*HEADER    HYDROLASE                               24-JUN-03   1PU3              
*TITLE     THE SOLUTION NMR STRUCTURE AND DYNAMICS OF A RECOMBINANT              
*TITLE    2 ONCONASE WITH ALTERED N-TERMINAL AND MET23 RESIDUES                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: P-30 PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ONCONASE;                                                   
*COMPND   5 EC: 3.1.27.-;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RANA PIPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: NORTHERN LEOPARD FROG;                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-11D                                   
*KEYWDS    BOWL-SHAPED FOLDING OF THE TWO SHEETS                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    V.Y.GORBATYUK, C.K.TSAI, C.F.CHANG, T.H.HUANG                         
*REVDAT   1   16-MAR-04 1PU3    0                                                

!! (M-1,Q1,M23L)rONC 105 a.a.
!! Revised by Vitaliy Gorbatyuk on 2002.04.04
!! 
!! phi&psi-angles

!!Gln2

!!ASSIGN (resid     1 and name     C) (resid     2 and name     N)
!!       (resid     2 and name    CA) (resid     2 and name     C)  1.00 -114.00 30.00 2
!!ASSIGN (resid     2 and name     N) (resid     2 and name    CA)
!!       (resid     2 and name     C) (resid     3 and name     N)  1.00  122.00 30.00 2

!!Asp3
!!HNHA J=7.21:
ASSIGN (resid     2 and name     C) (resid     3 and name     N)
       (resid     3 and name    CA) (resid     3 and name     C)  1.00 -160.00 20.00 2
!!Talos:
!!ASSIGN (resid     2 and name     C) (resid     3 and name     N)
!!       (resid     3 and name    CA) (resid     3 and name     C)  1.00  -96.00 30.00 2
!!ASSIGN (resid     3 and name     N) (resid     3 and name    CA)
!!       (resid     3 and name     C) (resid     4 and name     N)  1.00  135.00 30.00 2

!!Trp4

!!HNHA J=2.3:
ASSIGN (resid     3 and name     C) (resid     4 and name     N)
       (resid     4 and name    CA) (resid     4 and name     C)  1.00  -40.00 30.00 2
!!Talos:
!!ASSIGN (resid     3 and name     C) (resid     4 and name     N)
!!       (resid     4 and name    CA) (resid     4 and name     C)  1.00  -94.00 30.00 2
!!ASSIGN (resid     4 and name     N) (resid     4 and name    CA)
!!       (resid     4 and name     C) (resid     5 and name     N)  1.00  157.00 30.00 2

!!Leu5

ASSIGN (resid     4 and name     C) (resid     5 and name     N)
       (resid     5 and name    CA) (resid     5 and name     C)  1.00  -62.00 20.00 2
ASSIGN (resid     5 and name     N) (resid     5 and name    CA)
       (resid     5 and name     C) (resid     6 and name     N)  1.00  -40.00 20.00 2

!!Thr6

ASSIGN (resid     5 and name     C) (resid     6 and name     N)
       (resid     6 and name    CA) (resid     6 and name     C)  1.00  -63.00 20.00 2
ASSIGN (resid     6 and name     N) (resid     6 and name    CA)
       (resid     6 and name     C) (resid     7 and name     N)  1.00  -43.00 20.00 2

!!Phe7

ASSIGN (resid     6 and name     C) (resid     7 and name     N)
       (resid     7 and name    CA) (resid     7 and name     C)  1.00  -61.00 20.00 2
ASSIGN (resid     7 and name     N) (resid     7 and name    CA)
       (resid     7 and name     C) (resid     8 and name     N)  1.00  -44.00 20.00 2

!!Gln8

ASSIGN (resid     7 and name     C) (resid     8 and name     N)
       (resid     8 and name    CA) (resid     8 and name     C)  1.00  -61.00 20.00 2
ASSIGN (resid     8 and name     N) (resid     8 and name    CA)
       (resid     8 and name     C) (resid     9 and name     N)  1.00  -44.00 20.00 2

!!Lys9

ASSIGN (resid     8 and name     C) (resid     9 and name     N)
       (resid     9 and name    CA) (resid     9 and name     C)  1.00  -66.00 20.00 2
ASSIGN (resid     9 and name     N) (resid     9 and name    CA)
       (resid     9 and name     C) (resid    10 and name     N)  1.00  -32.00 20.00 2

!!Lys10

!!NHs 10&87 overlaped
!!Talos:
ASSIGN (resid     9 and name     C) (resid    10 and name     N)
       (resid    10 and name    CA) (resid    10 and name     C)  1.00  -69.00 20.00 2
ASSIGN (resid    10 and name     N) (resid    10 and name    CA)
       (resid    10 and name     C) (resid    11 and name     N)  1.00  -30.00 20.00 2

!!His11

!!HNHA J=11.41:
ASSIGN (resid    10 and name     C) (resid    11 and name     N)
       (resid    11 and name    CA) (resid    11 and name     C)  1.00 -120.00 30.00 2
!!Talos:
!!ASSIGN (resid    10 and name     C) (resid    11 and name     N)
!!       (resid    11 and name    CA) (resid    11 and name     C)  1.00  -91.00 36.00 2
!!ASSIGN (resid    11 and name     N) (resid    11 and name    CA)
!!       (resid    11 and name     C) (resid    12 and name     N)  1.00  145.00 30.00 2

!!Ile12

ASSIGN (resid    11 and name     C) (resid    12 and name     N)
       (resid    12 and name    CA) (resid    12 and name     C)  1.00 -121.00 20.00 2
ASSIGN (resid    12 and name     N) (resid    12 and name    CA)
       (resid    12 and name     C) (resid    13 and name     N)  1.00  125.00 20.00 2

!!Thr13

ASSIGN (resid    12 and name     C) (resid    13 and name     N)
       (resid    13 and name    CA) (resid    13 and name     C)  1.00 -116.00 20.00 2
ASSIGN (resid    13 and name     N) (resid    13 and name    CA)
       (resid    13 and name     C) (resid    14 and name     N)  1.00  145.00 20.00 2

!!Asn14
!!HNHA J=9.05:
ASSIGN (resid    13 and name     C) (resid    14 and name     N)
       (resid    14 and name    CA) (resid    14 and name     C)  1.00 -140.00 30.00 2
!!HNHA (J=9.05)&Talos:
!!ASSIGN (resid    13 and name     C) (resid    14 and name     N)
!!       (resid    14 and name    CA) (resid    14 and name     C)  1.00 -100.00 20.00 2
!!ASSIGN (resid    14 and name     N) (resid    14 and name    CA)
!!       (resid    14 and name     C) (resid    15 and name     N)  1.00  133.00 20.00 2

!!Thr15

!!HNHA J=9.94:
ASSIGN (resid    14 and name     C) (resid    15 and name     N)
       (resid    15 and name    CA) (resid    15 and name     C)  1.00 -120.00 20.00 2
!!Talos:
!!ASSIGN (resid    14 and name     C) (resid    15 and name     N)
!!       (resid    15 and name    CA) (resid    15 and name     C)  1.00 -101.00 30.00 2
ASSIGN (resid    15 and name     N) (resid    15 and name    CA)
       (resid    15 and name     C) (resid    16 and name     N)  1.00  142.00 30.00 2

!!Arg16
!!HNHA J=5.18:
ASSIGN (resid    15 and name     C) (resid    16 and name     N)
       (resid    16 and name    CA) (resid    16 and name     C)  1.00  -70.00 30.00 2
!!Talos:
!!ASSIGN (resid    15 and name     C) (resid    16 and name     N)
!!       (resid    16 and name    CA) (resid    16 and name     C)  1.00  -69.00 30.00 2
!!ASSIGN (resid    16 and name     N) (resid    16 and name    CA)
!!       (resid    16 and name     C) (resid    17 and name     N)  1.00  134.00 30.00 2

!!Asp17

!!HNHA(J=8.67)&Talos:
ASSIGN (resid    16 and name     C) (resid    17 and name     N)
       (resid    17 and name    CA) (resid    17 and name     C)  1.00 -91.00 30.00 2


!!Val18

!!HNHA(J=4.92)
ASSIGN (resid    17 and name     C) (resid    18 and name     N)
       (resid    18 and name    CA) (resid    18 and name     C)  1.00  -60.00 30.00 2
!!Talos:
!!ASSIGN (resid    17 and name     C) (resid    18 and name     N)
!!       (resid    18 and name    CA) (resid    18 and name     C)  1.00  -85.00 30.00 2
!!ASSIGN (resid    18 and name     N) (resid    18 and name    CA)
!!       (resid    18 and name     C) (resid    19 and name     N)  1.00  128.00 38.00 2

!!Asp19

!!HNHA(J=7.23)
ASSIGN (resid    18 and name     C) (resid    19 and name     N)
       (resid    19 and name    CA) (resid    19 and name     C)  1.00  -80.00 30.00 2
!!Talos:
!!ASSIGN (resid    18 and name     C) (resid    19 and name     N)
!!       (resid    19 and name    CA) (resid    19 and name     C)  1.00 -110.00 30.00 2
!!ASSIGN (resid    19 and name     N) (resid    19 and name    CA)
!!       (resid    19 and name     C) (resid    20 and name     N)  1.00  134.00 38.00 2

!!Cys20

!!HNHA J=1.5:
ASSIGN (resid    19 and name     C) (resid    20 and name     N)
       (resid    20 and name    CA) (resid    20 and name     C)  1.00  -20.00 30.00 2
!!Talos:
!!ASSIGN (resid    19 and name     C) (resid    20 and name     N)
!!       (resid    20 and name    CA) (resid    20 and name     C)  1.00  -66.00 30.00 2
!!ASSIGN (resid    20 and name     N) (resid    20 and name    CA)
!!       (resid    20 and name     C) (resid    21 and name     N)  1.00  -31.00 30.00 2

!!Asp21

!!HNHA J=2.04:
ASSIGN (resid    20 and name     C) (resid    21 and name     N)
       (resid    21 and name    CA) (resid    21 and name     C)  1.00  -40.00 30.00 2
!!Talos:
!!ASSIGN (resid    20 and name     C) (resid    21 and name     N)
!!       (resid    21 and name    CA) (resid    21 and name     C)  1.00  -69.00 30.00 2
!!ASSIGN (resid    21 and name     N) (resid    21 and name    CA)
!!       (resid    21 and name     C) (resid    22 and name     N)  1.00  -34.00 30.00 2

!!Asn22

!!HNHA J=9.01:
ASSIGN (resid    21 and name     C) (resid    22 and name     N)
       (resid    22 and name    CA) (resid    22 and name     C)  1.00  -100.00 30.00 2
!!Talos:
!!ASSIGN (resid    21 and name     C) (resid    22 and name     N)
!!       (resid    22 and name    CA) (resid    22 and name     C)  1.00  -67.00 30.00 2
!!ASSIGN (resid    22 and name     N) (resid    22 and name    CA)
!!       (resid    22 and name     C) (resid    23 and name     N)  1.00  -39.00 30.00 2

!!Ile23

!!HNHA J=6.94:
ASSIGN (resid    22 and name     C) (resid    23 and name     N)
       (resid    23 and name    CA) (resid    23 and name     C)  1.00  -80.00 30.00 2
!!Talos:
!!ASSIGN (resid    22 and name     C) (resid    23 and name     N)
!!       (resid    23 and name    CA) (resid    23 and name     C)  1.00  -64.00 30.00 2
!!ASSIGN (resid    23 and name     N) (resid    23 and name    CA)
!!       (resid    23 and name     C) (resid    24 and name     N)  1.00  -36.00 30.00 2

!!Leu24
!!HNHA(5.16) but HNs of 24&46 overlaped
!!Talos:
ASSIGN (resid    23 and name     C) (resid    24 and name     N)
       (resid    24 and name    CA) (resid    24 and name     C)  1.00  -62.00 30.00 2
ASSIGN (resid    24 and name     N) (resid    24 and name    CA)
       (resid    24 and name     C) (resid    25 and name     N)  1.00  -33.00 30.00 2

!!Ser25

!!HNHA (J=8.39)&Talos:
ASSIGN (resid    24 and name     C) (resid    25 and name     N)
       (resid    25 and name    CA) (resid    25 and name     C)  1.00  -92.00 20.00 2
ASSIGN (resid    25 and name     N) (resid    25 and name    CA)
       (resid    25 and name     C) (resid    26 and name     N)  1.00  -11.00 20.00 2

!!Thr26

!!HNHA J=8.02:
ASSIGN (resid    25 and name     C) (resid    26 and name     N)
       (resid    26 and name    CA) (resid    26 and name     C)  1.00  -90.00 20.00 2
!!Talos:
!!ASSIGN (resid    25 and name     C) (resid    26 and name     N)
!!       (resid    26 and name    CA) (resid    26 and name     C)  1.00  -99.00 30.00 2
!!ASSIGN (resid    26 and name     N) (resid    26 and name    CA)
!!       (resid    26 and name     C) (resid    27 and name     N)  1.00  159.00 30.00 2

!!Asn27

!!Leu28
!!HNHA(J=5.48) but HNs of 28&98 overlaped
!!Talos:
ASSIGN (resid    27 and name     C) (resid    28 and name     N)
       (resid    28 and name    CA) (resid    28 and name     C)  1.00  -82.00 30.00 2
ASSIGN (resid    28 and name     N) (resid    28 and name    CA)
       (resid    28 and name     C) (resid    29 and name     N)  1.00  -23.00 30.00 2

!!Phe29

!!HNHA(J=10.45) but HN overlaped with sidechain:
ASSIGN (resid    28 and name     C) (resid    29 and name     N)
       (resid    29 and name    CA) (resid    29 and name     C)  1.00 -120.00 20.00 2

!!His30, set to 60 on 2002.06.06

!!HNHA J=6.22:
ASSIGN (resid    29 and name     C) (resid    30 and name     N)
       (resid    30 and name    CA) (resid    30 and name     C)  1.00  60.00 30.00 2

!!Cys31

!!HNHA(J=5.68), set to 60 on 2002.06.10
ASSIGN (resid    30 and name     C) (resid    31 and name     N)
       (resid    31 and name    CA) (resid    31 and name     C)  1.00   60.00 30.00 2
!!Talos:
!!ASSIGN (resid    30 and name     C) (resid    31 and name     N)
!!       (resid    31 and name    CA) (resid    31 and name     C)  1.00   85.00 30.00 2
!!ASSIGN (resid    31 and name     N) (resid    31 and name    CA)
!!       (resid    31 and name     C) (resid    32 and name     N)  1.00   10.00 30.00 2

!!Lys32

!!HNHA(J=2.49) but HN overlaped with sidechain:
ASSIGN (resid    31 and name     C) (resid    32 and name     N)
       (resid    32 and name    CA) (resid    32 and name     C)  1.00  -45.00 30.00 2

!!Asp33

!!HNHA J=2.17:
ASSIGN (resid    32 and name     C) (resid    33 and name     N)
       (resid    33 and name    CA) (resid    33 and name     C)  1.00  -40.00 30.00 2
!!Talos:
!!ASSIGN (resid    32 and name     C) (resid    33 and name     N)
!!       (resid    33 and name    CA) (resid    33 and name     C)  1.00  -80.00 30.00 2
!!ASSIGN (resid    33 and name     N) (resid    33 and name    CA)
!!       (resid    33 and name     C) (resid    34 and name     N)  1.00  -33.00 30.00 2

!!Lys34

!!HNHA J=8.81:
ASSIGN (resid    33 and name     C) (resid    34 and name     N)
       (resid    34 and name    CA) (resid    34 and name     C)  1.00 -140.00 30.00 2
!!Talos:
!!ASSIGN (resid    33 and name     C) (resid    34 and name     N)
!!       (resid    34 and name    CA) (resid    34 and name     C)  1.00 -109.00 30.00 2
!!ASSIGN (resid    34 and name     N) (resid    34 and name    CA)
!!       (resid    34 and name     C) (resid    35 and name     N)  1.00  144.00 30.00 2

!!Asn35

!!HNHA J=6.78:
ASSIGN (resid    34 and name     C) (resid    35 and name     N)
       (resid    35 and name    CA) (resid    35 and name     C)  1.00 -160.00 20.00 2
!!Talos:
!!ASSIGN (resid    34 and name     C) (resid    35 and name     N)
!!       (resid    35 and name    CA) (resid    35 and name     C)  1.00 -121.00 32.00 2
ASSIGN (resid    35 and name     N) (resid    35 and name    CA)
       (resid    35 and name     C) (resid    36 and name     N)  1.00  125.00 20.00 2

!!Thr36

ASSIGN (resid    35 and name     C) (resid    36 and name     N)
       (resid    36 and name    CA) (resid    36 and name     C)  1.00 -103.00 20.00 2
ASSIGN (resid    36 and name     N) (resid    36 and name    CA)
       (resid    36 and name     C) (resid    37 and name     N)  1.00  125.00 20.00 2

!!Phe37

ASSIGN (resid    36 and name     C) (resid    37 and name     N)
       (resid    37 and name    CA) (resid    37 and name     C)  1.00 -107.00 20.00 2
ASSIGN (resid    37 and name     N) (resid    37 and name    CA)
       (resid    37 and name     C) (resid    38 and name     N)  1.00  145.00 20.00 2

!!Ile38

ASSIGN (resid    37 and name     C) (resid    38 and name     N)
       (resid    38 and name    CA) (resid    38 and name     C)  1.00 -108.00 20.00 2
ASSIGN (resid    38 and name     N) (resid    38 and name    CA)
       (resid    38 and name     C) (resid    39 and name     N)  1.00  125.00 20.00 2

!!Tyr39

!!HNHA J=6.84:
ASSIGN (resid    38 and name     C) (resid    39 and name     N)
       (resid    39 and name    CA) (resid    39 and name     C)  1.00  -80.00 30.00 2
!!Talos:
!!ASSIGN (resid    38 and name     C) (resid    39 and name     N)
!!       (resid    39 and name    CA) (resid    39 and name     C)  1.00 -107.00 30.00 2
!!ASSIGN (resid    39 and name     N) (resid    39 and name    CA)
!!       (resid    39 and name     C) (resid    40 and name     N)  1.00  122.00 30.00 2

!!Ser40

!!HNHA J=6.83:
ASSIGN (resid    39 and name     C) (resid    40 and name     N)
       (resid    40 and name    CA) (resid    40 and name     C)  1.00 -160.00 20.00 2
!!Talos:
!!ASSIGN (resid    39 and name     C) (resid    40 and name     N)
!!       (resid    40 and name    CA) (resid    40 and name     C)  1.00 -110.00 30.00 2
!!ASSIGN (resid    40 and name     N) (resid    40 and name    CA)
!!       (resid    40 and name     C) (resid    41 and name     N)  1.00  125.00 30.00 2

!!Arg41

!!HNHA J=5.94:
ASSIGN (resid    40 and name     C) (resid    41 and name     N)
       (resid    41 and name    CA) (resid    41 and name     C)  1.00  -80.00 20.00 2
!!Talos:
!!ASSIGN (resid    40 and name     C) (resid    41 and name     N)
!!       (resid    41 and name    CA) (resid    41 and name     C)  1.00  -82.00 30.00 2
!!ASSIGN (resid    41 and name     N) (resid    41 and name    CA)
!!       (resid    41 and name     C) (resid    42 and name     N)  1.00  160.00 30.00 2

!! Revised by Vitaliy Gorbatyuk on 2002.08.22
!!Pro42

!!ASSIGN (resid    41 and name     C) (resid    42 and name     N)
!!       (resid    42 and name    CA) (resid    42 and name     C)  1.00  -65.00 20.00 2
ASSIGN (resid    42 and name     N) (resid    42 and name    CA)
       (resid    42 and name     C) (resid    43 and name     N)  1.00  -38.00 20.00 2

!!Glu43

ASSIGN (resid    42 and name     C) (resid    43 and name     N)
       (resid    43 and name    CA) (resid    43 and name     C)  1.00  -60.00 20.00 2
ASSIGN (resid    43 and name     N) (resid    43 and name    CA)
       (resid    43 and name     C) (resid    44 and name     N)  1.00  -40.00 20.00 2

!!Pro44

!!ASSIGN (resid    43 and name     C) (resid    44 and name     N)
!!       (resid    44 and name    CA) (resid    44 and name     C)  1.00  -64.00 20.00 2
ASSIGN (resid    44 and name     N) (resid    44 and name    CA)
       (resid    44 and name     C) (resid    45 and name     N)  1.00  -35.00 20.00 2
!!End of revision

!!Val45

!!HNHA J=9.6:
ASSIGN (resid    44 and name     C) (resid    45 and name     N)
       (resid    45 and name    CA) (resid    45 and name     C)  1.00 -120.00 30.00 2
!!Talos:
!!ASSIGN (resid    44 and name     C) (resid    45 and name     N)
!!       (resid    45 and name    CA) (resid    45 and name     C)  1.00  -66.00 40.00 2
!!ASSIGN (resid    45 and name     N) (resid    45 and name    CA)
!!       (resid    45 and name     C) (resid    46 and name     N)  1.00  -42.00 30.00 2

!!Lys46

!!HNHA J=3.52 but HNs of 24&46 overlaped
!!Talos:
ASSIGN (resid    45 and name     C) (resid    46 and name     N)
       (resid    46 and name    CA) (resid    46 and name     C)  1.00  -58.00 20.00 2
ASSIGN (resid    46 and name     N) (resid    46 and name    CA)
       (resid    46 and name     C) (resid    47 and name     N)  1.00  -43.00 20.00 2

!!Ala47

!!HNHA (J=3.05)&Talos:
ASSIGN (resid    46 and name     C) (resid    47 and name     N)
       (resid    47 and name    CA) (resid    47 and name     C)  1.00  -63.00 20.00 2
ASSIGN (resid    47 and name     N) (resid    47 and name    CA)
       (resid    47 and name     C) (resid    48 and name     N)  1.00  -33.00 20.00 2

!!Ile48

!!HNHA (J=4.02)&Talos:
ASSIGN (resid    47 and name     C) (resid    48 and name     N)
       (resid    48 and name    CA) (resid    48 and name     C)  1.00  -79.00 20.00 2
ASSIGN (resid    48 and name     N) (resid    48 and name    CA)
       (resid    48 and name     C) (resid    49 and name     N)  1.00  -32.00 20.00 2

!!Cys49

!!HNHA J=10.05:
ASSIGN (resid    48 and name     C) (resid    49 and name     N)
       (resid    49 and name    CA) (resid    49 and name     C)  1.00 -120.00 20.00 2

!!Talos:
!!ASSIGN (resid    48 and name     C) (resid    49 and name     N)
!!       (resid    49 and name    CA) (resid    49 and name     C)  1.00 -134.00 30.00 2
!!ASSIGN (resid    49 and name     N) (resid    49 and name    CA)
!!       (resid    49 and name     C) (resid    50 and name     N)  1.00  147.00 30.00 2

!!Lys50

!!HNHA J=2.17:
ASSIGN (resid    49 and name     C) (resid    50 and name     N)
       (resid    50 and name    CA) (resid    50 and name     C)  1.00  -40.00 20.00 2

!!Gly51

ASSIGN (resid    50 and name     C) (resid    51 and name     N)
       (resid    51 and name    CA) (resid    51 and name     C)  1.00   87.00 30.00 2
ASSIGN (resid    51 and name     N) (resid    51 and name    CA)
       (resid    51 and name     C) (resid    52 and name     N)  1.00   -7.00 30.00 2

!!Ile52

!!HNHA J=9.4:
ASSIGN (resid    51 and name     C) (resid    52 and name     N)
       (resid    52 and name    CA) (resid    52 and name     C)  1.00 -120.00 30.00 2
!!Talos:
!!ASSIGN (resid    51 and name     C) (resid    52 and name     N)
!!       (resid    52 and name    CA) (resid    52 and name     C)  1.00  -90.00 30.00 2
ASSIGN (resid    52 and name     N) (resid    52 and name    CA)
       (resid    52 and name     C) (resid    53 and name     N)  1.00  125.00 30.00 2

!!Ile53

!!HNHA J=9.19:
ASSIGN (resid    52 and name     C) (resid    53 and name     N)
       (resid    53 and name    CA) (resid    53 and name     C)  1.00 -110.00 30.00 2
!!Talos:
!!ASSIGN (resid    52 and name     C) (resid    53 and name     N)
!!       (resid    53 and name    CA) (resid    53 and name     C)  1.00  -87.00 30.00 2
!!ASSIGN (resid    53 and name     N) (resid    53 and name    CA)
!!       (resid    53 and name     C) (resid    54 and name     N)  1.00  129.00 30.00 2

!!Ala54
!!NHs of 54&74 overlaped

!!Ser55

!!HNHA J=1.71:
ASSIGN (resid    54 and name     C) (resid    55 and name     N)
       (resid    55 and name    CA) (resid    55 and name     C)  1.00  -20.00 30.00 2

!!Lys56

!!HNHA J=7.48:
ASSIGN (resid    55 and name     C) (resid    56 and name     N)
       (resid    56 and name    CA) (resid    56 and name     C)  1.00 -150.00 20.00 2
!!Talos:
!!ASSIGN (resid    55 and name     C) (resid    56 and name     N)
!!       (resid    56 and name    CA) (resid    56 and name     C)  1.00 -117.00 30.00 2
ASSIGN (resid    56 and name     N) (resid    56 and name    CA)
       (resid    56 and name     C) (resid    57 and name     N)  1.00  126.00 20.00 2

!!Asn57

!!HNHA J=7.0:
ASSIGN (resid    56 and name     C) (resid    57 and name     N)
       (resid    57 and name    CA) (resid    57 and name     C)  1.00  -80.00 20.00 2
!!Talos:
!!ASSIGN (resid    56 and name     C) (resid    57 and name     N)
!!       (resid    57 and name    CA) (resid    57 and name     C)  1.00 -102.00 30.00 2
ASSIGN (resid    57 and name     N) (resid    57 and name    CA)
       (resid    57 and name     C) (resid    58 and name     N)  1.00  128.00 20.00 2

!!Val58

!!HNHA (J=9.06)&Talos:
ASSIGN (resid    57 and name     C) (resid    58 and name     N)
       (resid    58 and name    CA) (resid    58 and name     C)  1.00 -121.00 20.00 2
ASSIGN (resid    58 and name     N) (resid    58 and name    CA)
       (resid    58 and name     C) (resid    59 and name     N)  1.00  137.00 20.00 2

!!Leu59

!!HNHA (J=8.92)&Talos:
ASSIGN (resid    58 and name     C) (resid    59 and name     N)
       (resid    59 and name    CA) (resid    59 and name     C)  1.00 -101.00 20.00 2
ASSIGN (resid    59 and name     N) (resid    59 and name    CA)
       (resid    59 and name     C) (resid    60 and name     N)  1.00  122.00 20.00 2

!!Thr60

!!HNHA J=3.35 but NHs of 60&90 overlaped
ASSIGN (resid    59 and name     C) (resid    60 and name     N)
       (resid    60 and name    CA) (resid    60 and name     C)  1.00  -60.00 30.00 2
!!Talos:
!!ASSIGN (resid    59 and name     C) (resid    60 and name     N)
!!       (resid    60 and name    CA) (resid    60 and name     C)  1.00  -76.00 30.00 2
!!ASSIGN (resid    60 and name     N) (resid    60 and name    CA)
!!       (resid    60 and name     C) (resid    61 and name     N)  1.00  -22.00 30.00 2

!!Thr61

!!HNHA J=6.73:
ASSIGN (resid    60 and name     C) (resid    61 and name     N)
       (resid    61 and name    CA) (resid    61 and name     C)  1.00  -80.00 30.00 2
       
!!Ser62

!!HNHA J=9.92:
ASSIGN (resid    61 and name     C) (resid    62 and name     N)
       (resid    62 and name    CA) (resid    62 and name     C)  1.00 -120.00 20.00 2
!!Talos:
!!ASSIGN (resid    61 and name     C) (resid    62 and name     N)
!!       (resid    62 and name    CA) (resid    62 and name     C)  1.00 -101.00 39.00 2
!!ASSIGN (resid    62 and name     N) (resid    62 and name    CA)
!!       (resid    62 and name     C) (resid    63 and name     N)  1.00  159.00 30.00 2

!!Glu63

!!HNHA (J=8.28)&Talos:
ASSIGN (resid    62 and name     C) (resid    63 and name     N)
       (resid    63 and name    CA) (resid    63 and name     C)  1.00  -89.00 30.00 2
ASSIGN (resid    63 and name     N) (resid    63 and name    CA)
       (resid    63 and name     C) (resid    64 and name     N)  1.00  120.00 30.00 2

!!Phe64

!!HNHA (J=9.04)&Talos:
ASSIGN (resid    63 and name     C) (resid    64 and name     N)
       (resid    64 and name    CA) (resid    64 and name     C)  1.00 -115.00 20.00 2
ASSIGN (resid    64 and name     N) (resid    64 and name    CA)
       (resid    64 and name     C) (resid    65 and name     N)  1.00  145.00 20.00 2

!!Tyr65

!!HNHA (J=6.14)&Talos:
ASSIGN (resid    64 and name     C) (resid    65 and name     N)
       (resid    65 and name    CA) (resid    65 and name     C)  1.00 -103.00 30.00 2
ASSIGN (resid    65 and name     N) (resid    65 and name    CA)
       (resid    65 and name     C) (resid    66 and name     N)  1.00  130.00 30.00 2

!!Leu66

!!HNHA (J=8.34)&Talos:
ASSIGN (resid    65 and name     C) (resid    66 and name     N)
       (resid    66 and name    CA) (resid    66 and name     C)  1.00 -111.00 20.00 2
ASSIGN (resid    66 and name     N) (resid    66 and name    CA)
       (resid    66 and name     C) (resid    67 and name     N)  1.00  131.00 20.00 2

!!Ser67

!!HNHA J=6.81:
ASSIGN (resid    66 and name     C) (resid    67 and name     N)
       (resid    67 and name    CA) (resid    67 and name     C)  1.00 -160.00 30.00 2
!!Talos:
!!ASSIGN (resid    66 and name     C) (resid    67 and name     N)
!!       (resid    67 and name    CA) (resid    67 and name     C)  1.00 -121.00 30.00 2
ASSIGN (resid    67 and name     N) (resid    67 and name    CA)
       (resid    67 and name     C) (resid    68 and name     N)  1.00  142.00 30.00 2

!!Asp68

!!HNHA J=7.96:
ASSIGN (resid    67 and name     C) (resid    68 and name     N)
       (resid    68 and name    CA) (resid    68 and name     C)  1.00  -90.00 30.00 2
!!Talos:
!!ASSIGN (resid    67 and name     C) (resid    68 and name     N)
!!       (resid    68 and name    CA) (resid    68 and name     C)  1.00 -116.00 30.00 2
ASSIGN (resid    68 and name     N) (resid    68 and name    CA)
       (resid    68 and name     C) (resid    69 and name     N)  1.00  136.00 30.00 2

!!Cys69

!!HNHA (J=9.14)&Talos:
ASSIGN (resid    68 and name     C) (resid    69 and name     N)
       (resid    69 and name    CA) (resid    69 and name     C)  1.00 -121.00 30.00 2
ASSIGN (resid    69 and name     N) (resid    69 and name    CA)
       (resid    69 and name     C) (resid    70 and name     N)  1.00  151.00 30.00 2

!!Asn70

!!HNHA (J=9.75)&Talos:
ASSIGN (resid    69 and name     C) (resid    70 and name     N)
       (resid    70 and name    CA) (resid    70 and name     C)  1.00 -115.00 30.00 2
ASSIGN (resid    70 and name     N) (resid    70 and name    CA)
       (resid    70 and name     C) (resid    71 and name     N)  1.00  128.00 30.00 2

!!Val71

!!HNHA J=2.77:
ASSIGN (resid    70 and name     C) (resid    71 and name     N)
       (resid    71 and name    CA) (resid    71 and name     C)  1.00  -50.00 30.00 2
!!Talos:
!!ASSIGN (resid    70 and name     C) (resid    71 and name     N)
!!       (resid    71 and name    CA) (resid    71 and name     C)  1.00  -89.00 30.00 2
ASSIGN (resid    71 and name     N) (resid    71 and name    CA)
       (resid    71 and name     C) (resid    72 and name     N)  1.00  134.00 30.00 2

!!Thr72

!!HNHA (J=9.81)&Talos:
ASSIGN (resid    71 and name     C) (resid    72 and name     N)
       (resid    72 and name    CA) (resid    72 and name     C)  1.00 -119.00 45.00 2
!!ASSIGN (resid    72 and name     N) (resid    72 and name    CA)
!!       (resid    72 and name     C) (resid    73 and name     N)  1.00  149.00 31.00 2

!!Ser73

!!HNHA J=4.64:
ASSIGN (resid    72 and name     C) (resid    73 and name     N)
       (resid    73 and name    CA) (resid    73 and name     C)  1.00  -75.00 30.00 2

!!Arg74

!!NHs of 54&74 overlaped
!!Talos:
!!ASSIGN (resid    73 and name     C) (resid    74 and name     N)
!!       (resid    74 and name    CA) (resid    74 and name     C)  1.00 -117.00 30.00 2
!!ASSIGN (resid    74 and name     N) (resid    74 and name    CA)
!!       (resid    74 and name     C) (resid    75 and name     N)  1.00  124.00 36.00 2

!!Pro75

!!Cys76

!!HNHA (J=6.47)&Talos:
ASSIGN (resid    75 and name     C) (resid    76 and name     N)
       (resid    76 and name    CA) (resid    76 and name     C)  1.00   81.00 30.00 2
ASSIGN (resid    76 and name     N) (resid    76 and name    CA)
       (resid    76 and name     C) (resid    77 and name     N)  1.00    9.00 30.00 2

!!Lys77

!!HNHA J=11.03:
ASSIGN (resid    76 and name     C) (resid    77 and name     N)
       (resid    77 and name    CA) (resid    77 and name     C)  1.00 -120.00 20.00 2
!!Talos:
!!ASSIGN (resid    76 and name     C) (resid    77 and name     N)
!!       (resid    77 and name    CA) (resid    77 and name     C)  1.00 -105.00 30.00 2
ASSIGN (resid    77 and name     N) (resid    77 and name    CA)
       (resid    77 and name     C) (resid    78 and name     N)  1.00  151.00 30.00 2

!!Tyr78

!!HNHA J=8.38
ASSIGN (resid    77 and name     C) (resid    78 and name     N)
       (resid    78 and name    CA) (resid    78 and name     C)  1.00 -140.00 30.00 2
!!Talos:
!!ASSIGN (resid    77 and name     C) (resid    78 and name     N)
!!       (resid    78 and name    CA) (resid    78 and name     C)  1.00  -93.00 30.00 2
!!ASSIGN (resid    78 and name     N) (resid    78 and name    CA)
!!       (resid    78 and name     C) (resid    79 and name     N)  1.00  135.00 30.00 2

!!Lys79

!!HNHA (J=9.74)&Talos:
ASSIGN (resid    78 and name     C) (resid    79 and name     N)
       (resid    79 and name    CA) (resid    79 and name     C)  1.00 -130.00 30.00 2
ASSIGN (resid    79 and name     N) (resid    79 and name    CA)
       (resid    79 and name     C) (resid    80 and name     N)  1.00  134.00 30.00 2

!!Leu80

!!HNHA (J=7.71)&Talos:
ASSIGN (resid    79 and name     C) (resid    80 and name     N)
       (resid    80 and name    CA) (resid    80 and name     C)  1.00 -109.00 30.00 2
ASSIGN (resid    80 and name     N) (resid    80 and name    CA)
       (resid    80 and name     C) (resid    81 and name     N)  1.00  124.00 30.00 2

!!Lys81

!!HNHA J=7.38:
ASSIGN (resid    80 and name     C) (resid    81 and name     N)
       (resid    81 and name    CA) (resid    81 and name     C)  1.00 -160.00 30.00 2
!!Talos:
!!ASSIGN (resid    80 and name     C) (resid    81 and name     N)
!!       (resid    81 and name    CA) (resid    81 and name     C)  1.00 -119.00 30.00 2
ASSIGN (resid    81 and name     N) (resid    81 and name    CA)
       (resid    81 and name     C) (resid    82 and name     N)  1.00  134.00 30.00 2

!!Lys82

!!HNHA (J=8.02)&Talos:
ASSIGN (resid    81 and name     C) (resid    82 and name     N)
       (resid    82 and name    CA) (resid    82 and name     C)  1.00 -105.00 20.00 2
ASSIGN (resid    82 and name     N) (resid    82 and name    CA)
       (resid    82 and name     C) (resid    83 and name     N)  1.00  137.00 20.00 2

!!Ser83

!!HNHA J=6.6:
ASSIGN (resid    82 and name     C) (resid    83 and name     N)
       (resid    83 and name    CA) (resid    83 and name     C)  1.00 -160.00 20.00 2

!!Talos:
!!ASSIGN (resid    82 and name     C) (resid    83 and name     N)
!!       (resid    83 and name    CA) (resid    83 and name     C)  1.00 -134.00 30.00 2
ASSIGN (resid    83 and name     N) (resid    83 and name    CA)
       (resid    83 and name     C) (resid    84 and name     N)  1.00  144.00 30.00 2

!!Thr84

!!HNHA (J=9.99)&Talos:
ASSIGN (resid    83 and name     C) (resid    84 and name     N)
       (resid    84 and name    CA) (resid    84 and name     C)  1.00 -117.00 20.00 2
ASSIGN (resid    84 and name     N) (resid    84 and name    CA)
       (resid    84 and name     C) (resid    85 and name     N)  1.00  134.00 20.00 2

!!Asn85

!!HNHA J=5.03:
ASSIGN (resid    84 and name     C) (resid    85 and name     N)
       (resid    85 and name    CA) (resid    85 and name     C)  1.00 -160.00 20.00 2
!!Talos
!!ASSIGN (resid    84 and name     C) (resid    85 and name     N)
!!       (resid    85 and name    CA) (resid    85 and name     C)  1.00 -124.00 30.00 2
ASSIGN (resid    85 and name     N) (resid    85 and name    CA)
       (resid    85 and name     C) (resid    86 and name     N)  1.00  154.00 30.00 2

!!Lys86

!!HNHA (J=7.71)&Talos:
ASSIGN (resid    85 and name     C) (resid    86 and name     N)
       (resid    86 and name    CA) (resid    86 and name     C)  1.00 -103.00 30.00 2
ASSIGN (resid    86 and name     N) (resid    86 and name    CA)
       (resid    86 and name     C) (resid    87 and name     N)  1.00  144.00 30.00 2

!!Phe87

!!HNHA J=6.35 but NHs 10&87 overlaped
ASSIGN (resid    86 and name     C) (resid    87 and name     N)
       (resid    87 and name    CA) (resid    87 and name     C)  1.00 -160.00 20.00 2
!!Talos:
!!ASSIGN (resid    86 and name     C) (resid    87 and name     N)
!!       (resid    87 and name    CA) (resid    87 and name     C)  1.00 -123.00 30.00 2
ASSIGN (resid    87 and name     N) (resid    87 and name    CA)
       (resid    87 and name     C) (resid    88 and name     N)  1.00  167.00 30.00 2

!!Cys88

!!HNHA J=8.97:
ASSIGN (resid    87 and name     C) (resid    88 and name     N)
       (resid    88 and name    CA) (resid    88 and name     C)  1.00 -100.00 30.00 2

!!Val89

!!HNHA (J=9.37)&Talos:
ASSIGN (resid    88 and name     C) (resid    89 and name     N)
       (resid    89 and name    CA) (resid    89 and name     C)  1.00 -128.00 30.00 2
ASSIGN (resid    89 and name     N) (resid    89 and name    CA)
       (resid    89 and name     C) (resid    90 and name     N)  1.00  143.00 30.00 2

!!Thr90

!!NHs of 60&90 overlaped
!!Talos:
ASSIGN (resid    89 and name     C) (resid    90 and name     N)
       (resid    90 and name    CA) (resid    90 and name     C)  1.00  -99.00 20.00 2
ASSIGN (resid    90 and name     N) (resid    90 and name    CA)
       (resid    90 and name     C) (resid    91 and name     N)  1.00  129.00 20.00 2

!!Cys91

!!HNHA J=8.42:
ASSIGN (resid    90 and name     C) (resid    91 and name     N)
       (resid    91 and name    CA) (resid    91 and name     C)  1.00 -100.00 30.00 2
!!Talos:
!!ASSIGN (resid    90 and name     C) (resid    91 and name     N)
!!       (resid    91 and name    CA) (resid    91 and name     C)  1.00 -129.00 30.00 2
ASSIGN (resid    91 and name     N) (resid    91 and name    CA)
       (resid    91 and name     C) (resid    92 and name     N)  1.00  149.00 30.00 2

