  -4.899
  180    H    CYS  28           H        CYS  28  -2.664  -2.336  -1.224
  181    HA   CYS  28           HA       CYS  28  -4.992  -4.075  -1.274
  182    HB2  CYS  28           2HB      CYS  28  -5.007  -1.741  -0.291
  183    HB3  CYS  28           1HB      CYS  28  -4.873  -1.139  -1.940
  184    HG   CYS  28           HG       CYS  28  -7.339  -1.533  -2.692
  185    H    ILE  29           H        ILE  29  -5.900  -4.851  -3.061
  186    HA   ILE  29           HA       ILE  29  -4.958  -3.828  -5.639
  187    HB   ILE  29           HB       ILE  29  -5.130  -6.246  -6.451
  188   HG12  ILE  29          2HG1      ILE  29  -4.823  -6.740  -3.485
  189   HG13  ILE  29          1HG1      ILE  29  -6.259  -7.110  -4.433
  190   HG21  ILE  29          1HG2      ILE  29  -3.027  -5.026  -6.251
  191   HG22  ILE  29          2HG2      ILE  29  -2.823  -6.721  -5.807
  192   HG23  ILE  29          3HG2      ILE  29  -2.913  -5.484  -4.551
  193   HD11  ILE  29          3HD1      ILE  29  -4.946  -8.702  -5.763
  194   HD12  ILE  29          1HD1      ILE  29  -4.972  -9.113  -4.049
  195   HD13  ILE  29          2HD1      ILE  29  -3.540  -8.361  -4.754
  196    H    LEU  30           H        LEU  30  -6.469  -3.387  -7.016
  197    HA   LEU  30           HA       LEU  30  -9.238  -3.899  -6.450
  198    HB2  LEU  30           2HB      LEU  30  -7.899  -2.551  -8.805
  199    HB3  LEU  30           1HB      LEU  30  -9.625  -2.564  -8.490
  200    HG   LEU  30           HG       LEU  30  -7.695  -1.417  -6.502
  201   HD11  LEU  30          1HD1      LEU  30  -7.293  -0.283  -8.636
  202   HD12  LEU  30          2HD1      LEU  30  -8.093   0.784  -7.484
  203   HD13  LEU  30          3HD1      LEU  30  -9.019   0.045  -8.789
  204   HD21  LEU  30          3HD2      LEU  30  -9.667  -0.131  -5.823
  205   HD22  LEU  30          1HD2      LEU  30  -9.956  -1.868  -5.729
  206   HD23  LEU  30          2HD2      LEU  30 -10.617  -0.935  -7.072
  207    H    GLY  31           H        GLY  31  -9.593  -6.062  -6.696
  208    HA2  GLY  31           2HA      GLY  31  -8.616  -7.440  -9.066
  209    HA3  GLY  31           1HA      GLY  31  -9.422  -8.175  -7.688
  210    H    ARG  32           H        ARG  32 -11.464  -8.757  -7.918
  211    HA   ARG  32           HA       ARG  32 -13.304  -7.476  -9.684
  212    HB2  ARG  32           2HB      ARG  32 -13.578  -9.352 -11.256
  213    HB3  ARG  32           1HB      ARG  32 -11.964  -8.660 -11.360
  214    HG2  ARG  32           2HG      ARG  32 -11.316 -10.546  -9.704
  215    HG3  ARG  32           1HG      ARG  32 -12.822 -11.295 -10.240
  216    HD2  ARG  32           2HD      ARG  32 -11.084 -12.153 -11.616
  217    HD3  ARG  32           1HD      ARG  32 -12.012 -11.016 -12.593
  218    HE   ARG  32           HE       ARG  32  -9.576 -10.060 -11.269
  219   HH11  ARG  32          1HH1      ARG  32 -11.219 -11.000 -14.226
  220   HH12  ARG  32          2HH1      ARG  32 -10.050 -10.232 -15.264
  221   HH21  ARG  32          1HH2      ARG  32  -8.044  -9.070 -12.627