!!Glu92

!!HNHA J=7.22:
ASSIGN (resid    91 and name     C) (resid    92 and name     N)
       (resid    92 and name    CA) (resid    92 and name     C)  1.00 -160.00 20.00 2
!!Talos:
!!ASSIGN (resid    91 and name     C) (resid    92 and name     N)
!!       (resid    92 and name    CA) (resid    92 and name     C)  1.00  -90.00 30.00 2
ASSIGN (resid    92 and name     N) (resid    92 and name    CA)
       (resid    92 and name     C) (resid    93 and name     N)  1.00  131.00 30.00 2

!!Asn93

!!HNHA J=5.17:
ASSIGN (resid    92 and name     C) (resid    93 and name     N)
       (resid    93 and name    CA) (resid    93 and name     C)  1.00   60.00 40.00 2

!!Gln94

!!HNHA J=6.66:
ASSIGN (resid    93 and name     C) (resid    94 and name     N)
       (resid    94 and name    CA) (resid    94 and name     C)  1.00   60.00 20.00 2


!!Ala95

!!HNHA J=8.82:
ASSIGN (resid    94 and name     C) (resid    95 and name     N)
       (resid    95 and name    CA) (resid    95 and name     C)  1.00 -140.00 30.00 2
!!Talos
!!ASSIGN (resid    94 and name     C) (resid    95 and name     N)
!!       (resid    95 and name    CA) (resid    95 and name     C)  1.00 -127.00 30.00 2
ASSIGN (resid    95 and name     N) (resid    95 and name    CA)
       (resid    95 and name     C) (resid    96 and name     N)  1.00  131.00 31.00 2


!!Val97
!!HNHA J=10.72:
ASSIGN (resid    96 and name     C) (resid    97 and name     N)
       (resid    97 and name    CA) (resid    97 and name     C)  1.00 -120.00 30.00 2
!!HNHA (J=10.72)&Talos:
!!ASSIGN (resid    96 and name     C) (resid    97 and name     N)
!!       (resid    97 and name    CA) (resid    97 and name     C)  1.00 -118.00 20.00 2
!!ASSIGN (resid    97 and name     N) (resid    97 and name    CA)
!!       (resid    97 and name     C) (resid    98 and name     N)  1.00  154.00 20.00 2


!!His98

!!HNs of 28&98 overlaped
!!Talos:
ASSIGN (resid    97 and name     C) (resid    98 and name     N)
       (resid    98 and name    CA) (resid    98 and name     C)  1.00 -112.00 30.00 2
ASSIGN (resid    98 and name     N) (resid    98 and name    CA)
       (resid    98 and name     C) (resid    99 and name     N)  1.00  128.00 30.00 2

!!Phe99

!!Talos:
ASSIGN (resid    98 and name     C) (resid    99 and name     N)
       (resid    99 and name    CA) (resid    99 and name     C)  1.00  -92.00 20.00 2
ASSIGN (resid    99 and name     N) (resid    99 and name    CA)
       (resid    99 and name     C) (resid   100 and name     N)  1.00  127.00 20.00 2

!!Val100
!!HNHA J=9.49:
ASSIGN (resid    99 and name     C) (resid   100 and name     N)
       (resid   100 and name    CA) (resid   100 and name     C)  1.00 -120.00 40.00 2

!!Gly101

!!Val102

!!HNHA (J=8.59)&Talos:
ASSIGN (resid   101 and name     C) (resid   102 and name     N)
       (resid   102 and name    CA) (resid   102 and name     C)  1.00  -87.00 20.00 2
ASSIGN (resid   102 and name     N) (resid   102 and name    CA)
       (resid   102 and name     C) (resid   103 and name     N)  1.00  135.00 20.00 2

!!Gly103

!!ASSIGN (resid   102 and name     C) (resid   103 and name     N)
!!       (resid   103 and name    CA) (resid   103 and name     C)  1.00   86.00 30.00 2
!!ASSIGN (resid   103 and name     N) (resid   103 and name    CA)
!!       (resid   103 and name     C) (resid   104 and name     N)  1.00   -1.00 30.00 2

!!Ser104
!!HNHA J=7.87:
ASSIGN (resid   103 and name     C) (resid   104 and name     N)
       (resid   104 and name    CA) (resid   104 and name     C)  1.00 -160.00 20.00 2
       
!!Cys105
!!HNHA J=9.19:
ASSIGN (resid   104 and name     C) (resid   105 and name     N)
       (resid   105 and name    CA) (resid   105 and name     C)  1.00 -110.00 20.00 2


!unambiguous data:
 ASSI { 2495}
   (( segid "    " and resid 2    and name HE21))
   (( segid "    " and resid 2    and name HG2 ))
      3.600     1.600     1.600 peak  2495 spectrum    1 weight  0.11000E+01 volume  0.43982E-03 ppm1      7.515 ppm2      2.437 CV     1
 OR { 2495}
   (( segid "    " and resid 2    and name HE21))
   (( segid "    " and resid 2    and name HG3 ))
 ASSI { 2508}
   (( segid "    " and resid 2    and name HE22))
   (( segid "    " and resid 2    and name HG2 ))
      4.000     2.000     2.000 peak  2508 spectrum    1 weight  0.11000E+01 volume  0.22458E-03 ppm1      6.826 ppm2      2.412 CV     1
 OR { 2508}
   (( segid "    " and resid 2    and name HE22))
   (( segid "    " and resid 2    and name HG3 ))
 ASSI {  261}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak   261 spectrum    1 weight  0.11000E+01 volume  0.37380E-03 ppm1      7.921 ppm2      8.912 CV     1
 ASSI { 1879}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak  1879 spectrum    1 weight  0.11000E+01 volume  0.84511E-02 ppm1      7.921 ppm2      4.646 CV     1
 ASSI { 2080}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.800     1.000     1.000 peak  2080 spectrum    1 weight  0.11000E+01 volume  0.17624E-02 ppm1      7.921 ppm2      4.316 CV     1
 ASSI { 2348}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.300     1.300 peak  2348 spectrum    1 weight  0.11000E+01 volume  0.73041E-03 ppm1      7.921 ppm2      3.148 CV     1
 ASSI { 2409}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.200     1.300     1.300 peak  2409 spectrum    1 weight  0.11000E+01 volume  0.83377E-03 ppm1      7.921 ppm2      2.869 CV     1
 ASSI { 2558}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.000     1.100     1.100 peak  2558 spectrum    1 weight  0.11000E+01 volume  0.11716E-02 ppm1      7.921 ppm2      2.183 CV     1
 ASSI { 2882}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 97   and name HG1%)
      3.800     1.900     1.900 peak  2882 spectrum    1 weight  0.11000E+01 volume  0.27529E-03 ppm1      7.921 ppm2      0.990 CV     1
 ASSI { 1869}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 8    and name HE22))
      3.800     1.800     1.800 peak  1869 spectrum    1 weight  0.11000E+01 volume  0.28316E-03 ppm1     10.254 ppm2      4.671 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      4.000     2.000     2.000 peak   449 spectrum    1 weight  0.11000E+01 volume  0.20380E-03 ppm1      8.919 ppm2      8.480 CV     1
 ASSI { 1833}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak  1833 spectrum    1 weight  0.11000E+01 volume  0.43680E-02 ppm1      8.914 ppm2      4.824 CV     1
 ASSI { 2254}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.100     2.100     1.900 peak  2254 spectrum    1 weight  0.11000E+01 volume  0.20154E-03 ppm1      8.914 ppm2      3.681 CV     1
 ASSI { 2312}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.800     0.800 peak  2312 spectrum    1 weight  0.11000E+01 volume  0.31754E-02 ppm1      8.914 ppm2      3.351 CV     1
 ASSI { 2344}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.300     2.300     3.700 peak  2344 spectrum    1 weight  0.11000E+01 volume  0.67888E-02 ppm1      8.914 ppm2      3.148 CV     1
 ASSI { 2568}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 97   and name HB  ))
      3.900     1.900     1.900 peak  2568 spectrum    1 weight  0.11000E+01 volume  0.23711E-03 ppm1      8.914 ppm2      2.158 CV     1
 ASSI { 2920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 95   and name HB% )
      3.300     3.300     2.700 peak  2920 spectrum    1 weight  0.11000E+01 volume  0.69184E-03 ppm1      8.914 ppm2      0.888 CV     1
 ASSI {  263}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   263 spectrum    1 weight  0.11000E+01 volume  0.25404E-02 ppm1      8.053 ppm2      8.912 CV     1
 ASSI {  635}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.400     1.500     1.500 peak   635 spectrum    1 weight  0.11000E+01 volume  0.53466E-03 ppm1      8.053 ppm2      8.251 CV     1
 ASSI { 1717}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.600     1.600 peak  1717 spectrum    1 weight  0.11000E+01 volume  0.46282E-03 ppm1      8.053 ppm2      5.458 CV     1
 ASSI { 1834}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak  1834 spectrum    1 weight  0.11000E+01 volume  0.26139E-03 ppm1      8.053 ppm2      4.824 CV     1
 ASSI { 2243}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  2243 spectrum    1 weight  0.11000E+01 volume  0.33004E-02 ppm1      8.053 ppm2      3.706 CV     1
 ASSI { 2341}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB3 ))
      2.600     0.900     0.900 peak  2341 spectrum    1 weight  0.11000E+01 volume  0.26617E-02 ppm1      8.053 ppm2      3.173 CV     1
 ASSI { 2410}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HB3 ))
      3.800     1.800     1.800 peak  2410 spectrum    1 weight  0.11000E+01 volume  0.27758E-03 ppm1      8.053 ppm2      2.869 CV     1
 ASSI { 2672}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     2.400     3.600 peak  2672 spectrum    1 weight  0.11000E+01 volume  0.53207E-02 ppm1      8.053 ppm2      1.726 CV     1
 ASSI { 2718}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.500     0.800     0.800 peak  2718 spectrum    1 weight  0.11000E+01 volume  0.40930E-02 ppm1      8.053 ppm2      1.574 CV     1
 ASSI { 2926}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.300     1.400     1.400 peak  2926 spectrum    1 weight  0.11000E+01 volume  0.67029E-03 ppm1      8.053 ppm2      0.863 CV     1
 ASSI {  252}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.000     2.000     2.000 peak   252 spectrum    1 weight  0.11000E+01 volume  0.21844E-03 ppm1      8.576 ppm2      8.912 CV     1
 ASSI {  732}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   732 spectrum    1 weight  0.11000E+01 volume  0.30254E-02 ppm1      8.576 ppm2      8.048 CV     1
 ASSI {  782}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.300     1.400     1.400 peak   782 spectrum    1 weight  0.11000E+01 volume  0.69103E-03 ppm1      8.581 ppm2      7.947 CV     1
 ASSI { 1100}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak  1100 spectrum    1 weight  0.11000E+01 volume  0.18941E-03 ppm1      8.576 ppm2      7.515 CV     1
 ASSI { 2092}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.600     0.800     0.800 peak  2092 spectrum    1 weight  0.11000E+01 volume  0.29783E-02 ppm1      8.581 ppm2      4.316 CV     1
 ASSI { 2242}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak  2242 spectrum    1 weight  0.11000E+01 volume  0.38078E-02 ppm1      8.581 ppm2      3.706 CV     1
 ASSI { 2350}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.800     1.800     1.800 peak  2350 spectrum    1 weight  0.11000E+01 volume  0.32144E-03 ppm1      8.581 ppm2      3.148 CV     1
 ASSI { 2666}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.000     1.000 peak  2666 spectrum    1 weight  0.11000E+01 volume  0.15972E-02 ppm1      8.581 ppm2      1.726 CV     1
 ASSI { 2719}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB3 ))
      2.800     1.000     1.000 peak  2719 spectrum    1 weight  0.11000E+01 volume  0.19180E-02 ppm1      8.581 ppm2      1.574 CV     1
 ASSI { 2801}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.100     1.200     1.200 peak  2801 spectrum    1 weight  0.11000E+01 volume  0.10286E-02 ppm1      8.581 ppm2      1.269 CV     1
 ASSI {  429}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak   429 spectrum    1 weight  0.11000E+01 volume  0.31078E-02 ppm1      8.469 ppm2      8.556 CV     1
 ASSI {  622}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   622 spectrum    1 weight  0.11000E+01 volume  0.23372E-02 ppm1      8.469 ppm2      8.277 CV     1
 ASSI {  716}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.600     1.600     1.600 peak   716 spectrum    1 weight  0.11000E+01 volume  0.40015E-03 ppm1      8.474 ppm2      8.048 CV     1
 ASSI {  806}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.500     1.500 peak   806 spectrum    1 weight  0.11000E+01 volume  0.57153E-03 ppm1      8.469 ppm2      7.921 CV     1
 ASSI { 1111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak  1111 spectrum    1 weight  0.11000E+01 volume  0.24769E-03 ppm1      8.469 ppm2      7.515 CV     1
 ASSI { 1369}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      3.500     1.500     1.500 peak  1369 spectrum    1 weight  0.11000E+01 volume  0.49280E-03 ppm1      8.469 ppm2      7.058 CV     1
 ASSI { 2155}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  2155 spectrum    1 weight  0.11000E+01 volume  0.17952E-02 ppm1      8.469 ppm2      4.087 CV     1
 ASSI { 2260}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.400     0.700     0.700 peak  2260 spectrum    1 weight  0.11000E+01 volume  0.41776E-02 ppm1      8.469 ppm2      3.681 CV     1
 ASSI { 2345}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak  2345 spectrum    1 weight  0.11000E+01 volume  0.41049E-02 ppm1      8.469 ppm2      3.148 CV     1
 ASSI { 2797}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.100     1.200     1.200 peak  2797 spectrum    1 weight  0.11000E+01 volume  0.93581E-03 ppm1      8.469 ppm2      1.269 CV     1
 ASSI {   11}
   (( segid "    " and resid 8    and name HE21))
   (( segid "    " and resid 4    and name HE1 ))
      3.200     1.300     1.300 peak    11 spectrum    1 weight  0.11000E+01 volume  0.83041E-03 ppm1      6.547 ppm2     10.257 CV     1
 ASSI { 1867}
   (( segid "    " and resid 8    and name HE21))
   (( segid "    " and resid 8    and name HE22))
      1.800     0.400     0.400 peak  1867 spectrum    1 weight  0.11000E+01 volume  0.24298E-01 ppm1      6.547 ppm2      4.671 CV     1
 ASSI { 2658}
   (( segid "    " and resid 8    and name HE21))
   (( segid "    " and resid 8    and name HB2 ))
      3.800     1.800     1.800 peak  2658 spectrum    1 weight  0.11000E+01 volume  0.28106E-03 ppm1      6.552 ppm2      1.751 CV     1
 ASSI { 2700}
   (( segid "    " and resid 8    and name HE21))
   (( segid "    " and resid 8    and name HB3 ))
      3.600     1.700     1.700 peak  2700 spectrum    1 weight  0.11000E+01 volume  0.38066E-03 ppm1      6.547 ppm2      1.624 CV     1
 ASSI { 1108}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  1108 spectrum    1 weight  0.11000E+01 volume  0.25732E-02 ppm1      8.268 ppm2      7.515 CV     1
 ASSI { 1377}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 7    and name HD% )
      3.200     1.300     1.300 peak  1377 spectrum    1 weight  0.11000E+01 volume  0.77364E-03 ppm1      8.263 ppm2      7.058 CV     1
 ASSI { 1719}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.500     1.500     1.500 peak  1719 spectrum    1 weight  0.11000E+01 volume  0.47560E-03 ppm1      8.268 ppm2      5.458 CV     1
 ASSI { 1864}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HE22))
      3.800     1.800     1.800 peak  1864 spectrum    1 weight  0.11000E+01 volume  0.32133E-03 ppm1      8.263 ppm2      4.671 CV     1
 ASSI { 2689}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.600     0.800     0.800 peak  2689 spectrum    1 weight  0.11000E+01 volume  0.31107E-02 ppm1      8.268 ppm2      1.650 CV     1
 ASSI {  786}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak   786 spectrum    1 weight  0.11000E+01 volume  0.30343E-02 ppm1      7.506 ppm2      7.947 CV     1
 ASSI {  921}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.500     1.500 peak   921 spectrum    1 weight  0.11000E+01 volume  0.52513E-03 ppm1      7.501 ppm2      7.744 CV     1
 ASSI { 2160}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     3.900     2.100 peak  2160 spectrum    1 weight  0.11000E+01 volume  0.27009E-03 ppm1      7.510 ppm2      4.087 CV     1
 ASSI { 2241}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak  2241 spectrum    1 weight  0.11000E+01 volume  0.17015E-02 ppm1      7.506 ppm2      3.706 CV     1
 ASSI { 2639}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.300     0.700     0.700 peak  2639 spectrum    1 weight  0.11000E+01 volume  0.62155E-02 ppm1      7.506 ppm2      1.777 CV     1
 ASSI { 2681}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.600     2.600     3.400 peak  2681 spectrum    1 weight  0.11000E+01 volume  0.31797E-02 ppm1      7.510 ppm2      1.675 CV     1
 ASSI { 2730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD3 ))
      2.600     0.800     0.800 peak  2730 spectrum    1 weight  0.11000E+01 volume  0.30607E-02 ppm1      7.506 ppm2      1.548 CV     1
 OR { 2730}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  606}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     1.300     1.300 peak   606 spectrum    1 weight  0.11000E+01 volume  0.76159E-03 ppm1      7.946 ppm2      8.277 CV     1
 ASSI { 1236}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      4.100     2.100     1.900 peak  1236 spectrum    1 weight  0.11000E+01 volume  0.19298E-03 ppm1      7.941 ppm2      7.287 CV     1
 ASSI { 2152}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak  2152 spectrum    1 weight  0.11000E+01 volume  0.25178E-02 ppm1      7.946 ppm2      4.087 CV     1
 ASSI { 2634}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  2634 spectrum    1 weight  0.11000E+01 volume  0.21868E-02 ppm1      7.946 ppm2      1.777 CV     1
 ASSI { 2792}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak  2792 spectrum    1 weight  0.11000E+01 volume  0.37814E-02 ppm1      7.946 ppm2      1.294 CV     1
 ASSI {  604}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.11000E+01 volume  0.42219E-02 ppm1      7.760 ppm2      8.277 CV     1
 ASSI {  792}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak   792 spectrum    1 weight  0.11000E+01 volume  0.25103E-02 ppm1      7.760 ppm2      7.947 CV     1
 ASSI { 2157}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.300     1.300 peak  2157 spectrum    1 weight  0.11000E+01 volume  0.74673E-03 ppm1      7.760 ppm2      4.087 CV     1
 ASSI { 2293}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak  2293 spectrum    1 weight  0.11000E+01 volume  0.49883E-03 ppm1      7.765 ppm2      3.529 CV     1
 ASSI { 2562}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      4.100     2.100     1.900 peak  2562 spectrum    1 weight  0.11000E+01 volume  0.19484E-03 ppm1      7.755 ppm2      2.183 CV     1
 ASSI { 2628}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.800     1.000     1.000 peak  2628 spectrum    1 weight  0.11000E+01 volume  0.17062E-02 ppm1      7.760 ppm2      1.777 CV     1
 ASSI { 2785}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak  2785 spectrum    1 weight  0.11000E+01 volume  0.83916E-03 ppm1      7.760 ppm2      1.294 CV     1
 ASSI { 2889}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.800     1.800     1.800 peak  2889 spectrum    1 weight  0.11000E+01 volume  0.28849E-03 ppm1      7.765 ppm2      0.964 CV     1
 ASSI { 2031}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     3.900     2.100 peak  2031 spectrum    1 weight  0.11000E+01 volume  0.24734E-03 ppm1      8.268 ppm2      4.544 CV     1
 ASSI { 2287}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.200     1.200 peak  2287 spectrum    1 weight  0.11000E+01 volume  0.11233E-02 ppm1      8.268 ppm2      3.529 CV     1
 ASSI { 2553}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      2.600     0.800     0.800 peak  2553 spectrum    1 weight  0.11000E+01 volume  0.32601E-02 ppm1      8.268 ppm2      2.208 CV     1
 ASSI { 2640}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.500     1.500     1.500 peak  2640 spectrum    1 weight  0.11000E+01 volume  0.48804E-03 ppm1      8.268 ppm2      1.777 CV     1
 ASSI { 2694}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG12))
      3.100     1.200     1.200 peak  2694 spectrum    1 weight  0.11000E+01 volume  0.10831E-02 ppm1      8.268 ppm2      1.624 CV     1
 ASSI { 2789}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG13))
      3.200     1.200     1.200 peak  2789 spectrum    1 weight  0.11000E+01 volume  0.91058E-03 ppm1      8.278 ppm2      1.294 CV     1
 ASSI {   77}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     1.600     1.600 peak    77 spectrum    1 weight  0.11000E+01 volume  0.40526E-03 ppm1      8.581 ppm2      9.369 CV     1
 ASSI {  630}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   630 spectrum    1 weight  0.11000E+01 volume  0.32111E-03 ppm1      8.576 ppm2      8.251 CV     1
 ASSI { 2850}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      2.300     0.600     0.600 peak  2850 spectrum    1 weight  0.11000E+01 volume  0.64911E-02 ppm1      8.581 ppm2      1.040 CV     1
 ASSI {  637}
   (( segid "    " and resid 14   and name HD21))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   637 spectrum    1 weight  0.11000E+01 volume  0.19664E-03 ppm1      7.481 ppm2      8.226 CV     1
 ASSI { 2419}
   (( segid "    " and resid 14   and name HD21))
   (( segid "    " and resid 14   and name HB3 ))
      3.200     1.300     1.300 peak  2419 spectrum    1 weight  0.11000E+01 volume  0.77494E-03 ppm1      7.471 ppm2      2.818 CV     1
 ASSI { 2367}
   (( segid "    " and resid 14   and name HD22))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak  2367 spectrum    1 weight  0.11000E+01 volume  0.69659E-03 ppm1      6.753 ppm2      3.021 CV     1
 ASSI { 2259}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.400     1.400     1.400 peak  2259 spectrum    1 weight  0.11000E+01 volume  0.62943E-03 ppm1      8.249 ppm2      3.681 CV     1
 ASSI { 2867}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HG2%)
      3.300     1.400     1.400 peak  2867 spectrum    1 weight  0.11000E+01 volume  0.65990E-03 ppm1      8.254 ppm2      1.040 CV     1
 ASSI { 2953}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.600     1.600     1.600 peak  2953 spectrum    1 weight  0.11000E+01 volume  0.44412E-03 ppm1      8.249 ppm2      0.812 CV     1
 ASSI {  458}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   458 spectrum    1 weight  0.11000E+01 volume  0.19622E-03 ppm1      7.907 ppm2      8.455 CV     1
 ASSI {  633}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   633 spectrum    1 weight  0.11000E+01 volume  0.39079E-02 ppm1      7.911 ppm2      8.251 CV     1
 ASSI { 1142}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HD21))
      3.800     1.800     1.800 peak  1142 spectrum    1 weight  0.11000E+01 volume  0.28617E-03 ppm1      7.911 ppm2      7.490 CV     1
 ASSI { 1447}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.300     1.400     1.400 peak  1447 spectrum    1 weight  0.11000E+01 volume  0.70308E-03 ppm1      7.916 ppm2      6.906 CV     1
 ASSI { 2261}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      3.500     1.500     1.500 peak  2261 spectrum    1 weight  0.11000E+01 volume  0.48409E-03 ppm1      7.916 ppm2      3.681 CV     1
 ASSI { 2370}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.800     1.800     1.800 peak  2370 spectrum    1 weight  0.11000E+01 volume  0.28381E-03 ppm1      7.907 ppm2      3.021 CV     1
 ASSI { 2424}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.800     1.800     1.800 peak  2424 spectrum    1 weight  0.11000E+01 volume  0.27970E-03 ppm1      7.907 ppm2      2.818 CV     1
 ASSI { 2284}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HA  ))
      4.000     4.000     2.000 peak  2284 spectrum    1 weight  0.11000E+01 volume  0.20678E-03 ppm1      7.031 ppm2      3.554 CV     1
 ASSI { 2377}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 65   and name HB3 ))
      3.900     1.900     1.900 peak  2377 spectrum    1 weight  0.11000E+01 volume  0.25319E-03 ppm1      7.026 ppm2      2.996 CV     1
 ASSI { 2774}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.600     1.600     1.600 peak  2774 spectrum    1 weight  0.11000E+01 volume  0.41957E-03 ppm1      7.022 ppm2      1.345 CV     1
 ASSI { 2898}
   (( segid "    " and resid 16   and name HE  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.400     1.500     1.500 peak  2898 spectrum    1 weight  0.11000E+01 volume  0.56677E-03 ppm1      7.026 ppm2      0.939 CV     1
 ASSI { 2630}
   (( segid "    " and resid 16   and name HH22))
   (( segid "    " and resid 82   and name HB3 ))
      3.900     1.900     1.900 peak  2630 spectrum    1 weight  0.11000E+01 volume  0.23770E-03 ppm1      6.826 ppm2      1.777 CV     1
 OR { 2630}
   (( segid "    " and resid 16   and name HH21))
   (( segid "    " and resid 82   and name HB3 ))
 OR { 2630}
   (( segid "    " and resid 16   and name HH11))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  826}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   826 spectrum    1 weight  0.11000E+01 volume  0.35228E-02 ppm1      8.440 ppm2      7.871 CV     1
 ASSI { 1452}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.800     1.800     1.800 peak  1452 spectrum    1 weight  0.11000E+01 volume  0.30139E-03 ppm1      8.440 ppm2      6.880 CV     1
 ASSI { 2203}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.600     1.600     1.600 peak  2203 spectrum    1 weight  0.11000E+01 volume  0.41630E-03 ppm1      8.440 ppm2      3.910 CV     1
 ASSI { 2437}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD2 ))
      3.700     1.700     1.700 peak  2437 spectrum    1 weight  0.11000E+01 volume  0.36339E-03 ppm1      8.444 ppm2      2.716 CV     1
 OR { 2437}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI { 2776}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.900     1.000     1.000 peak  2776 spectrum    1 weight  0.11000E+01 volume  0.15124E-02 ppm1      8.440 ppm2      1.345 CV     1
 ASSI { 2944}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.000     1.100     1.100 peak  2944 spectrum    1 weight  0.11000E+01 volume  0.12897E-02 ppm1      8.440 ppm2      0.812 CV     1
 ASSI { 2013}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     2.700     3.300 peak  2013 spectrum    1 weight  0.11000E+01 volume  0.25215E-02 ppm1      7.872 ppm2      4.595 CV     1
 ASSI { 2055}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.500     1.500 peak  2055 spectrum    1 weight  0.11000E+01 volume  0.49674E-03 ppm1      7.867 ppm2      4.443 CV     1
 ASSI { 2190}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      3.700     3.700     2.300 peak  2190 spectrum    1 weight  0.11000E+01 volume  0.32996E-03 ppm1      7.867 ppm2      3.935 CV     1
 ASSI { 2294}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     1.500     1.500 peak  2294 spectrum    1 weight  0.11000E+01 volume  0.52384E-03 ppm1      7.872 ppm2      3.529 CV     1
 ASSI { 2775}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak  2775 spectrum    1 weight  0.11000E+01 volume  0.13593E-02 ppm1      7.872 ppm2      1.345 CV     1
 ASSI { 2902}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      3.100     1.200     1.200 peak  2902 spectrum    1 weight  0.11000E+01 volume  0.10309E-02 ppm1      7.867 ppm2      0.939 CV     1
 ASSI { 2950}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      2.900     1.000     1.000 peak  2950 spectrum    1 weight  0.11000E+01 volume  0.16180E-02 ppm1      7.867 ppm2      0.812 CV     1
 ASSI { 3040}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      4.100     2.100     1.900 peak  3040 spectrum    1 weight  0.11000E+01 volume  0.19543E-03 ppm1      7.867 ppm2      0.380 CV     1
 ASSI {  433}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   433 spectrum    1 weight  0.11000E+01 volume  0.43215E-03 ppm1      6.508 ppm2      8.505 CV     1
 ASSI {  835}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   835 spectrum    1 weight  0.11000E+01 volume  0.62690E-03 ppm1      6.508 ppm2      7.871 CV     1
 ASSI { 2026}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     0.600     0.600 peak  2026 spectrum    1 weight  0.11000E+01 volume  0.81226E-02 ppm1      6.508 ppm2      4.570 CV     1
 ASSI { 2201}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.700     1.700     1.700 peak  2201 spectrum    1 weight  0.11000E+01 volume  0.35479E-03 ppm1      6.508 ppm2      3.910 CV     1
 ASSI { 2252}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.900     1.900     1.900 peak  2252 spectrum    1 weight  0.11000E+01 volume  0.25703E-03 ppm1      6.508 ppm2      3.681 CV     1
 ASSI { 2347}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak  2347 spectrum    1 weight  0.11000E+01 volume  0.30951E-02 ppm1      6.508 ppm2      3.148 CV     1
 ASSI { 2786}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB  ))
      2.400     0.700     0.700 peak  2786 spectrum    1 weight  0.11000E+01 volume  0.47996E-02 ppm1      6.508 ppm2      1.294 CV     1
 ASSI { 2852}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      2.500     0.800     0.800 peak  2852 spectrum    1 weight  0.11000E+01 volume  0.33106E-02 ppm1      6.508 ppm2      1.040 CV     1
 ASSI { 2951}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.300     1.400     1.400 peak  2951 spectrum    1 weight  0.11000E+01 volume  0.66611E-03 ppm1      6.513 ppm2      0.812 CV     1
 ASSI { 3042}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      2.200     0.600     0.600 peak  3042 spectrum    1 weight  0.11000E+01 volume  0.69360E-02 ppm1      6.508 ppm2      0.380 CV     1
 ASSI { 1974}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.900     0.900 peak  1974 spectrum    1 weight  0.11000E+01 volume  0.21000E-02 ppm1      8.493 ppm2      4.621 CV     1
 ASSI { 2353}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak  2353 spectrum    1 weight  0.11000E+01 volume  0.12530E-01 ppm1      8.488 ppm2      3.148 CV     1
 ASSI { 2406}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak  2406 spectrum    1 weight  0.11000E+01 volume  0.38882E-02 ppm1      8.488 ppm2      2.869 CV     1
 ASSI { 2499}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.500     0.800     0.800 peak  2499 spectrum    1 weight  0.11000E+01 volume  0.38342E-02 ppm1      8.488 ppm2      2.437 CV     1
 ASSI { 2956}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      3.600     1.600     1.600 peak  2956 spectrum    1 weight  0.11000E+01 volume  0.41938E-03 ppm1      8.493 ppm2      0.787 CV     1
 ASSI { 3041}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.300     1.300     1.300 peak  3041 spectrum    1 weight  0.11000E+01 volume  0.71381E-03 ppm1      8.488 ppm2      0.380 CV     1
 ASSI {  353}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     0.900     0.900 peak   353 spectrum    1 weight  0.11000E+01 volume  0.20659E-02 ppm1      7.819 ppm2      8.658 CV     1
 ASSI {  435}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak   435 spectrum    1 weight  0.11000E+01 volume  0.59952E-03 ppm1      7.819 ppm2      8.505 CV     1
 ASSI { 1909}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.600     0.600 peak  1909 spectrum    1 weight  0.11000E+01 volume  0.10472E-01 ppm1      7.819 ppm2      4.621 CV     1
 ASSI { 2283}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak  2283 spectrum    1 weight  0.11000E+01 volume  0.37453E-02 ppm1      7.819 ppm2      3.554 CV     1
 ASSI { 2349}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak  2349 spectrum    1 weight  0.11000E+01 volume  0.26578E-03 ppm1      7.819 ppm2      3.148 CV     1
 ASSI { 2385}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.600     0.800     0.800 peak  2385 spectrum    1 weight  0.11000E+01 volume  0.32175E-02 ppm1      7.819 ppm2      2.970 CV     1
 ASSI { 2453}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.600     1.600     1.600 peak  2453 spectrum    1 weight  0.11000E+01 volume  0.39756E-03 ppm1      7.819 ppm2      2.640 CV     1
 OR { 2453}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 2503}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.300     1.400     1.400 peak  2503 spectrum    1 weight  0.11000E+01 volume  0.64578E-03 ppm1      7.819 ppm2      2.437 CV     1
 ASSI { 2520}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.900     1.100     1.100 peak  2520 spectrum    1 weight  0.11000E+01 volume  0.14809E-02 ppm1      7.819 ppm2      2.310 CV     1
 ASSI { 2864}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      4.000     2.000     2.000 peak  2864 spectrum    1 weight  0.11000E+01 volume  0.21874E-03 ppm1      7.814 ppm2      1.040 CV     1
 ASSI { 2905}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      3.900     1.900     1.900 peak  2905 spectrum    1 weight  0.11000E+01 volume  0.27421E-03 ppm1      7.814 ppm2      0.939 CV     1
 ASSI { 3038}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG1%)
      3.900     1.900     1.900 peak  3038 spectrum    1 weight  0.11000E+01 volume  0.27080E-03 ppm1      7.819 ppm2      0.380 CV     1
 ASSI { 3059}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 18   and name HG2%)
      2.700     0.900     0.900 peak  3059 spectrum    1 weight  0.11000E+01 volume  0.25235E-02 ppm1      7.814 ppm2     -0.051 CV     1
 ASSI {  965}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak   965 spectrum    1 weight  0.11000E+01 volume  0.36106E-03 ppm1      8.640 ppm2      7.718 CV     1
 ASSI { 1326}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak  1326 spectrum    1 weight  0.11000E+01 volume  0.25272E-02 ppm1      8.640 ppm2      7.134 CV     1
 ASSI { 1929}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.400     1.400 peak  1929 spectrum    1 weight  0.11000E+01 volume  0.58954E-03 ppm1      8.640 ppm2      4.621 CV     1
 ASSI { 2065}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.900     1.000     1.000 peak  2065 spectrum    1 weight  0.11000E+01 volume  0.15871E-02 ppm1      8.640 ppm2      4.341 CV     1
 ASSI { 2386}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.600     0.900     0.900 peak  2386 spectrum    1 weight  0.11000E+01 volume  0.26060E-02 ppm1      8.640 ppm2      2.970 CV     1
 ASSI { 2427}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.100     1.100 peak  2427 spectrum    1 weight  0.11000E+01 volume  0.13942E-02 ppm1      8.645 ppm2      2.818 CV     1
 ASSI { 2450}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.500     0.800     0.800 peak  2450 spectrum    1 weight  0.11000E+01 volume  0.36716E-02 ppm1      8.640 ppm2      2.665 CV     1
 ASSI { 2497}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.900     1.900     1.900 peak  2497 spectrum    1 weight  0.11000E+01 volume  0.27345E-03 ppm1      8.645 ppm2      2.437 CV     1
 ASSI { 2472}
   (( segid "    " and resid 22   and name HD21))
   (( segid "    " and resid 22   and name HB3 ))
      3.000     1.100     1.100 peak  2472 spectrum    1 weight  0.11000E+01 volume  0.12501E-02 ppm1      8.254 ppm2      2.564 CV     1
 ASSI { 2486}
   (( segid "    " and resid 22   and name HD21))
   (( segid "    " and resid 19   and name HB3 ))
      3.600     3.600     2.400 peak  2486 spectrum    1 weight  0.11000E+01 volume  0.40845E-03 ppm1      8.259 ppm2      2.462 CV     1
 ASSI { 2473}
   (( segid "    " and resid 22   and name HD22))
   (( segid "    " and resid 22   and name HB3 ))
      3.100     1.200     1.200 peak  2473 spectrum    1 weight  0.11000E+01 volume  0.10548E-02 ppm1      6.787 ppm2      2.564 CV     1
 ASSI {  512}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   512 spectrum    1 weight  0.11000E+01 volume  0.33325E-03 ppm1      7.124 ppm2      8.404 CV     1
 ASSI {  634}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HD21))
      4.000     2.000     2.000 peak   634 spectrum    1 weight  0.11000E+01 volume  0.23249E-03 ppm1      7.129 ppm2      8.251 CV     1
 ASSI {  963}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.11000E+01 volume  0.48558E-02 ppm1      7.124 ppm2      7.718 CV     1
 ASSI { 1893}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak  1893 spectrum    1 weight  0.11000E+01 volume  0.32230E-02 ppm1      7.119 ppm2      4.621 CV     1
 ASSI { 2074}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.400     1.400 peak  2074 spectrum    1 weight  0.11000E+01 volume  0.58722E-03 ppm1      7.124 ppm2      4.341 CV     1
 ASSI { 2474}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.300     0.700     0.700 peak  2474 spectrum    1 weight  0.11000E+01 volume  0.54827E-02 ppm1      7.124 ppm2      2.564 CV     1
 ASSI { 2772}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.400     1.400     1.400 peak  2772 spectrum    1 weight  0.11000E+01 volume  0.61692E-03 ppm1      7.129 ppm2      1.371 CV     1
 ASSI {  509}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.34058E-02 ppm1      7.721 ppm2      8.404 CV     1
 ASSI { 1381}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.600     1.600 peak  1381 spectrum    1 weight  0.11000E+01 volume  0.45215E-03 ppm1      7.721 ppm2      7.033 CV     1
 ASSI { 1928}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak  1928 spectrum    1 weight  0.11000E+01 volume  0.84785E-03 ppm1      7.721 ppm2      4.621 CV     1
 ASSI { 2181}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  2181 spectrum    1 weight  0.11000E+01 volume  0.21513E-02 ppm1      7.721 ppm2      3.986 CV     1
 ASSI { 2289}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak  2289 spectrum    1 weight  0.11000E+01 volume  0.52671E-03 ppm1      7.721 ppm2      3.529 CV     1
 ASSI { 2411}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.900     1.900     1.900 peak  2411 spectrum    1 weight  0.11000E+01 volume  0.25331E-03 ppm1      7.716 ppm2      2.869 CV     1
 ASSI { 2469}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak  2469 spectrum    1 weight  0.11000E+01 volume  0.23366E-02 ppm1      7.721 ppm2      2.589 CV     1
 ASSI { 2736}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.400     1.500     1.500 peak  2736 spectrum    1 weight  0.11000E+01 volume  0.54907E-03 ppm1      7.721 ppm2      1.497 CV     1
 ASSI { 2767}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG12))
      2.200     0.600     0.600 peak  2767 spectrum    1 weight  0.11000E+01 volume  0.85552E-02 ppm1      7.721 ppm2      1.371 CV     1
 ASSI { 2999}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     1.000     1.000 peak  2999 spectrum    1 weight  0.11000E+01 volume  0.16998E-02 ppm1      7.721 ppm2      0.685 CV     1
 ASSI { 3055}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 24   and name HD2%)
      3.700     1.700     1.700 peak  3055 spectrum    1 weight  0.11000E+01 volume  0.37300E-03 ppm1      7.721 ppm2     -0.051 CV     1
 ASSI { 1390}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak  1390 spectrum    1 weight  0.11000E+01 volume  0.23565E-02 ppm1      8.396 ppm2      7.007 CV     1
 ASSI { 1912}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     1.700     1.700 peak  1912 spectrum    1 weight  0.11000E+01 volume  0.33271E-03 ppm1      8.391 ppm2      4.621 CV     1
 ASSI { 2186}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.500     1.500     1.500 peak  2186 spectrum    1 weight  0.11000E+01 volume  0.49659E-03 ppm1      8.396 ppm2      3.960 CV     1
 ASSI { 2292}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.600     1.600 peak  2292 spectrum    1 weight  0.11000E+01 volume  0.45715E-03 ppm1      8.396 ppm2      3.529 CV     1
 ASSI { 3007}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     1.000     1.000 peak  3007 spectrum    1 weight  0.11000E+01 volume  0.16977E-02 ppm1      8.396 ppm2      0.660 CV     1
 ASSI { 1849}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1849 spectrum    1 weight  0.11000E+01 volume  0.16578E-02 ppm1      7.007 ppm2      4.722 CV     1
 ASSI { 1965}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak  1965 spectrum    1 weight  0.11000E+01 volume  0.25600E-02 ppm1      7.007 ppm2      4.621 CV     1
 ASSI { 2174}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.000     4.000     2.000 peak  2174 spectrum    1 weight  0.11000E+01 volume  0.20779E-03 ppm1      7.017 ppm2      3.986 CV     1
 ASSI { 2742}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.000     1.100     1.100 peak  2742 spectrum    1 weight  0.11000E+01 volume  0.12850E-02 ppm1      7.007 ppm2      1.472 CV     1
 OR { 2742}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  173}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.000     2.000     2.000 peak   173 spectrum    1 weight  0.11000E+01 volume  0.20950E-03 ppm1      7.408 ppm2      9.089 CV     1
 ASSI {  203}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   203 spectrum    1 weight  0.11000E+01 volume  0.36237E-03 ppm1      7.418 ppm2      8.988 CV     1
 ASSI {  506}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     1.900     1.900 peak   506 spectrum    1 weight  0.11000E+01 volume  0.23785E-03 ppm1      7.418 ppm2      8.404 CV     1
 ASSI { 1389}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak  1389 spectrum    1 weight  0.11000E+01 volume  0.36761E-02 ppm1      7.413 ppm2      7.007 CV     1
 ASSI { 1852}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1852 spectrum    1 weight  0.11000E+01 volume  0.12493E-02 ppm1      7.418 ppm2      4.722 CV     1
 ASSI { 2240}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.400     1.400 peak  2240 spectrum    1 weight  0.11000E+01 volume  0.58622E-03 ppm1      7.413 ppm2      3.783 CV     1
 ASSI { 2379}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.500     1.500     1.500 peak  2379 spectrum    1 weight  0.11000E+01 volume  0.47401E-03 ppm1      7.413 ppm2      2.996 CV     1
 ASSI {  205}
   (( segid "    " and resid 27   and name HD22))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   205 spectrum    1 weight  0.11000E+01 volume  0.26961E-03 ppm1      6.889 ppm2      8.988 CV     1
 ASSI { 2423}
   (( segid "    " and resid 27   and name HD22))
   (( segid "    " and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  2423 spectrum    1 weight  0.11000E+01 volume  0.78642E-03 ppm1      6.889 ppm2      2.818 CV     1
 ASSI { 1221}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak  1221 spectrum    1 weight  0.11000E+01 volume  0.21426E-02 ppm1      8.987 ppm2      7.312 CV     1
 ASSI { 2037}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak  2037 spectrum    1 weight  0.11000E+01 volume  0.65897E-02 ppm1      8.987 ppm2      4.519 CV     1
 ASSI { 2417}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.400     0.700     0.700 peak  2417 spectrum    1 weight  0.11000E+01 volume  0.45817E-02 ppm1      8.987 ppm2      2.818 CV     1
 ASSI { 1102}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HD21))
      3.000     3.000     3.000 peak  1102 spectrum    1 weight  0.11000E+01 volume  0.11142E-02 ppm1      7.310 ppm2      7.515 CV     1
 ASSI { 1310}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HD2 ))
      2.900     2.900     3.100 peak  1310 spectrum    1 weight  0.11000E+01 volume  0.14548E-02 ppm1      7.315 ppm2      7.185 CV     1
 ASSI { 1370}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      2.800     2.800     3.200 peak  1370 spectrum    1 weight  0.11000E+01 volume  0.17752E-02 ppm1      7.305 ppm2      7.058 CV     1
 ASSI { 1416}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1416 spectrum    1 weight  0.11000E+01 volume  0.33610E-02 ppm1      7.305 ppm2      6.956 CV     1
 ASSI { 2219}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.500     0.800     0.800 peak  2219 spectrum    1 weight  0.11000E+01 volume  0.35652E-02 ppm1      7.305 ppm2      3.859 CV     1
 ASSI { 2381}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.800     1.800     1.800 peak  2381 spectrum    1 weight  0.11000E+01 volume  0.28769E-03 ppm1      7.305 ppm2      2.996 CV     1
 OR { 2381}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2422}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.000     1.100     1.100 peak  2422 spectrum    1 weight  0.11000E+01 volume  0.11667E-02 ppm1      7.305 ppm2      2.818 CV     1
 ASSI { 2740}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.700     1.700     1.700 peak  2740 spectrum    1 weight  0.11000E+01 volume  0.34766E-03 ppm1      7.305 ppm2      1.472 CV     1
 ASSI { 2807}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.700     0.700 peak  2807 spectrum    1 weight  0.11000E+01 volume  0.60538E-02 ppm1      7.305 ppm2      1.244 CV     1
 ASSI { 2887}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.400     0.700     0.700 peak  2887 spectrum    1 weight  0.11000E+01 volume  0.46510E-02 ppm1      7.305 ppm2      0.964 CV     1
 ASSI { 3016}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     3.500     2.500 peak  3016 spectrum    1 weight  0.11000E+01 volume  0.52161E-03 ppm1      7.305 ppm2      0.482 CV     1
 ASSI {  181}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.37232E-03 ppm1      6.933 ppm2      9.064 CV     1
 ASSI { 2094}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak  2094 spectrum    1 weight  0.11000E+01 volume  0.56740E-03 ppm1      6.948 ppm2      4.316 CV     1
 ASSI {  185}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak   185 spectrum    1 weight  0.11000E+01 volume  0.27838E-02 ppm1      8.982 ppm2      9.064 CV     1
 ASSI { 1228}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     1.600     1.600 peak  1228 spectrum    1 weight  0.11000E+01 volume  0.45385E-03 ppm1      8.977 ppm2      7.312 CV     1
 ASSI { 1383}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 29   and name HD% )
      3.100     1.200     1.200 peak  1383 spectrum    1 weight  0.11000E+01 volume  0.10881E-02 ppm1      8.977 ppm2      7.033 CV     1
 ASSI { 1417}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.200     0.600     0.600 peak  1417 spectrum    1 weight  0.11000E+01 volume  0.75521E-02 ppm1      8.977 ppm2      6.956 CV     1
 ASSI { 2180}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak  2180 spectrum    1 weight  0.11000E+01 volume  0.10117E-02 ppm1      8.977 ppm2      3.986 CV     1
 ASSI { 2376}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.100     1.100 peak  2376 spectrum    1 weight  0.11000E+01 volume  0.13686E-02 ppm1      8.977 ppm2      2.996 CV     1
 ASSI { 1471}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1471 spectrum    1 weight  0.11000E+01 volume  0.23310E-02 ppm1      9.070 ppm2      6.855 CV     1
 ASSI { 1850}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak  1850 spectrum    1 weight  0.11000E+01 volume  0.13548E-02 ppm1      9.070 ppm2      4.722 CV     1
 ASSI { 2057}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  2057 spectrum    1 weight  0.11000E+01 volume  0.71025E-02 ppm1      9.070 ppm2      4.417 CV     1
 ASSI { 2089}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak  2089 spectrum    1 weight  0.11000E+01 volume  0.28199E-02 ppm1      9.070 ppm2      4.316 CV     1
 ASSI { 2234}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak  2234 spectrum    1 weight  0.11000E+01 volume  0.32671E-03 ppm1      9.070 ppm2      3.783 CV     1
 ASSI { 2323}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  2323 spectrum    1 weight  0.11000E+01 volume  0.86190E-03 ppm1      9.070 ppm2      3.300 CV     1
 ASSI { 2375}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.000     1.200     1.200 peak  2375 spectrum    1 weight  0.11000E+01 volume  0.11462E-02 ppm1      9.070 ppm2      2.996 CV     1
 OR { 2375}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 2743}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.500     1.500     1.500 peak  2743 spectrum    1 weight  0.11000E+01 volume  0.48775E-03 ppm1      9.070 ppm2      1.472 CV     1
 ASSI { 2326}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HE3 ))
      3.700     1.700     1.700 peak  2326 spectrum    1 weight  0.11000E+01 volume  0.34149E-03 ppm1      6.841 ppm2      3.300 CV     1
 ASSI { 2373}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.900     1.100     1.100 peak  2373 spectrum    1 weight  0.11000E+01 volume  0.13724E-02 ppm1      6.841 ppm2      2.996 CV     1
 OR { 2373}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 2643}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.500     0.800     0.800 peak  2643 spectrum    1 weight  0.11000E+01 volume  0.36143E-02 ppm1      6.841 ppm2      1.751 CV     1
 ASSI { 2720}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     3.100     2.900 peak  2720 spectrum    1 weight  0.11000E+01 volume  0.99049E-03 ppm1      6.841 ppm2      1.574 CV     1
 ASSI { 3051}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 24   and name HD1%)
      3.700     1.700     1.700 peak  3051 spectrum    1 weight  0.11000E+01 volume  0.34548E-03 ppm1      6.841 ppm2      0.025 CV     1
 ASSI { 1139}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  1139 spectrum    1 weight  0.11000E+01 volume  0.26611E-02 ppm1      8.586 ppm2      7.490 CV     1
 ASSI { 2078}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.600     0.600 peak  2078 spectrum    1 weight  0.11000E+01 volume  0.98394E-02 ppm1      8.586 ppm2      4.341 CV     1
 ASSI { 2555}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak  2555 spectrum    1 weight  0.11000E+01 volume  0.25037E-02 ppm1      8.586 ppm2      2.208 CV     1
 ASSI { 2659}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB3 ))
      3.100     1.200     1.200 peak  2659 spectrum    1 weight  0.11000E+01 volume  0.93339E-03 ppm1      8.586 ppm2      1.751 CV     1
 ASSI { 2732}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HG3 ))
      3.200     1.300     1.300 peak  2732 spectrum    1 weight  0.11000E+01 volume  0.87340E-03 ppm1      8.586 ppm2      1.548 CV     1
 ASSI { 2921}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      3.800     1.800     1.800 peak  2921 spectrum    1 weight  0.11000E+01 volume  0.28155E-03 ppm1      8.581 ppm2      0.888 CV     1
 ASSI { 2114}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.100     1.200     1.200 peak  2114 spectrum    1 weight  0.11000E+01 volume  0.10693E-02 ppm1      7.466 ppm2      4.240 CV     1
 ASSI { 2315}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HE2 ))
      3.900     1.900     1.900 peak  2315 spectrum    1 weight  0.11000E+01 volume  0.25440E-03 ppm1      7.462 ppm2      3.351 CV     1
 ASSI { 2554}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      3.500     1.600     1.600 peak  2554 spectrum    1 weight  0.11000E+01 volume  0.44999E-03 ppm1      7.466 ppm2      2.208 CV     1
 ASSI { 2608}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.100     1.200     1.200 peak  2608 spectrum    1 weight  0.11000E+01 volume  0.10747E-02 ppm1      7.466 ppm2      1.904 CV     1
 ASSI { 2697}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD3 ))
      2.800     1.000     1.000 peak  2697 spectrum    1 weight  0.11000E+01 volume  0.16774E-02 ppm1      7.466 ppm2      1.624 CV     1
 OR { 2697}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 2777}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.000     3.000     3.000 peak  2777 spectrum    1 weight  0.11000E+01 volume  0.13251E-02 ppm1      7.466 ppm2      1.345 CV     1
 OR { 2777}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG3 ))
 ASSI { 1451}
   (( segid "    " and resid 35   and name HD22))
   (  segid "    " and resid 37   and name HE% )
      3.200     1.300     1.300 peak  1451 spectrum    1 weight  0.11000E+01 volume  0.78085E-03 ppm1      6.161 ppm2      6.880 CV     1
 ASSI { 2709}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HB3 ))
      3.000     1.100     1.100 peak  2709 spectrum    1 weight  0.11000E+01 volume  0.13560E-02 ppm1      6.156 ppm2      1.599 CV     1
 ASSI {  623}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 11   and name HE1 ))
      3.900     1.900     1.900 peak   623 spectrum    1 weight  0.11000E+01 volume  0.25916E-03 ppm1      6.161 ppm2      8.277 CV     1
 ASSI { 1237}
   (( segid "    " and resid 35   and name HD22))
   (  segid "    " and resid 29   and name HE% )
      3.600     1.600     1.600 peak  1237 spectrum    1 weight  0.11000E+01 volume  0.40524E-03 ppm1      6.151 ppm2      7.287 CV     1
 ASSI { 1386}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 29   and name HZ  ))
      3.100     1.200     1.200 peak  1386 spectrum    1 weight  0.11000E+01 volume  0.95485E-03 ppm1      6.161 ppm2      7.033 CV     1
 ASSI { 2270}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HD21))
      2.100     0.500     0.500 peak  2270 spectrum    1 weight  0.11000E+01 volume  0.10786E-01 ppm1      6.156 ppm2      3.630 CV     1
 ASSI {  481}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   481 spectrum    1 weight  0.11000E+01 volume  0.12454E-02 ppm1      8.009 ppm2      8.429 CV     1
 ASSI { 1149}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      3.700     1.700     1.700 peak  1149 spectrum    1 weight  0.11000E+01 volume  0.35858E-03 ppm1      8.014 ppm2      7.464 CV     1
 ASSI { 1724}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.100     0.600     0.600 peak  1724 spectrum    1 weight  0.11000E+01 volume  0.91732E-02 ppm1      8.009 ppm2      5.433 CV     1
 ASSI { 2010}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak  2010 spectrum    1 weight  0.11000E+01 volume  0.22386E-02 ppm1      8.009 ppm2      4.595 CV     1
 ASSI { 2488}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak  2488 spectrum    1 weight  0.11000E+01 volume  0.87874E-03 ppm1      8.009 ppm2      2.462 CV     1
 ASSI { 2605}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  2605 spectrum    1 weight  0.11000E+01 volume  0.78332E-03 ppm1      8.009 ppm2      1.904 CV     1
 ASSI {  612}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 11   and name HE1 ))
      3.500     1.500     1.500 peak   612 spectrum    1 weight  0.11000E+01 volume  0.51972E-03 ppm1      7.955 ppm2      8.277 CV     1
 ASSI { 1744}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.100     2.100     1.900 peak  1744 spectrum    1 weight  0.11000E+01 volume  0.18768E-03 ppm1      7.960 ppm2      5.357 CV     1
 ASSI { 2008}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak  2008 spectrum    1 weight  0.11000E+01 volume  0.87058E-02 ppm1      7.955 ppm2      4.595 CV     1
 ASSI { 2269}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HD21))
      4.000     2.000     2.000 peak  2269 spectrum    1 weight  0.11000E+01 volume  0.20745E-03 ppm1      7.960 ppm2      3.630 CV     1
 ASSI { 2494}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.500     0.800     0.800 peak  2494 spectrum    1 weight  0.11000E+01 volume  0.35188E-02 ppm1      7.955 ppm2      2.437 CV     1
 ASSI { 2578}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.500     1.500     1.500 peak  2578 spectrum    1 weight  0.11000E+01 volume  0.49290E-03 ppm1      7.960 ppm2      2.081 CV     1
 ASSI { 2712}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.700     1.700     1.700 peak  2712 spectrum    1 weight  0.11000E+01 volume  0.34225E-03 ppm1      7.955 ppm2      1.599 CV     1
 ASSI { 2957}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.400     1.500     1.500 peak  2957 spectrum    1 weight  0.11000E+01 volume  0.55946E-03 ppm1      7.955 ppm2      0.787 CV     1
 ASSI {   85}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak    85 spectrum    1 weight  0.11000E+01 volume  0.15266E-02 ppm1      9.241 ppm2      9.343 CV     1
 ASSI { 1454}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      2.800     1.000     1.000 peak  1454 spectrum    1 weight  0.11000E+01 volume  0.19388E-02 ppm1      9.241 ppm2      6.880 CV     1
 ASSI { 1743}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1743 spectrum    1 weight  0.11000E+01 volume  0.97388E-03 ppm1      9.241 ppm2      5.357 CV     1
 ASSI { 1993}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak  1993 spectrum    1 weight  0.11000E+01 volume  0.12993E-02 ppm1      9.241 ppm2      4.621 CV     1
 ASSI { 2399}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.900     1.100     1.100 peak  2399 spectrum    1 weight  0.11000E+01 volume  0.13970E-02 ppm1      9.241 ppm2      2.919 CV     1
 ASSI { 2476}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.200     3.200     2.800 peak  2476 spectrum    1 weight  0.11000E+01 volume  0.77476E-03 ppm1      9.241 ppm2      2.564 CV     1
 ASSI { 2989}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.000     2.000     2.000 peak  2989 spectrum    1 weight  0.11000E+01 volume  0.20353E-03 ppm1      9.237 ppm2      0.685 CV     1
 ASSI { 1450}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.700     1.700     1.700 peak  1450 spectrum    1 weight  0.11000E+01 volume  0.33116E-03 ppm1      9.378 ppm2      6.880 CV     1
 ASSI { 2000}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak  2000 spectrum    1 weight  0.11000E+01 volume  0.38708E-02 ppm1      9.369 ppm2      4.621 CV     1
 ASSI { 2041}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.900     1.900 peak  2041 spectrum    1 weight  0.11000E+01 volume  0.27540E-03 ppm1      9.369 ppm2      4.519 CV     1
 ASSI { 2400}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.900     1.900     1.900 peak  2400 spectrum    1 weight  0.11000E+01 volume  0.26372E-03 ppm1      9.369 ppm2      2.919 CV     1
 ASSI { 2479}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.100     1.200     1.200 peak  2479 spectrum    1 weight  0.11000E+01 volume  0.97119E-03 ppm1      9.369 ppm2      2.538 CV     1
 ASSI { 2845}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.700     0.900     0.900 peak  2845 spectrum    1 weight  0.11000E+01 volume  0.21326E-02 ppm1      9.369 ppm2      1.066 CV     1
 ASSI {   73}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak    73 spectrum    1 weight  0.11000E+01 volume  0.24446E-03 ppm1      8.928 ppm2      9.369 CV     1
 ASSI { 1444}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.600     1.700     1.700 peak  1444 spectrum    1 weight  0.11000E+01 volume  0.37950E-03 ppm1      8.933 ppm2      6.906 CV     1
 ASSI { 2285}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.700     1.700     1.700 peak  2285 spectrum    1 weight  0.11000E+01 volume  0.33294E-03 ppm1      8.933 ppm2      3.554 CV     1
 ASSI { 2343}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak  2343 spectrum    1 weight  0.11000E+01 volume  0.24241E-02 ppm1      8.933 ppm2      3.148 CV     1
 ASSI { 2383}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      4.100     2.100     1.900 peak  2383 spectrum    1 weight  0.11000E+01 volume  0.18608E-03 ppm1      8.928 ppm2      2.996 CV     1
 ASSI {  231}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   231 spectrum    1 weight  0.11000E+01 volume  0.42084E-03 ppm1      7.691 ppm2      8.937 CV     1
 ASSI {  376}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.300     1.300 peak   376 spectrum    1 weight  0.11000E+01 volume  0.71762E-03 ppm1      7.691 ppm2      8.607 CV     1
 ASSI {  518}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.400     1.400 peak   518 spectrum    1 weight  0.11000E+01 volume  0.62191E-03 ppm1      7.701 ppm2      8.378 CV     1
 ASSI { 1442}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.100     1.200     1.200 peak  1442 spectrum    1 weight  0.11000E+01 volume  0.95772E-03 ppm1      7.691 ppm2      6.906 CV     1
 ASSI { 1733}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.100     0.600     0.600 peak  1733 spectrum    1 weight  0.11000E+01 volume  0.94318E-02 ppm1      7.696 ppm2      5.408 CV     1