  222   HH22  ARG  32          2HH2      ARG  32  -8.237  -9.136 -14.353
  223    H    GLY  33           H        GLY  33 -15.430  -8.387  -9.511
  224    HA2  GLY  33           2HA      GLY  33 -17.013  -9.840  -8.531
  225    HA3  GLY  33           1HA      GLY  33 -15.749 -10.523  -7.536
  226    H    ASP  34           H        ASP  34 -16.796 -10.259  -5.577
  227    HA   ASP  34           HA       ASP  34 -17.243  -7.532  -4.648
  228    HB2  ASP  34           2HB      ASP  34 -17.817  -8.542  -2.510
  229    HB3  ASP  34           1HB      ASP  34 -18.657  -9.416  -3.785
  230    H    SER  35           H        SER  35 -14.825  -9.547  -5.345
  231    HA   SER  35           HA       SER  35 -12.895  -8.623  -3.381
  232    HB2  SER  35           2HB      SER  35 -12.876 -10.622  -5.640
  233    HB3  SER  35           1HB      SER  35 -11.406 -10.156  -4.811
  234    HG   SER  35           HG       SER  35 -13.645 -11.555  -3.838
  235    H    LYS  36           H        LYS  36 -14.139  -6.746  -5.250
  236    HA   LYS  36           HA       LYS  36 -12.274  -6.272  -7.370
  237    HB2  LYS  36           2HB      LYS  36 -13.652  -4.202  -7.766
  238    HB3  LYS  36           1HB      LYS  36 -14.509  -5.726  -7.882
  239    HG2  LYS  36           2HG      LYS  36 -15.984  -4.346  -6.750
  240    HG3  LYS  36           1HG      LYS  36 -15.232  -5.274  -5.458
  241    HD2  LYS  36           2HD      LYS  36 -13.865  -3.448  -4.817
  242    HD3  LYS  36           1HD      LYS  36 -14.248  -2.558  -6.293
  243    HE2  LYS  36           2HE      LYS  36 -15.458  -1.639  -4.391
  244    HE3  LYS  36           1HE      LYS  36 -16.569  -2.336  -5.567
  245    HZ1  LYS  36           3HZ      LYS  36 -15.674  -3.629  -3.044
  246    HZ2  LYS  36           1HZ      LYS  36 -16.746  -4.309  -4.177
  247    HZ3  LYS  36           2HZ      LYS  36 -17.193  -2.919  -3.315
  248    H    ASN  37           H        ASN  37 -12.330  -5.477  -4.129
  249    HA   ASN  37           HA       ASN  37  -9.846  -4.056  -4.417
  250    HB2  ASN  37           2HB      ASN  37 -11.466  -2.187  -4.428
  251    HB3  ASN  37           1HB      ASN  37 -12.164  -2.783  -2.926
  252   HD21  ASN  37          1HD2      ASN  37 -10.872  -2.756  -1.043
  253   HD22  ASN  37          2HD2      ASN  37  -9.588  -1.613  -0.873
  254    H    GLN  38           H        GLN  38  -8.621  -5.375  -3.154
  255    HA   GLN  38           HA       GLN  38  -9.675  -6.029  -0.493
  256    HB2  GLN  38           2HB      GLN  38 -10.088  -7.957  -1.980
  257    HB3  GLN  38           1HB      GLN  38  -8.372  -8.027  -2.353
  258    HG2  GLN  38           2HG      GLN  38  -8.979  -9.712  -0.720
  259    HG3  GLN  38           1HG      GLN  38  -7.871  -8.532  -0.027
  260   HE21  GLN  38          1HE2      GLN  38 -11.280  -7.906  -0.536
  261   HE22  GLN  38          2HE2      GLN  38 -11.710  -7.856   1.138
  262    H    CYS  39           H        CYS  39  -8.199  -6.100   1.135
  263    HA   CYS  39           HA       CYS  39  -5.552  -5.079   0.553
  264    HB2  CYS  39           2HB      CYS  39  -6.987  -5.601   3.151