 ASSI { 2068}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  2068 spectrum    1 weight  0.11000E+01 volume  0.18130E-02 ppm1      7.691 ppm2      4.341 CV     1
 ASSI { 2336}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.900     1.000     1.000 peak  2336 spectrum    1 weight  0.11000E+01 volume  0.15467E-02 ppm1      7.691 ppm2      3.173 CV     1
 ASSI { 1531}
   (( segid "    " and resid 41   and name HE  ))
   (( segid "    " and resid 41   and name HH22))
      3.800     1.800     1.800 peak  1531 spectrum    1 weight  0.11000E+01 volume  0.30072E-03 ppm1      7.481 ppm2      6.753 CV     1
 ASSI { 2514}
   (( segid "    " and resid 41   and name HE  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.400     1.400     1.400 peak  2514 spectrum    1 weight  0.11000E+01 volume  0.62890E-03 ppm1      7.481 ppm2      2.386 CV     1
 ASSI { 2198}
   (( segid "    " and resid 41   and name HE  ))
   (( segid "    " and resid 42   and name HD2 ))
      3.900     1.900     1.900 peak  2198 spectrum    1 weight  0.11000E+01 volume  0.25621E-03 ppm1      7.481 ppm2      3.935 CV     1
 ASSI { 1472}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  1472 spectrum    1 weight  0.11000E+01 volume  0.21782E-03 ppm1      8.391 ppm2      6.855 CV     1
 ASSI { 1855}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak  1855 spectrum    1 weight  0.11000E+01 volume  0.20096E-02 ppm1      8.391 ppm2      4.697 CV     1
 ASSI { 2067}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak  2067 spectrum    1 weight  0.11000E+01 volume  0.71047E-02 ppm1      8.391 ppm2      4.341 CV     1
 ASSI { 2128}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.800     3.800     2.200 peak  2128 spectrum    1 weight  0.11000E+01 volume  0.30910E-03 ppm1      8.391 ppm2      4.189 CV     1
 ASSI { 2340}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.700     1.700     1.700 peak  2340 spectrum    1 weight  0.11000E+01 volume  0.36176E-03 ppm1      8.391 ppm2      3.173 CV     1
 ASSI { 2515}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  2515 spectrum    1 weight  0.11000E+01 volume  0.17871E-02 ppm1      8.391 ppm2      2.386 CV     1
 ASSI { 2195}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      3.200     1.300     1.300 peak  2195 spectrum    1 weight  0.11000E+01 volume  0.78532E-03 ppm1      8.391 ppm2      3.935 CV     1
 ASSI { 2610}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG2 ))
      2.600     0.800     0.800 peak  2610 spectrum    1 weight  0.11000E+01 volume  0.30700E-02 ppm1      8.391 ppm2      1.878 CV     1
 ASSI { 2684}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.400     0.700     0.700 peak  2684 spectrum    1 weight  0.11000E+01 volume  0.46412E-02 ppm1      8.391 ppm2      1.675 CV     1
 ASSI {  513}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.000     2.000     2.000 peak   513 spectrum    1 weight  0.11000E+01 volume  0.22099E-03 ppm1      9.320 ppm2      8.404 CV     1
 ASSI { 1853}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.800     1.800     1.800 peak  1853 spectrum    1 weight  0.11000E+01 volume  0.28376E-03 ppm1      9.315 ppm2      4.697 CV     1
 ASSI { 2188}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HD2 ))
      2.400     0.700     0.700 peak  2188 spectrum    1 weight  0.11000E+01 volume  0.42011E-02 ppm1      9.315 ppm2      3.935 CV     1
 ASSI { 2452}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.300     1.400     1.400 peak  2452 spectrum    1 weight  0.11000E+01 volume  0.69814E-03 ppm1      9.315 ppm2      2.640 CV     1
 ASSI { 2516}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      2.600     0.800     0.800 peak  2516 spectrum    1 weight  0.11000E+01 volume  0.32011E-02 ppm1      9.315 ppm2      2.386 CV     1
 ASSI { 2519}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  2519 spectrum    1 weight  0.11000E+01 volume  0.58996E-02 ppm1      9.315 ppm2      2.310 CV     1
 ASSI { 2612}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HB3 ))
      3.800     3.800     2.200 peak  2612 spectrum    1 weight  0.11000E+01 volume  0.30918E-03 ppm1      9.315 ppm2      1.878 CV     1
 ASSI { 2680}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.300     1.400     1.400 peak  2680 spectrum    1 weight  0.11000E+01 volume  0.65129E-03 ppm1      9.315 ppm2      1.675 CV     1
 ASSI {  508}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   508 spectrum    1 weight  0.11000E+01 volume  0.42250E-02 ppm1      6.855 ppm2      8.404 CV     1
 ASSI { 1312}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 64   and name HE% )
      3.500     3.500     2.500 peak  1312 spectrum    1 weight  0.11000E+01 volume  0.48298E-03 ppm1      6.860 ppm2      7.160 CV     1
 ASSI { 2210}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak  2210 spectrum    1 weight  0.11000E+01 volume  0.21626E-02 ppm1      6.855 ppm2      3.884 CV     1
 ASSI { 2467}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.400     0.700     0.700 peak  2467 spectrum    1 weight  0.11000E+01 volume  0.43614E-02 ppm1      6.855 ppm2      2.589 CV     1
 ASSI { 2739}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      4.000     2.000     2.000 peak  2739 spectrum    1 weight  0.11000E+01 volume  0.22823E-03 ppm1      6.860 ppm2      1.472 CV     1
 ASSI { 2844}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.500     1.500     1.500 peak  2844 spectrum    1 weight  0.11000E+01 volume  0.52071E-03 ppm1      6.860 ppm2      1.066 CV     1
 ASSI {  972}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   972 spectrum    1 weight  0.11000E+01 volume  0.44714E-02 ppm1      8.405 ppm2      7.718 CV     1
 ASSI { 1205}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak  1205 spectrum    1 weight  0.11000E+01 volume  0.34019E-03 ppm1      8.410 ppm2      7.363 CV     1
 ASSI { 1316}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 4    and name HH2 ))
      3.100     1.200     1.200 peak  1316 spectrum    1 weight  0.11000E+01 volume  0.10505E-02 ppm1      8.405 ppm2      7.160 CV     1
 ASSI { 2124}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  2124 spectrum    1 weight  0.11000E+01 volume  0.77376E-03 ppm1      8.405 ppm2      4.189 CV     1
 ASSI { 2209}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.500     1.500 peak  2209 spectrum    1 weight  0.11000E+01 volume  0.48952E-03 ppm1      8.415 ppm2      3.884 CV     1
 ASSI { 2464}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      2.700     0.900     0.900 peak  2464 spectrum    1 weight  0.11000E+01 volume  0.24835E-02 ppm1      8.405 ppm2      2.589 CV     1
 ASSI { 2715}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak  2715 spectrum    1 weight  0.11000E+01 volume  0.28910E-02 ppm1      8.405 ppm2      1.574 CV     1
 ASSI { 2738}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.200     0.600     0.600 peak  2738 spectrum    1 weight  0.11000E+01 volume  0.76925E-02 ppm1      8.405 ppm2      1.472 CV     1
 ASSI { 2812}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG1%)
      3.300     1.300     1.300 peak  2812 spectrum    1 weight  0.11000E+01 volume  0.75811E-03 ppm1      8.410 ppm2      1.218 CV     1
 ASSI { 1203}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  1203 spectrum    1 weight  0.11000E+01 volume  0.24915E-02 ppm1      7.701 ppm2      7.363 CV     1
 ASSI { 1268}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak  1268 spectrum    1 weight  0.11000E+01 volume  0.41833E-03 ppm1      7.706 ppm2      7.261 CV     1
 ASSI { 1357}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak  1357 spectrum    1 weight  0.11000E+01 volume  0.39433E-03 ppm1      7.706 ppm2      7.109 CV     1
 ASSI { 1469}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.400     1.500     1.500 peak  1469 spectrum    1 weight  0.11000E+01 volume  0.57284E-03 ppm1      7.701 ppm2      6.855 CV     1
 ASSI { 2049}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.900     1.100     1.100 peak  2049 spectrum    1 weight  0.11000E+01 volume  0.14957E-02 ppm1      7.701 ppm2      4.443 CV     1
 ASSI { 2133}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.600     1.600     1.600 peak  2133 spectrum    1 weight  0.11000E+01 volume  0.40210E-03 ppm1      7.701 ppm2      4.163 CV     1
 ASSI { 2212}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.300     0.700     0.700 peak  2212 spectrum    1 weight  0.11000E+01 volume  0.56339E-02 ppm1      7.701 ppm2      3.884 CV     1
 ASSI { 2408}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak  2408 spectrum    1 weight  0.11000E+01 volume  0.74991E-03 ppm1      7.701 ppm2      2.869 CV     1
 ASSI { 2470}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
      4.100     2.100     1.900 peak  2470 spectrum    1 weight  0.11000E+01 volume  0.19208E-03 ppm1      7.701 ppm2      2.589 CV     1
 ASSI { 2651}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 48   and name HG12))
      3.500     3.500     2.500 peak  2651 spectrum    1 weight  0.11000E+01 volume  0.52543E-03 ppm1      7.706 ppm2      1.751 CV     1
 ASSI { 2716}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.900     0.900 peak  2716 spectrum    1 weight  0.11000E+01 volume  0.26639E-02 ppm1      7.701 ppm2      1.574 CV     1
 ASSI { 2750}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      2.000     0.500     0.500 peak  2750 spectrum    1 weight  0.11000E+01 volume  0.12253E-01 ppm1      7.701 ppm2      1.421 CV     1
 ASSI { 1290}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.000     1.100     1.100 peak  1290 spectrum    1 weight  0.11000E+01 volume  0.12666E-02 ppm1      7.359 ppm2      7.236 CV     1
 ASSI { 1360}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  1360 spectrum    1 weight  0.11000E+01 volume  0.39408E-02 ppm1      7.359 ppm2      7.109 CV     1
 ASSI { 2213}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak  2213 spectrum    1 weight  0.11000E+01 volume  0.22221E-02 ppm1      7.359 ppm2      3.884 CV     1
 ASSI { 2262}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  2262 spectrum    1 weight  0.11000E+01 volume  0.32714E-02 ppm1      7.359 ppm2      3.656 CV     1
 ASSI { 2706}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.600     1.600     1.600 peak  2706 spectrum    1 weight  0.11000E+01 volume  0.40840E-03 ppm1      7.364 ppm2      1.599 CV     1
 ASSI { 2808}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HG13))
      2.500     0.800     0.800 peak  2808 spectrum    1 weight  0.11000E+01 volume  0.34413E-02 ppm1      7.359 ppm2      1.244 CV     1
 ASSI { 3001}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     2.500     3.500 peak  3001 spectrum    1 weight  0.11000E+01 volume  0.34921E-02 ppm1      7.359 ppm2      0.660 CV     1
 ASSI { 3018}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      3.900     1.900     1.900 peak  3018 spectrum    1 weight  0.11000E+01 volume  0.23627E-03 ppm1      7.364 ppm2      0.456 CV     1
 ASSI { 1865}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak  1865 spectrum    1 weight  0.11000E+01 volume  0.16552E-02 ppm1      7.095 ppm2      4.671 CV     1
 ASSI { 2623}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.500     0.800     0.800 peak  2623 spectrum    1 weight  0.11000E+01 volume  0.35346E-02 ppm1      7.095 ppm2      1.802 CV     1
 ASSI { 2665}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.700     0.900     0.900 peak  2665 spectrum    1 weight  0.11000E+01 volume  0.25010E-02 ppm1      7.095 ppm2      1.726 CV     1
 ASSI { 2702}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
      3.900     1.900     1.900 peak  2702 spectrum    1 weight  0.11000E+01 volume  0.25112E-03 ppm1      7.105 ppm2      1.624 CV     1
 ASSI { 2746}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 47   and name HB% )
      3.900     1.900     1.900 peak  2746 spectrum    1 weight  0.11000E+01 volume  0.25998E-03 ppm1      7.095 ppm2      1.421 CV     1
 ASSI { 2806}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HG13))
      3.600     1.600     1.600 peak  2806 spectrum    1 weight  0.11000E+01 volume  0.44343E-03 ppm1      7.095 ppm2      1.244 CV     1
 ASSI { 3002}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.200     1.200     1.200 peak  3002 spectrum    1 weight  0.11000E+01 volume  0.90089E-03 ppm1      7.100 ppm2      0.660 CV     1
 ASSI {  166}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.300     1.300     1.300 peak   166 spectrum    1 weight  0.11000E+01 volume  0.74000E-03 ppm1      7.251 ppm2      9.115 CV     1
 ASSI {  867}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.600     3.600     2.400 peak   867 spectrum    1 weight  0.11000E+01 volume  0.38732E-03 ppm1      7.251 ppm2      7.794 CV     1
 ASSI { 1355}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.300     0.700     0.700 peak  1355 spectrum    1 weight  0.11000E+01 volume  0.57021E-02 ppm1      7.251 ppm2      7.109 CV     1
 ASSI { 1872}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  1872 spectrum    1 weight  0.11000E+01 volume  0.19167E-02 ppm1      7.251 ppm2      4.671 CV     1
 ASSI { 2169}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      4.100     2.100     1.900 peak  2169 spectrum    1 weight  0.11000E+01 volume  0.18682E-03 ppm1      7.251 ppm2      4.011 CV     1
 ASSI { 2267}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak  2267 spectrum    1 weight  0.11000E+01 volume  0.53044E-03 ppm1      7.251 ppm2      3.656 CV     1
 ASSI { 2389}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HE2 ))
      3.500     1.500     1.500 peak  2389 spectrum    1 weight  0.11000E+01 volume  0.48130E-03 ppm1      7.251 ppm2      2.945 CV     1
 OR { 2389}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HE3 ))
 ASSI { 2652}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.000     0.500     0.500 peak  2652 spectrum    1 weight  0.11000E+01 volume  0.14483E-01 ppm1      7.251 ppm2      1.751 CV     1
 OR { 2652}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 2708}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HD3 ))
      3.600     1.600     1.600 peak  2708 spectrum    1 weight  0.11000E+01 volume  0.44557E-03 ppm1      7.251 ppm2      1.599 CV     1
 ASSI { 2991}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.600     1.600     1.600 peak  2991 spectrum    1 weight  0.11000E+01 volume  0.44719E-03 ppm1      7.251 ppm2      0.685 CV     1
 ASSI {  897}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   897 spectrum    1 weight  0.11000E+01 volume  0.19550E-02 ppm1      9.100 ppm2      7.769 CV     1
 ASSI { 2191}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  2191 spectrum    1 weight  0.11000E+01 volume  0.34717E-03 ppm1      9.104 ppm2      3.935 CV     1
 ASSI { 2300}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.400     0.700     0.700 peak  2300 spectrum    1 weight  0.11000E+01 volume  0.49072E-02 ppm1      9.100 ppm2      3.478 CV     1
 ASSI { 2593}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.000     1.100     1.100 peak  2593 spectrum    1 weight  0.11000E+01 volume  0.12688E-02 ppm1      9.100 ppm2      2.005 CV     1
 ASSI { 2647}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.100     1.200     1.200 peak  2647 spectrum    1 weight  0.11000E+01 volume  0.98439E-03 ppm1      9.100 ppm2      1.751 CV     1
 OR { 2647}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
 ASSI { 2696}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 94   and name HG3 ))
      2.900     1.000     1.000 peak  2696 spectrum    1 weight  0.11000E+01 volume  0.16124E-02 ppm1      9.100 ppm2      1.624 CV     1
 ASSI {  641}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     3.500     2.500 peak   641 spectrum    1 weight  0.11000E+01 volume  0.51663E-03 ppm1      7.755 ppm2      8.226 CV     1
 ASSI { 1044}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 94   and name HE21))
      3.500     1.500     1.500 peak  1044 spectrum    1 weight  0.11000E+01 volume  0.49914E-03 ppm1      7.779 ppm2      7.642 CV     1
 ASSI { 2172}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  2172 spectrum    1 weight  0.11000E+01 volume  0.25267E-02 ppm1      7.770 ppm2      3.986 CV     1
 ASSI { 2594}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.200     1.300     1.300 peak  2594 spectrum    1 weight  0.11000E+01 volume  0.79445E-03 ppm1      7.770 ppm2      2.005 CV     1
 ASSI { 2670}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.400     0.700     0.700 peak  2670 spectrum    1 weight  0.11000E+01 volume  0.47008E-02 ppm1      7.765 ppm2      1.726 CV     1
 ASSI { 2695}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 94   and name HG3 ))
      2.900     1.000     1.000 peak  2695 spectrum    1 weight  0.11000E+01 volume  0.16166E-02 ppm1      7.770 ppm2      1.624 CV     1
 ASSI { 2804}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG12))
      2.800     1.000     1.000 peak  2804 spectrum    1 weight  0.11000E+01 volume  0.19151E-02 ppm1      7.765 ppm2      1.244 CV     1
 ASSI { 2901}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG13))
      2.900     1.000     1.000 peak  2901 spectrum    1 weight  0.11000E+01 volume  0.16679E-02 ppm1      7.765 ppm2      0.939 CV     1
 ASSI { 2972}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      2.900     1.000     1.000 peak  2972 spectrum    1 weight  0.11000E+01 volume  0.16412E-02 ppm1      7.765 ppm2      0.710 CV     1
 ASSI { 2164}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      3.800     1.800     1.800 peak  2164 spectrum    1 weight  0.11000E+01 volume  0.28046E-03 ppm1      8.200 ppm2      4.062 CV     1
 ASSI { 2611}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.500     0.800     0.800 peak  2611 spectrum    1 weight  0.11000E+01 volume  0.35317E-02 ppm1      8.195 ppm2      1.878 CV     1
 ASSI { 2664}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.000     2.000     2.000 peak  2664 spectrum    1 weight  0.11000E+01 volume  0.21052E-03 ppm1      8.200 ppm2      1.726 CV     1
 ASSI { 2761}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG12))
      2.800     1.000     1.000 peak  2761 spectrum    1 weight  0.11000E+01 volume  0.16933E-02 ppm1      8.195 ppm2      1.371 CV     1
 ASSI {  574}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.600     3.600     2.400 peak   574 spectrum    1 weight  0.11000E+01 volume  0.39577E-03 ppm1      7.706 ppm2      8.328 CV     1
 ASSI {  643}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     0.700     0.700 peak   643 spectrum    1 weight  0.11000E+01 volume  0.53868E-02 ppm1      7.706 ppm2      8.201 CV     1
 ASSI { 2107}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.800     0.800 peak  2107 spectrum    1 weight  0.11000E+01 volume  0.30763E-02 ppm1      7.706 ppm2      4.290 CV     1
 ASSI { 2184}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     1.300     1.300 peak  2184 spectrum    1 weight  0.11000E+01 volume  0.77861E-03 ppm1      7.711 ppm2      3.960 CV     1
 ASSI { 2606}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      2.200     0.600     0.600 peak  2606 spectrum    1 weight  0.11000E+01 volume  0.80224E-02 ppm1      7.706 ppm2      1.904 CV     1
 ASSI { 2769}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      2.100     0.500     0.500 peak  2769 spectrum    1 weight  0.11000E+01 volume  0.11315E-01 ppm1      7.706 ppm2      1.371 CV     1
 ASSI { 2968}
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak  2968 spectrum    1 weight  0.11000E+01 volume  0.12659E-02 ppm1      7.706 ppm2      0.736 CV     1
 ASSI {  548}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak   548 spectrum    1 weight  0.11000E+01 volume  0.71752E-03 ppm1      7.892 ppm2      8.353 CV     1
 ASSI { 1806}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     0.700     0.700 peak  1806 spectrum    1 weight  0.11000E+01 volume  0.50465E-02 ppm1      7.892 ppm2      4.951 CV     1
 ASSI { 2100}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      1.900     0.500     0.500 peak  2100 spectrum    1 weight  0.11000E+01 volume  0.19058E-01 ppm1      7.892 ppm2      4.290 CV     1
 ASSI { 2142}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.500     1.500     1.500 peak  2142 spectrum    1 weight  0.11000E+01 volume  0.48101E-03 ppm1      7.892 ppm2      4.138 CV     1
 ASSI { 2266}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.100     0.500     0.500 peak  2266 spectrum    1 weight  0.11000E+01 volume  0.11557E-01 ppm1      7.892 ppm2      3.656 CV     1
 OR { 2266}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI { 2607}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 92   and name HB3 ))
      3.700     1.700     1.700 peak  2607 spectrum    1 weight  0.11000E+01 volume  0.34300E-03 ppm1      7.892 ppm2      1.904 CV     1
 ASSI { 2773}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HB% )
      2.300     0.600     0.600 peak  2773 spectrum    1 weight  0.11000E+01 volume  0.63769E-02 ppm1      7.892 ppm2      1.371 CV     1
 ASSI { 1808}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.500     0.500 peak  1808 spectrum    1 weight  0.11000E+01 volume  0.11384E-01 ppm1      8.337 ppm2      4.951 CV     1
 ASSI { 2098}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  2098 spectrum    1 weight  0.11000E+01 volume  0.18453E-02 ppm1      8.337 ppm2      4.316 CV     1
 ASSI { 2138}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.800     1.800     1.800 peak  2138 spectrum    1 weight  0.11000E+01 volume  0.27937E-03 ppm1      8.337 ppm2      4.138 CV     1
 ASSI { 2268}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.000     1.200     1.200 peak  2268 spectrum    1 weight  0.11000E+01 volume  0.11339E-02 ppm1      8.342 ppm2      3.656 CV     1
 OR { 2268}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2428}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.400     1.500     1.500 peak  2428 spectrum    1 weight  0.11000E+01 volume  0.57177E-03 ppm1      8.337 ppm2      2.742 CV     1
 ASSI { 2481}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      4.000     2.000     2.000 peak  2481 spectrum    1 weight  0.11000E+01 volume  0.20587E-03 ppm1      8.342 ppm2      2.538 CV     1
 ASSI { 2646}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.000     1.200     1.200 peak  2646 spectrum    1 weight  0.11000E+01 volume  0.11413E-02 ppm1      8.337 ppm2      1.751 CV     1
 ASSI { 2725}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.900     1.100     1.100 peak  2725 spectrum    1 weight  0.11000E+01 volume  0.14623E-02 ppm1      8.342 ppm2      1.548 CV     1
 ASSI { 2970}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak  2970 spectrum    1 weight  0.11000E+01 volume  0.12731E-02 ppm1      8.342 ppm2      0.736 CV     1
 ASSI { 2431}
   (( segid "    " and resid 57   and name HD21))
   (( segid "    " and resid 57   and name HB2 ))
      2.800     1.000     1.000 peak  2431 spectrum    1 weight  0.11000E+01 volume  0.19209E-02 ppm1      7.638 ppm2      2.742 CV     1
 ASSI { 2932}
   (( segid "    " and resid 57   and name HD21))
   (  segid "    " and resid 100  and name HG1%)
      3.200     1.300     1.300 peak  2932 spectrum    1 weight  0.11000E+01 volume  0.84419E-03 ppm1      7.638 ppm2      0.837 CV     1
 ASSI { 2994}
   (( segid "    " and resid 57   and name HD21))
   (  segid "    " and resid 100  and name HG2%)
      3.300     1.300     1.300 peak  2994 spectrum    1 weight  0.11000E+01 volume  0.74531E-03 ppm1      7.638 ppm2      0.685 CV     1
 ASSI { 2984}
   (( segid "    " and resid 57   and name HD22))
   (  segid "    " and resid 100  and name HG2%)
      3.300     1.400     1.400 peak  2984 spectrum    1 weight  0.11000E+01 volume  0.67336E-03 ppm1      6.933 ppm2      0.685 CV     1
 ASSI {  552}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak   552 spectrum    1 weight  0.11000E+01 volume  0.51237E-03 ppm1      8.630 ppm2      8.353 CV     1
 ASSI { 1041}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HD21))
      4.000     2.000     2.000 peak  1041 spectrum    1 weight  0.11000E+01 volume  0.22326E-03 ppm1      8.625 ppm2      7.642 CV     1
 ASSI { 1809}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.900     1.900     1.900 peak  1809 spectrum    1 weight  0.11000E+01 volume  0.23970E-03 ppm1      8.625 ppm2      4.925 CV     1
 ASSI { 2079}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.600     0.600 peak  2079 spectrum    1 weight  0.11000E+01 volume  0.10494E-01 ppm1      8.630 ppm2      4.316 CV     1
 ASSI { 2434}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  2434 spectrum    1 weight  0.11000E+01 volume  0.37001E-02 ppm1      8.630 ppm2      2.742 CV     1
 ASSI { 2502}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.000     1.100     1.100 peak  2502 spectrum    1 weight  0.11000E+01 volume  0.13335E-02 ppm1      8.630 ppm2      2.437 CV     1
 ASSI { 2648}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.300     1.300     1.300 peak  2648 spectrum    1 weight  0.11000E+01 volume  0.74380E-03 ppm1      8.630 ppm2      1.751 CV     1
 ASSI { 2724}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.400     1.400     1.400 peak  2724 spectrum    1 weight  0.11000E+01 volume  0.62090E-03 ppm1      8.625 ppm2      1.548 CV     1
 ASSI { 2781}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG2 ))
      2.600     0.800     0.800 peak  2781 spectrum    1 weight  0.11000E+01 volume  0.31905E-02 ppm1      8.630 ppm2      1.320 CV     1
 OR { 2781}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG3 ))
 ASSI { 2857}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.100     2.100     1.900 peak  2857 spectrum    1 weight  0.11000E+01 volume  0.19814E-03 ppm1      8.625 ppm2      1.040 CV     1
 ASSI { 2969}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.800     1.800     1.800 peak  2969 spectrum    1 weight  0.11000E+01 volume  0.28562E-03 ppm1      8.625 ppm2      0.736 CV     1
 ASSI {  303}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.800     1.000     1.000 peak   303 spectrum    1 weight  0.11000E+01 volume  0.18587E-02 ppm1      9.325 ppm2      8.785 CV     1
 ASSI {  347}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   347 spectrum    1 weight  0.11000E+01 volume  0.26052E-03 ppm1      9.325 ppm2      8.658 CV     1
 ASSI { 1819}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak  1819 spectrum    1 weight  0.11000E+01 volume  0.88837E-03 ppm1      9.325 ppm2      4.925 CV     1
 ASSI { 2501}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.300     1.300     1.300 peak  2501 spectrum    1 weight  0.11000E+01 volume  0.71872E-03 ppm1      9.325 ppm2      2.437 CV     1
 ASSI { 2645}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     2.600     3.400 peak  2645 spectrum    1 weight  0.11000E+01 volume  0.28451E-02 ppm1      9.325 ppm2      1.751 CV     1
 ASSI { 2853}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      4.000     2.000     2.000 peak  2853 spectrum    1 weight  0.11000E+01 volume  0.20476E-03 ppm1      9.325 ppm2      1.040 CV     1
 ASSI {   83}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.900     1.900     1.900 peak    83 spectrum    1 weight  0.11000E+01 volume  0.25799E-03 ppm1      8.019 ppm2      9.343 CV     1
 ASSI {  411}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.000     2.000     2.000 peak   411 spectrum    1 weight  0.11000E+01 volume  0.21723E-03 ppm1      8.029 ppm2      8.581 CV     1
 ASSI { 2106}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      4.100     2.100     1.900 peak  2106 spectrum    1 weight  0.11000E+01 volume  0.20108E-03 ppm1      8.029 ppm2      4.290 CV     1
 ASSI { 2679}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak  2679 spectrum    1 weight  0.11000E+01 volume  0.38876E-02 ppm1      8.019 ppm2      1.675 CV     1
 ASSI { 2755}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.800     0.800 peak  2755 spectrum    1 weight  0.11000E+01 volume  0.30004E-02 ppm1      8.019 ppm2      1.396 CV     1
 ASSI { 2990}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  2990 spectrum    1 weight  0.11000E+01 volume  0.23554E-02 ppm1      8.019 ppm2      0.685 CV     1
 ASSI { 3033}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.600     1.600     1.600 peak  3033 spectrum    1 weight  0.11000E+01 volume  0.42117E-03 ppm1      8.019 ppm2      0.431 CV     1
 ASSI {  778}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     1.000     1.000 peak   778 spectrum    1 weight  0.11000E+01 volume  0.19697E-02 ppm1      8.591 ppm2      7.947 CV     1
 ASSI { 2170}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  2170 spectrum    1 weight  0.11000E+01 volume  0.16757E-02 ppm1      8.596 ppm2      4.011 CV     1
 ASSI { 2753}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.400     1.400 peak  2753 spectrum    1 weight  0.11000E+01 volume  0.60141E-03 ppm1      8.591 ppm2      1.396 CV     1
 ASSI { 3022}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      2.200     0.600     0.600 peak  3022 spectrum    1 weight  0.11000E+01 volume  0.79061E-02 ppm1      8.591 ppm2      0.456 CV     1
 ASSI {  404}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak   404 spectrum    1 weight  0.11000E+01 volume  0.47017E-03 ppm1      8.435 ppm2      8.581 CV     1
 ASSI { 1095}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  1095 spectrum    1 weight  0.11000E+01 volume  0.37356E-02 ppm1      8.435 ppm2      7.515 CV     1
 ASSI { 1330}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 64   and name HE% )
      4.100     2.100     1.900 peak  1330 spectrum    1 weight  0.11000E+01 volume  0.18615E-03 ppm1      8.435 ppm2      7.134 CV     1
 ASSI { 2023}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      2.600     0.800     0.800 peak  2023 spectrum    1 weight  0.11000E+01 volume  0.29894E-02 ppm1      8.435 ppm2      4.570 CV     1
 ASSI { 2083}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      3.000     1.100     1.100 peak  2083 spectrum    1 weight  0.11000E+01 volume  0.12453E-02 ppm1      8.430 ppm2      4.316 CV     1
 ASSI { 2166}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  2166 spectrum    1 weight  0.11000E+01 volume  0.82566E-02 ppm1      8.435 ppm2      4.037 CV     1
 ASSI { 2272}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.900     1.900     1.900 peak  2272 spectrum    1 weight  0.11000E+01 volume  0.24324E-03 ppm1      8.435 ppm2      3.630 CV     1
 OR { 2272}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2960}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.700     1.700     1.700 peak  2960 spectrum    1 weight  0.11000E+01 volume  0.36194E-03 ppm1      8.435 ppm2      0.787 CV     1
 ASSI { 3006}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.600     1.600     1.600 peak  3006 spectrum    1 weight  0.11000E+01 volume  0.39983E-03 ppm1      8.430 ppm2      0.660 CV     1
 ASSI {  594}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.900     1.900     1.900 peak   594 spectrum    1 weight  0.11000E+01 volume  0.23948E-03 ppm1      7.515 ppm2      8.302 CV     1
 ASSI { 1333}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HE% )
      3.400     1.400     1.400 peak  1333 spectrum    1 weight  0.11000E+01 volume  0.60808E-03 ppm1      7.515 ppm2      7.134 CV     1
 ASSI { 2024}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.300     0.700     0.700 peak  2024 spectrum    1 weight  0.11000E+01 volume  0.59134E-02 ppm1      7.510 ppm2      4.570 CV     1
 ASSI { 2809}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HG2%)
      3.500     1.600     1.600 peak  2809 spectrum    1 weight  0.11000E+01 volume  0.45565E-03 ppm1      7.510 ppm2      1.244 CV     1
 ASSI { 3026}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      3.600     1.600     1.600 peak  3026 spectrum    1 weight  0.11000E+01 volume  0.42920E-03 ppm1      7.515 ppm2      0.456 CV     1
 ASSI { 2009}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.200     0.600     0.600 peak  2009 spectrum    1 weight  0.11000E+01 volume  0.82437E-02 ppm1      8.288 ppm2      4.595 CV     1
 ASSI { 2522}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HG2 ))
      2.800     1.000     1.000 peak  2522 spectrum    1 weight  0.11000E+01 volume  0.19336E-02 ppm1      8.288 ppm2      2.310 CV     1
 ASSI { 2674}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.500     2.500     3.500 peak  2674 spectrum    1 weight  0.11000E+01 volume  0.34228E-02 ppm1      8.288 ppm2      1.726 CV     1
 ASSI {   42}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.900     1.900     1.900 peak    42 spectrum    1 weight  0.11000E+01 volume  0.23751E-03 ppm1      8.557 ppm2      9.673 CV     1
 ASSI {  174}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.11000E+01 volume  0.21044E-02 ppm1      8.552 ppm2      9.089 CV     1
 ASSI { 1190}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD% )
      2.900     1.000     1.000 peak  1190 spectrum    1 weight  0.11000E+01 volume  0.15343E-02 ppm1      8.552 ppm2      7.388 CV     1
 ASSI { 1591}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 87   and name HE% )
      4.000     2.000     2.000 peak  1591 spectrum    1 weight  0.11000E+01 volume  0.22070E-03 ppm1      8.547 ppm2      6.550 CV     1
 ASSI { 1730}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1730 spectrum    1 weight  0.11000E+01 volume  0.29603E-03 ppm1      8.547 ppm2      5.433 CV     1
 ASSI { 1812}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.900     1.900     1.900 peak  1812 spectrum    1 weight  0.11000E+01 volume  0.23708E-03 ppm1      8.557 ppm2      4.925 CV     1
 ASSI { 2387}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.800     1.000     1.000 peak  2387 spectrum    1 weight  0.11000E+01 volume  0.20237E-02 ppm1      8.547 ppm2      2.970 CV     1
 ASSI { 2685}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.900     1.100     1.100 peak  2685 spectrum    1 weight  0.11000E+01 volume  0.14152E-02 ppm1      8.552 ppm2      1.650 CV     1
 ASSI { 2909}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.400     1.500     1.500 peak  2909 spectrum    1 weight  0.11000E+01 volume  0.57230E-03 ppm1      8.547 ppm2      0.913 CV     1
 ASSI {  108}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     1.800     1.800 peak   108 spectrum    1 weight  0.11000E+01 volume  0.28718E-03 ppm1      9.652 ppm2      9.292 CV     1
 ASSI { 1456}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 39   and name HD% )
      3.900     1.900     1.900 peak  1456 spectrum    1 weight  0.11000E+01 volume  0.24497E-03 ppm1      9.652 ppm2      6.880 CV     1
 ASSI { 2281}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     0.900     0.900 peak  2281 spectrum    1 weight  0.11000E+01 volume  0.23805E-02 ppm1      9.647 ppm2      3.554 CV     1
 ASSI { 2327}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  2327 spectrum    1 weight  0.11000E+01 volume  0.21388E-02 ppm1      9.647 ppm2      3.300 CV     1
 ASSI { 2339}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.800     1.800     1.800 peak  2339 spectrum    1 weight  0.11000E+01 volume  0.27826E-03 ppm1      9.647 ppm2      3.173 CV     1
 ASSI { 2374}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.800     1.000     1.000 peak  2374 spectrum    1 weight  0.11000E+01 volume  0.19421E-02 ppm1      9.652 ppm2      2.996 CV     1
 ASSI { 2938}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak  2938 spectrum    1 weight  0.11000E+01 volume  0.39085E-03 ppm1      9.652 ppm2      0.812 CV     1
 ASSI { 2982}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      4.000     2.000     2.000 peak  2982 spectrum    1 weight  0.11000E+01 volume  0.22605E-03 ppm1      9.652 ppm2      0.710 CV     1
 ASSI { 1489}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 16   and name HH11))
      3.300     1.400     1.400 peak  1489 spectrum    1 weight  0.11000E+01 volume  0.64314E-03 ppm1      9.276 ppm2      6.830 CV     1
 OR { 1489}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 16   and name HH12))
 ASSI { 1784}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.900     1.900     1.900 peak  1784 spectrum    1 weight  0.11000E+01 volume  0.26867E-03 ppm1      9.276 ppm2      5.078 CV     1
 ASSI { 2599}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.500     0.800     0.800 peak  2599 spectrum    1 weight  0.11000E+01 volume  0.35914E-02 ppm1      9.276 ppm2      1.955 CV     1
 ASSI { 2815}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.400     1.500     1.500 peak  2815 spectrum    1 weight  0.11000E+01 volume  0.55965E-03 ppm1      9.276 ppm2      1.193 CV     1
 ASSI { 2914}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.300     1.400     1.400 peak  2914 spectrum    1 weight  0.11000E+01 volume  0.67831E-03 ppm1      9.276 ppm2      0.913 CV     1
 ASSI { 2998}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.700     1.700     1.700 peak  2998 spectrum    1 weight  0.11000E+01 volume  0.37812E-03 ppm1      9.276 ppm2      0.685 CV     1
 ASSI { 1762}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak  1762 spectrum    1 weight  0.11000E+01 volume  0.26373E-03 ppm1      9.354 ppm2      5.230 CV     1
 ASSI { 1779}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak  1779 spectrum    1 weight  0.11000E+01 volume  0.84080E-03 ppm1      9.359 ppm2      5.103 CV     1
 ASSI { 2109}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.800     1.800     1.800 peak  2109 spectrum    1 weight  0.11000E+01 volume  0.30613E-03 ppm1      9.349 ppm2      4.265 CV     1
 ASSI { 2398}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.800     1.800     1.800 peak  2398 spectrum    1 weight  0.11000E+01 volume  0.32056E-03 ppm1      9.359 ppm2      2.919 CV     1
 ASSI { 2600}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      3.500     1.500     1.500 peak  2600 spectrum    1 weight  0.11000E+01 volume  0.52624E-03 ppm1      9.354 ppm2      1.955 CV     1
 ASSI { 2910}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD1%)
      3.900     1.900     1.900 peak  2910 spectrum    1 weight  0.11000E+01 volume  0.25779E-03 ppm1      9.354 ppm2      0.913 CV     1
 ASSI { 2958}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.500     1.500     1.500 peak  2958 spectrum    1 weight  0.11000E+01 volume  0.48770E-03 ppm1      9.349 ppm2      0.787 CV     1
 ASSI { 2996}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 66   and name HD2%)
      3.300     1.400     1.400 peak  2996 spectrum    1 weight  0.11000E+01 volume  0.66433E-03 ppm1      9.354 ppm2      0.685 CV     1
 ASSI {  118}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak   118 spectrum    1 weight  0.11000E+01 volume  0.32695E-03 ppm1      9.378 ppm2      9.242 CV     1
 ASSI {  153}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.11000E+01 volume  0.25497E-03 ppm1      9.359 ppm2      9.140 CV     1
 ASSI { 1745}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak  1745 spectrum    1 weight  0.11000E+01 volume  0.87707E-03 ppm1      9.364 ppm2      5.357 CV     1
 ASSI { 2202}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.500     1.500     1.500 peak  2202 spectrum    1 weight  0.11000E+01 volume  0.49006E-03 ppm1      9.364 ppm2      3.910 CV     1
 ASSI { 2255}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.900     1.900     1.900 peak  2255 spectrum    1 weight  0.11000E+01 volume  0.25885E-03 ppm1      9.364 ppm2      3.681 CV     1
 ASSI { 2629}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      4.000     2.000     2.000 peak  2629 spectrum    1 weight  0.11000E+01 volume  0.21861E-03 ppm1      9.369 ppm2      1.777 CV     1
 ASSI { 2904}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      3.200     1.300     1.300 peak  2904 spectrum    1 weight  0.11000E+01 volume  0.78442E-03 ppm1      9.364 ppm2      0.939 CV     1
 ASSI {   74}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak    74 spectrum    1 weight  0.11000E+01 volume  0.24493E-03 ppm1      8.425 ppm2      9.369 CV     1
 ASSI {  320}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     4.000     2.000 peak   320 spectrum    1 weight  0.11000E+01 volume  0.20821E-03 ppm1      8.435 ppm2      8.708 CV     1
 ASSI { 1461}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 37   and name HD% )
      3.900     1.900     1.900 peak  1461 spectrum    1 weight  0.11000E+01 volume  0.26765E-03 ppm1      8.430 ppm2      6.880 CV     1
 ASSI { 2032}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.400     1.400     1.400 peak  2032 spectrum    1 weight  0.11000E+01 volume  0.60735E-03 ppm1      8.425 ppm2      4.544 CV     1
 ASSI { 2941}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.000     4.000     2.000 peak  2941 spectrum    1 weight  0.11000E+01 volume  0.22128E-03 ppm1      8.425 ppm2      0.812 CV     1
 ASSI { 2415}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 70   and name HB2 ))
      3.600     1.600     1.600 peak  2415 spectrum    1 weight  0.11000E+01 volume  0.44491E-03 ppm1      7.383 ppm2      2.843 CV     1
 ASSI { 2485}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 68   and name HB2 ))
      3.500     1.500     1.500 peak  2485 spectrum    1 weight  0.11000E+01 volume  0.47462E-03 ppm1      7.383 ppm2      2.538 CV     1
 OR { 2485}
   (( segid "    " and resid 70   and name HD21))
   (( segid "    " and resid 68   and name HB3 ))
 ASSI { 2443}
   (( segid "    " and resid 70   and name HD22))
   (( segid "    " and resid 70   and name HB3 ))
      3.500     1.600     1.600 peak  2443 spectrum    1 weight  0.11000E+01 volume  0.46872E-03 ppm1      6.987 ppm2      2.716 CV     1
 ASSI { 2621}
   (( segid "    " and resid 70   and name HD22))
   (( segid "    " and resid 81   and name HB2 ))
      3.700     1.800     1.800 peak  2621 spectrum    1 weight  0.11000E+01 volume  0.32420E-03 ppm1      6.992 ppm2      1.828 CV     1
 ASSI { 2656}
   (( segid "    " and resid 70   and name HD22))
   (( segid "    " and resid 81   and name HB3 ))
      4.000     2.000     2.000 peak  2656 spectrum    1 weight  0.11000E+01 volume  0.21842E-03 ppm1      6.982 ppm2      1.751 CV     1
 ASSI {  282}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.900     1.100     1.100 peak   282 spectrum    1 weight  0.11000E+01 volume  0.14587E-02 ppm1      8.684 ppm2      8.835 CV     1
 ASSI { 1755}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.500     1.500     1.500 peak  1755 spectrum    1 weight  0.11000E+01 volume  0.52111E-03 ppm1      8.684 ppm2      5.281 CV     1
 ASSI { 1824}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      4.100     2.100     1.900 peak  1824 spectrum    1 weight  0.11000E+01 volume  0.19479E-03 ppm1      8.684 ppm2      4.900 CV     1
 ASSI { 2416}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.200     1.300     1.300 peak  2416 spectrum    1 weight  0.11000E+01 volume  0.79065E-03 ppm1      8.679 ppm2      2.843 CV     1
 ASSI { 2447}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.700     0.900     0.900 peak  2447 spectrum    1 weight  0.11000E+01 volume  0.21499E-02 ppm1      8.679 ppm2      2.716 CV     1
 ASSI { 2529}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      3.500     1.500     1.500 peak  2529 spectrum    1 weight  0.11000E+01 volume  0.52497E-03 ppm1      8.679 ppm2      2.285 CV     1
 ASSI { 2626}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      4.000     2.000     2.000 peak  2626 spectrum    1 weight  0.11000E+01 volume  0.22417E-03 ppm1      8.684 ppm2      1.802 CV     1
 ASSI {  338}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   338 spectrum    1 weight  0.11000E+01 volume  0.34350E-03 ppm1      8.889 ppm2      8.683 CV     1
 ASSI {  726}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.800     1.800     1.800 peak   726 spectrum    1 weight  0.11000E+01 volume  0.27885E-03 ppm1      8.894 ppm2      8.048 CV     1
 ASSI { 1712}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.200     0.600     0.600 peak  1712 spectrum    1 weight  0.11000E+01 volume  0.78587E-02 ppm1      8.894 ppm2      5.484 CV     1
 ASSI { 2113}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak  2113 spectrum    1 weight  0.11000E+01 volume  0.75955E-03 ppm1      8.894 ppm2      4.240 CV     1
 ASSI { 2413}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.100     1.200     1.200 peak  2413 spectrum    1 weight  0.11000E+01 volume  0.10787E-02 ppm1      8.894 ppm2      2.843 CV     1
 ASSI { 2537}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      2.300     0.700     0.700 peak  2537 spectrum    1 weight  0.11000E+01 volume  0.58518E-02 ppm1      8.894 ppm2      2.234 CV     1
 ASSI { 2780}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 34   and name HG3 ))
      4.000     2.000     2.000 peak  2780 spectrum    1 weight  0.11000E+01 volume  0.21166E-03 ppm1      8.894 ppm2      1.320 CV     1
 OR { 2780}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 2918}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      2.400     0.700     0.700 peak  2918 spectrum    1 weight  0.11000E+01 volume  0.44565E-02 ppm1      8.894 ppm2      0.913 CV     1
 ASSI { 1003}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak  1003 spectrum    1 weight  0.11000E+01 volume  0.21219E-03 ppm1      8.043 ppm2      7.693 CV     1
 ASSI { 1395}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.900     1.900     1.900 peak  1395 spectrum    1 weight  0.11000E+01 volume  0.26158E-03 ppm1      8.043 ppm2      7.007 CV     1
 ASSI { 1885}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak  1885 spectrum    1 weight  0.11000E+01 volume  0.41995E-02 ppm1      8.043 ppm2      4.621 CV     1
 ASSI { 2258}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak  2258 spectrum    1 weight  0.11000E+01 volume  0.69390E-02 ppm1      8.043 ppm2      3.681 CV     1
 ASSI { 2532}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      3.400     1.400     1.400 peak  2532 spectrum    1 weight  0.11000E+01 volume  0.57516E-03 ppm1      8.043 ppm2      2.259 CV     1
 ASSI { 2831}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.700     0.900     0.900 peak  2831 spectrum    1 weight  0.11000E+01 volume  0.25232E-02 ppm1      8.043 ppm2      1.142 CV     1
 ASSI {  997}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   997 spectrum    1 weight  0.11000E+01 volume  0.20935E-02 ppm1      8.048 ppm2      7.693 CV     1
 ASSI { 2018}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB  ))
      2.100     0.600     0.600 peak  2018 spectrum    1 weight  0.11000E+01 volume  0.91382E-02 ppm1      8.048 ppm2      4.570 CV     1
 ASSI { 2257}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  2257 spectrum    1 weight  0.11000E+01 volume  0.23504E-03 ppm1      8.043 ppm2      3.681 CV     1
 ASSI { 2822}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HG2%)
      2.700     0.900     0.900 peak  2822 spectrum    1 weight  0.11000E+01 volume  0.22547E-02 ppm1      8.048 ppm2      1.167 CV     1
 ASSI { 2728}
   (( segid "    " and resid 74   and name HE  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.700     1.700     1.700 peak  2728 spectrum    1 weight  0.11000E+01 volume  0.34389E-03 ppm1      7.061 ppm2      1.548 CV     1
 ASSI { 1874}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak  1874 spectrum    1 weight  0.11000E+01 volume  0.30253E-02 ppm1      7.691 ppm2      4.646 CV     1
 ASSI { 2173}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.700     1.700     1.700 peak  2173 spectrum    1 weight  0.11000E+01 volume  0.34974E-03 ppm1      7.687 ppm2      3.986 CV     1
 ASSI { 2217}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB3 ))
      3.800     1.800     1.800 peak  2217 spectrum    1 weight  0.11000E+01 volume  0.29294E-03 ppm1      7.691 ppm2      3.859 CV     1
 ASSI { 2357}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD3 ))
      4.000     2.000     2.000 peak  2357 spectrum    1 weight  0.11000E+01 volume  0.22343E-03 ppm1      7.687 ppm2      3.097 CV     1
 OR { 2357}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 2729}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.500     0.800     0.800 peak  2729 spectrum    1 weight  0.11000E+01 volume  0.36059E-02 ppm1      7.691 ppm2      1.548 CV     1
 ASSI { 1396}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak  1396 spectrum    1 weight  0.11000E+01 volume  0.12520E-02 ppm1      8.562 ppm2      7.007 CV     1
 ASSI { 2461}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.400     1.400     1.400 peak  2461 spectrum    1 weight  0.11000E+01 volume  0.59120E-03 ppm1      8.562 ppm2      2.615 CV     1
 ASSI { 1870}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak  1870 spectrum    1 weight  0.11000E+01 volume  0.16843E-02 ppm1      6.992 ppm2      4.671 CV     1
 ASSI { 2741}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.700     0.900     0.900 peak  2741 spectrum    1 weight  0.11000E+01 volume  0.24479E-02 ppm1      6.992 ppm2      1.472 CV     1
 ASSI { 1831}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.400     1.500     1.500 peak  1831 spectrum    1 weight  0.11000E+01 volume  0.57424E-03 ppm1      9.593 ppm2      4.874 CV     1
 ASSI { 1868}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1868 spectrum    1 weight  0.11000E+01 volume  0.45593E-02 ppm1      9.593 ppm2      4.671 CV     1
 ASSI { 2066}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak  2066 spectrum    1 weight  0.11000E+01 volume  0.19327E-03 ppm1      9.603 ppm2      4.341 CV     1
 ASSI {   51}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.000     2.000     2.000 peak    51 spectrum    1 weight  0.11000E+01 volume  0.20645E-03 ppm1      8.840 ppm2      9.597 CV     1
 ASSI {  478}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.900     1.900     1.900 peak   478 spectrum    1 weight  0.11000E+01 volume  0.25311E-03 ppm1      8.840 ppm2      8.429 CV     1
 ASSI {  723}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak   723 spectrum    1 weight  0.11000E+01 volume  0.18632E-03 ppm1      8.840 ppm2      8.048 CV     1
 ASSI { 1982}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1982 spectrum    1 weight  0.11000E+01 volume  0.18270E-02 ppm1      8.840 ppm2      4.621 CV     1
 ASSI { 2250}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak  2250 spectrum    1 weight  0.11000E+01 volume  0.50019E-03 ppm1      8.836 ppm2      3.681 CV     1
 ASSI { 2458}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      2.700     0.900     0.900 peak  2458 spectrum    1 weight  0.11000E+01 volume  0.22031E-02 ppm1      8.840 ppm2      2.615 CV     1
 OR { 2458}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
 ASSI {   71}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.700     1.700     1.700 peak    71 spectrum    1 weight  0.11000E+01 volume  0.35362E-03 ppm1      8.425 ppm2      9.369 CV     1
 ASSI { 1758}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.900     1.000     1.000 peak  1758 spectrum    1 weight  0.11000E+01 volume  0.15879E-02 ppm1      8.425 ppm2      5.281 CV     1
 ASSI { 1973}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.100     0.600     0.600 peak  1973 spectrum    1 weight  0.11000E+01 volume  0.99678E-02 ppm1      8.425 ppm2      4.621 CV     1
 ASSI { 2633}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.300     0.700     0.700 peak  2633 spectrum    1 weight  0.11000E+01 volume  0.55528E-02 ppm1      8.425 ppm2      1.777 CV     1
 ASSI { 2677}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      3.000     3.000     3.000 peak  2677 spectrum    1 weight  0.11000E+01 volume  0.12101E-02 ppm1      8.425 ppm2      1.701 CV     1
 OR { 2677}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD3 ))
 ASSI { 2711}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.600     0.800     0.800 peak  2711 spectrum    1 weight  0.11000E+01 volume  0.29217E-02 ppm1      8.425 ppm2      1.599 CV     1
 ASSI { 2760}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.200     1.200     1.200 peak  2760 spectrum    1 weight  0.11000E+01 volume  0.90583E-03 ppm1      8.425 ppm2      1.371 CV     1
 OR { 2760}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG3 ))
 ASSI { 2854}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD1%)
      3.500     1.500     1.500 peak  2854 spectrum    1 weight  0.11000E+01 volume  0.49335E-03 ppm1      8.425 ppm2      1.040 CV     1
 ASSI { 2900}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD2%)
      3.700     1.800     1.800 peak  2900 spectrum    1 weight  0.11000E+01 volume  0.32252E-03 ppm1      8.425 ppm2      0.939 CV     1
 ASSI {  159}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.700     1.700     1.700 peak   159 spectrum    1 weight  0.11000E+01 volume  0.32749E-03 ppm1      9.349 ppm2      9.140 CV     1
 ASSI { 2477}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.300     3.300     2.700 peak  2477 spectrum    1 weight  0.11000E+01 volume  0.69745E-03 ppm1      9.349 ppm2      2.564 CV     1
 OR { 2477}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2619}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.000     1.100     1.100 peak  2619 spectrum    1 weight  0.11000E+01 volume  0.13123E-02 ppm1      9.344 ppm2      1.853 CV     1
 ASSI { 2631}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      2.900     1.100     1.100 peak  2631 spectrum    1 weight  0.11000E+01 volume  0.15009E-02 ppm1      9.349 ppm2      1.777 CV     1
 ASSI { 1768}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.200     1.200 peak  1768 spectrum    1 weight  0.11000E+01 volume  0.11403E-02 ppm1      9.129 ppm2      5.205 CV     1
 ASSI { 1847}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak  1847 spectrum    1 weight  0.11000E+01 volume  0.90762E-02 ppm1      9.129 ppm2      4.773 CV     1
 ASSI { 2627}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak  2627 spectrum    1 weight  0.11000E+01 volume  0.39299E-02 ppm1      9.129 ppm2      1.777 CV     1
 ASSI { 2723}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD2 ))
      3.300     1.400     1.400 peak  2723 spectrum    1 weight  0.11000E+01 volume  0.70647E-03 ppm1      9.134 ppm2      1.548 CV     1
 ASSI { 2747}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HD3 ))
      3.200     1.300     1.300 peak  2747 spectrum    1 weight  0.11000E+01 volume  0.81452E-03 ppm1      9.129 ppm2      1.421 CV     1
 ASSI { 2783}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HG3 ))
      2.900     1.000     1.000 peak  2783 spectrum    1 weight  0.11000E+01 volume  0.16055E-02 ppm1      9.129 ppm2      1.294 CV     1
 ASSI {  106}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.300     1.300 peak   106 spectrum    1 weight  0.11000E+01 volume  0.72680E-03 ppm1      8.777 ppm2      9.292 CV     1
 ASSI {  155}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      3.900     1.900     1.900 peak   155 spectrum    1 weight  0.11000E+01 volume  0.25963E-03 ppm1      8.777 ppm2      9.140 CV     1
 ASSI {  521}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.000     2.000     2.000 peak   521 spectrum    1 weight  0.11000E+01 volume  0.23315E-03 ppm1      8.777 ppm2      8.378 CV     1
 ASSI { 1497}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 16   and name HH11))
      3.100     1.200     1.200 peak  1497 spectrum    1 weight  0.11000E+01 volume  0.93824E-03 ppm1      8.777 ppm2      6.830 CV     1
 OR { 1497}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 16   and name HH21))
 ASSI { 1761}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.300     2.300     3.700 peak  1761 spectrum    1 weight  0.11000E+01 volume  0.58425E-02 ppm1      8.777 ppm2      5.230 CV     1
 ASSI { 2214}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.400     1.400     1.400 peak  2214 spectrum    1 weight  0.11000E+01 volume  0.62911E-03 ppm1      8.772 ppm2      3.884 CV     1
 OR { 2214}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI { 2597}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      3.300     3.300     2.700 peak  2597 spectrum    1 weight  0.11000E+01 volume  0.65898E-03 ppm1      8.777 ppm2      1.955 CV     1
 ASSI { 2638}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      3.100     1.200     1.200 peak  2638 spectrum    1 weight  0.11000E+01 volume  0.10858E-02 ppm1      8.782 ppm2      1.777 CV     1
 OR { 2638}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI { 2727}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.700     1.700     1.700 peak  2727 spectrum    1 weight  0.11000E+01 volume  0.32752E-03 ppm1      8.777 ppm2      1.548 CV     1
 ASSI { 2791}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
      3.800     1.800     1.800 peak  2791 spectrum    1 weight  0.11000E+01 volume  0.28083E-03 ppm1      8.777 ppm2      1.294 CV     1
 ASSI { 2916}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      4.000     2.000     2.000 peak  2916 spectrum    1 weight  0.11000E+01 volume  0.20588E-03 ppm1      8.772 ppm2      0.913 CV     1
 ASSI { 1727}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  1727 spectrum    1 weight  0.11000E+01 volume  0.12562E-02 ppm1      8.361 ppm2      5.433 CV     1
 ASSI { 2211}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
      2.400     0.700     0.700 peak  2211 spectrum    1 weight  0.11000E+01 volume  0.45556E-02 ppm1      8.361 ppm2      3.884 CV     1
 OR { 2211}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 2895}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.300     1.300     1.300 peak  2895 spectrum    1 weight  0.11000E+01 volume  0.75579E-03 ppm1      8.376 ppm2      0.939 CV     1
 ASSI {  164}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 86   and name HN  ))
      3.900     3.900     2.100 peak   164 spectrum    1 weight  0.11000E+01 volume  0.25247E-03 ppm1      7.770 ppm2      9.115 CV     1
 ASSI {  342}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 103  and name HN  ))
      4.100     2.100     1.900 peak   342 spectrum    1 weight  0.11000E+01 volume  0.18653E-03 ppm1      7.765 ppm2      8.658 CV     1
 ASSI { 2360}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 85   and name HB2 ))
      2.900     1.000     1.000 peak  2360 spectrum    1 weight  0.11000E+01 volume  0.16348E-02 ppm1      7.770 ppm2      3.046 CV     1
 ASSI { 2455}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 85   and name HB3 ))
      2.600     0.800     0.800 peak  2455 spectrum    1 weight  0.11000E+01 volume  0.30964E-02 ppm1      7.770 ppm2      2.615 CV     1
 ASSI { 2208}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 83   and name HB3 ))
      4.100     2.100     1.900 peak  2208 spectrum    1 weight  0.11000E+01 volume  0.18866E-03 ppm1      7.770 ppm2      3.884 CV     1
 OR { 2208}
   (( segid "    " and resid 85   and name HD21))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI { 2816}
   (( segid "    " and resid 85   and name HD21))
   (  segid "    " and resid 102  and name HG1%)
      3.900     1.900     1.900 peak  2816 spectrum    1 weight  0.11000E+01 volume  0.26895E-03 ppm1      7.770 ppm2      1.193 CV     1
 ASSI { 2892}
   (( segid "    " and resid 85   and name HD21))
   (  segid "    " and resid 66   and name HD1%)
      3.600     3.600     2.400 peak  2892 spectrum    1 weight  0.11000E+01 volume  0.43634E-03 ppm1      7.770 ppm2      0.939 CV     1
 ASSI { 2072}
   (( segid "    " and resid 85   and name HD22))
   (( segid "    " and resid 103  and name HA2 ))
      3.600     1.700     1.700 peak  2072 spectrum    1 weight  0.11000E+01 volume  0.38173E-03 ppm1      7.212 ppm2      4.341 CV     1
 ASSI { 2321}
   (( segid "    " and resid 85   and name HD22))
   (( segid "    " and resid 103  and name HA1 ))
      3.900     1.900     1.900 peak  2321 spectrum    1 weight  0.11000E+01 volume  0.25455E-03 ppm1      7.212 ppm2      3.300 CV     1
 ASSI { 2366}
   (( segid "    " and resid 85   and name HD22))
   (( segid "    " and resid 85   and name HB2 ))
      3.100     1.200     1.200 peak  2366 spectrum    1 weight  0.11000E+01 volume  0.92576E-03 ppm1      7.212 ppm2      3.046 CV     1
 ASSI { 2459}
   (( segid "    " and resid 85   and name HD22))
   (( segid "    " and resid 85   and name HB3 ))
      2.800     1.000     1.000 peak  2459 spectrum    1 weight  0.11000E+01 volume  0.19706E-02 ppm1      7.212 ppm2      2.615 CV     1
 ASSI { 2819}
   (( segid "    " and resid 85   and name HD22))
   (  segid "    " and resid 102  and name HG1%)
      4.100     2.100     1.900 peak  2819 spectrum    1 weight  0.11000E+01 volume  0.20233E-03 ppm1      7.212 ppm2      1.193 CV     1
 ASSI { 2866}
   (( segid "    " and resid 85   and name HD22))
   (  segid "    " and resid 102  and name HG2%)
      3.000     1.100     1.100 peak  2866 spectrum    1 weight  0.11000E+01 volume  0.12648E-02 ppm1      7.212 ppm2      1.040 CV     1
 ASSI {  115}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak   115 spectrum    1 weight  0.11000E+01 volume  0.46026E-03 ppm1      9.090 ppm2      9.267 CV     1
 ASSI { 1722}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.200     0.600     0.600 peak  1722 spectrum    1 weight  0.11000E+01 volume  0.85214E-02 ppm1      9.085 ppm2      5.433 CV     1
 ASSI { 1816}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     0.900     0.900 peak  1816 spectrum    1 weight  0.11000E+01 volume  0.23108E-02 ppm1      9.085 ppm2      4.925 CV     1
 ASSI { 2145}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak  2145 spectrum    1 weight  0.11000E+01 volume  0.50454E-03 ppm1      9.085 ppm2      4.138 CV     1
 ASSI { 2372}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.200     1.300     1.300 peak  2372 spectrum    1 weight  0.11000E+01 volume  0.77731E-03 ppm1      9.085 ppm2      3.021 CV     1
 ASSI { 2454}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.100     1.200     1.200 peak  2454 spectrum    1 weight  0.11000E+01 volume  0.10339E-02 ppm1      9.085 ppm2      2.640 CV     1
 ASSI { 2598}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 66   and name HG  ))
      2.900     1.100     1.100 peak  2598 spectrum    1 weight  0.11000E+01 volume  0.14277E-02 ppm1      9.085 ppm2      1.955 CV     1
 ASSI { 2691}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.100     1.200     1.200 peak  2691 spectrum    1 weight  0.11000E+01 volume  0.94336E-03 ppm1      9.085 ppm2      1.650 CV     1
 ASSI {  326}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.900     1.900     1.900 peak   326 spectrum    1 weight  0.11000E+01 volume  0.24272E-03 ppm1      9.149 ppm2      8.683 CV     1
 ASSI { 2044}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.200     1.200 peak  2044 spectrum    1 weight  0.11000E+01 volume  0.11473E-02 ppm1      9.139 ppm2      4.494 CV     1
 ASSI { 2063}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 103  and name HA2 ))
      4.100     2.100     1.900 peak  2063 spectrum    1 weight  0.11000E+01 volume  0.19903E-03 ppm1      9.144 ppm2      4.367 CV     1
 ASSI { 2460}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.300     1.300     1.300 peak  2460 spectrum    1 weight  0.11000E+01 volume  0.72843E-03 ppm1      9.139 ppm2      2.615 CV     1
 ASSI { 2663}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.700     1.700     1.700 peak  2663 spectrum    1 weight  0.11000E+01 volume  0.32702E-03 ppm1      9.144 ppm2      1.726 CV     1
 ASSI { 2751}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      2.400     0.700     0.700 peak  2751 spectrum    1 weight  0.11000E+01 volume  0.43665E-02 ppm1      9.139 ppm2      1.396 CV     1
 ASSI { 2877}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG3 ))
      3.100     1.200     1.200 peak  2877 spectrum    1 weight  0.11000E+01 volume  0.11047E-02 ppm1      9.139 ppm2      1.015 CV     1
 ASSI {  241}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak   241 spectrum    1 weight  0.11000E+01 volume  0.22599E-03 ppm1      7.951 ppm2      8.937 CV     1
 ASSI { 1512}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HD% )
      3.100     1.200     1.200 peak  1512 spectrum    1 weight  0.11000E+01 volume  0.10715E-02 ppm1      7.946 ppm2      6.779 CV     1
 ASSI { 2131}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     2.000     2.000 peak  2131 spectrum    1 weight  0.11000E+01 volume  0.21443E-03 ppm1      7.946 ppm2      4.189 CV     1
 ASSI { 2393}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.600     1.600     1.600 peak  2393 spectrum    1 weight  0.11000E+01 volume  0.44294E-03 ppm1      7.946 ppm2      2.945 CV     1
 ASSI { 2615}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak  2615 spectrum    1 weight  0.11000E+01 volume  0.21101E-02 ppm1      7.946 ppm2      1.878 CV     1
 ASSI { 2763}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      2.500     0.800     0.800 peak  2763 spectrum    1 weight  0.11000E+01 volume  0.38625E-02 ppm1      7.946 ppm2      1.371 CV     1
 ASSI {  330}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.600     1.700     1.700 peak   330 spectrum    1 weight  0.11000E+01 volume  0.38362E-03 ppm1      8.924 ppm2      8.683 CV     1
 ASSI { 1523}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HD% )
      3.200     1.300     1.300 peak  1523 spectrum    1 weight  0.11000E+01 volume  0.81772E-03 ppm1      8.919 ppm2      6.753 CV     1
 ASSI { 2095}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      4.100     2.100     1.900 peak  2095 spectrum    1 weight  0.11000E+01 volume  0.19660E-03 ppm1      8.938 ppm2      4.316 CV     1
 ASSI { 2355}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.500     0.800     0.800 peak  2355 spectrum    1 weight  0.11000E+01 volume  0.35124E-02 ppm1      8.919 ppm2      3.122 CV     1
 ASSI { 2396}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      3.100     1.200     1.200 peak  2396 spectrum    1 weight  0.11000E+01 volume  0.93743E-03 ppm1      8.928 ppm2      2.945 CV     1
 ASSI {  236}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.600     1.600     1.600 peak   236 spectrum    1 weight  0.11000E+01 volume  0.41555E-03 ppm1      8.777 ppm2      8.937 CV     1
 ASSI {  743}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   743 spectrum    1 weight  0.11000E+01 volume  0.20987E-03 ppm1      8.767 ppm2      8.023 CV     1
 ASSI { 1675}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.300     0.600     0.600 peak  1675 spectrum    1 weight  0.11000E+01 volume  0.67395E-02 ppm1      8.772 ppm2      5.687 CV     1
 ASSI { 1802}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1802 spectrum    1 weight  0.11000E+01 volume  0.11107E-02 ppm1      8.772 ppm2      4.976 CV     1
 ASSI { 2588}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      3.800     1.800     1.800 peak  2588 spectrum    1 weight  0.11000E+01 volume  0.31448E-03 ppm1      8.777 ppm2      2.031 CV     1
 ASSI { 2661}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.800     1.800     1.800 peak  2661 spectrum    1 weight  0.11000E+01 volume  0.30825E-03 ppm1      8.772 ppm2      1.751 CV     1
 ASSI {  300}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.200     1.300     1.300 peak   300 spectrum    1 weight  0.11000E+01 volume  0.86980E-03 ppm1      8.596 ppm2      8.785 CV     1
 ASSI { 2231}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      2.700     0.900     0.900 peak  2231 spectrum    1 weight  0.11000E+01 volume  0.22932E-02 ppm1      8.596 ppm2      3.783 CV     1
 ASSI { 2402}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      3.100     1.200     1.200 peak  2402 spectrum    1 weight  0.11000E+01 volume  0.93357E-03 ppm1      8.591 ppm2      2.894 CV     1
 ASSI { 2587}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      2.600     0.800     0.800 peak  2587 spectrum    1 weight  0.11000E+01 volume  0.29567E-02 ppm1      8.596 ppm2      2.031 CV     1
 ASSI { 2856}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HG2%)
      2.800     1.000     1.000 peak  2856 spectrum    1 weight  0.11000E+01 volume  0.18111E-02 ppm1      8.591 ppm2      1.040 CV     1
 ASSI {  387}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak   387 spectrum    1 weight  0.11000E+01 volume  0.41295E-03 ppm1      9.188 ppm2      8.607 CV     1
 ASSI {  558}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   558 spectrum    1 weight  0.11000E+01 volume  0.16221E-02 ppm1      9.188 ppm2      8.353 CV     1
 ASSI { 1811}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.200     0.600     0.600 peak  1811 spectrum    1 weight  0.11000E+01 volume  0.72297E-02 ppm1      9.188 ppm2      4.925 CV     1
 ASSI { 2435}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.500     0.800     0.800 peak  2435 spectrum    1 weight  0.11000E+01 volume  0.38027E-02 ppm1      9.188 ppm2      2.742 CV     1
 ASSI { 2642}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.800     3.800     2.200 peak  2642 spectrum    1 weight  0.11000E+01 volume  0.28538E-03 ppm1      9.188 ppm2      1.751 CV     1
 ASSI { 2734}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      4.000     2.000     2.000 peak  2734 spectrum    1 weight  0.11000E+01 volume  0.23194E-03 ppm1      9.188 ppm2      1.523 CV     1
 ASSI { 2980}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.900     1.000     1.000 peak  2980 spectrum    1 weight  0.11000E+01 volume  0.16103E-02 ppm1      9.188 ppm2      0.710 CV     1
 ASSI {    7}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak     7 spectrum    1 weight  0.11000E+01 volume  0.34030E-03 ppm1      8.723 ppm2     10.283 CV     1
 ASSI {  129}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      3.800     1.800     1.800 peak   129 spectrum    1 weight  0.11000E+01 volume  0.30561E-03 ppm1      8.733 ppm2      9.191 CV     1
 ASSI {  441}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.300     3.300     2.700 peak   441 spectrum    1 weight  0.11000E+01 volume  0.64384E-03 ppm1      8.718 ppm2      8.505 CV     1
 ASSI { 1079}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.800     0.800 peak  1079 spectrum    1 weight  0.11000E+01 volume  0.28532E-02 ppm1      8.723 ppm2      7.566 CV     1
 ASSI { 2139}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.800     1.000     1.000 peak  2139 spectrum    1 weight  0.11000E+01 volume  0.20332E-02 ppm1      8.728 ppm2      4.138 CV     1
 ASSI { 2388}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      4.100     2.100     1.900 peak  2388 spectrum    1 weight  0.11000E+01 volume  0.20296E-03 ppm1      8.723 ppm2      2.945 CV     1
 ASSI { 2439}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.500     1.500     1.500 peak  2439 spectrum    1 weight  0.11000E+01 volume  0.51785E-03 ppm1      8.728 ppm2      2.716 CV     1
 ASSI { 2482}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.100     1.200     1.200 peak  2482 spectrum    1 weight  0.11000E+01 volume  0.10974E-02 ppm1      8.728 ppm2      2.538 CV     1
 ASSI { 2603}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.700     0.900     0.900 peak  2603 spectrum    1 weight  0.11000E+01 volume  0.20894E-02 ppm1      8.728 ppm2      1.929 CV     1
 ASSI { 2922}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 95   and name HB% )
      3.500     1.600     1.600 peak  2922 spectrum    1 weight  0.11000E+01 volume  0.45453E-03 ppm1      8.728 ppm2      0.888 CV     1
 ASSI { 2987}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 97   and name HG2%)
      3.000     1.100     1.100 peak  2987 spectrum    1 weight  0.11000E+01 volume  0.12725E-02 ppm1      8.728 ppm2      0.685 CV     1
 ASSI { 2545}
   (( segid "    " and resid 93   and name HD21))
   (( segid "    " and resid 92   and name HG3 ))
      3.600     1.700     1.700 peak  2545 spectrum    1 weight  0.11000E+01 volume  0.38011E-03 ppm1      7.589 ppm2      2.208 CV     1
 ASSI {   10}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak    10 spectrum    1 weight  0.11000E+01 volume  0.36863E-03 ppm1      6.831 ppm2     10.257 CV     1
 ASSI { 2363}
   (( segid "    " and resid 93   and name HD22))
   (( segid "    " and resid 93   and name HB2 ))
      3.700     1.700     1.700 peak  2363 spectrum    1 weight  0.11000E+01 volume  0.35721E-03 ppm1      6.831 ppm2      3.046 CV     1
 ASSI { 1086}
   (( segid "    " and resid 94   and name HE21))
   (( segid "    " and resid 95   and name HN  ))
      3.400     3.400     2.600 peak  1086 spectrum    1 weight  0.11000E+01 volume  0.57705E-03 ppm1      7.667 ppm2      7.540 CV     1
 ASSI { 2563}
   (( segid "    " and resid 94   and name HE21))
   (( segid "    " and resid 94   and name HB2 ))
      3.200     1.300     1.300 peak  2563 spectrum    1 weight  0.11000E+01 volume  0.77167E-03 ppm1      7.667 ppm2      2.183 CV     1
 ASSI { 2592}
   (( segid "    " and resid 94   and name HE21))
   (( segid "    " and resid 94   and name HB3 ))
      2.600     0.900     0.900 peak  2592 spectrum    1 weight  0.11000E+01 volume  0.28145E-02 ppm1      7.662 ppm2      2.005 CV     1
 ASSI { 2698}
   (( segid "    " and resid 94   and name HE21))
   (( segid "    " and resid 94   and name HG3 ))
      3.300     1.400     1.400 peak  2698 spectrum    1 weight  0.11000E+01 volume  0.64871E-03 ppm1      7.662 ppm2      1.624 CV     1
 ASSI { 2977}
   (( segid "    " and resid 94   and name HE21))
   (  segid "    " and resid 53   and name HD1%)
      3.300     1.400     1.400 peak  2977 spectrum    1 weight  0.11000E+01 volume  0.63813E-03 ppm1      7.662 ppm2      0.710 CV     1
 ASSI { 2564}
   (( segid "    " and resid 94   and name HE22))
   (( segid "    " and resid 94   and name HB2 ))
      3.700     1.700     1.700 peak  2564 spectrum    1 weight  0.11000E+01 volume  0.32941E-03 ppm1      6.938 ppm2      2.183 CV     1
 ASSI { 2591}
   (( segid "    " and resid 94   and name HE22))
   (( segid "    " and resid 94   and name HB3 ))
      2.900     1.000     1.000 peak  2591 spectrum    1 weight  0.11000E+01 volume  0.16702E-02 ppm1      6.933 ppm2      2.005 CV     1
 ASSI {    5}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak     5 spectrum    1 weight  0.11000E+01 volume  0.18615E-02 ppm1      8.811 ppm2     10.283 CV     1
 ASSI {  889}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak   889 spectrum    1 weight  0.11000E+01 volume  0.31009E-03 ppm1      8.816 ppm2      7.769 CV     1
 ASSI { 2135}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      3.500     3.500     2.500 peak  2135 spectrum    1 weight  0.11000E+01 volume  0.48233E-03 ppm1      8.816 ppm2      4.163 CV     1
 ASSI { 2175}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.300     0.700     0.700 peak  2175 spectrum    1 weight  0.11000E+01 volume  0.54688E-02 ppm1      8.811 ppm2      3.986 CV     1
 ASSI { 2441}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB3 ))
      4.000     4.000     2.000 peak  2441 spectrum    1 weight  0.11000E+01 volume  0.21396E-03 ppm1      8.811 ppm2      2.716 CV     1
 ASSI { 2669}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      4.000     4.000     2.000 peak  2669 spectrum    1 weight  0.11000E+01 volume  0.22870E-03 ppm1      8.811 ppm2      1.726 CV     1
 ASSI { 2703}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HG3 ))
      3.000     1.100     1.100 peak  2703 spectrum    1 weight  0.11000E+01 volume  0.12009E-02 ppm1      8.811 ppm2      1.624 CV     1
 ASSI {  277}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak   277 spectrum    1 weight  0.11000E+01 volume  0.21094E-02 ppm1      7.559 ppm2      8.835 CV     1
 ASSI { 2171}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.900     1.000     1.000 peak  2171 spectrum    1 weight  0.11000E+01 volume  0.15454E-02 ppm1      7.559 ppm2      4.011 CV     1
 ASSI { 2390}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  2390 spectrum    1 weight  0.11000E+01 volume  0.88577E-03 ppm1      7.559 ppm2      2.945 CV     1
 ASSI { 2483}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 91   and name HB3 ))
      3.900     1.900     1.900 peak  2483 spectrum    1 weight  0.11000E+01 volume  0.24154E-03 ppm1      7.559 ppm2      2.538 CV     1
 ASSI { 2549}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.000     2.000     2.000 peak  2549 spectrum    1 weight  0.11000E+01 volume  0.21616E-03 ppm1      7.564 ppm2      2.208 CV     1
 ASSI { 2590}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB3 ))
      3.700     1.700     1.700 peak  2590 spectrum    1 weight  0.11000E+01 volume  0.32756E-03 ppm1      7.559 ppm2      2.005 CV     1
 ASSI { 2622}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.600     1.600     1.600 peak  2622 spectrum    1 weight  0.11000E+01 volume  0.40517E-03 ppm1      7.564 ppm2      1.802 CV     1
 ASSI { 2884}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 97   and name HG1%)
      3.500     1.500     1.500 peak  2884 spectrum    1 weight  0.11000E+01 volume  0.52393E-03 ppm1      7.559 ppm2      0.990 CV     1
 ASSI { 2924}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HB% )
      2.400     0.700     0.700 peak  2924 spectrum    1 weight  0.11000E+01 volume  0.42380E-02 ppm1      7.559 ppm2      0.863 CV     1
 ASSI { 2979}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 53   and name HD1%)
      3.900     1.900     1.900 peak  2979 spectrum    1 weight  0.11000E+01 volume  0.26856E-03 ppm1      7.564 ppm2      0.710 CV     1
 ASSI { 2238}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 90   and name HB  ))
      3.900     1.900     1.900 peak  2238 spectrum    1 weight  0.11000E+01 volume  0.24690E-03 ppm1      8.479 ppm2      3.783 CV     1
 ASSI { 2567}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB  ))
      3.700     1.700     1.700 peak  2567 spectrum    1 weight  0.11000E+01 volume  0.34197E-03 ppm1      8.469 ppm2      2.158 CV     1
 ASSI { 2585}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      4.100     2.100     1.900 peak  2585 spectrum    1 weight  0.11000E+01 volume  0.19173E-03 ppm1      8.488 ppm2      2.031 CV     1
 ASSI { 3011}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB3 ))
      3.500     1.500     1.500 peak  3011 spectrum    1 weight  0.11000E+01 volume  0.51429E-03 ppm1      8.469 ppm2      0.583 CV     1
 ASSI {  392}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.11000E+01 volume  0.18398E-02 ppm1      7.310 ppm2      8.581 CV     1
 ASSI {  453}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.200     0.600     0.600 peak   453 spectrum    1 weight  0.11000E+01 volume  0.79720E-02 ppm1      7.310 ppm2      8.480 CV     1
 ASSI { 1693}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.000     1.100     1.100 peak  1693 spectrum    1 weight  0.11000E+01 volume  0.12861E-02 ppm1      7.310 ppm2      5.611 CV     1
 ASSI { 1799}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.100     2.100     1.900 peak  1799 spectrum    1 weight  0.11000E+01 volume  0.20039E-03 ppm1      7.305 ppm2      4.976 CV     1
 ASSI { 2404}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB3 ))
      3.000     1.100     1.100 peak  2404 spectrum    1 weight  0.11000E+01 volume  0.12849E-02 ppm1      7.310 ppm2      2.894 CV     1
 ASSI { 2573}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HB  ))
      3.700     1.700     1.700 peak  2573 spectrum    1 weight  0.11000E+01 volume  0.37133E-03 ppm1      7.315 ppm2      2.158 CV     1
 ASSI { 2586}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 89   and name HB  ))
      3.400     1.500     1.500 peak  2586 spectrum    1 weight  0.11000E+01 volume  0.54476E-03 ppm1      7.310 ppm2      2.031 CV     1
 ASSI { 3000}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak  3000 spectrum    1 weight  0.11000E+01 volume  0.33964E-02 ppm1      7.310 ppm2      0.685 CV     1
 ASSI {  370}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      3.800     1.800     1.800 peak   370 spectrum    1 weight  0.11000E+01 volume  0.28733E-03 ppm1      8.034 ppm2      8.607 CV     1
 ASSI { 2154}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HA1 ))
      3.700     3.700     2.300 peak  2154 spectrum    1 weight  0.11000E+01 volume  0.34804E-03 ppm1      8.029 ppm2      4.087 CV     1
 ASSI {  243}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   243 spectrum    1 weight  0.11000E+01 volume  0.19799E-02 ppm1      6.601 ppm2      8.937 CV     1
 ASSI {  727}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak   727 spectrum    1 weight  0.11000E+01 volume  0.49950E-02 ppm1      6.601 ppm2      8.048 CV     1
 ASSI { 2088}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA2 ))
      2.700     0.900     0.900 peak  2088 spectrum    1 weight  0.11000E+01 volume  0.24667E-02 ppm1      6.601 ppm2      4.316 CV     1
 ASSI { 2119}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     2.000     2.000 peak  2119 spectrum    1 weight  0.11000E+01 volume  0.22710E-03 ppm1      6.601 ppm2      4.189 CV     1
 ASSI { 2277}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.300     1.300     1.300 peak  2277 spectrum    1 weight  0.11000E+01 volume  0.74639E-03 ppm1      6.601 ppm2      3.580 CV     1
 ASSI { 2346}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.600     0.900     0.900 peak  2346 spectrum    1 weight  0.11000E+01 volume  0.28395E-02 ppm1      6.601 ppm2      3.148 CV     1
 ASSI { 2571}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
      3.100     1.200     1.200 peak  2571 spectrum    1 weight  0.11000E+01 volume  0.96481E-03 ppm1      6.601 ppm2      2.158 CV     1
 ASSI { 2841}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB  ))
      2.400     0.700     0.700 peak  2841 spectrum    1 weight  0.11000E+01 volume  0.44111E-02 ppm1      6.601 ppm2      1.117 CV     1
 ASSI { 3005}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 100  and name HG2%)
      3.100     1.200     1.200 peak  3005 spectrum    1 weight  0.11000E+01 volume  0.92791E-03 ppm1      6.601 ppm2      0.660 CV     1
 ASSI { 1561}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.400     1.400     1.400 peak  1561 spectrum    1 weight  0.11000E+01 volume  0.62016E-03 ppm1      8.645 ppm2      6.626 CV     1
 ASSI { 2126}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  2126 spectrum    1 weight  0.11000E+01 volume  0.12054E-02 ppm1      8.640 ppm2      4.189 CV     1
 ASSI { 2583}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      2.500     2.500     3.500 peak  2583 spectrum    1 weight  0.11000E+01 volume  0.39696E-02 ppm1      8.645 ppm2      2.056 CV     1
 ASSI { 2075}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA2 ))
      2.700     0.900     0.900 peak  2075 spectrum    1 weight  0.11000E+01 volume  0.20922E-02 ppm1      8.664 ppm2      4.341 CV     1
 ASSI { 2580}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      3.300     1.300     1.300 peak  2580 spectrum    1 weight  0.11000E+01 volume  0.73227E-03 ppm1      8.664 ppm2      2.081 CV     1
 ASSI { 2757}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 86   and name HB3 ))
      3.900     1.900     1.900 peak  2757 spectrum    1 weight  0.11000E+01 volume  0.24203E-03 ppm1      8.664 ppm2      1.396 CV     1
 ASSI { 2820}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HG1%)
      3.500     1.500     1.500 peak  2820 spectrum    1 weight  0.11000E+01 volume  0.50650E-03 ppm1      8.664 ppm2      1.193 CV     1
 ASSI { 2863}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HG2%)
      2.600     0.900     0.900 peak  2863 spectrum    1 weight  0.11000E+01 volume  0.27005E-02 ppm1      8.664 ppm2      1.040 CV     1
 ASSI { 3032}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     1.700     1.700 peak  3032 spectrum    1 weight  0.11000E+01 volume  0.34638E-03 ppm1      8.664 ppm2      0.431 CV     1
 ASSI {  329}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak   329 spectrum    1 weight  0.11000E+01 volume  0.13562E-02 ppm1      7.242 ppm2      8.683 CV     1
 ASSI {  559}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      3.700     1.700     1.700 peak   559 spectrum    1 weight  0.11000E+01 volume  0.33550E-03 ppm1      7.237 ppm2      8.353 CV     1
 ASSI { 1822}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak  1822 spectrum    1 weight  0.11000E+01 volume  0.25793E-03 ppm1      7.237 ppm2      4.900 CV     1
 ASSI { 2099}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.400     0.700     0.700 peak  2099 spectrum    1 weight  0.11000E+01 volume  0.41651E-02 ppm1      7.242 ppm2      4.316 CV     1
 ASSI { 2865}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 102  and name HG2%)
      3.700     1.700     1.700 peak  2865 spectrum    1 weight  0.11000E+01 volume  0.33613E-03 ppm1      7.237 ppm2      1.040 CV     1
 ASSI { 2952}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 59   and name HD1%)
      3.800     1.900     1.900 peak  2952 spectrum    1 weight  0.11000E+01 volume  0.27539E-03 ppm1      7.242 ppm2      0.812 CV     1
 ASSI { 2275}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB3 ))
      3.400     1.400     1.400 peak  2275 spectrum    1 weight  0.11000E+01 volume  0.59533E-03 ppm1      8.356 ppm2      3.605 CV     1
 ASSI { 2449}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB3 ))
      2.500     0.800     0.800 peak  2449 spectrum    1 weight  0.11000E+01 volume  0.32987E-02 ppm1      8.347 ppm2      2.665 CV     1
 ASSI { 2752}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      4.000     2.000     2.000 peak  2752 spectrum    1 weight  0.11000E+01 volume  0.22693E-03 ppm1      8.347 ppm2      1.396 CV     1
 ASSI {  910}
   (( segid "    " and resid 1    and name HG2 ))
   (( segid "    " and resid 1    and name HA  ))
      3.500     1.600     1.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.45832E-03 ppm1      2.611 ppm2      4.143 CV     1
 ASSI {  911}
   (( segid "    " and resid 1    and name HG3 ))
   (( segid "    " and resid 1    and name HA  ))
      3.500     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.48432E-03 ppm1      2.564 ppm2      4.149 CV     1
 ASSI {  912}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 1    and name HA  ))
      2.900     2.900     3.100 peak   912 spectrum    1 weight  0.10000E+01 volume  0.14136E-02 ppm1      4.669 ppm2      4.146 CV     1
 ASSI {  913}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.400     0.700     0.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.45388E-02 ppm1      4.145 ppm2      2.135 CV     1
 OR {  913}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
 ASSI {  916}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HG3 ))
      2.900     1.000     1.000 peak   916 spectrum    1 weight  0.10000E+01 volume  0.16139E-02 ppm1      2.160 ppm2      2.502 CV     1
 OR {  916}
   (( segid "    " and resid 1    and name HB3 ))
   (( segid "    " and resid 1    and name HG3 ))
 ASSI {  920}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.29727E-02 ppm1      2.181 ppm2      4.646 CV     1
 ASSI {  921}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   921 spectrum    1 weight  0.10000E+01 volume  0.36479E-02 ppm1      2.442 ppm2      4.643 CV     1
 OR {  921}
   (( segid "    " and resid 2    and name HG3 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  930}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   930 spectrum    1 weight  0.10000E+01 volume  0.48040E-02 ppm1      0.987 ppm2      4.801 CV     1
 ASSI {  931}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.200     0.600     0.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.73332E-02 ppm1      4.814 ppm2      3.125 CV     1
 ASSI {  933}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.000     0.500     0.500 peak   933 spectrum    1 weight  0.10000E+01 volume  0.14286E-01 ppm1      2.870 ppm2      3.146 CV     1
 ASSI {  934}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      2.200     0.600     0.600 peak   934 spectrum    1 weight  0.10000E+01 volume  0.72887E-02 ppm1      4.814 ppm2      2.858 CV     1
 ASSI {  937}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 3    and name HB3 ))
      2.900     1.000     1.000 peak   937 spectrum    1 weight  0.10000E+01 volume  0.16117E-02 ppm1      0.985 ppm2      2.872 CV     1
 ASSI {  939}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.700     1.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.38356E-03 ppm1      2.054 ppm2      7.945 CV     1
 ASSI {  940}
   (( segid "    " and resid 2    and name HG3 ))
   (( segid "    " and resid 3    and name HN  ))
      3.700     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.36488E-03 ppm1      2.437 ppm2      7.931 CV     1
 OR {  940}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  941}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.900     0.900 peak   941 spectrum    1 weight  0.10000E+01 volume  0.25958E-02 ppm1      4.815 ppm2      7.919 CV     1
 ASSI {  945}
   (( segid "    " and resid 97   and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak   945 spectrum    1 weight  0.10000E+01 volume  0.41660E-03 ppm1      2.170 ppm2      7.942 CV     1
 ASSI {  947}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   947 spectrum    1 weight  0.10000E+01 volume  0.31176E-02 ppm1      3.344 ppm2      5.472 CV     1
 ASSI {  948}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.23956E-02 ppm1      3.183 ppm2      5.458 CV     1
 ASSI {  951}
   (  segid "    " and resid 95   and name HB% )
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   951 spectrum    1 weight  0.10000E+01 volume  0.10741E-02 ppm1      0.874 ppm2      5.449 CV     1
 ASSI {  955}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.100     0.500     0.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.11269E-01 ppm1      3.184 ppm2      3.327 CV     1
 ASSI {  957}
   (  segid "    " and resid 95   and name HB% )
   (( segid "    " and resid 4    and name HB2 ))
      2.300     0.600     0.600 peak   957 spectrum    1 weight  0.10000E+01 volume  0.65941E-02 ppm1      0.872 ppm2      3.328 CV     1
 ASSI {  958}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak   958 spectrum    1 weight  0.10000E+01 volume  0.64995E-03 ppm1      0.985 ppm2      3.334 CV     1
 ASSI {  964}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HE1 ))
      4.500     2.500     1.500 peak   964 spectrum    1 weight  0.10000E+01 volume  0.11058E-03 ppm1      3.344 ppm2     10.281 CV     1
 ASSI {  965}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HE1 ))
      4.200     2.200     1.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.17120E-03 ppm1      3.179 ppm2     10.270 CV     1
 ASSI {  967}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.900     1.900     1.900 peak   967 spectrum    1 weight  0.10000E+01 volume  0.27502E-03 ppm1      1.240 ppm2     10.271 CV     1
 OR {  967}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 4    and name HE1 ))
 ASSI {  968}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.300     1.400     1.400 peak   968 spectrum    1 weight  0.10000E+01 volume  0.66978E-03 ppm1      1.240 ppm2     10.290 CV     1
 ASSI {  969}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.300     1.300     1.300 peak   969 spectrum    1 weight  0.10000E+01 volume  0.74185E-03 ppm1      1.149 ppm2     10.274 CV     1
 ASSI {  970}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.500     1.500     1.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.47507E-03 ppm1      2.396 ppm2     10.287 CV     1
 ASSI {  971}
   (( segid "    " and resid 46   and name HE3 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.100     1.200     1.200 peak   971 spectrum    1 weight  0.10000E+01 volume  0.92244E-03 ppm1      2.216 ppm2     10.277 CV     1
 ASSI {  972}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 4    and name HE1 ))
      4.100     2.100     1.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.18507E-03 ppm1     -0.146 ppm2     10.280 CV     1
 ASSI {  974}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 4    and name HE3 ))
      3.900     1.900     1.900 peak   974 spectrum    1 weight  0.10000E+01 volume  0.24339E-03 ppm1      2.863 ppm2      8.177 CV     1
 ASSI {  975}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 4    and name HE3 ))
      3.900     1.900     1.900 peak   975 spectrum    1 weight  0.10000E+01 volume  0.27148E-03 ppm1      1.192 ppm2      8.197 CV     1
 ASSI {  977}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 4    and name HH2 ))
      3.300     1.300     1.300 peak   977 spectrum    1 weight  0.10000E+01 volume  0.74115E-03 ppm1      1.247 ppm2      7.195 CV     1
 OR {  977}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 4    and name HH2 ))
 ASSI {  979}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 4    and name HH2 ))
      3.300     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.75257E-03 ppm1      2.292 ppm2      7.172 CV     1
 ASSI {  980}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 4    and name HH2 ))
      3.300     1.300     1.300 peak   980 spectrum    1 weight  0.10000E+01 volume  0.71261E-03 ppm1      2.870 ppm2      7.103 CV     1
 ASSI {  982}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.900     0.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.27162E-02 ppm1      2.849 ppm2      8.900 CV     1
 ASSI {  983}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   983 spectrum    1 weight  0.10000E+01 volume  0.22003E-02 ppm1      5.478 ppm2      8.921 CV     1
 ASSI {  985}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   985 spectrum    1 weight  0.10000E+01 volume  0.36735E-02 ppm1      3.181 ppm2      8.922 CV     1
 ASSI {  986}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.16466E-02 ppm1      0.989 ppm2      8.922 CV     1
 ASSI {  990}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 4    and name HZ2 ))
      3.400     1.500     1.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.56239E-03 ppm1      2.284 ppm2      7.315 CV     1
 ASSI {  992}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 4    and name HZ2 ))
      3.900     1.900     1.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.24394E-03 ppm1     -0.148 ppm2      7.317 CV     1
 ASSI {  994}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 4    and name HZ3 ))
      3.400     1.400     1.400 peak   994 spectrum    1 weight  0.10000E+01 volume  0.58760E-03 ppm1      2.866 ppm2      6.833 CV     1
 ASSI {  997}
   (( segid "    " and resid 5    and name HB3 ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.43323E-02 ppm1      1.573 ppm2      3.697 CV     1
 ASSI {  998}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.48614E-02 ppm1      0.878 ppm2      3.686 CV     1
 ASSI {  999}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.45817E-02 ppm1      0.827 ppm2      3.691 CV     1
 ASSI { 1000}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.200     1.200 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.11455E-02 ppm1      1.600 ppm2      3.681 CV     1
 ASSI { 1002}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.300     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.53392E-02 ppm1      3.714 ppm2      1.711 CV     1
 ASSI { 1006}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB3 ))
      2.200     0.600     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.70940E-02 ppm1      0.830 ppm2      1.585 CV     1
 ASSI { 1008}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     2.900     3.100 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.14664E-02 ppm1      1.548 ppm2      0.855 CV     1
 ASSI { 1012}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HG  ))
      3.800     1.800     1.800 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.31044E-03 ppm1      3.188 ppm2      1.621 CV     1
 ASSI { 1014}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.500     1.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.56381E-03 ppm1      3.151 ppm2      8.056 CV     1
 ASSI { 1015}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.99785E-03 ppm1      3.343 ppm2      8.086 CV     1
 ASSI { 1020}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.18104E-02 ppm1      1.606 ppm2      8.074 CV     1
 ASSI { 1022}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.16421E-02 ppm1      4.325 ppm2      3.688 CV     1
 ASSI { 1023}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.400     0.700     0.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.51023E-02 ppm1      1.256 ppm2      3.684 CV     1
 ASSI { 1024}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.12816E-02 ppm1      1.567 ppm2      3.662 CV     1
 OR { 1024}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI { 1027}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
      3.800     1.800     1.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.27849E-03 ppm1      3.689 ppm2      4.335 CV     1
 ASSI { 1028}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 6    and name HB  ))
      3.500     1.500     1.500 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.47775E-03 ppm1      3.153 ppm2      4.347 CV     1
 ASSI { 1031}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.800     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.19993E-02 ppm1      4.076 ppm2      1.286 CV     1
 ASSI { 1032}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.21837E-03 ppm1      3.171 ppm2      8.547 CV     1
 ASSI { 1037}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.16851E-02 ppm1      3.679 ppm2      4.048 CV     1
 ASSI { 1039}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 7    and name HA  ))
      3.400     1.500     1.500 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.53497E-03 ppm1      1.457 ppm2      4.076 CV     1
 OR { 1039}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1040}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.800     0.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.30877E-02 ppm1      5.476 ppm2      3.660 CV     1
 ASSI { 1043}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.200     0.600     0.600 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.78603E-02 ppm1      3.148 ppm2      3.658 CV     1
 ASSI { 1045}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.44625E-02 ppm1      5.477 ppm2      3.144 CV     1
 ASSI { 1046}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.500     0.800     0.800 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.33629E-02 ppm1      4.076 ppm2      3.134 CV     1
 ASSI { 1055}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     1.100     1.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      5.476 ppm2      8.483 CV     1
 ASSI { 1056}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.800     0.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.31244E-02 ppm1      4.315 ppm2      8.497 CV     1
 ASSI { 1059}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 7    and name HZ  ))
      2.600     0.800     0.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.31290E-02 ppm1      0.372 ppm2      6.855 CV     1
 ASSI { 1060}
   (  segid "    " and resid 89   and name HG1%)
   (( segid "    " and resid 7    and name HZ  ))
      2.300     0.700     0.700 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.58576E-02 ppm1      1.033 ppm2      6.831 CV     1
 ASSI { 1061}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 7    and name HZ  ))
      3.300     1.400     1.400 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.71012E-03 ppm1      1.186 ppm2      6.872 CV     1
 ASSI { 1062}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 7    and name HZ  ))
      2.900     2.900     3.100 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.15808E-02 ppm1      1.635 ppm2      6.838 CV     1
 ASSI { 1065}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.23284E-02 ppm1      2.199 ppm2      3.504 CV     1
 ASSI { 1066}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.32471E-02 ppm1      1.082 ppm2      3.504 CV     1
 ASSI { 1067}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.16040E-02 ppm1      1.649 ppm2      3.509 CV     1
 ASSI { 1068}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.18702E-02 ppm1      1.309 ppm2      3.514 CV     1
 ASSI { 1069}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.500     0.800     0.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.36119E-02 ppm1      3.523 ppm2      1.776 CV     1
 ASSI { 1071}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.300     0.700     0.700 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.53933E-02 ppm1      1.249 ppm2      1.733 CV     1
 OR { 1071}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1072}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.52951E-02 ppm1      3.522 ppm2      1.639 CV     1
 ASSI { 1074}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HB3 ))
      2.400     0.700     0.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.48813E-02 ppm1      1.246 ppm2      1.638 CV     1
 OR { 1074}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI { 1075}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HE21))
      2.700     0.900     0.900 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.22709E-02 ppm1      3.714 ppm2      6.564 CV     1
 ASSI { 1076}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 8    and name HE21))
      3.900     1.900     1.900 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.25021E-03 ppm1      1.736 ppm2      6.571 CV     1
 ASSI { 1077}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 8    and name HE21))
      3.200     1.300     1.300 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.76396E-03 ppm1      0.879 ppm2      6.572 CV     1
 ASSI { 1078}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HE21))
      2.800     0.900     0.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.20485E-02 ppm1      1.249 ppm2      6.573 CV     1
 ASSI { 1080}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HG3 ))
      3.000     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.12713E-02 ppm1      3.712 ppm2      1.247 CV     1
 ASSI { 1081}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG2 ))
      2.300     0.600     0.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.68340E-02 ppm1      3.522 ppm2      1.238 CV     1
 OR { 1081}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG3 ))
 ASSI { 1084}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 8    and name HG2 ))
      2.600     0.900     0.900 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.26100E-02 ppm1      2.200 ppm2      1.242 CV     1
 ASSI { 1085}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.95206E-03 ppm1      3.711 ppm2      8.268 CV     1
 ASSI { 1086}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.96059E-03 ppm1      4.076 ppm2      8.260 CV     1
 ASSI { 1087}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.22152E-02 ppm1      3.677 ppm2      8.249 CV     1
 ASSI { 1088}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.14684E-02 ppm1      3.149 ppm2      8.254 CV     1
 ASSI { 1089}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.44189E-02 ppm1      3.522 ppm2      8.261 CV     1
 ASSI { 1090}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.32805E-02 ppm1      1.752 ppm2      8.289 CV     1
 ASSI { 1091}
   (( segid "    " and resid 8    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.44032E-02 ppm1      1.247 ppm2      8.247 CV     1
 ASSI { 1093}
   (( segid "    " and resid 9    and name HD3 ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      1.563 ppm2      3.926 CV     1
 OR { 1093}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1094}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.18654E-02 ppm1      1.550 ppm2      3.924 CV     1
 ASSI { 1096}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     2.400     3.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.42395E-02 ppm1      1.419 ppm2      1.781 CV     1
 OR { 1096}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1097}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.200     0.600     0.600 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.72079E-02 ppm1      3.945 ppm2      1.719 CV     1
 ASSI { 1099}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 9    and name HB3 ))
      2.500     0.800     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.37387E-02 ppm1      0.473 ppm2      1.689 CV     1
 ASSI { 1101}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD2 ))
      2.000     0.500     0.500 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.14457E-01 ppm1      2.838 ppm2      1.550 CV     1
 OR { 1101}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR { 1101}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HD3 ))
 OR { 1101}
   (( segid "    " and resid 9    and name HE3 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI { 1105}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG3 ))
      2.500     0.800     0.800 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.34784E-02 ppm1      3.945 ppm2      1.416 CV     1
 ASSI { 1107}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.37597E-03 ppm1      3.716 ppm2      7.508 CV     1
 ASSI { 1109}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.93653E-03 ppm1      3.521 ppm2      7.500 CV     1
 ASSI { 1110}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.16313E-02 ppm1      1.781 ppm2      7.501 CV     1
 ASSI { 1111}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.22941E-02 ppm1      1.646 ppm2      7.501 CV     1
 ASSI { 1112}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.46276E-02 ppm1      3.946 ppm2      7.503 CV     1
 ASSI { 1115}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.900     0.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.26391E-02 ppm1      1.554 ppm2      7.497 CV     1
 ASSI { 1116}
   (( segid "    " and resid 9    and name HG3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.16404E-02 ppm1      1.420 ppm2      7.502 CV     1
 ASSI { 1118}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.900     1.100     1.100 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.14572E-02 ppm1      1.310 ppm2      4.074 CV     1
 ASSI { 1120}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.12932E-02 ppm1      1.381 ppm2      4.094 CV     1
 ASSI { 1123}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.75039E-02 ppm1      0.970 ppm2      1.297 CV     1
 ASSI { 1124}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.400     1.400     1.400 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.59225E-03 ppm1      4.068 ppm2      0.970 CV     1
 ASSI { 1125}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     0.800     0.800 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.32350E-02 ppm1      4.096 ppm2      0.954 CV     1
 ASSI { 1130}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HE2 ))
      3.500     1.500     1.500 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.49181E-03 ppm1      0.969 ppm2      2.643 CV     1
 ASSI { 1131}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HE2 ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.19857E-02 ppm1      1.428 ppm2      2.597 CV     1
 OR { 1131}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HE2 ))
 ASSI { 1133}
   (( segid "    " and resid 10   and name HE3 ))
   (( segid "    " and resid 10   and name HE2 ))
      2.100     0.600     0.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.91067E-02 ppm1      2.434 ppm2      2.618 CV     1
 ASSI { 1134}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HE3 ))
      3.100     1.200     1.200 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.92854E-03 ppm1      1.455 ppm2      2.420 CV     1
 OR { 1134}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HE3 ))
 ASSI { 1138}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.200     0.600     0.600 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.73418E-02 ppm1      0.368 ppm2      1.363 CV     1
 ASSI { 1139}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      2.500     0.800     0.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.37138E-02 ppm1      4.095 ppm2      0.367 CV     1
 ASSI { 1140}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HG3 ))
      3.000     1.100     1.100 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.12424E-02 ppm1      0.967 ppm2      0.366 CV     1
 ASSI { 1141}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG3 ))
      2.600     0.900     0.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.26820E-02 ppm1      1.456 ppm2      0.366 CV     1
 OR { 1141}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HG3 ))
 ASSI { 1144}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.53341E-03 ppm1      3.701 ppm2      7.971 CV     1
 ASSI { 1145}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.70722E-03 ppm1      1.640 ppm2      7.993 CV     1
 ASSI { 1146}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.10780E-02 ppm1      3.945 ppm2      7.973 CV     1
 ASSI { 1148}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.12154E-02 ppm1      1.698 ppm2      7.957 CV     1
 ASSI { 1151}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.100     1.200     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.96122E-03 ppm1      0.973 ppm2      7.960 CV     1
 ASSI { 1152}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.500     1.500     1.500 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.50118E-03 ppm1      1.446 ppm2      7.946 CV     1
 OR { 1152}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1154}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.65913E-03 ppm1      0.367 ppm2      7.958 CV     1
 ASSI { 1156}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.50399E-02 ppm1      4.535 ppm2      2.566 CV     1
 ASSI { 1159}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.400     1.400     1.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.57768E-03 ppm1      1.752 ppm2      2.567 CV     1
 ASSI { 1160}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
      2.600     0.800     0.800 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      0.370 ppm2      2.562 CV     1
 ASSI { 1161}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.500     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.36870E-02 ppm1      4.535 ppm2      1.762 CV     1
 ASSI { 1162}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      2.000     0.500     0.500 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.12413E-01 ppm1      2.589 ppm2      1.756 CV     1