  265    HB3  CYS  39           1HB      CYS  39  -5.374  -4.920   3.030
  266    HG   CYS  39           HG       CYS  39  -6.043  -2.484   2.325
  267    H    VAL  40           H        VAL  40  -4.386  -6.788  -0.287
  268    HA   VAL  40           HA       VAL  40  -4.200  -9.246   1.249
  269    HB   VAL  40           HB       VAL  40  -4.235  -9.075  -1.313
  270   HG11  VAL  40          1HG1      VAL  40  -1.344  -8.364  -0.864
  271   HG12  VAL  40          2HG1      VAL  40  -2.579  -7.325  -1.577
  272   HG13  VAL  40          3HG1      VAL  40  -2.072  -8.794  -2.412
  273   HG21  VAL  40          3HG2      VAL  40  -2.702 -10.993  -1.555
  274   HG22  VAL  40          1HG2      VAL  40  -3.780 -11.148  -0.168
  275   HG23  VAL  40          2HG2      VAL  40  -2.096 -10.682   0.073
  276    H    THR  41           H        THR  41  -1.958 -10.018   1.846
  277    HA   THR  41           HA       THR  41  -0.707  -7.816   3.260
  278    HB   THR  41           HB       THR  41   0.602  -9.713   4.358
  279    HG1  THR  41           HG1      THR  41  -0.264 -11.786   4.071
  280   HG21  THR  41          3HG2      THR  41  -1.272 -10.318   5.811
  281   HG22  THR  41          1HG2      THR  41  -2.408  -9.698   4.612
  282   HG23  THR  41          2HG2      THR  41  -1.299  -8.597   5.429
  283    H    GLY  42           H        GLY  42   1.132  -6.939   2.801
  284    HA2  GLY  42           2HA      GLY  42   3.421  -8.072   1.784
  285    HA3  GLY  42           1HA      GLY  42   2.490  -7.564   0.380
  286    H    GLU  43           H        GLU  43   3.794  -5.916  -0.269
  287    HA   GLU  43           HA       GLU  43   3.893  -3.600   1.533
  288    HB2  GLU  43           2HB      GLU  43   6.050  -4.805  -0.162
  289    HB3  GLU  43           1HB      GLU  43   6.068  -3.081   0.183
  290    HG2  GLU  43           2HG      GLU  43   5.872  -5.131   2.358
  291    HG3  GLU  43           1HG      GLU  43   7.416  -4.589   1.704
  292    H    GLY  44           H        GLY  44   2.685  -2.038   0.744
  293    HA2  GLY  44           2HA      GLY  44   2.156  -2.019  -2.141
  294    HA3  GLY  44           1HA      GLY  44   1.140  -1.290  -0.910
  295    H    THR  45           H        THR  45   1.044   0.706  -1.781
  296    HA   THR  45           HA       THR  45   3.437   2.353  -1.612
  297    HB   THR  45           HB       THR  45   2.273   3.340  -3.896
  298    HG1  THR  45           HG1      THR  45   1.763   0.627  -3.742
  299   HG21  THR  45          3HG2      THR  45   4.683   3.112  -3.470
  300   HG22  THR  45          1HG2      THR  45   4.251   2.492  -5.063
  301   HG23  THR  45          2HG2      THR  45   4.561   1.373  -3.735
  302    HA   PRO  46           HA       PRO  46   0.485   5.352  -0.019
  303    HB2  PRO  46           2HB      PRO  46   2.337   7.303  -1.292
  304    HB3  PRO  46           1HB      PRO  46   1.752   7.236   0.373
  305    HG2  PRO  46           2HG      PRO  46   4.251   6.540  -0.212
  306    HG3  PRO  46           1HG      PRO  46   3.315   5.642   0.997