 ASSI { 1165}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.500     1.600     1.600 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.46434E-03 ppm1      1.648 ppm2      7.752 CV     1
 ASSI { 1168}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1      4.526 ppm2      7.764 CV     1
 ASSI { 1169}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.10470E-02 ppm1      2.592 ppm2      7.758 CV     1
 ASSI { 1171}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 12   and name HA  ))
      3.900     1.900     1.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.26226E-03 ppm1      3.524 ppm2      5.069 CV     1
 ASSI { 1173}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.15640E-02 ppm1      2.198 ppm2      5.066 CV     1
 ASSI { 1174}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.31292E-02 ppm1      1.083 ppm2      5.064 CV     1
 ASSI { 1175}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.79268E-03 ppm1      1.634 ppm2      5.075 CV     1
 ASSI { 1177}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.600     0.600 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.65891E-02 ppm1      1.033 ppm2      5.069 CV     1
 ASSI { 1178}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.700     2.700     3.300 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.21372E-02 ppm1      1.057 ppm2      5.076 CV     1
 ASSI { 1185}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB  ))
      2.400     2.400     3.600 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.45265E-02 ppm1      1.085 ppm2      2.170 CV     1
 ASSI { 1186}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.000     0.500     0.500 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.12323E-01 ppm1      1.034 ppm2      2.182 CV     1
 ASSI { 1189}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      2.300     0.600     0.600 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.64802E-02 ppm1      4.437 ppm2      1.053 CV     1
 ASSI { 1190}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HG12))
      2.600     0.800     0.800 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.31329E-02 ppm1      2.201 ppm2      1.620 CV     1
 ASSI { 1191}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG12))
      2.300     0.700     0.700 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.59874E-02 ppm1      1.084 ppm2      1.615 CV     1
 ASSI { 1193}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG12))
      2.600     0.800     0.800 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.29453E-02 ppm1      1.038 ppm2      1.629 CV     1
 ASSI { 1194}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG13))
      2.600     0.800     0.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.28970E-02 ppm1      5.090 ppm2      1.270 CV     1
 ASSI { 1196}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG13))
      2.400     0.700     0.700 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.47945E-02 ppm1      1.038 ppm2      1.289 CV     1
 ASSI { 1200}
   (( segid "    " and resid 42   and name HD2 ))
   (  segid "    " and resid 12   and name HG2%)
      3.100     1.200     1.200 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.10723E-02 ppm1      3.944 ppm2      1.031 CV     1
 ASSI { 1202}
   (( segid "    " and resid 42   and name HG2 ))
   (  segid "    " and resid 12   and name HG2%)
      3.000     1.100     1.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      2.285 ppm2      1.029 CV     1
 ASSI { 1203}
   (( segid "    " and resid 42   and name HG3 ))
   (  segid "    " and resid 12   and name HG2%)
      2.800     1.000     1.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.17861E-02 ppm1      2.127 ppm2      1.026 CV     1
 ASSI { 1204}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.17020E-02 ppm1      5.090 ppm2      8.291 CV     1
 ASSI { 1206}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.12536E-02 ppm1      1.082 ppm2      8.285 CV     1
 ASSI { 1208}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.100     1.100 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.13969E-02 ppm1      1.034 ppm2      8.290 CV     1
 ASSI { 1209}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     3.100     2.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.10444E-02 ppm1      3.687 ppm2      8.270 CV     1
 ASSI { 1212}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      3.800     1.800     1.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.30145E-03 ppm1      5.079 ppm2      3.683 CV     1
 ASSI { 1213}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      2.200     0.600     0.600 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.80115E-02 ppm1      5.037 ppm2      3.667 CV     1
 ASSI { 1215}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HB  ))
      2.200     0.600     0.600 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.75824E-02 ppm1      1.056 ppm2      3.666 CV     1
 ASSI { 1216}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 13   and name HB  ))
      2.700     0.900     0.900 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.21115E-02 ppm1      2.542 ppm2      3.667 CV     1
 ASSI { 1219}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      3.300     1.300     1.300 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.71452E-03 ppm1      3.136 ppm2      1.045 CV     1
 ASSI { 1220}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 13   and name HG2%)
      2.300     0.700     0.700 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.59153E-02 ppm1      0.386 ppm2      1.016 CV     1
 ASSI { 1221}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.400     0.700     0.700 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.52360E-02 ppm1      5.408 ppm2      1.040 CV     1
 ASSI { 1222}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.100     0.600     0.600 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.10111E-01 ppm1      5.089 ppm2      8.582 CV     1
 ASSI { 1223}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.49765E-03 ppm1      2.204 ppm2      8.577 CV     1
 ASSI { 1224}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.62397E-03 ppm1      1.084 ppm2      8.579 CV     1
 ASSI { 1225}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.44370E-03 ppm1      1.293 ppm2      8.578 CV     1
 ASSI { 1226}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      3.000     1.100     1.100 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.11783E-02 ppm1      3.689 ppm2      8.569 CV     1
 ASSI { 1228}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.99911E-03 ppm1      5.408 ppm2      8.574 CV     1
 ASSI { 1229}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.000     1.000 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.15195E-02 ppm1      1.058 ppm2      4.945 CV     1
 ASSI { 1231}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.200     0.600     0.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.73801E-02 ppm1      3.018 ppm2      4.900 CV     1
 ASSI { 1232}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.700     0.700 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.63093E-02 ppm1      2.811 ppm2      4.894 CV     1
 ASSI { 1234}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.800     0.400     0.400 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.27201E-01 ppm1      2.817 ppm2      3.000 CV     1
 ASSI { 1238}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HD21))
      2.800     1.000     1.000 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.18213E-02 ppm1      3.013 ppm2      7.479 CV     1
 ASSI { 1239}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HD22))
      3.100     1.200     1.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.97307E-03 ppm1      2.819 ppm2      6.778 CV     1
 ASSI { 1240}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.100     0.500     0.500 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      5.037 ppm2      8.261 CV     1
 ASSI { 1241}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.24715E-02 ppm1      4.918 ppm2      8.257 CV     1
 ASSI { 1242}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.16413E-02 ppm1      3.023 ppm2      8.263 CV     1
 ASSI { 1243}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.15232E-02 ppm1      2.818 ppm2      8.247 CV     1
 ASSI { 1246}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.27277E-02 ppm1      0.803 ppm2      4.431 CV     1
 ASSI { 1247}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      2.300     0.600     0.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.65019E-02 ppm1      4.453 ppm2      3.906 CV     1
 ASSI { 1249}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.89085E-02 ppm1      0.801 ppm2      3.907 CV     1
 ASSI { 1253}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.200     1.200 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.11211E-02 ppm1      5.035 ppm2      7.939 CV     1
 ASSI { 1255}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.17581E-02 ppm1      1.061 ppm2      7.920 CV     1
 ASSI { 1256}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.000     1.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.15365E-02 ppm1      4.916 ppm2      7.920 CV     1
 ASSI { 1257}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.33080E-02 ppm1      4.452 ppm2      7.901 CV     1
 ASSI { 1258}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.16763E-02 ppm1      3.926 ppm2      7.900 CV     1
 ASSI { 1259}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.87447E-02 ppm1      0.801 ppm2      7.899 CV     1
 ASSI { 1263}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.100     1.200     1.200 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      1.013 ppm2      3.524 CV     1
 ASSI { 1264}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.49969E-02 ppm1      3.539 ppm2      1.341 CV     1
 ASSI { 1267}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.300     0.600     0.600 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.63890E-02 ppm1      3.539 ppm2      0.947 CV     1
 ASSI { 1268}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.000     0.500     0.500 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.13226E-01 ppm1      1.358 ppm2      0.937 CV     1
 ASSI { 1270}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.200     0.600     0.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.88469E-02 ppm1      2.721 ppm2      0.939 CV     1
 ASSI { 1271}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
      2.400     0.700     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.42954E-02 ppm1      3.539 ppm2      2.667 CV     1
 ASSI { 1274}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
      2.600     0.800     0.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.32122E-02 ppm1      1.011 ppm2      2.743 CV     1
 OR { 1274}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR { 1274}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 1275}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HE  ))
      2.600     0.900     0.900 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.27630E-02 ppm1      2.718 ppm2      6.992 CV     1
 OR { 1275}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE  ))
 ASSI { 1276}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 16   and name HE  ))
      3.600     1.600     1.600 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.42895E-03 ppm1      1.770 ppm2      7.042 CV     1
 OR { 1276}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 16   and name HE  ))
 ASSI { 1277}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 16   and name HE  ))
      3.600     1.600     1.600 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.41606E-03 ppm1      1.551 ppm2      7.008 CV     1
 ASSI { 1278}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.100     1.200     1.200 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.98457E-03 ppm1      4.452 ppm2      0.965 CV     1
 ASSI { 1280}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HH12))
      3.300     1.400     1.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.67144E-03 ppm1      3.538 ppm2      6.846 CV     1
 ASSI { 1281}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HH12))
      2.400     0.700     0.700 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.47550E-02 ppm1      2.718 ppm2      6.837 CV     1
 ASSI { 1282}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 16   and name HH12))
      2.900     1.100     1.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.13687E-02 ppm1      3.158 ppm2      6.847 CV     1
 ASSI { 1283}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 16   and name HH12))
      3.000     1.100     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.12962E-02 ppm1      2.608 ppm2      6.846 CV     1
 ASSI { 1284}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 16   and name HH11))
      3.000     1.100     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.13191E-02 ppm1      4.897 ppm2      6.841 CV     1
 OR { 1284}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 16   and name HH12))
 ASSI { 1285}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 16   and name HH12))
      3.100     1.200     1.200 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      3.560 ppm2      6.850 CV     1
 OR { 1285}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 16   and name HH11))
 ASSI { 1286}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 16   and name HH11))
      4.000     2.000     2.000 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.21796E-03 ppm1      5.090 ppm2      6.817 CV     1
 OR { 1286}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 16   and name HH12))
 OR { 1286}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 16   and name HH21))
 ASSI { 1287}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 16   and name HH11))
      3.100     1.200     1.200 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.93501E-03 ppm1      5.220 ppm2      6.840 CV     1
 OR { 1287}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 16   and name HH21))
 ASSI { 1288}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 16   and name HH11))
      3.500     1.500     1.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.51335E-03 ppm1      4.796 ppm2      6.846 CV     1
 OR { 1288}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 16   and name HH21))
 ASSI { 1289}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 16   and name HH11))
      3.700     1.700     1.700 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.35147E-03 ppm1      5.436 ppm2      6.847 CV     1
 OR { 1289}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 16   and name HH12))
 OR { 1289}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 16   and name HH21))
 ASSI { 1290}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.100     0.600     0.600 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.99390E-02 ppm1      4.452 ppm2      8.469 CV     1
 ASSI { 1291}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.24740E-02 ppm1      3.540 ppm2      8.456 CV     1
 ASSI { 1293}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.18149E-02 ppm1      0.939 ppm2      8.480 CV     1
 ASSI { 1294}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.26065E-03 ppm1      2.235 ppm2      8.472 CV     1
 ASSI { 1296}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.700     0.700 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.61398E-02 ppm1      2.427 ppm2      4.577 CV     1
 ASSI { 1297}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.29576E-02 ppm1      2.229 ppm2      4.571 CV     1
 ASSI { 1298}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      2.100     0.600     0.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.97487E-02 ppm1      1.038 ppm2      4.568 CV     1
 ASSI { 1299}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 17   and name HA  ))
      2.600     0.800     0.800 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.29107E-02 ppm1      0.940 ppm2      4.597 CV     1
 ASSI { 1302}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.800     0.400     0.400 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.23196E-01 ppm1      2.228 ppm2      2.395 CV     1
 ASSI { 1303}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.200     3.200     2.800 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.79701E-03 ppm1      3.138 ppm2      2.427 CV     1
 ASSI { 1309}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.29113E-02 ppm1      2.415 ppm2      7.872 CV     1
 ASSI { 1310}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.42602E-02 ppm1      2.228 ppm2      7.874 CV     1
 ASSI { 1311}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.48576E-02 ppm1      0.807 ppm2      3.140 CV     1
 ASSI { 1314}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      2.300     2.300     3.700 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.54347E-02 ppm1      0.386 ppm2      3.130 CV     1
 ASSI { 1315}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.47149E-02 ppm1     -0.048 ppm2      3.124 CV     1
 ASSI { 1316}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB  ))
      2.700     0.900     0.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.23613E-02 ppm1      3.135 ppm2      1.268 CV     1
 ASSI { 1318}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.600     0.600 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.96086E-02 ppm1      0.387 ppm2      1.275 CV     1
 ASSI { 1319}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HB  ))
      2.100     0.600     0.600 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.94201E-02 ppm1     -0.052 ppm2      1.285 CV     1
 ASSI { 1320}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.700     3.700     2.300 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.33645E-03 ppm1      5.037 ppm2      0.369 CV     1
 ASSI { 1321}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 18   and name HG1%)
      2.900     1.100     1.100 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.14625E-02 ppm1      3.686 ppm2      0.363 CV     1
 ASSI { 1325}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 18   and name HG1%)
      2.000     0.500     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.12724E-01 ppm1     -0.053 ppm2      0.346 CV     1
 ASSI { 1326}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.200     1.200     1.200 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.90268E-03 ppm1      3.537 ppm2      0.363 CV     1
 ASSI { 1327}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 18   and name HG1%)
      2.600     0.800     0.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.29741E-02 ppm1      2.922 ppm2      0.394 CV     1
 ASSI { 1328}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 18   and name HG1%)
      3.900     1.900     1.900 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.26032E-03 ppm1      5.096 ppm2      0.379 CV     1
 ASSI { 1331}
   (  segid "    " and resid 80   and name HD2%)
   (  segid "    " and resid 18   and name HG1%)
      2.600     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.26400E-02 ppm1      0.946 ppm2      0.355 CV     1
 ASSI { 1332}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      3.700     1.700     1.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.37475E-03 ppm1      3.686 ppm2     -0.058 CV     1
 ASSI { 1336}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 18   and name HG2%)
      2.400     0.700     0.700 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.49054E-02 ppm1      3.542 ppm2     -0.055 CV     1
 ASSI { 1337}
   (( segid "    " and resid 23   and name HB  ))
   (  segid "    " and resid 18   and name HG2%)
      2.900     1.000     1.000 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.15848E-02 ppm1      1.372 ppm2     -0.049 CV     1
 ASSI { 1339}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 18   and name HG2%)
      2.400     0.700     0.700 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.46373E-02 ppm1      0.677 ppm2     -0.049 CV     1
 ASSI { 1340}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.12370E-02 ppm1      2.921 ppm2     -0.058 CV     1
 ASSI { 1341}
   (( segid "    " and resid 67   and name HB2 ))
   (  segid "    " and resid 18   and name HG2%)
      4.200     2.200     1.800 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.16774E-03 ppm1      3.911 ppm2     -0.068 CV     1
 ASSI { 1342}
   (( segid "    " and resid 67   and name HB3 ))
   (  segid "    " and resid 18   and name HG2%)
      4.200     2.200     1.800 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.16150E-03 ppm1      3.697 ppm2     -0.064 CV     1
 ASSI { 1343}
   (  segid "    " and resid 80   and name HD2%)
   (  segid "    " and resid 18   and name HG2%)
      3.000     1.100     1.100 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.12879E-02 ppm1      0.944 ppm2     -0.074 CV     1
 ASSI { 1344}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.37398E-03 ppm1      3.536 ppm2      6.512 CV     1
 ASSI { 1346}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.400     1.400 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.58873E-03 ppm1      2.414 ppm2      6.504 CV     1
 ASSI { 1347}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.600     1.600 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.46678E-03 ppm1      2.235 ppm2      6.501 CV     1
 ASSI { 1350}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.100     1.100 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.14546E-02 ppm1     -0.048 ppm2      6.504 CV     1
 ASSI { 1353}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.38717E-02 ppm1      0.938 ppm2      6.507 CV     1
 ASSI { 1354}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     3.000     3.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.11557E-02 ppm1      3.135 ppm2      4.595 CV     1
 ASSI { 1355}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.17329E-02 ppm1     -0.056 ppm2      4.601 CV     1
 ASSI { 1357}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.900     0.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.28005E-02 ppm1      4.600 ppm2      2.875 CV     1
 ASSI { 1359}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      1.900     0.500     0.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.18008E-01 ppm1      2.442 ppm2      2.841 CV     1
 ASSI { 1360}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
      3.000     1.100     1.100 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.11589E-02 ppm1      0.598 ppm2      2.872 CV     1
 ASSI { 1363}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.400     1.400 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.59520E-03 ppm1      1.287 ppm2      8.503 CV     1
 ASSI { 1365}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.44449E-02 ppm1     -0.051 ppm2      8.505 CV     1
 ASSI { 1368}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.100     1.100 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.14241E-02 ppm1      0.601 ppm2      8.507 CV     1
 ASSI { 1371}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.11728E-02 ppm1      1.370 ppm2      3.528 CV     1
 ASSI { 1372}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.800     1.800     1.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.28136E-03 ppm1      1.453 ppm2      3.526 CV     1
 ASSI { 1373}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.20276E-02 ppm1      0.028 ppm2      3.535 CV     1
 ASSI { 1374}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.24720E-02 ppm1     -0.041 ppm2      3.550 CV     1
 ASSI { 1375}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.43072E-03 ppm1      0.603 ppm2      3.528 CV     1
 ASSI { 1376}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.700     0.900     0.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.24839E-02 ppm1      3.542 ppm2      2.953 CV     1
 ASSI { 1378}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.100     0.500     0.500 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.11761E-01 ppm1      2.305 ppm2      2.938 CV     1
 ASSI { 1379}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.42786E-02 ppm1      3.540 ppm2      2.277 CV     1
 ASSI { 1382}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.41696E-02 ppm1      0.029 ppm2      2.293 CV     1
 ASSI { 1383}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 20   and name HB3 ))
      2.700     0.900     0.900 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.23293E-02 ppm1     -0.043 ppm2      2.298 CV     1
 ASSI { 1384}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 20   and name HB3 ))
      3.400     1.500     1.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.53255E-03 ppm1      0.622 ppm2      2.281 CV     1
 ASSI { 1385}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.700     0.700 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.44122E-02 ppm1      2.621 ppm2      2.318 CV     1
 OR { 1385}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
 ASSI { 1392}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.53112E-02 ppm1      4.341 ppm2      2.824 CV     1
 ASSI { 1394}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.500     0.800     0.800 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.40386E-02 ppm1      4.340 ppm2      2.685 CV     1
 ASSI { 1396}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.89195E-03 ppm1      3.540 ppm2      8.664 CV     1
 ASSI { 1397}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     0.900     0.900 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.20515E-02 ppm1      2.303 ppm2      8.666 CV     1
 ASSI { 1399}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.18130E-02 ppm1      2.629 ppm2      8.669 CV     1
 ASSI { 1401}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.57828E-02 ppm1      2.595 ppm2      4.612 CV     1
 ASSI { 1402}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.54725E-02 ppm1      2.571 ppm2      4.618 CV     1
 ASSI { 1405}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.400     1.500     1.500 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.54997E-03 ppm1      3.955 ppm2      2.580 CV     1
 ASSI { 1406}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.400     1.500     1.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.53225E-03 ppm1      1.373 ppm2      2.560 CV     1
 ASSI { 1407}
   (( segid "    " and resid 23   and name HG13))
   (( segid "    " and resid 22   and name HB3 ))
      3.500     1.500     1.500 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.51881E-03 ppm1      1.093 ppm2      2.581 CV     1
 ASSI { 1408}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD21))
      2.900     1.000     1.000 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.15791E-02 ppm1      2.599 ppm2      8.283 CV     1
 ASSI { 1409}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HD22))
      3.200     1.300     1.300 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.85423E-03 ppm1      2.601 ppm2      6.804 CV     1
 ASSI { 1410}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.88943E-03 ppm1      2.837 ppm2      7.106 CV     1
 ASSI { 1411}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.58915E-02 ppm1      2.600 ppm2      7.112 CV     1
 ASSI { 1413}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.18798E-02 ppm1      0.601 ppm2      3.953 CV     1
 ASSI { 1414}
   (( segid "    " and resid 23   and name HG12))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.17705E-02 ppm1      1.372 ppm2      3.951 CV     1
 ASSI { 1415}
   (( segid "    " and resid 23   and name HG13))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.21965E-02 ppm1      1.093 ppm2      3.951 CV     1
 ASSI { 1416}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.400     0.700     0.700 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.44523E-02 ppm1      0.672 ppm2      3.957 CV     1
 ASSI { 1417}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.700     0.700 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.60241E-02 ppm1      1.493 ppm2      3.954 CV     1
 ASSI { 1418}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB  ))
      2.400     0.700     0.700 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.48247E-02 ppm1      3.969 ppm2      1.378 CV     1
 ASSI { 1420}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.200     0.600     0.600 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.76731E-02 ppm1      0.680 ppm2      1.336 CV     1
 ASSI { 1421}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 23   and name HD1%)
      2.400     0.700     0.700 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.48506E-02 ppm1     -0.045 ppm2      0.610 CV     1
 ASSI { 1424}
   (( segid "    " and resid 23   and name HG13))
   (  segid "    " and resid 23   and name HD1%)
      2.400     0.700     0.700 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.46375E-02 ppm1      1.091 ppm2      0.625 CV     1
 ASSI { 1425}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HG12))
      3.200     1.300     1.300 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.82581E-03 ppm1      2.586 ppm2      1.356 CV     1
 ASSI { 1426}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HG12))
      2.100     0.600     0.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.97613E-02 ppm1      0.600 ppm2      1.349 CV     1
 ASSI { 1429}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HG13))
      2.500     0.800     0.800 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.38730E-02 ppm1      1.371 ppm2      1.082 CV     1
 ASSI { 1438}
   (  segid "    " and resid 23   and name HD1%)
   (( segid "    " and resid 23   and name HN  ))
      3.200     1.300     1.300 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.78733E-03 ppm1      0.600 ppm2      7.741 CV     1
 ASSI { 1440}
   (( segid "    " and resid 23   and name HG13))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.15876E-02 ppm1      1.097 ppm2      7.723 CV     1
 ASSI { 1442}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     2.000     2.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.20686E-03 ppm1      3.787 ppm2      7.712 CV     1
 ASSI { 1446}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HA  ))
      2.700     2.700     3.300 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.25748E-02 ppm1      0.030 ppm2      3.767 CV     1
 ASSI { 1447}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.46747E-02 ppm1     -0.038 ppm2      3.768 CV     1
 ASSI { 1449}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     3.200     2.800 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.77809E-03 ppm1      4.541 ppm2      3.802 CV     1
 ASSI { 1451}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.300     0.700     0.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.58461E-02 ppm1      3.783 ppm2      1.441 CV     1
 OR { 1451}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI { 1453}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.500     0.800     0.800 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.32626E-02 ppm1      0.621 ppm2      1.427 CV     1
 OR { 1453}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1454}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.500     1.500     1.500 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.52075E-03 ppm1      4.735 ppm2      1.450 CV     1
 OR { 1454}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1455}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      2.700     0.900     0.900 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.23375E-02 ppm1      4.437 ppm2      1.442 CV     1
 ASSI { 1457}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 24   and name HD1%)
      3.000     1.100     1.100 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      2.981 ppm2      0.010 CV     1
 OR { 1457}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 24   and name HD1%)
 ASSI { 1458}
   (( segid "    " and resid 34   and name HA  ))
   (  segid "    " and resid 24   and name HD1%)
      3.500     1.600     1.600 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.45523E-03 ppm1      5.429 ppm2     -0.011 CV     1
 ASSI { 1460}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 24   and name HD2%)
      2.600     0.800     0.800 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.29163E-02 ppm1      1.460 ppm2     -0.026 CV     1
 OR { 1460}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 24   and name HD2%)
 ASSI { 1463}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 24   and name HD2%)
      3.600     1.600     1.600 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.44064E-03 ppm1      4.435 ppm2     -0.010 CV     1
 ASSI { 1464}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 24   and name HD2%)
      2.700     0.900     0.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.21635E-02 ppm1      2.075 ppm2     -0.020 CV     1
 ASSI { 1465}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 24   and name HD2%)
      2.700     0.900     0.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.22227E-02 ppm1      1.613 ppm2     -0.018 CV     1
 ASSI { 1467}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 24   and name HD2%)
      2.800     1.000     1.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      2.293 ppm2     -0.018 CV     1
 ASSI { 1469}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG  ))
      2.600     0.900     0.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.27044E-02 ppm1      3.787 ppm2      0.614 CV     1
 ASSI { 1471}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HG  ))
      2.500     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.32872E-02 ppm1      0.040 ppm2      0.616 CV     1
 ASSI { 1472}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HG  ))
      2.400     0.700     0.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.50611E-02 ppm1     -0.040 ppm2      0.623 CV     1
 ASSI { 1474}
   (( segid "    " and resid 23   and name HG13))
   (( segid "    " and resid 24   and name HN  ))
      3.700     1.700     1.700 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.36591E-03 ppm1      1.096 ppm2      8.434 CV     1
 ASSI { 1475}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.23013E-02 ppm1      3.785 ppm2      8.382 CV     1
 ASSI { 1476}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     0.700     0.700 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.47072E-02 ppm1      1.465 ppm2      8.393 CV     1
 ASSI { 1477}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.15786E-02 ppm1      0.031 ppm2      8.416 CV     1
 ASSI { 1478}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.25191E-02 ppm1     -0.038 ppm2      8.404 CV     1
 ASSI { 1479}
   (( segid "    " and resid 24   and name HG  ))
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.11780E-02 ppm1      0.620 ppm2      8.409 CV     1
 ASSI { 1481}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.000     0.500     0.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.16265E-01 ppm1      4.127 ppm2      4.685 CV     1
 OR { 1481}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 1484}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.36653E-02 ppm1      3.784 ppm2      6.981 CV     1
 ASSI { 1487}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.43004E-02 ppm1      4.127 ppm2      6.999 CV     1
 OR { 1487}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI { 1488}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.15771E-02 ppm1      1.492 ppm2      6.995 CV     1
 ASSI { 1491}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      1.900     0.400     0.400 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.20718E-01 ppm1      1.495 ppm2      4.618 CV     1
 ASSI { 1492}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 26   and name HB  ))
      3.100     1.200     1.200 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.92037E-03 ppm1      0.967 ppm2      4.624 CV     1
 ASSI { 1493}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.80763E-02 ppm1      4.520 ppm2      1.476 CV     1
 ASSI { 1496}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.73049E-03 ppm1      3.980 ppm2      7.448 CV     1
 ASSI { 1499}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.300     1.300 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.74939E-03 ppm1      4.132 ppm2      7.417 CV     1
 OR { 1499}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1500}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.900     0.900 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.27160E-02 ppm1      4.521 ppm2      7.399 CV     1
 ASSI { 1501}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.73925E-02 ppm1      1.496 ppm2      7.418 CV     1
 ASSI { 1503}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     2.300     3.700 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.66905E-02 ppm1      2.808 ppm2      3.969 CV     1
 ASSI { 1504}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.700     1.700     1.700 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.33944E-03 ppm1      3.302 ppm2      4.002 CV     1
 ASSI { 1506}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.100     3.100     2.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      4.525 ppm2      2.833 CV     1
 ASSI { 1507}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HB2 ))
      3.700     1.700     1.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.34447E-03 ppm1      4.596 ppm2      2.822 CV     1
 ASSI { 1509}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.100     0.500     0.500 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.10638E-01 ppm1      3.990 ppm2      2.796 CV     1
 ASSI { 1511}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD21))
      2.700     0.900     0.900 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.21870E-02 ppm1      2.802 ppm2      7.563 CV     1
 ASSI { 1513}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.32609E-02 ppm1      4.612 ppm2      9.000 CV     1
 ASSI { 1514}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.23765E-02 ppm1      1.495 ppm2      8.999 CV     1
 ASSI { 1515}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.700     0.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.54245E-02 ppm1      3.990 ppm2      8.992 CV     1
 ASSI { 1516}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.47650E-02 ppm1      2.803 ppm2      8.995 CV     1
 ASSI { 1518}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.400     0.700     0.700 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.41688E-02 ppm1      1.241 ppm2      3.850 CV     1
 ASSI { 1519}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.900     0.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.28183E-02 ppm1      0.963 ppm2      3.844 CV     1
 ASSI { 1520}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.92962E-02 ppm1      0.630 ppm2      3.847 CV     1
 ASSI { 1524}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      2.000     0.500     0.500 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.12427E-01 ppm1      0.963 ppm2      1.216 CV     1
 ASSI { 1525}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.700     0.700 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.56964E-02 ppm1      0.634 ppm2      1.233 CV     1
 ASSI { 1526}
   (  segid "    " and resid 28   and name HD2%)
   (( segid "    " and resid 28   and name HB2 ))
      2.300     0.700     0.700 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.56423E-02 ppm1      0.471 ppm2      1.251 CV     1
 ASSI { 1531}
   (( segid "    " and resid 9    and name HG3 ))
   (  segid "    " and resid 28   and name HD1%)
      3.100     1.200     1.200 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.94452E-03 ppm1      1.406 ppm2      0.655 CV     1
 ASSI { 1532}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 28   and name HD1%)
      3.400     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.58658E-03 ppm1      1.306 ppm2      0.661 CV     1
 ASSI { 1533}
   (( segid "    " and resid 10   and name HG3 ))
   (  segid "    " and resid 28   and name HD1%)
      3.200     1.300     1.300 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.89083E-03 ppm1      0.368 ppm2      0.614 CV     1
 ASSI { 1536}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.800     1.800     1.800 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.31105E-03 ppm1      3.948 ppm2      0.450 CV     1
 ASSI { 1537}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 28   and name HD2%)
      3.100     1.200     1.200 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      1.801 ppm2      0.430 CV     1
 ASSI { 1539}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 28   and name HD2%)
      2.900     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.14511E-02 ppm1      1.568 ppm2      0.429 CV     1
 OR { 1539}
   (( segid "    " and resid 9    and name HD3 ))
   (  segid "    " and resid 28   and name HD2%)
 ASSI { 1540}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 28   and name HD2%)
      3.500     1.500     1.500 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.51259E-03 ppm1      1.551 ppm2      0.400 CV     1
 ASSI { 1541}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 28   and name HD2%)
      3.000     1.100     1.100 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.12902E-02 ppm1      3.865 ppm2      0.474 CV     1
 ASSI { 1543}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 28   and name HD2%)
      2.600     0.800     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.31184E-02 ppm1      0.964 ppm2      0.447 CV     1
 ASSI { 1545}
   (( segid "    " and resid 28   and name HG  ))
   (  segid "    " and resid 28   and name HD2%)
      2.200     0.600     0.600 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.87873E-02 ppm1      0.652 ppm2      0.447 CV     1
 ASSI { 1546}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HG  ))
      2.400     0.700     0.700 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.45777E-02 ppm1      1.233 ppm2      0.658 CV     1
 ASSI { 1547}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HG  ))
      2.400     0.700     0.700 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.46087E-02 ppm1      0.965 ppm2      0.651 CV     1
 ASSI { 1549}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 28   and name HN  ))
      3.200     1.300     1.300 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.79399E-03 ppm1      4.616 ppm2      7.333 CV     1
 ASSI { 1550}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.100     1.100 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.14082E-02 ppm1      3.991 ppm2      7.328 CV     1
 ASSI { 1551}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.10004E-02 ppm1      2.793 ppm2      7.338 CV     1
 ASSI { 1555}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.11860E-02 ppm1      0.629 ppm2      7.309 CV     1
 ASSI { 1558}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      4.100     2.100     1.900 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.20319E-03 ppm1      3.196 ppm2      7.317 CV     1
 ASSI { 1561}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.200     0.600     0.600 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.85823E-02 ppm1      3.784 ppm2      2.979 CV     1
 ASSI { 1562}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 29   and name HB3 ))
      3.100     1.200     1.200 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.10098E-02 ppm1      1.459 ppm2      2.972 CV     1
 OR { 1562}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1564}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.800     0.800 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.28698E-02 ppm1     -0.042 ppm2      2.958 CV     1
 OR { 1564}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 1565}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.300     0.600     0.600 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.66289E-02 ppm1      4.532 ppm2      2.970 CV     1
 OR { 1565}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI { 1567}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 29   and name HB3 ))
      3.400     1.500     1.500 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.55555E-03 ppm1      1.635 ppm2      2.959 CV     1
 ASSI { 1568}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 29   and name HD% )
      2.400     0.700     0.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.53040E-02 ppm1      0.674 ppm2      7.046 CV     1
 ASSI { 1570}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      3.000     1.100     1.100 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.11807E-02 ppm1      3.990 ppm2      6.928 CV     1
 ASSI { 1571}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.900     1.100     1.100 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.14584E-02 ppm1      3.861 ppm2      6.925 CV     1
 ASSI { 1572}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.100     1.200     1.200 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.98627E-03 ppm1      1.238 ppm2      6.944 CV     1
 ASSI { 1573}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.21744E-02 ppm1      0.968 ppm2      6.933 CV     1
 ASSI { 1574}
   (  segid "    " and resid 28   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      3.100     3.100     2.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.10383E-02 ppm1      0.637 ppm2      6.942 CV     1
 ASSI { 1575}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.41659E-02 ppm1      4.532 ppm2      6.939 CV     1
 ASSI { 1576}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.47319E-02 ppm1      2.986 ppm2      6.936 CV     1
 ASSI { 1577}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      3.600     1.600     1.600 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.43330E-03 ppm1      3.297 ppm2      6.921 CV     1
 ASSI { 1578}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.600     1.600 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.45167E-03 ppm1      3.199 ppm2      6.922 CV     1
 ASSI { 1581}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.400     0.700     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.48836E-02 ppm1      3.292 ppm2      4.302 CV     1
 ASSI { 1584}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      3.200     1.300     1.300 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.88326E-03 ppm1      3.993 ppm2      3.234 CV     1
 ASSI { 1585}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.200     0.600     0.600 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.89266E-02 ppm1      4.322 ppm2      3.241 CV     1
 ASSI { 1590}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.12579E-02 ppm1      4.529 ppm2      8.990 CV     1
 ASSI { 1591}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.000     0.500     0.500 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.12819E-01 ppm1      4.319 ppm2      8.965 CV     1
 ASSI { 1592}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.100     1.100 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      3.294 ppm2      8.970 CV     1
 ASSI { 1593}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.13518E-02 ppm1      3.199 ppm2      8.968 CV     1
 ASSI { 1596}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.30965E-02 ppm1      3.310 ppm2      4.418 CV     1
 ASSI { 1597}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.800     0.800 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.31777E-02 ppm1      3.279 ppm2      4.416 CV     1
 ASSI { 1600}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      3.100     1.200     1.200 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.11060E-02 ppm1      4.141 ppm2      3.273 CV     1
 ASSI { 1601}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.900     1.000     1.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.15308E-02 ppm1      2.613 ppm2      3.278 CV     1
 ASSI { 1604}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.700     1.700     1.700 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.37216E-03 ppm1      4.129 ppm2      9.067 CV     1
 OR { 1604}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
 ASSI { 1607}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      3.300     1.300     1.300 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.75192E-03 ppm1      3.268 ppm2      9.059 CV     1
 ASSI { 1610}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.200     1.300     1.300 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.86388E-03 ppm1      1.637 ppm2      4.320 CV     1
 ASSI { 1611}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.10163E-02 ppm1      1.548 ppm2      4.317 CV     1
 ASSI { 1612}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.400     0.700     0.700 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.52092E-02 ppm1      4.331 ppm2      2.191 CV     1
 ASSI { 1614}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.16996E-02 ppm1      1.641 ppm2      2.194 CV     1
 ASSI { 1615}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.19490E-02 ppm1      1.552 ppm2      2.187 CV     1
 ASSI { 1616}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.100     0.600     0.600 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.97352E-02 ppm1      4.326 ppm2      1.739 CV     1
 ASSI { 1618}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 32   and name HD2 ))
      3.300     1.400     1.400 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.63503E-03 ppm1      4.530 ppm2      2.020 CV     1
 ASSI { 1620}
   (( segid "    " and resid 32   and name HD3 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.100     0.500     0.500 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.11177E-01 ppm1      1.841 ppm2      1.999 CV     1
 ASSI { 1621}
   (( segid "    " and resid 32   and name HE2 ))
   (( segid "    " and resid 32   and name HD2 ))
      3.200     1.300     1.300 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.77099E-03 ppm1      3.342 ppm2      2.026 CV     1
 ASSI { 1622}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.800     1.000     1.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.16786E-02 ppm1      1.639 ppm2      1.995 CV     1
 ASSI { 1623}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HD2 ))
      2.800     1.000     1.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.18319E-02 ppm1      1.555 ppm2      1.988 CV     1
 ASSI { 1627}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HE2 ))
      3.200     1.300     1.300 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.85112E-03 ppm1      1.640 ppm2      3.306 CV     1
 ASSI { 1628}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 32   and name HE2 ))
      3.200     1.200     1.200 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.89972E-03 ppm1      1.545 ppm2      3.308 CV     1
 ASSI { 1629}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HE3 ))
      3.000     1.100     1.100 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.12297E-02 ppm1      2.028 ppm2      3.294 CV     1
 ASSI { 1630}
   (( segid "    " and resid 32   and name HD3 ))
   (( segid "    " and resid 32   and name HE3 ))
      3.100     1.200     1.200 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.97298E-03 ppm1      1.833 ppm2      3.275 CV     1
 ASSI { 1633}
   (( segid "    " and resid 32   and name HE3 ))
   (( segid "    " and resid 32   and name HG3 ))
      3.000     1.100     1.100 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.12116E-02 ppm1      3.292 ppm2      1.582 CV     1
 ASSI { 1634}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 32   and name HG3 ))
      3.300     1.300     1.300 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.75556E-03 ppm1      5.435 ppm2      1.572 CV     1
 ASSI { 1635}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.33517E-02 ppm1      4.437 ppm2      6.859 CV     1
 ASSI { 1636}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.42130E-03 ppm1      3.322 ppm2      6.867 CV     1
 ASSI { 1637}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.500     1.500     1.500 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.50672E-03 ppm1      3.263 ppm2      6.878 CV     1
 ASSI { 1638}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.49024E-02 ppm1      4.328 ppm2      6.880 CV     1
 ASSI { 1639}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.21646E-02 ppm1      2.217 ppm2      6.862 CV     1
 ASSI { 1641}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.400     1.500     1.500 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.54297E-03 ppm1      2.026 ppm2      6.895 CV     1
 ASSI { 1642}
   (( segid "    " and resid 32   and name HD3 ))
   (( segid "    " and resid 32   and name HN  ))
      3.200     1.300     1.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.81830E-03 ppm1      1.841 ppm2      6.894 CV     1
 ASSI { 1643}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.17145E-02 ppm1      1.640 ppm2      6.868 CV     1
 ASSI { 1646}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      2.300     0.700     0.700 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.63545E-02 ppm1      0.916 ppm2      4.229 CV     1
 ASSI { 1647}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.16166E-02 ppm1      0.805 ppm2      4.214 CV     1
 ASSI { 1649}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.300     2.300     3.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.68815E-02 ppm1      0.914 ppm2      2.798 CV     1
 ASSI { 1652}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.66565E-03 ppm1      1.631 ppm2      8.590 CV     1
 ASSI { 1654}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.42591E-02 ppm1      4.253 ppm2      8.598 CV     1
 ASSI { 1655}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.44900E-02 ppm1      2.826 ppm2      8.617 CV     1
 ASSI { 1657}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.33355E-03 ppm1      4.259 ppm2      5.451 CV     1
 ASSI { 1659}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.37251E-02 ppm1      1.904 ppm2      5.429 CV     1
 ASSI { 1660}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.800     0.800 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.41512E-02 ppm1      1.810 ppm2      5.431 CV     1
 ASSI { 1661}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.34214E-03 ppm1      2.463 ppm2      5.419 CV     1
 ASSI { 1662}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.27160E-03 ppm1      2.292 ppm2      5.422 CV     1
 ASSI { 1665}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.900     1.100     1.100 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.13863E-02 ppm1      5.490 ppm2      1.811 CV     1
 ASSI { 1668}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.17664E-02 ppm1      5.431 ppm2      1.300 CV     1
 OR { 1668}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG3 ))
 ASSI { 1669}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG3 ))
      2.100     0.500     0.500 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.10566E-01 ppm1      1.792 ppm2      1.350 CV     1
 OR { 1669}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 1671}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 34   and name HG3 ))
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.93994E-03 ppm1      5.488 ppm2      1.326 CV     1
 OR { 1671}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 1672}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.400     1.400     1.400 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.57853E-03 ppm1      4.340 ppm2      7.445 CV     1
 ASSI { 1674}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.12263E-02 ppm1      1.639 ppm2      7.484 CV     1
 ASSI { 1675}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.15992E-02 ppm1      2.822 ppm2      7.473 CV     1
 ASSI { 1676}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.22700E-02 ppm1      5.431 ppm2      7.468 CV     1
 ASSI { 1678}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.16987E-02 ppm1      1.809 ppm2      7.500 CV     1
 ASSI { 1679}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      3.300     3.300     2.700 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.67302E-03 ppm1     -0.050 ppm2      4.598 CV     1
 ASSI { 1680}
   (( segid "    " and resid 32   and name HG2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.500     1.500 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.55594E-03 ppm1      1.639 ppm2      4.606 CV     1
 ASSI { 1681}
   (( segid "    " and resid 32   and name HG3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.44333E-03 ppm1      1.571 ppm2      4.608 CV     1
 ASSI { 1683}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.33647E-02 ppm1      2.074 ppm2      4.580 CV     1
 ASSI { 1684}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.700     0.900     0.900 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.21074E-02 ppm1      1.612 ppm2      4.586 CV     1
 ASSI { 1688}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.000     0.500     0.500 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.12466E-01 ppm1      1.612 ppm2      2.051 CV     1
 ASSI { 1689}
   (( segid "    " and resid 32   and name HD2 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.500     0.800     0.800 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.38087E-02 ppm1      2.024 ppm2      1.620 CV     1
 ASSI { 1692}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD21))
      2.800     1.000     1.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.17411E-02 ppm1      2.072 ppm2      3.586 CV     1
 ASSI { 1693}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD21))
      2.600     0.800     0.800 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.29222E-02 ppm1      1.612 ppm2      3.597 CV     1
 ASSI { 1696}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD22))
      3.200     1.300     1.300 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.77105E-03 ppm1      2.091 ppm2      6.174 CV     1
 ASSI { 1698}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      3.400     1.500     1.500 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.55400E-03 ppm1      0.038 ppm2      8.015 CV     1
 ASSI { 1699}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.42723E-03 ppm1     -0.032 ppm2      8.010 CV     1
 ASSI { 1701}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.17642E-02 ppm1      1.808 ppm2      8.009 CV     1
 ASSI { 1702}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.10026E-02 ppm1      1.339 ppm2      8.014 CV     1
 OR { 1702}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1703}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.16008E-02 ppm1      2.074 ppm2      7.999 CV     1
 ASSI { 1704}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.900     1.000     1.000 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.15918E-02 ppm1      1.623 ppm2      8.021 CV     1
 ASSI { 1705}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.000     2.000     2.000 peak  1705 spectrum    1 weight  0.10000E+01 volume  0.22318E-03 ppm1      2.544 ppm2      8.028 CV     1
 OR { 1705}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1707}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.48821E-03 ppm1      2.286 ppm2      8.025 CV     1
 ASSI { 1708}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      3.300     1.300     1.300 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.71544E-03 ppm1      5.487 ppm2      8.022 CV     1
 ASSI { 1710}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.48114E-02 ppm1      0.793 ppm2      4.514 CV     1
 ASSI { 1712}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.17861E-02 ppm1      4.524 ppm2      2.478 CV     1
 ASSI { 1714}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
      2.100     0.600     0.600 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.92432E-02 ppm1      0.794 ppm2      2.440 CV     1
 ASSI { 1719}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.13183E-02 ppm1      4.524 ppm2      7.995 CV     1
 ASSI { 1722}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     3.100     2.900 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.99345E-03 ppm1      1.746 ppm2      4.613 CV     1
 ASSI { 1723}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.78148E-03 ppm1      0.375 ppm2      4.606 CV     1
 ASSI { 1724}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.95036E-03 ppm1      3.688 ppm2      2.898 CV     1
 ASSI { 1725}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.23119E-02 ppm1      1.052 ppm2      2.887 CV     1
 ASSI { 1728}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.100     1.200     1.200 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.11021E-02 ppm1      4.614 ppm2      2.893 CV     1
 ASSI { 1730}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
      2.800     1.000     1.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.16755E-02 ppm1      3.693 ppm2      2.897 CV     1
 ASSI { 1731}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.400     1.500     1.500 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.53533E-03 ppm1      5.038 ppm2      2.524 CV     1
 ASSI { 1733}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 37   and name HB3 ))
      2.300     0.700     0.700 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.54465E-02 ppm1      1.056 ppm2      2.548 CV     1
 ASSI { 1734}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 37   and name HB3 ))
      2.800     1.000     1.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      0.382 ppm2      2.518 CV     1
 ASSI { 1735}
   (  segid "    " and resid 18   and name HG2%)
   (( segid "    " and resid 37   and name HB3 ))
      3.200     1.300     1.300 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.78854E-03 ppm1     -0.051 ppm2      2.487 CV     1
 ASSI { 1737}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 37   and name HB3 ))
      3.300     1.300     1.300 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.75353E-03 ppm1      3.695 ppm2      2.530 CV     1
 ASSI { 1738}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.100     1.200     1.200 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.10730E-02 ppm1      4.523 ppm2      6.858 CV     1
 ASSI { 1739}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 37   and name HD% )
      3.800     1.800     1.800 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.29786E-03 ppm1      5.089 ppm2      6.892 CV     1
 ASSI { 1741}
   (  segid "    " and resid 18   and name HG1%)
   (  segid "    " and resid 37   and name HD% )
      2.900     1.000     1.000 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.16568E-02 ppm1      0.388 ppm2      6.878 CV     1
 ASSI { 1743}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 37   and name HE% )
      2.700     0.900     0.900 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.23738E-02 ppm1     -0.047 ppm2      6.910 CV     1
 ASSI { 1744}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 37   and name HE% )
      2.400     0.700     0.700 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.43169E-02 ppm1      0.675 ppm2      6.925 CV     1
 ASSI { 1745}
   (  segid "    " and resid 24   and name HD1%)
   (  segid "    " and resid 37   and name HE% )
      2.600     0.800     0.800 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.32582E-02 ppm1      0.036 ppm2      6.894 CV     1
 ASSI { 1746}
   (  segid "    " and resid 24   and name HD2%)
   (  segid "    " and resid 37   and name HE% )
      2.600     0.800     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1     -0.034 ppm2      6.921 CV     1
 ASSI { 1747}
   (( segid "    " and resid 69   and name HB3 ))
   (  segid "    " and resid 37   and name HE% )
      3.800     1.800     1.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.29227E-03 ppm1      2.286 ppm2      6.903 CV     1
 ASSI { 1748}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.200     0.600     0.600 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.76285E-02 ppm1      4.519 ppm2      9.239 CV     1
 ASSI { 1749}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      3.800     1.800     1.800 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.30104E-03 ppm1      2.451 ppm2      9.224 CV     1
 ASSI { 1750}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 37   and name HN  ))
      2.500     0.800     0.800 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.40083E-02 ppm1      0.795 ppm2      9.265 CV     1
 ASSI { 1752}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 37   and name HZ  ))
      2.700     0.900     0.900 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.23776E-02 ppm1      0.672 ppm2      6.395 CV     1
 ASSI { 1753}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 37   and name HZ  ))
      2.900     1.100     1.100 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.14505E-02 ppm1      0.039 ppm2      6.414 CV     1
 ASSI { 1754}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 37   and name HZ  ))
      2.800     1.000     1.000 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.18341E-02 ppm1     -0.031 ppm2      6.396 CV     1
 ASSI { 1757}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.88035E-03 ppm1      0.375 ppm2      4.244 CV     1
 ASSI { 1758}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.98008E-03 ppm1      1.065 ppm2      4.264 CV     1
 ASSI { 1762}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 38   and name HA  ))
      2.300     0.600     0.600 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.68225E-02 ppm1      0.695 ppm2      4.246 CV     1
 ASSI { 1763}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.600     0.900     0.900 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.26881E-02 ppm1      5.089 ppm2      1.722 CV     1
 ASSI { 1764}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB  ))
      2.900     1.100     1.100 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.13925E-02 ppm1      4.268 ppm2      1.733 CV     1
 ASSI { 1766}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.200     0.600     0.600 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.78249E-02 ppm1      0.370 ppm2      1.727 CV     1
 ASSI { 1767}
   (( segid "    " and resid 38   and name HG13))
   (( segid "    " and resid 38   and name HB  ))
      3.000     1.100     1.100 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.12545E-02 ppm1      0.066 ppm2      1.720 CV     1
 ASSI { 1768}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.600     0.600 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.98484E-02 ppm1      0.826 ppm2      1.738 CV     1
 ASSI { 1769}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 38   and name HB  ))
      3.800     1.800     1.800 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.29796E-03 ppm1      3.188 ppm2      1.762 CV     1
 ASSI { 1771}
   (( segid "    " and resid 11   and name HB3 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.14785E-02 ppm1      1.755 ppm2      0.393 CV     1
 ASSI { 1772}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.57819E-03 ppm1      5.090 ppm2      0.354 CV     1
 ASSI { 1773}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.11140E-02 ppm1      1.091 ppm2      0.361 CV     1
 ASSI { 1777}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.34745E-02 ppm1      1.067 ppm2      0.352 CV     1
 ASSI { 1779}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.69788E-02 ppm1      0.825 ppm2      0.351 CV     1
 ASSI { 1780}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 38   and name HD1%)
      2.300     0.700     0.700 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.53787E-02 ppm1      1.248 ppm2      0.357 CV     1
 ASSI { 1781}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.600     0.800     0.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.32613E-02 ppm1      1.174 ppm2      0.348 CV     1
 ASSI { 1782}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HG12))
      2.400     0.700     0.700 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.43872E-02 ppm1      1.758 ppm2      1.073 CV     1
 ASSI { 1784}
   (( segid "    " and resid 38   and name HG13))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.600     0.600 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.91723E-02 ppm1      0.066 ppm2      1.049 CV     1
 ASSI { 1785}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG13))
      2.800     1.000     1.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.17442E-02 ppm1      4.268 ppm2      0.049 CV     1
 ASSI { 1787}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG13))
      2.200     0.600     0.600 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.77571E-02 ppm1      0.370 ppm2      0.060 CV     1
 ASSI { 1789}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG13))
      2.300     0.700     0.700 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.55882E-02 ppm1      0.827 ppm2      0.050 CV     1
 ASSI { 1790}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 38   and name HG13))
      2.400     0.700     0.700 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.44752E-02 ppm1      0.695 ppm2      0.058 CV     1
 ASSI { 1791}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.58082E-03 ppm1      5.093 ppm2      0.832 CV     1
 ASSI { 1792}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.50110E-02 ppm1      4.268 ppm2      0.789 CV     1
 ASSI { 1796}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.900     0.900 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.26581E-02 ppm1      4.172 ppm2      0.803 CV     1
 ASSI { 1798}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.500     0.500 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.11205E-01 ppm1      1.178 ppm2      0.791 CV     1
 ASSI { 1799}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      2.700     0.900     0.900 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.21865E-02 ppm1      3.297 ppm2      0.792 CV     1
 ASSI { 1801}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.35449E-03 ppm1      2.589 ppm2      9.363 CV     1
 ASSI { 1802}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.23912E-02 ppm1      5.090 ppm2      9.366 CV     1
 ASSI { 1803}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.000     2.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.22639E-03 ppm1      3.689 ppm2      9.353 CV     1
 ASSI { 1804}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.100     1.200     1.200 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.94452E-03 ppm1      1.050 ppm2      9.358 CV     1
 ASSI { 1806}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.24586E-02 ppm1      4.265 ppm2      9.358 CV     1
 ASSI { 1807}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.37595E-02 ppm1      1.759 ppm2      9.368 CV     1
 ASSI { 1808}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.18914E-02 ppm1      0.370 ppm2      9.366 CV     1
 ASSI { 1810}
   (( segid "    " and resid 38   and name HG13))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.84147E-03 ppm1      0.071 ppm2      9.369 CV     1
 ASSI { 1811}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      3.000     1.100     1.100 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.13288E-02 ppm1      0.824 ppm2      9.362 CV     1
 ASSI { 1816}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      3.000     1.100     1.100 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.12897E-02 ppm1      1.054 ppm2      3.170 CV     1
 ASSI { 1817}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.500     1.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.50774E-03 ppm1      4.271 ppm2      3.143 CV     1
 ASSI { 1818}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.20766E-02 ppm1      5.407 ppm2      3.143 CV     1
 ASSI { 1820}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.200     0.600     0.600 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.84943E-02 ppm1      2.605 ppm2      3.136 CV     1
 ASSI { 1822}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.400     1.400     1.400 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.59780E-03 ppm1      4.272 ppm2      2.570 CV     1
 ASSI { 1823}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.500     0.800     0.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.33978E-02 ppm1      5.401 ppm2      2.579 CV     1
 ASSI { 1827}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      3.400     1.400     1.400 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.59224E-03 ppm1      1.059 ppm2      8.948 CV     1
 ASSI { 1828}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.200     0.600     0.600 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.77024E-02 ppm1      4.267 ppm2      8.941 CV     1
 ASSI { 1829}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
      3.700     1.700     1.700 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.35340E-03 ppm1      1.746 ppm2      8.915 CV     1
 ASSI { 1830}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.31320E-02 ppm1      0.825 ppm2      8.946 CV     1
 ASSI { 1831}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.21798E-02 ppm1      5.416 ppm2      8.923 CV     1
 ASSI { 1833}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.21155E-02 ppm1      2.604 ppm2      8.939 CV     1
 ASSI { 1835}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.12113E-02 ppm1      0.694 ppm2      8.943 CV     1
 ASSI { 1837}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.500     0.800     0.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.36582E-02 ppm1      4.173 ppm2      4.341 CV     1
 ASSI { 1838}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.17783E-02 ppm1      3.187 ppm2      4.344 CV     1
 ASSI { 1841}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
      2.300     0.700     0.700 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.59043E-02 ppm1      0.827 ppm2      3.195 CV     1
 ASSI { 1842}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      2.100     0.500     0.500 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.10779E-01 ppm1      4.174 ppm2      3.171 CV     1
 ASSI { 1844}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
      2.400     0.700     0.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.53126E-02 ppm1      1.174 ppm2      3.161 CV     1
 ASSI { 1845}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.17078E-02 ppm1      1.035 ppm2      7.696 CV     1
 ASSI { 1846}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      3.100     1.200     1.200 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.97352E-03 ppm1      1.058 ppm2      7.679 CV     1
 ASSI { 1848}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.31856E-03 ppm1      3.153 ppm2      7.689 CV     1
 ASSI { 1849}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.59762E-03 ppm1      2.610 ppm2      7.675 CV     1
 ASSI { 1851}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      3.200     1.300     1.300 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.87791E-03 ppm1      4.170 ppm2      7.692 CV     1
 ASSI { 1854}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.11075E-02 ppm1      3.346 ppm2      4.683 CV     1
 ASSI { 1855}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.28662E-02 ppm1      1.878 ppm2      4.684 CV     1
 ASSI { 1856}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.100     0.600     0.600 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.10402E-01 ppm1      3.941 ppm2      4.683 CV     1
 ASSI { 1857}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.100     0.500     0.500 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.10698E-01 ppm1      3.910 ppm2      4.681 CV     1
 ASSI { 1860}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.300     0.600     0.600 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.67130E-02 ppm1      1.688 ppm2      2.362 CV     1
 ASSI { 1861}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.18326E-02 ppm1      3.356 ppm2      2.347 CV     1
 ASSI { 1862}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     0.900     0.900 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.20711E-02 ppm1      3.303 ppm2      2.349 CV     1
 ASSI { 1863}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.500     0.800     0.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.38471E-02 ppm1      1.854 ppm2      2.363 CV     1
 ASSI { 1866}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.800     1.000     1.000 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.17630E-02 ppm1      3.354 ppm2      1.676 CV     1
 ASSI { 1867}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.800     1.000     1.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.19426E-02 ppm1      3.303 ppm2      1.667 CV     1
 ASSI { 1868}
   (( segid "    " and resid 42   and name HD3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.600     0.800     0.800 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.32172E-02 ppm1      3.929 ppm2      1.652 CV     1
 ASSI { 1869}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.000     1.100     1.100 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.12288E-02 ppm1      3.667 ppm2      1.675 CV     1
 ASSI { 1875}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HE  ))
      2.900     1.000     1.000 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.15828E-02 ppm1      3.352 ppm2      7.488 CV     1
 ASSI { 1878}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.300     0.700     0.700 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.59457E-02 ppm1      3.350 ppm2      1.848 CV     1
 ASSI { 1879}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.300     0.600     0.600 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.63841E-02 ppm1      3.300 ppm2      1.848 CV     1
 ASSI { 1881}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 41   and name HG2 ))
      2.600     2.600     3.400 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      3.926 ppm2      1.850 CV     1
 ASSI { 1883}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 41   and name HH21))
      3.000     3.000     3.000 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.11550E-02 ppm1      4.915 ppm2      6.786 CV     1
 OR { 1883}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 41   and name HH22))
 OR { 1883}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 41   and name HH12))
 ASSI { 1884}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HH12))
      3.200     1.300     1.300 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.87883E-03 ppm1      3.349 ppm2      6.783 CV     1
 ASSI { 1885}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HH12))
      3.100     1.200     1.200 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.98492E-03 ppm1      3.303 ppm2      6.775 CV     1
 ASSI { 1889}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.52276E-03 ppm1      3.346 ppm2      8.398 CV     1
 ASSI { 1890}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.48789E-03 ppm1      3.290 ppm2      8.399 CV     1
 ASSI { 1892}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.700     1.700     1.700 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.37391E-03 ppm1      3.664 ppm2      8.400 CV     1
 ASSI { 1893}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     1.300     1.300 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.86804E-03 ppm1      2.078 ppm2      8.404 CV     1
 OR { 1893}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
 ASSI { 1896}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.19426E-02 ppm1      1.035 ppm2      4.408 CV     1
 ASSI { 1898}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.34726E-02 ppm1      2.291 ppm2      4.406 CV     1
 ASSI { 1899}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.14836E-02 ppm1      2.284 ppm2      4.419 CV     1
 ASSI { 1900}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     2.600     3.400 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.28778E-02 ppm1      2.103 ppm2      4.421 CV     1
 ASSI { 1901}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.19839E-02 ppm1      2.586 ppm2      4.443 CV     1
 ASSI { 1902}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.25580E-02 ppm1      1.177 ppm2      4.410 CV     1
 ASSI { 1903}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      1.028 ppm2      2.430 CV     1
 ASSI { 1905}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.900     0.500     0.500 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.18264E-01 ppm1      2.295 ppm2      2.437 CV     1
 ASSI { 1909}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HD2 ))
      2.600     0.900     0.900 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.26925E-02 ppm1      2.289 ppm2      3.924 CV     1
 ASSI { 1911}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 42   and name HD3 ))
      2.800     1.000     1.000 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.18716E-02 ppm1      1.033 ppm2      3.918 CV     1
 ASSI { 1912}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HD3 ))
      2.500     0.800     0.800 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.37159E-02 ppm1      2.383 ppm2      3.913 CV     1
 ASSI { 1914}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 42   and name HD3 ))
      3.100     1.200     1.200 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.99965E-03 ppm1      3.363 ppm2      3.896 CV     1
 ASSI { 1916}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HD3 ))
      2.300     0.600     0.600 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.65452E-02 ppm1      2.286 ppm2      3.917 CV     1
 ASSI { 1917}
   (( segid "    " and resid 42   and name HD2 ))
   (( segid "    " and resid 42   and name HG2 ))
      2.200     2.200     3.800 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.89783E-02 ppm1      3.929 ppm2      2.316 CV     1
 ASSI { 1919}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HG2 ))
      1.800     0.400     0.400 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.27113E-01 ppm1      2.124 ppm2      2.252 CV     1
 ASSI { 1920}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HG3 ))
      2.300     0.700     0.700 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.60547E-02 ppm1      2.446 ppm2      2.082 CV     1
 ASSI { 1923}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.500     1.500 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.57007E-03 ppm1      2.450 ppm2      4.161 CV     1
 ASSI { 1924}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.46212E-03 ppm1      2.279 ppm2      4.164 CV     1
 ASSI { 1929}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.32476E-02 ppm1      2.397 ppm2      4.161 CV     1
 ASSI { 1930}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.96930E-03 ppm1      3.671 ppm2      4.163 CV     1
 ASSI { 1931}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      4.000     2.000     2.000 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.23598E-03 ppm1      2.866 ppm2      4.138 CV     1
 ASSI { 1932}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.89589E-03 ppm1      1.586 ppm2      4.165 CV     1
 ASSI { 1934}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.59195E-02 ppm1      4.181 ppm2      2.349 CV     1
 ASSI { 1936}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.000     0.500     0.500 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.13234E-01 ppm1      1.995 ppm2      2.314 CV     1
 ASSI { 1937}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.300     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.62268E-02 ppm1      3.666 ppm2      2.295 CV     1
 ASSI { 1938}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
      2.300     0.700     0.700 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.55906E-02 ppm1      4.185 ppm2      2.006 CV     1
 ASSI { 1941}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.400     0.700     0.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.44367E-02 ppm1      2.638 ppm2      1.983 CV     1
 ASSI { 1942}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.500     0.800     0.800 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.38808E-02 ppm1      2.394 ppm2      1.992 CV     1
 ASSI { 1943}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      2.700     0.900     0.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.21092E-02 ppm1      4.181 ppm2      2.630 CV     1
 ASSI { 1944}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.700     0.900     0.900 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.23421E-02 ppm1      2.314 ppm2      2.619 CV     1
 ASSI { 1947}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      1.900     0.400     0.400 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.19444E-01 ppm1      2.403 ppm2      2.642 CV     1
 ASSI { 1948}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.400     1.500     1.500 peak  1948 spectrum    1 weight  0.10000E+01 volume  0.57247E-03 ppm1      3.671 ppm2      2.622 CV     1
 ASSI { 1951}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.100     1.200     1.200 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.95332E-03 ppm1      2.382 ppm2      9.323 CV     1
 ASSI { 1953}
   (( segid "    " and resid 41   and name HD2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.22818E-03 ppm1      3.351 ppm2      9.319 CV     1
 ASSI { 1954}
   (( segid "    " and resid 41   and name HD3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.23856E-03 ppm1      3.299 ppm2      9.306 CV     1
 ASSI { 1955}
   (( segid "    " and resid 41   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.35823E-03 ppm1      1.857 ppm2      9.331 CV     1
 ASSI { 1956}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.200     1.200 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.91660E-03 ppm1      4.439 ppm2      9.311 CV     1
 ASSI { 1957}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.84159E-03 ppm1      2.450 ppm2      9.321 CV     1
 ASSI { 1958}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     3.000     3.000 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.11771E-02 ppm1      2.296 ppm2      9.327 CV     1
 ASSI { 1959}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.700     0.900     0.900 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.21696E-02 ppm1      2.285 ppm2      9.320 CV     1
 ASSI { 1960}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
      3.000     1.100     1.100 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.12522E-02 ppm1      2.119 ppm2      9.319 CV     1
 ASSI { 1961}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.38325E-02 ppm1      4.181 ppm2      9.321 CV     1
 ASSI { 1963}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.26931E-02 ppm1      1.974 ppm2      9.305 CV     1
 ASSI { 1966}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.28188E-02 ppm1      3.667 ppm2      9.319 CV     1
 ASSI { 1967}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.40753E-03 ppm1      1.170 ppm2      9.321 CV     1
 ASSI { 1968}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.23014E-03 ppm1      2.324 ppm2      4.424 CV     1
 ASSI { 1970}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.100     0.500     0.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.11331E-01 ppm1      2.452 ppm2      4.418 CV     1
 ASSI { 1971}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.40595E-02 ppm1      1.884 ppm2      4.421 CV     1
 ASSI { 1972}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.98735E-03 ppm1      3.667 ppm2      4.405 CV     1
 ASSI { 1973}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.86719E-02 ppm1      1.428 ppm2      4.420 CV     1
 ASSI { 1974}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HB2 ))
      1.900     0.400     0.400 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.19716E-01 ppm1      1.885 ppm2      2.437 CV     1
 ASSI { 1975}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 44   and name HB2 ))
      2.100     0.500     0.500 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.12069E-01 ppm1      2.056 ppm2      2.423 CV     1
 OR { 1975}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HB2 ))
 ASSI { 1978}
   (( segid "    " and resid 44   and name HG3 ))
   (( segid "    " and resid 44   and name HB3 ))
      2.100     0.600     0.600 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.99947E-02 ppm1      2.081 ppm2      1.890 CV     1
 ASSI { 1979}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.800     1.000     1.000 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.18610E-02 ppm1      2.312 ppm2      3.900 CV     1
 ASSI { 1980}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.900     1.100     1.100 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.14324E-02 ppm1      1.992 ppm2      3.911 CV     1
 ASSI { 1981}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HD2 ))
      2.700     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.24816E-02 ppm1      4.437 ppm2      3.914 CV     1
 ASSI { 1982}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.600     0.800     0.800 peak  1982 spectrum    1 weight  0.10000E+01 volume  0.29315E-02 ppm1      2.449 ppm2      3.912 CV     1
 ASSI { 1983}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.800     1.000     1.000 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.19615E-02 ppm1      1.882 ppm2      3.894 CV     1
 ASSI { 1985}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HD2 ))
      1.900     0.500     0.500 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.17733E-01 ppm1      3.667 ppm2      3.905 CV     1
 ASSI { 1986}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 44   and name HD3 ))
      3.600     1.700     1.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.38715E-03 ppm1      2.383 ppm2      3.662 CV     1
 ASSI { 1988}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 44   and name HD3 ))
      2.700     0.900     0.900 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.22714E-02 ppm1      1.994 ppm2      3.652 CV     1
 ASSI { 1989}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 44   and name HD3 ))
      3.300     1.400     1.400 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.68504E-03 ppm1      2.401 ppm2      3.656 CV     1
 ASSI { 1991}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HD3 ))
      3.000     1.100     1.100 peak  1991 spectrum    1 weight  0.10000E+01 volume  0.11544E-02 ppm1      2.452 ppm2      3.651 CV     1
 ASSI { 1994}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
      3.000     1.200     1.200 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.11318E-02 ppm1      4.705 ppm2      2.094 CV     1
 OR { 1994}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 44   and name HG3 ))
 ASSI { 1995}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 44   and name HG2 ))
      2.600     2.600     3.400 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.28905E-02 ppm1      4.437 ppm2      2.071 CV     1
 ASSI { 1998}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 44   and name HG3 ))
      2.200     0.600     0.600 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.69930E-02 ppm1      3.668 ppm2      2.045 CV     1
 ASSI { 2002}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      2.300     0.600     0.600 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.64797E-02 ppm1      1.243 ppm2      3.861 CV     1
 ASSI { 2003}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.89438E-02 ppm1      1.173 ppm2      3.864 CV     1
 ASSI { 2004}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.59262E-03 ppm1      1.731 ppm2      3.860 CV     1
 ASSI { 2005}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      2.400     0.700     0.700 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.47082E-02 ppm1      0.759 ppm2      3.863 CV     1
 ASSI { 2008}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 45   and name HB  ))
      2.500     0.800     0.800 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.32918E-02 ppm1      1.082 ppm2      2.549 CV     1
 ASSI { 2009}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      3.300     1.400     1.400 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.63593E-03 ppm1      0.834 ppm2      2.568 CV     1
 ASSI { 2010}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.900     1.000     1.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.15863E-02 ppm1      3.879 ppm2      2.566 CV     1
 ASSI { 2012}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 45   and name HB  ))
      2.100     0.600     0.600 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.95844E-02 ppm1      1.244 ppm2      2.566 CV     1
 ASSI { 2013}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.100     0.600     0.600 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.97882E-02 ppm1      1.172 ppm2      2.562 CV     1
 ASSI { 2017}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 45   and name HG2%)
      3.200     1.300     1.300 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.86473E-03 ppm1      1.891 ppm2      1.164 CV     1
 ASSI { 2018}
   (( segid "    " and resid 44   and name HG2 ))
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak  2018 spectrum    1 weight  0.10000E+01 volume  0.13256E-02 ppm1      2.066 ppm2      1.159 CV     1
 ASSI { 2022}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.800     0.900     0.900 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.20512E-02 ppm1      4.436 ppm2      6.859 CV     1
 ASSI { 2023}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.400     1.400 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.65626E-03 ppm1      4.189 ppm2      6.834 CV     1
 ASSI { 2024}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.21227E-03 ppm1      1.973 ppm2      6.835 CV     1
 ASSI { 2025}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.85191E-03 ppm1      2.457 ppm2      6.858 CV     1
 ASSI { 2026}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      1.885 ppm2      6.852 CV     1
 ASSI { 2027}
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.100     1.100 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.13915E-02 ppm1      3.925 ppm2      6.850 CV     1
 ASSI { 2028}
   (( segid "    " and resid 44   and name HD3 ))
   (( segid "    " and resid 45   and name HN  ))
      3.300     1.300     1.300 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.74712E-03 ppm1      3.666 ppm2      6.851 CV     1
 ASSI { 2029}
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.100     1.200     1.200 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.11113E-02 ppm1      2.077 ppm2      6.847 CV     1
 ASSI { 2032}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      2.200     0.600     0.600 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.83075E-02 ppm1      1.177 ppm2      6.847 CV     1
 ASSI { 2035}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.25537E-02 ppm1      1.247 ppm2      2.861 CV     1
 ASSI { 2038}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.18924E-02 ppm1      1.482 ppm2      2.862 CV     1
 ASSI { 2039}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.68726E-03 ppm1      1.219 ppm2      2.867 CV     1
 ASSI { 2040}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.99247E-03 ppm1      1.155 ppm2      2.865 CV     1
 ASSI { 2042}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.25219E-02 ppm1     -0.140 ppm2      2.871 CV     1
 ASSI { 2043}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.400     1.400 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.58207E-03 ppm1      3.890 ppm2      2.868 CV     1
 ASSI { 2045}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.46889E-02 ppm1      1.628 ppm2      2.878 CV     1
 ASSI { 2046}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.45829E-02 ppm1      2.867 ppm2      1.573 CV     1
 ASSI { 2048}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.700     0.900     0.900 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.24131E-02 ppm1      4.182 ppm2      1.497 CV     1
 ASSI { 2052}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 46   and name HD3 ))
      2.300     0.700     0.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.53531E-02 ppm1      2.393 ppm2      1.135 CV     1
 ASSI { 2053}
   (( segid "    " and resid 46   and name HE3 ))
   (( segid "    " and resid 46   and name HD3 ))
      2.400     0.700     0.700 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.49741E-02 ppm1      2.217 ppm2      1.136 CV     1
 ASSI { 2054}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE2 ))
      2.900     1.100     1.100 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.14021E-02 ppm1      1.241 ppm2      2.375 CV     1
 ASSI { 2057}
   (( segid "    " and resid 46   and name HE3 ))
   (( segid "    " and resid 46   and name HE2 ))
      1.900     0.400     0.400 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.21535E-01 ppm1      2.219 ppm2      2.372 CV     1
 ASSI { 2058}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HE2 ))
      3.100     1.200     1.200 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.10472E-02 ppm1      1.117 ppm2      2.377 CV     1
 ASSI { 2060}
   (  segid "    " and resid 95   and name HB% )
   (( segid "    " and resid 46   and name HE2 ))
      2.600     0.800     0.800 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.29448E-02 ppm1      0.871 ppm2      2.384 CV     1
 ASSI { 2061}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE3 ))
      3.100     1.200     1.200 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.94722E-03 ppm1      1.244 ppm2      2.184 CV     1
 ASSI { 2065}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HE3 ))
      3.300     1.400     1.400 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.66065E-03 ppm1      1.116 ppm2      2.163 CV     1
 ASSI { 2067}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.600     0.800     0.800 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.30447E-02 ppm1      2.865 ppm2      1.122 CV     1
 ASSI { 2069}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.100     0.600     0.600 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.10505E-01 ppm1     -0.141 ppm2      1.103 CV     1
 ASSI { 2070}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.19770E-02 ppm1      4.378 ppm2      1.115 CV     1
 ASSI { 2071}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.800     1.000     1.000 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.16819E-02 ppm1      2.929 ppm2      1.145 CV     1
 ASSI { 2073}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.900     1.100     1.100 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.13938E-02 ppm1      1.585 ppm2     -0.173 CV     1
 ASSI { 2074}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.900     1.000     1.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.16121E-02 ppm1      1.482 ppm2     -0.172 CV     1
 ASSI { 2075}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.700     0.900     0.900 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.22678E-02 ppm1      1.242 ppm2     -0.157 CV     1
 ASSI { 2076}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.600     0.900     0.900 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.27285E-02 ppm1      1.150 ppm2     -0.157 CV     1
 ASSI { 2077}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.700     0.900     0.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.21685E-02 ppm1      2.393 ppm2     -0.155 CV     1
 ASSI { 2078}
   (( segid "    " and resid 46   and name HE3 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.700     0.900     0.900 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.23393E-02 ppm1      2.217 ppm2     -0.155 CV     1
 ASSI { 2081}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 46   and name HG3 ))
      2.900     1.100     1.100 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.14215E-02 ppm1      4.375 ppm2     -0.158 CV     1
 ASSI { 2082}
   (  segid "    " and resid 95   and name HB% )
   (( segid "    " and resid 46   and name HG3 ))
      2.700     0.900     0.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.23724E-02 ppm1      0.875 ppm2     -0.144 CV     1
 ASSI { 2083}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 46   and name HG3 ))
      3.300     1.300     1.300 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.75397E-03 ppm1      3.167 ppm2     -0.158 CV     1
 ASSI { 2084}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 46   and name HG3 ))
      3.200     1.300     1.300 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.85292E-03 ppm1      2.927 ppm2     -0.161 CV     1
 ASSI { 2085}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.59515E-03 ppm1      4.444 ppm2      8.385 CV     1
 ASSI { 2086}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.800     1.800 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.32513E-03 ppm1      2.451 ppm2      8.412 CV     1
 ASSI { 2088}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.100     1.100 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.14535E-02 ppm1      1.174 ppm2      8.421 CV     1
 ASSI { 2089}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.22044E-02 ppm1      2.866 ppm2      8.405 CV     1
 ASSI { 2092}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.30296E-03 ppm1     -0.141 ppm2      8.403 CV     1
 ASSI { 2093}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.25392E-03 ppm1      3.883 ppm2      8.413 CV     1
 ASSI { 2095}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.26842E-03 ppm1      1.492 ppm2      3.881 CV     1
 ASSI { 2096}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.26670E-03 ppm1      1.119 ppm2      3.878 CV     1
 ASSI { 2098}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
      1.900     0.500     0.500 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.17348E-01 ppm1      1.427 ppm2      3.869 CV     1
 ASSI { 2099}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.100     0.600     0.600 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.10462E-01 ppm1      1.760 ppm2      3.868 CV     1
 ASSI { 2101}
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 47   and name HB% )
      3.100     1.200     1.200 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.98196E-03 ppm1      2.448 ppm2      1.450 CV     1
 ASSI { 2105}
   (( segid "    " and resid 44   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.900     1.900     1.900 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.25428E-03 ppm1      1.883 ppm2      7.726 CV     1
 ASSI { 2108}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.11782E-02 ppm1      1.488 ppm2      7.704 CV     1
 ASSI { 2110}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.87233E-03 ppm1      1.433 ppm2      3.634 CV     1
 ASSI { 2112}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HA  ))
      2.600     0.800     0.800 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.28727E-02 ppm1      1.727 ppm2      3.639 CV     1
 ASSI { 2113}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.18613E-02 ppm1      0.758 ppm2      3.644 CV     1
 ASSI { 2114}
   (( segid "    " and resid 48   and name HG12))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.21998E-02 ppm1      1.791 ppm2      3.643 CV     1
 ASSI { 2116}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.200     0.600     0.600 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.71001E-02 ppm1      0.657 ppm2      3.642 CV     1
 ASSI { 2117}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.58053E-03 ppm1      0.462 ppm2      3.655 CV     1
 ASSI { 2120}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.000     0.500     0.500 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.15838E-01 ppm1      0.659 ppm2      1.717 CV     1
 ASSI { 2121}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.75272E-02 ppm1      0.694 ppm2      1.729 CV     1
 ASSI { 2123}
   (  segid "    " and resid 45   and name HG1%)
   (  segid "    " and resid 48   and name HD1%)
      2.400     0.700     0.700 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.46705E-02 ppm1      1.242 ppm2      0.748 CV     1
 ASSI { 2126}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 48   and name HD1%)
      2.000     0.500     0.500 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.14659E-01 ppm1      0.463 ppm2      0.715 CV     1
 ASSI { 2127}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HG12))
      2.800     0.900     0.900 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.20672E-02 ppm1      3.876 ppm2      1.758 CV     1
 ASSI { 2128}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HG12))
      2.000     0.500     0.500 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.12871E-01 ppm1      0.760 ppm2      1.749 CV     1
 ASSI { 2130}
   (( segid "    " and resid 48   and name HG13))
   (( segid "    " and resid 48   and name HG12))
      2.000     0.500     0.500 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.13310E-01 ppm1      1.253 ppm2      1.753 CV     1
 ASSI { 2131}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG13))
      2.500     0.800     0.800 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.41403E-02 ppm1      3.656 ppm2      1.253 CV     1
 ASSI { 2132}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HG13))
      2.700     0.900     0.900 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.24198E-02 ppm1      1.720 ppm2      1.234 CV     1
 ASSI { 2133}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HG13))
      2.000     0.500     0.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.13223E-01 ppm1      0.760 ppm2      1.218 CV     1
 ASSI { 2136}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 48   and name HG13))
      2.400     0.700     0.700 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.46570E-02 ppm1      0.464 ppm2      1.241 CV     1
 ASSI { 2139}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.600     0.800     0.800 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.31064E-02 ppm1      4.030 ppm2      0.658 CV     1
 ASSI { 2140}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.56308E-03 ppm1      4.574 ppm2      0.689 CV     1
 ASSI { 2141}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.91992E-03 ppm1      3.876 ppm2      7.341 CV     1
 ASSI { 2142}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.500     1.500 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.55003E-03 ppm1      2.868 ppm2      7.323 CV     1
 ASSI { 2143}
   (  segid "    " and resid 47   and name HB% )
   (( segid "    " and resid 48   and name HN  ))
      2.600     0.900     0.900 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.26600E-02 ppm1      1.429 ppm2      7.346 CV     1
 ASSI { 2145}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.43574E-02 ppm1      1.728 ppm2      7.347 CV     1
 ASSI { 2146}
   (  segid "    " and resid 48   and name HD1%)
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.900     0.900 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.22268E-02 ppm1      0.760 ppm2      7.346 CV     1
 ASSI { 2147}
   (( segid "    " and resid 48   and name HG12))
   (( segid "    " and resid 48   and name HN  ))
      2.500     0.800     0.800 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.39617E-02 ppm1      1.789 ppm2      7.356 CV     1
 ASSI { 2151}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     0.800     0.800 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.33831E-02 ppm1      2.954 ppm2      4.652 CV     1
 ASSI { 2152}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.500     2.500     3.500 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.35267E-02 ppm1      0.716 ppm2      4.659 CV     1
 ASSI { 2153}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.19993E-02 ppm1      0.945 ppm2      4.636 CV     1
 ASSI { 2156}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.000     0.500     0.500 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.12501E-01 ppm1      1.820 ppm2      2.936 CV     1
 ASSI { 2157}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.500     1.600     1.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.45971E-03 ppm1      3.844 ppm2      2.948 CV     1
 ASSI { 2158}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
      3.200     3.200     2.800 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.76693E-03 ppm1      0.685 ppm2      2.932 CV     1
 ASSI { 2159}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.300     1.300 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.78179E-03 ppm1      5.117 ppm2      2.934 CV     1
 ASSI { 2160}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak  2160 spectrum    1 weight  0.10000E+01 volume  0.30430E-02 ppm1      4.006 ppm2      2.918 CV     1
 ASSI { 2161}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      3.500     1.500     1.500 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.50734E-03 ppm1      2.015 ppm2      2.982 CV     1
 ASSI { 2164}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.600     0.800     0.800 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.30590E-02 ppm1      4.377 ppm2      1.793 CV     1
 ASSI { 2165}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 49   and name HB3 ))
      3.300     1.400     1.400 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.67417E-03 ppm1      2.925 ppm2      1.831 CV     1
 ASSI { 2166}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.200     3.200     2.800 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.87677E-03 ppm1      3.879 ppm2      7.086 CV     1
 ASSI { 2167}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.10831E-02 ppm1      3.885 ppm2      7.128 CV     1
 ASSI { 2168}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.900     1.100     1.100 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.14918E-02 ppm1      3.649 ppm2      7.106 CV     1
 ASSI { 2170}
   (( segid "    " and resid 48   and name HG12))