  307    HD2  PRO  46           2HD      PRO  46   3.944   4.911  -1.837
  308    HD3  PRO  46           1HD      PRO  46   3.899   3.880  -0.391
  309    H    LYS  47           H        LYS  47  -1.185   6.580  -0.949
  310    HA   LYS  47           HA       LYS  47  -1.475   6.091  -3.796
  311    HB2  LYS  47           2HB      LYS  47  -3.253   5.689  -1.914
  312    HB3  LYS  47           1HB      LYS  47  -3.575   7.408  -2.113
  313    HG2  LYS  47           2HG      LYS  47  -3.681   6.747  -4.653
  314    HG3  LYS  47           1HG      LYS  47  -4.049   5.160  -3.983
  315    HD2  LYS  47           2HD      LYS  47  -6.168   5.907  -3.983
  316    HD3  LYS  47           1HD      LYS  47  -5.680   6.736  -2.504
  317    HE2  LYS  47           2HE      LYS  47  -5.551   7.928  -5.271
  318    HE3  LYS  47           1HE      LYS  47  -6.858   8.203  -4.122
  319    HZ1  LYS  47           3HZ      LYS  47  -4.016   9.023  -3.845
  320    HZ2  LYS  47           1HZ      LYS  47  -5.149   9.121  -2.588
  321    HZ3  LYS  47           2HZ      LYS  47  -5.374  10.025  -3.996
  322    HA   PRO  48           HA       PRO  48   0.045  10.264  -4.536
  323    HB2  PRO  48           2HB      PRO  48  -0.791   9.570  -7.297
  324    HB3  PRO  48           1HB      PRO  48   0.773  10.138  -6.703
  325    HG2  PRO  48           2HG      PRO  48   0.430   7.598  -7.436
  326    HG3  PRO  48           1HG      PRO  48   1.443   8.023  -6.044
  327    HD2  PRO  48           2HD      PRO  48  -1.344   6.935  -6.098
  328    HD3  PRO  48           1HD      PRO  48  -0.001   6.542  -5.006
  329    H    GLN  49           H        GLN  49  -0.823  12.229  -5.252
  330    HA   GLN  49           HA       GLN  49  -3.745  12.232  -5.566
  331    HB2  GLN  49           2HB      GLN  49  -3.536  14.353  -3.998
  332    HB3  GLN  49           1HB      GLN  49  -3.726  12.735  -3.356
  333    HG2  GLN  49           2HG      GLN  49  -1.281  12.592  -3.066
  334    HG3  GLN  49           1HG      GLN  49  -1.153  14.263  -3.602
  335   HE21  GLN  49          1HE2      GLN  49  -0.273  14.931  -1.632
  336   HE22  GLN  49          2HE2      GLN  49  -1.237  15.063  -0.202
  337    H    SER  50           H        SER  50  -0.701  13.988  -6.003
  338    HA   SER  50           HA       SER  50  -2.154  15.689  -7.929
  339    HB2  SER  50           2HB      SER  50  -0.496  17.517  -7.305
  340    HB3  SER  50           1HB      SER  50  -1.734  17.134  -6.111
  341    HG   SER  50           HG       SER  50  -0.120  15.754  -5.115
  342    H    HIS  51           H        HIS  51  -1.283  16.043  -9.873
  343    HA   HIS  51           HA       HIS  51   1.023  14.481 -10.670
  344    HB2  HIS  51           2HB      HIS  51  -0.611  16.468 -12.254
  345    HB3  HIS  51           1HB      HIS  51   0.565  15.344 -12.919
  346    HD1  HIS  51           HD1      HIS  51  -2.810  15.672 -13.095
  347    HD2  HIS  51           HD2      HIS  51  -0.431  12.539 -11.735
  348    HE1  HIS  51           HE1      HIS  51  -4.238  13.607 -13.268
  349    HE2  HIS  51           HE2      HIS  51  -2.706  11.704 -12.646