   (( segid "    " and resid 49   and name HN  ))
      3.200     1.300     1.300 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.76505E-03 ppm1      1.789 ppm2      7.105 CV     1
 ASSI { 2172}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     1.000     1.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.18143E-02 ppm1      2.957 ppm2      7.109 CV     1
 ASSI { 2174}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.65039E-03 ppm1      4.378 ppm2      7.109 CV     1
 ASSI { 2175}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.49562E-03 ppm1      3.166 ppm2      7.097 CV     1
 ASSI { 2180}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.200     0.600     0.600 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.85332E-02 ppm1      3.841 ppm2      1.736 CV     1
 OR { 2180}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
 ASSI { 2185}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.400     0.700     0.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.45881E-02 ppm1      3.841 ppm2      1.364 CV     1
 ASSI { 2188}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     0.900     0.900 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.20690E-02 ppm1      3.887 ppm2      7.286 CV     1
 ASSI { 2189}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.36687E-02 ppm1      3.841 ppm2      7.252 CV     1
 ASSI { 2191}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.69962E-03 ppm1      1.391 ppm2      7.267 CV     1
 ASSI { 2192}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.300     1.300 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.85630E-03 ppm1      1.344 ppm2      7.259 CV     1
 ASSI { 2194}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 51   and name HA2 ))
      1.800     0.400     0.400 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.24461E-01 ppm1      3.473 ppm2      4.075 CV     1
 ASSI { 2195}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HA1 ))
      3.100     1.200     1.200 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.11014E-02 ppm1      3.841 ppm2      3.444 CV     1
 ASSI { 2200}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.23806E-03 ppm1      2.942 ppm2      9.139 CV     1
 ASSI { 2201}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.000     0.500     0.500 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.12891E-01 ppm1      3.841 ppm2      9.115 CV     1
 ASSI { 2203}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.22447E-02 ppm1      1.380 ppm2      9.134 CV     1
 ASSI { 2204}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.17212E-02 ppm1      1.332 ppm2      9.143 CV     1
 ASSI { 2205}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.42769E-02 ppm1      4.098 ppm2      9.110 CV     1
 ASSI { 2208}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.400     1.400 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.61365E-03 ppm1      0.709 ppm2      9.142 CV     1
 ASSI { 2209}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     1.600     1.600 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.40739E-03 ppm1      2.191 ppm2      9.095 CV     1
 ASSI { 2211}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.78217E-03 ppm1      2.014 ppm2      9.112 CV     1
 ASSI { 2216}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.200     0.600     0.600 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.88468E-02 ppm1      0.734 ppm2      3.948 CV     1
 ASSI { 2217}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     3.200     2.800 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.90484E-03 ppm1      1.893 ppm2      3.965 CV     1
 ASSI { 2219}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB  ))
      2.400     2.400     3.600 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.51462E-02 ppm1      0.726 ppm2      1.721 CV     1
 ASSI { 2220}
   (( segid "    " and resid 52   and name HG13))
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.29569E-02 ppm1      0.934 ppm2      1.703 CV     1
 ASSI { 2221}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.000     0.500     0.500 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.14320E-01 ppm1      0.734 ppm2      1.718 CV     1
 ASSI { 2223}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 52   and name HB  ))
      2.600     0.800     0.800 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.31806E-02 ppm1      2.541 ppm2      1.734 CV     1
 ASSI { 2224}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.100     0.500     0.500 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.11241E-01 ppm1      3.965 ppm2      0.711 CV     1
 ASSI { 2226}
   (( segid "    " and resid 52   and name HG12))
   (  segid "    " and resid 52   and name HD1%)
      2.000     0.500     0.500 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.12505E-01 ppm1      1.241 ppm2      0.708 CV     1
 ASSI { 2227}
   (( segid "    " and resid 52   and name HG13))
   (  segid "    " and resid 52   and name HD1%)
      1.900     0.400     0.400 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.19716E-01 ppm1      0.930 ppm2      0.706 CV     1
 ASSI { 2228}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
      2.300     2.300     3.700 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.63920E-02 ppm1      2.743 ppm2      0.707 CV     1
 ASSI { 2229}
   (( segid "    " and resid 91   and name HB3 ))
   (  segid "    " and resid 52   and name HD1%)
      2.400     2.400     3.600 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.50009E-02 ppm1      2.541 ppm2      0.708 CV     1
 ASSI { 2230}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG12))
      2.800     1.000     1.000 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.20318E-02 ppm1      3.966 ppm2      1.216 CV     1
 ASSI { 2233}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HG12))
      2.300     0.600     0.600 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.64913E-02 ppm1      0.734 ppm2      1.251 CV     1
 ASSI { 2234}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 52   and name HG12))
      2.700     0.900     0.900 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.22313E-02 ppm1      0.698 ppm2      1.251 CV     1
 ASSI { 2236}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
      2.600     0.800     0.800 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.29811E-02 ppm1      3.965 ppm2      0.911 CV     1
 ASSI { 2238}
   (( segid "    " and resid 52   and name HG12))
   (( segid "    " and resid 52   and name HG13))
      2.000     0.500     0.500 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.13951E-01 ppm1      1.241 ppm2      0.938 CV     1
 ASSI { 2240}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 52   and name HG13))
      3.200     1.300     1.300 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.88910E-03 ppm1      4.017 ppm2      0.921 CV     1
 ASSI { 2242}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 52   and name HG2%)
      2.400     0.700     0.700 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.49008E-02 ppm1      1.538 ppm2      0.704 CV     1
 ASSI { 2243}
   (( segid "    " and resid 56   and name HD3 ))
   (  segid "    " and resid 52   and name HG2%)
      2.500     0.800     0.800 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.34255E-02 ppm1      1.612 ppm2      0.703 CV     1
 ASSI { 2244}
   (( segid "    " and resid 92   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      3.000     1.100     1.100 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.12390E-02 ppm1      4.141 ppm2      0.699 CV     1
 ASSI { 2245}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.27306E-03 ppm1      2.956 ppm2      7.775 CV     1
 ASSI { 2246}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      3.842 ppm2      7.751 CV     1
 ASSI { 2247}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.10672E-02 ppm1      4.088 ppm2      7.773 CV     1
 ASSI { 2248}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.12917E-02 ppm1      3.475 ppm2      7.764 CV     1
 ASSI { 2249}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.32643E-02 ppm1      3.965 ppm2      7.754 CV     1
 ASSI { 2253}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.28760E-02 ppm1      0.734 ppm2      7.758 CV     1
 ASSI { 2254}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.35833E-02 ppm1      0.720 ppm2      7.739 CV     1
 ASSI { 2258}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.44619E-02 ppm1      0.717 ppm2      3.763 CV     1
 ASSI { 2260}
   (( segid "    " and resid 53   and name HG13))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.900     0.900 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.21800E-02 ppm1      1.152 ppm2      3.764 CV     1
 ASSI { 2261}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.100     0.600     0.600 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.10000E-01 ppm1      0.930 ppm2      3.765 CV     1
 ASSI { 2262}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.700     0.700 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.57882E-02 ppm1      4.304 ppm2      3.768 CV     1
 ASSI { 2263}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.600     1.600 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.45799E-03 ppm1      3.063 ppm2      3.810 CV     1
 ASSI { 2264}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 53   and name HA  ))
      3.500     1.500     1.500 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.47247E-03 ppm1      2.705 ppm2      3.775 CV     1
 ASSI { 2265}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.000     1.100     1.100 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.11731E-02 ppm1      2.013 ppm2      3.791 CV     1
 ASSI { 2266}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      2.700     0.900     0.900 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.23845E-02 ppm1      3.785 ppm2      1.889 CV     1
 ASSI { 2268}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HB  ))
      2.400     0.700     0.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.46722E-02 ppm1      0.727 ppm2      1.902 CV     1
 ASSI { 2269}
   (( segid "    " and resid 53   and name HG13))
   (( segid "    " and resid 53   and name HB  ))
      2.700     0.900     0.900 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.24232E-02 ppm1      1.153 ppm2      1.881 CV     1
 ASSI { 2270}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HB  ))
      2.000     0.500     0.500 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.15605E-01 ppm1      0.931 ppm2      1.875 CV     1
 ASSI { 2271}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      3.400     1.400     1.400 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.59850E-03 ppm1      4.284 ppm2      1.877 CV     1
 ASSI { 2275}
   (( segid "    " and resid 53   and name HG13))
   (  segid "    " and resid 53   and name HD1%)
      2.500     0.800     0.800 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      1.154 ppm2      0.713 CV     1
 ASSI { 2276}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 53   and name HD1%)
      2.800     1.000     1.000 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.19655E-02 ppm1      4.307 ppm2      0.714 CV     1
 ASSI { 2277}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 53   and name HD1%)
      3.100     1.200     1.200 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.95108E-03 ppm1      4.008 ppm2      0.704 CV     1
 ASSI { 2278}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG12))
      2.700     0.900     0.900 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.20803E-02 ppm1      3.785 ppm2      1.354 CV     1
 ASSI { 2279}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HG12))
      2.500     0.800     0.800 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.34566E-02 ppm1      1.896 ppm2      1.344 CV     1
 ASSI { 2280}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HG12))
      2.300     0.600     0.600 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.67681E-02 ppm1      0.725 ppm2      1.338 CV     1
 ASSI { 2282}
   (( segid "    " and resid 53   and name HG13))
   (( segid "    " and resid 53   and name HG12))
      1.900     0.400     0.400 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.21462E-01 ppm1      1.148 ppm2      1.327 CV     1
 ASSI { 2283}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HG12))
      2.300     0.700     0.700 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.57283E-02 ppm1      0.932 ppm2      1.341 CV     1
 ASSI { 2287}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 53   and name HG13))
      3.300     1.300     1.300 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.71584E-03 ppm1      4.306 ppm2      1.129 CV     1
 ASSI { 2290}
   (( segid "    " and resid 53   and name HG13))
   (  segid "    " and resid 53   and name HG2%)
      2.300     0.600     0.600 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.64046E-02 ppm1      1.149 ppm2      0.945 CV     1
 ASSI { 2292}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      3.000     1.100     1.100 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.12622E-02 ppm1      4.288 ppm2      0.923 CV     1
 ASSI { 2293}
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      2.500     0.800     0.800 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.34048E-02 ppm1      4.305 ppm2      0.900 CV     1
 ASSI { 2294}
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 53   and name HG2%)
      3.200     1.300     1.300 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.82619E-03 ppm1      3.054 ppm2      0.907 CV     1
 ASSI { 2295}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 53   and name HG2%)
      3.100     3.100     2.900 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.97020E-03 ppm1      2.700 ppm2      0.914 CV     1
 ASSI { 2296}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.000     0.500     0.500 peak  2296 spectrum    1 weight  0.10000E+01 volume  0.13279E-01 ppm1      3.964 ppm2      8.213 CV     1
 ASSI { 2297}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.28888E-02 ppm1      0.738 ppm2      8.215 CV     1
 ASSI { 2298}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.000     1.000 peak  2298 spectrum    1 weight  0.10000E+01 volume  0.15637E-02 ppm1      3.785 ppm2      8.196 CV     1
 ASSI { 2299}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      0.726 ppm2      8.205 CV     1
 ASSI { 2301}
   (( segid "    " and resid 53   and name HG13))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.19950E-02 ppm1      1.154 ppm2      8.206 CV     1
 ASSI { 2302}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.17380E-02 ppm1      0.933 ppm2      8.204 CV     1
 ASSI { 2305}
   (  segid "    " and resid 54   and name HB% )
   (( segid "    " and resid 54   and name HA  ))
      1.900     0.500     0.500 peak  2305 spectrum    1 weight  0.10000E+01 volume  0.18812E-01 ppm1      1.365 ppm2      4.270 CV     1
 ASSI { 2308}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.100     1.200     1.200 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.10012E-02 ppm1      3.785 ppm2      7.737 CV     1
 ASSI { 2310}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.43478E-02 ppm1      0.933 ppm2      7.728 CV     1
 ASSI { 2313}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.10278E-02 ppm1      0.732 ppm2      4.928 CV     1
 ASSI { 2315}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
      2.100     0.500     0.500 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.11781E-01 ppm1      3.652 ppm2      4.913 CV     1
 OR { 2315}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 2317}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.900     0.900 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.27914E-02 ppm1      4.142 ppm2      4.921 CV     1
 ASSI { 2318}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      3.100     1.200     1.200 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.97684E-03 ppm1      1.917 ppm2      4.935 CV     1
 ASSI { 2322}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 55   and name HB3 ))
      3.100     1.200     1.200 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.10921E-02 ppm1      2.298 ppm2      3.635 CV     1
 OR { 2322}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2323}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 55   and name HB3 ))
      3.100     1.200     1.200 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.97999E-03 ppm1      2.216 ppm2      3.647 CV     1
 OR { 2323}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 55   and name HB2 ))
 ASSI { 2328}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      3.300     1.400     1.400 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.64246E-03 ppm1      2.310 ppm2      7.915 CV     1
 ASSI { 2330}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.42498E-02 ppm1      1.768 ppm2      4.318 CV     1
 ASSI { 2331}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
      2.800     1.000     1.000 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.19737E-02 ppm1      1.537 ppm2      4.304 CV     1
 ASSI { 2333}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.42394E-03 ppm1      5.729 ppm2      4.338 CV     1
 ASSI { 2335}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
      2.000     0.500     0.500 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.16131E-01 ppm1      1.540 ppm2      1.739 CV     1
 ASSI { 2339}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB3 ))
      2.600     0.900     0.900 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.26066E-02 ppm1      0.738 ppm2      1.540 CV     1
 ASSI { 2341}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HE3 ))
      3.000     1.200     1.200 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.11312E-02 ppm1      0.728 ppm2      2.938 CV     1
 OR { 2341}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HE2 ))
 ASSI { 2344}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG3 ))
      2.400     0.700     0.700 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.48373E-02 ppm1      4.322 ppm2      1.316 CV     1
 OR { 2344}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HG2 ))
 ASSI { 2345}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HG2 ))
      2.100     0.600     0.600 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.99821E-02 ppm1      1.536 ppm2      1.316 CV     1
 OR { 2345}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HG3 ))
 ASSI { 2349}
   (( segid "    " and resid 56   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.72119E-03 ppm1      1.330 ppm2      8.343 CV     1
 OR { 2349}
   (( segid "    " and resid 56   and name HG3 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2350}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.29768E-03 ppm1      5.723 ppm2      8.350 CV     1
 ASSI { 2351}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.25511E-02 ppm1      1.054 ppm2      8.365 CV     1
 ASSI { 2353}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     1.900     1.900 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.26628E-03 ppm1      1.883 ppm2      8.391 CV     1
 ASSI { 2357}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.800     0.800 peak  2357 spectrum    1 weight  0.10000E+01 volume  0.29148E-02 ppm1      2.424 ppm2      5.712 CV     1
 ASSI { 2358}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      3.400     1.500     1.500 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.53905E-03 ppm1      4.098 ppm2      5.713 CV     1
 ASSI { 2360}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      0.733 ppm2      5.709 CV     1
 ASSI { 2361}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      2.200     0.600     0.600 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.69134E-02 ppm1      4.916 ppm2      5.711 CV     1
 ASSI { 2362}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 57   and name HA  ))
      3.100     1.200     1.200 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.94264E-03 ppm1      1.046 ppm2      5.701 CV     1
 ASSI { 2363}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.600     0.900     0.900 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.27818E-02 ppm1      5.729 ppm2      2.729 CV     1
 ASSI { 2366}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.000     0.500     0.500 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.16194E-01 ppm1      2.753 ppm2      2.420 CV     1
 ASSI { 2368}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.400     1.500     1.500 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.56220E-03 ppm1      4.913 ppm2      2.447 CV     1
 ASSI { 2369}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.900     1.100     1.100 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.14987E-02 ppm1      3.202 ppm2      2.395 CV     1
 ASSI { 2370}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD21))
      3.600     1.600     1.600 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.44486E-03 ppm1      5.723 ppm2      7.654 CV     1
 ASSI { 2371}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HD21))
      2.800     0.900     0.900 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.20512E-02 ppm1      2.421 ppm2      7.641 CV     1
 ASSI { 2372}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 57   and name HD21))
      3.700     1.700     1.700 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.36493E-03 ppm1      3.202 ppm2      7.648 CV     1
 ASSI { 2373}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HD22))
      2.900     1.100     1.100 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.13978E-02 ppm1      2.764 ppm2      6.944 CV     1
 ASSI { 2374}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HD22))
      3.200     1.200     1.200 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.91211E-03 ppm1      2.423 ppm2      6.963 CV     1
 ASSI { 2375}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 57   and name HD22))
      3.000     1.100     1.100 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.13279E-02 ppm1      0.851 ppm2      6.945 CV     1
 ASSI { 2376}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 57   and name HD22))
      3.700     1.800     1.800 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.32384E-03 ppm1      3.217 ppm2      6.951 CV     1
 ASSI { 2379}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.21469E-02 ppm1      5.728 ppm2      8.657 CV     1
 ASSI { 2384}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.200     0.600     0.600 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.73451E-02 ppm1      0.733 ppm2      4.074 CV     1
 ASSI { 2385}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.200     2.200     3.800 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.69507E-02 ppm1      0.682 ppm2      4.069 CV     1
 ASSI { 2386}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      3.400     1.400     1.400 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.59588E-03 ppm1      1.679 ppm2      4.079 CV     1
 ASSI { 2387}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.50666E-03 ppm1      1.386 ppm2      4.078 CV     1
 ASSI { 2389}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.34303E-02 ppm1      4.094 ppm2      1.725 CV     1
 ASSI { 2391}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.000     0.500     0.500 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.13489E-01 ppm1      0.735 ppm2      1.738 CV     1
 ASSI { 2394}
   (( segid "    " and resid 56   and name HE2 ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.700     0.700 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.47301E-02 ppm1      2.930 ppm2      0.695 CV     1
 OR { 2394}
   (( segid "    " and resid 56   and name HE3 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2395}
   (( segid "    " and resid 56   and name HG2 ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.700     0.700 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.42579E-02 ppm1      1.324 ppm2      0.725 CV     1
 ASSI { 2398}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      1.800     0.400     0.400 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.22982E-01 ppm1      1.750 ppm2      0.693 CV     1
 ASSI { 2400}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.100     0.500     0.500 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.10826E-01 ppm1      5.728 ppm2      9.342 CV     1
 ASSI { 2401}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.400     1.500     1.500 peak  2401 spectrum    1 weight  0.10000E+01 volume  0.56582E-03 ppm1      2.747 ppm2      9.336 CV     1
 ASSI { 2402}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.29796E-02 ppm1      4.095 ppm2      9.345 CV     1
 ASSI { 2403}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.500     0.800     0.800 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      0.734 ppm2      9.344 CV     1
 ASSI { 2404}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.000     1.000 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      0.683 ppm2      9.325 CV     1
 ASSI { 2405}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      3.800     1.800     1.800 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.31751E-03 ppm1      5.689 ppm2      9.339 CV     1
 ASSI { 2408}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.24571E-02 ppm1      1.395 ppm2      4.584 CV     1
 ASSI { 2409}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.10611E-02 ppm1      1.744 ppm2      4.582 CV     1
 ASSI { 2410}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 59   and name HA  ))
      2.300     0.700     0.700 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.62905E-02 ppm1      5.695 ppm2      4.594 CV     1
 ASSI { 2411}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.23253E-02 ppm1      4.597 ppm2      1.663 CV     1
 ASSI { 2413}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.000     0.500     0.500 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.13879E-01 ppm1      1.397 ppm2      1.661 CV     1
 ASSI { 2414}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB2 ))
      2.000     0.500     0.500 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.12652E-01 ppm1      0.825 ppm2      1.695 CV     1
 ASSI { 2415}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.400     1.400     1.400 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.60767E-03 ppm1      5.694 ppm2      1.695 CV     1
 ASSI { 2418}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HB3 ))
      2.400     0.700     0.700 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.46818E-02 ppm1      0.826 ppm2      1.387 CV     1
 ASSI { 2419}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HB3 ))
      2.200     0.600     0.600 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.82102E-02 ppm1      0.431 ppm2      1.386 CV     1
 ASSI { 2420}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.400     1.500     1.500 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.55158E-03 ppm1      5.696 ppm2      1.379 CV     1
 ASSI { 2424}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 59   and name HD1%)
      2.000     0.500     0.500 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.12237E-01 ppm1      0.430 ppm2      0.807 CV     1
 ASSI { 2425}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      2.500     0.800     0.800 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.40589E-02 ppm1      4.308 ppm2      0.810 CV     1
 ASSI { 2426}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      2.400     0.700     0.700 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.43401E-02 ppm1      4.596 ppm2      0.411 CV     1
 ASSI { 2427}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      2.800     1.000     1.000 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.18067E-02 ppm1      1.677 ppm2      0.413 CV     1
 ASSI { 2431}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      2.900     1.000     1.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.16071E-02 ppm1      1.880 ppm2      0.423 CV     1
 ASSI { 2432}
   (( segid "    " and resid 86   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      2.900     1.000     1.000 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.15323E-02 ppm1      1.396 ppm2      0.405 CV     1
 ASSI { 2433}
   (( segid "    " and resid 86   and name HD2 ))
   (  segid "    " and resid 59   and name HD2%)
      2.900     1.100     1.100 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.14777E-02 ppm1      1.741 ppm2      0.417 CV     1
 ASSI { 2434}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      2.900     1.000     1.000 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.16215E-02 ppm1      4.905 ppm2      0.411 CV     1
 ASSI { 2435}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      2.700     0.900     0.900 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.24108E-02 ppm1      5.695 ppm2      0.420 CV     1
 ASSI { 2438}
   (( segid "    " and resid 103  and name HA2 ))
   (  segid "    " and resid 59   and name HD2%)
      3.700     1.700     1.700 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.35421E-03 ppm1      4.364 ppm2      0.415 CV     1
 ASSI { 2439}
   (( segid "    " and resid 103  and name HA1 ))
   (  segid "    " and resid 59   and name HD2%)
      3.500     1.500     1.500 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.49361E-03 ppm1      3.306 ppm2      0.417 CV     1
 ASSI { 2441}
   (( segid "    " and resid 104  and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      3.200     1.300     1.300 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.78158E-03 ppm1      3.824 ppm2      0.409 CV     1
 ASSI { 2442}
   (( segid "    " and resid 104  and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      3.100     1.200     1.200 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.97415E-03 ppm1      3.609 ppm2      0.417 CV     1
 ASSI { 2443}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      3.200     1.300     1.300 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.84518E-03 ppm1      2.637 ppm2      0.365 CV     1
 ASSI { 2445}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.000     0.500     0.500 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.15269E-01 ppm1      4.093 ppm2      8.041 CV     1
 ASSI { 2446}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.100     1.200     1.200 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.10519E-02 ppm1      4.604 ppm2      8.053 CV     1
 ASSI { 2449}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      3.200     1.300     1.300 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.78147E-03 ppm1      0.823 ppm2      8.018 CV     1
 ASSI { 2450}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HN  ))
      3.800     1.800     1.800 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.30207E-03 ppm1      1.737 ppm2      7.997 CV     1
 ASSI { 2451}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.600     1.600 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.44778E-03 ppm1      5.698 ppm2      8.033 CV     1
 ASSI { 2455}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.88815E-02 ppm1      0.461 ppm2      4.019 CV     1
 ASSI { 2456}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      2.100     0.600     0.600 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.91723E-02 ppm1      4.031 ppm2      4.576 CV     1
 ASSI { 2458}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.000     0.500     0.500 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.15494E-01 ppm1      0.461 ppm2      4.566 CV     1
 ASSI { 2466}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.39217E-02 ppm1      4.598 ppm2      8.589 CV     1
 ASSI { 2468}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      3.300     1.400     1.400 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.70654E-03 ppm1      0.819 ppm2      8.616 CV     1
 ASSI { 2469}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 60   and name HN  ))
      2.300     0.700     0.700 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.53826E-02 ppm1      0.429 ppm2      8.613 CV     1
 ASSI { 2470}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 60   and name HN  ))
      3.100     1.200     1.200 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.10170E-02 ppm1      1.746 ppm2      8.606 CV     1
 ASSI { 2472}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     1.400     1.400 peak  2472 spectrum    1 weight  0.10000E+01 volume  0.58296E-03 ppm1      1.895 ppm2      8.617 CV     1
 ASSI { 2473}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.34808E-03 ppm1      1.406 ppm2      8.635 CV     1
 ASSI { 2474}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      3.000     1.100     1.100 peak  2474 spectrum    1 weight  0.10000E+01 volume  0.12546E-02 ppm1      5.697 ppm2      8.594 CV     1
 ASSI { 2477}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.700     0.900     0.900 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.21686E-02 ppm1      4.036 ppm2      1.254 CV     1
 ASSI { 2478}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HG2%)
      2.100     0.600     0.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.98897E-02 ppm1      4.192 ppm2      1.227 CV     1
 ASSI { 2481}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      3.000     1.100     1.100 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.12689E-02 ppm1      0.459 ppm2      8.433 CV     1
 ASSI { 2482}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.37459E-02 ppm1      4.191 ppm2      8.457 CV     1
 ASSI { 2483}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      2.300     0.700     0.700 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.63784E-02 ppm1      1.258 ppm2      8.454 CV     1
 ASSI { 2485}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.800     1.800     1.800 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.28870E-03 ppm1      4.573 ppm2      3.603 CV     1
 OR { 2485}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI { 2486}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.300     0.600     0.600 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.65442E-02 ppm1      4.586 ppm2      3.606 CV     1
 OR { 2486}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 2488}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak  2488 spectrum    1 weight  0.10000E+01 volume  0.15230E-02 ppm1      4.032 ppm2      7.520 CV     1
 ASSI { 2489}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.900     0.900 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.28360E-02 ppm1      4.570 ppm2      7.528 CV     1
 ASSI { 2491}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.15756E-02 ppm1      4.194 ppm2      7.517 CV     1
 ASSI { 2492}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.18100E-02 ppm1      4.311 ppm2      7.525 CV     1
 ASSI { 2494}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.36459E-02 ppm1      3.623 ppm2      7.512 CV     1
 OR { 2494}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2495}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.13188E-02 ppm1      1.568 ppm2      7.495 CV     1
 ASSI { 2497}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.24035E-02 ppm1      1.734 ppm2      4.135 CV     1
 ASSI { 2501}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HA  ))
      2.600     0.900     0.900 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.27401E-02 ppm1      2.141 ppm2      4.131 CV     1
 ASSI { 2502}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.61222E-03 ppm1      4.940 ppm2      4.124 CV     1
 ASSI { 2503}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.18056E-02 ppm1      4.504 ppm2      4.136 CV     1
 ASSI { 2505}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 63   and name HB2 ))
      2.200     0.600     0.600 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.81798E-02 ppm1      0.943 ppm2      1.674 CV     1
 ASSI { 2506}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.300     0.700     0.700 peak  2506 spectrum    1 weight  0.10000E+01 volume  0.58086E-02 ppm1      4.145 ppm2      1.658 CV     1
 ASSI { 2508}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.400     1.400     1.400 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.57681E-03 ppm1      5.441 ppm2      1.678 CV     1
 ASSI { 2509}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.000     1.100     1.100 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.13406E-02 ppm1      3.950 ppm2      1.662 CV     1
 ASSI { 2510}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.900     1.000     1.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.15529E-02 ppm1      4.936 ppm2      1.663 CV     1
 ASSI { 2513}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 63   and name HG3 ))
      2.700     0.900     0.900 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.21365E-02 ppm1      4.937 ppm2      2.139 CV     1
 ASSI { 2515}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.200     0.600     0.600 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.75020E-02 ppm1      3.621 ppm2      8.305 CV     1
 OR { 2515}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2516}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.24359E-02 ppm1      4.146 ppm2      8.322 CV     1
 ASSI { 2517}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.42645E-02 ppm1      1.654 ppm2      8.284 CV     1
 ASSI { 2519}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.20192E-02 ppm1      2.142 ppm2      8.304 CV     1
 ASSI { 2521}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.28767E-02 ppm1      3.299 ppm2      4.541 CV     1
 ASSI { 2522}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.25919E-03 ppm1      7.420 ppm2      4.557 CV     1
 ASSI { 2523}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.62927E-03 ppm1      4.148 ppm2      3.256 CV     1
 ASSI { 2526}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HB2 ))
      2.100     0.500     0.500 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.10686E-01 ppm1      2.975 ppm2      3.282 CV     1
 ASSI { 2528}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 64   and name HB2 ))
      2.800     0.900     0.900 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.20475E-02 ppm1      0.691 ppm2      3.274 CV     1
 ASSI { 2531}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 64   and name HB3 ))
      2.400     0.700     0.700 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.44329E-02 ppm1      0.696 ppm2      2.958 CV     1
 ASSI { 2536}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 64   and name HE% )
      4.100     2.100     1.900 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.18707E-03 ppm1      3.197 ppm2      7.153 CV     1
 ASSI { 2537}
   (( segid "    " and resid 44   and name HB3 ))
   (  segid "    " and resid 64   and name HE% )
      3.200     1.300     1.300 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.85077E-03 ppm1      1.879 ppm2      7.084 CV     1
 ASSI { 2538}
   (  segid "    " and resid 48   and name HD1%)
   (  segid "    " and resid 64   and name HE% )
      2.900     1.000     1.000 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      0.761 ppm2      7.103 CV     1
 ASSI { 2540}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 64   and name HE% )
      2.700     0.900     0.900 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.21599E-02 ppm1      0.460 ppm2      7.121 CV     1
 ASSI { 2541}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.200     0.600     0.600 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.85574E-02 ppm1      4.146 ppm2      8.552 CV     1
 ASSI { 2542}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      1.728 ppm2      8.547 CV     1
 ASSI { 2544}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.700     1.700 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.38368E-03 ppm1      2.310 ppm2      8.532 CV     1
 ASSI { 2545}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 64   and name HN  ))
      3.400     1.500     1.500 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.55353E-03 ppm1      2.143 ppm2      8.554 CV     1
 ASSI { 2546}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.19280E-02 ppm1      4.560 ppm2      8.537 CV     1
 ASSI { 2547}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.80024E-03 ppm1      3.295 ppm2      8.559 CV     1
 ASSI { 2549}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.12373E-02 ppm1      4.516 ppm2      8.564 CV     1
 ASSI { 2551}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.100     1.100 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.14900E-02 ppm1      3.561 ppm2      4.883 CV     1
 ASSI { 2552}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.42366E-03 ppm1      1.968 ppm2      4.900 CV     1
 ASSI { 2553}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 65   and name HA  ))
      3.400     1.500     1.500 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.56222E-03 ppm1      1.945 ppm2      4.891 CV     1
 ASSI { 2554}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.38506E-02 ppm1      5.440 ppm2      4.887 CV     1
 ASSI { 2555}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.34540E-02 ppm1      0.945 ppm2      4.891 CV     1
 ASSI { 2556}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.700     0.900     0.900 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.21488E-02 ppm1      3.158 ppm2      3.546 CV     1
 ASSI { 2557}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.800     1.000     1.000 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.18467E-02 ppm1      2.604 ppm2      3.543 CV     1
 ASSI { 2559}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      2.100     0.600     0.600 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.10480E-01 ppm1      2.986 ppm2      3.546 CV     1
 ASSI { 2569}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak  2569 spectrum    1 weight  0.10000E+01 volume  0.32055E-03 ppm1      3.157 ppm2      9.658 CV     1
 ASSI { 2570}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.84597E-02 ppm1      4.557 ppm2      9.663 CV     1
 ASSI { 2573}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.19447E-02 ppm1      4.895 ppm2      9.638 CV     1
 ASSI { 2576}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      2.600     2.600     3.400 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.27729E-02 ppm1      0.794 ppm2      5.343 CV     1
 ASSI { 2577}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      2.600     0.800     0.800 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.31348E-02 ppm1      4.269 ppm2      5.355 CV     1
 ASSI { 2580}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.24643E-02 ppm1      1.205 ppm2      5.356 CV     1
 ASSI { 2582}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HA  ))
      2.100     0.600     0.600 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.10425E-01 ppm1      0.695 ppm2      5.361 CV     1
 ASSI { 2583}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.11687E-02 ppm1      1.947 ppm2      5.379 CV     1
 ASSI { 2584}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 66   and name HB2 ))
      2.800     1.000     1.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.16966E-02 ppm1      0.794 ppm2      1.945 CV     1
 ASSI { 2585}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.28012E-03 ppm1      4.275 ppm2      1.969 CV     1
 ASSI { 2587}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.600     0.800     0.800 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.29622E-02 ppm1      5.374 ppm2      1.920 CV     1
 ASSI { 2589}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.100     0.500     0.500 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.10995E-01 ppm1      1.205 ppm2      1.943 CV     1
 ASSI { 2593}
   (( segid "    " and resid 66   and name HG  ))
   (( segid "    " and resid 66   and name HB3 ))
      2.700     0.900     0.900 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.20938E-02 ppm1      1.947 ppm2      1.170 CV     1
 ASSI { 2594}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 66   and name HD1%)
      2.800     1.000     1.000 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.16963E-02 ppm1      5.371 ppm2      0.886 CV     1
 ASSI { 2595}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HD1%)
      2.600     0.900     0.900 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.26669E-02 ppm1      1.962 ppm2      0.902 CV     1
 ASSI { 2602}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 66   and name HD2%)
      2.900     1.100     1.100 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      1.966 ppm2      0.678 CV     1
 ASSI { 2605}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 66   and name HD2%)
      3.800     1.800     1.800 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.30394E-03 ppm1      5.438 ppm2      0.698 CV     1
 ASSI { 2606}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 66   and name HG  ))
      2.000     0.500     0.500 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.14151E-01 ppm1      0.919 ppm2      1.940 CV     1
 ASSI { 2607}
   (  segid "    " and resid 66   and name HD2%)
   (( segid "    " and resid 66   and name HG  ))
      2.000     0.500     0.500 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.12468E-01 ppm1      0.696 ppm2      1.929 CV     1
 ASSI { 2609}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 66   and name HG  ))
      2.900     1.000     1.000 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      5.440 ppm2      1.933 CV     1
 ASSI { 2610}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.100     0.600     0.600 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.92046E-02 ppm1      4.898 ppm2      9.301 CV     1
 ASSI { 2611}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      3.800     1.800     1.800 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.31563E-03 ppm1      3.556 ppm2      9.299 CV     1
 ASSI { 2612}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.400     1.400 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.63790E-03 ppm1      2.988 ppm2      9.267 CV     1
 ASSI { 2613}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     0.900     0.900 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.20558E-02 ppm1      1.963 ppm2      9.316 CV     1
 ASSI { 2614}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.700     0.900     0.900 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.21362E-02 ppm1      5.441 ppm2      9.285 CV     1
 ASSI { 2615}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.000     2.000     2.000 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.23582E-03 ppm1      1.975 ppm2      5.114 CV     1
 ASSI { 2618}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.100     1.200     1.200 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.96544E-03 ppm1      3.692 ppm2      5.086 CV     1
 ASSI { 2620}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.24113E-02 ppm1      0.940 ppm2      5.105 CV     1
 ASSI { 2621}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.300     1.300 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.75578E-03 ppm1      1.056 ppm2      3.911 CV     1
 ASSI { 2622}
   (( segid "    " and resid 18   and name HB  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.700     1.700 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.38321E-03 ppm1      1.285 ppm2      3.907 CV     1
 ASSI { 2623}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
      2.700     0.900     0.900 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.24392E-02 ppm1      0.386 ppm2      3.912 CV     1
 ASSI { 2624}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.900     0.900 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.27146E-02 ppm1      5.093 ppm2      3.889 CV     1
 ASSI { 2626}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 67   and name HB2 ))
      2.200     0.600     0.600 peak  2626 spectrum    1 weight  0.10000E+01 volume  0.88980E-02 ppm1      0.939 ppm2      3.904 CV     1
 ASSI { 2627}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 67   and name HB3 ))
      2.400     0.700     0.700 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.47751E-02 ppm1      0.385 ppm2      3.653 CV     1
 ASSI { 2629}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 67   and name HB3 ))
      2.500     0.800     0.800 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.36578E-02 ppm1      0.940 ppm2      3.685 CV     1
 ASSI { 2630}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 67   and name HG  ))
      3.000     1.100     1.100 peak  2630 spectrum    1 weight  0.10000E+01 volume  0.12403E-02 ppm1      3.539 ppm2      6.046 CV     1
 ASSI { 2631}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 67   and name HG  ))
      3.900     1.900     1.900 peak  2631 spectrum    1 weight  0.10000E+01 volume  0.26004E-03 ppm1      1.351 ppm2      6.037 CV     1
 ASSI { 2632}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 67   and name HG  ))
      3.200     1.300     1.300 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.77216E-03 ppm1      0.386 ppm2      6.043 CV     1
 ASSI { 2633}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG  ))
      3.600     1.600     1.600 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.41833E-03 ppm1      5.095 ppm2      6.053 CV     1
 ASSI { 2634}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG  ))
      2.900     1.100     1.100 peak  2634 spectrum    1 weight  0.10000E+01 volume  0.14353E-02 ppm1      3.915 ppm2      6.045 CV     1
 ASSI { 2635}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HG  ))
      3.000     1.100     1.100 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.11705E-02 ppm1      3.690 ppm2      6.034 CV     1
 ASSI { 2636}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 67   and name HG  ))
      3.100     1.200     1.200 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.11018E-02 ppm1      0.934 ppm2      6.043 CV     1
 ASSI { 2637}
   (  segid "    " and resid 18   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.80345E-03 ppm1      0.386 ppm2      9.332 CV     1
 ASSI { 2638}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.100     0.500     0.500 peak  2638 spectrum    1 weight  0.10000E+01 volume  0.11036E-01 ppm1      5.371 ppm2      9.356 CV     1
 ASSI { 2639}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     0.900     0.900 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.20603E-02 ppm1      1.206 ppm2      9.332 CV     1
 ASSI { 2641}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.100     1.100 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.13975E-02 ppm1      3.913 ppm2      9.365 CV     1
 ASSI { 2642}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      3.688 ppm2      9.360 CV     1
 ASSI { 2643}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.600     0.600 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.67895E-02 ppm1      4.521 ppm2      5.344 CV     1
 ASSI { 2645}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.41966E-02 ppm1      2.550 ppm2      5.351 CV     1
 OR { 2645}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI { 2646}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.200     1.300     1.300 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.85004E-03 ppm1      5.090 ppm2      2.537 CV     1
 OR { 2646}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2650}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 68   and name HB3 ))
      2.500     0.800     0.800 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.40401E-02 ppm1      1.763 ppm2      2.544 CV     1
 OR { 2650}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2651}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 68   and name HB3 ))
      3.800     1.800     1.800 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.31800E-03 ppm1      5.217 ppm2      2.548 CV     1
 OR { 2651}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
 ASSI { 2652}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.100     0.500     0.500 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.10760E-01 ppm1      5.093 ppm2      9.367 CV     1
 ASSI { 2653}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.700     0.700 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.63469E-02 ppm1      2.545 ppm2      9.366 CV     1
 ASSI { 2654}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.900     0.900 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.27145E-02 ppm1      1.857 ppm2      9.368 CV     1
 ASSI { 2655}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.900     1.100     1.100 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.14534E-02 ppm1      5.220 ppm2      9.366 CV     1
 ASSI { 2659}
   (  segid "    " and resid 24   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.29883E-02 ppm1      0.028 ppm2      2.474 CV     1
 ASSI { 2660}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.17238E-02 ppm1     -0.043 ppm2      2.485 CV     1
 ASSI { 2661}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.500     1.500 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.54244E-03 ppm1      1.614 ppm2      2.440 CV     1
 ASSI { 2662}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.700     0.900     0.900 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.23793E-02 ppm1      5.197 ppm2      2.459 CV     1
 ASSI { 2664}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.500     0.800     0.800 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.35011E-02 ppm1      5.197 ppm2      2.261 CV     1
 ASSI { 2666}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.25745E-03 ppm1      2.094 ppm2      8.439 CV     1
 ASSI { 2667}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.600     0.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.10175E-01 ppm1      5.366 ppm2      8.421 CV     1
 ASSI { 2668}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  2668 spectrum    1 weight  0.10000E+01 volume  0.16712E-02 ppm1      2.551 ppm2      8.420 CV     1
 OR { 2668}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI { 2669}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.22419E-02 ppm1      5.200 ppm2      8.436 CV     1
 ASSI { 2670}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.21992E-02 ppm1      2.460 ppm2      8.426 CV     1
 ASSI { 2671}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak  2671 spectrum    1 weight  0.10000E+01 volume  0.15433E-02 ppm1      2.286 ppm2      8.435 CV     1
 ASSI { 2673}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.40320E-02 ppm1      2.834 ppm2      5.466 CV     1
 ASSI { 2674}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.900     0.900 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.27432E-02 ppm1      2.711 ppm2      5.474 CV     1
 ASSI { 2676}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      0.912 ppm2      5.456 CV     1
 ASSI { 2677}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.300     1.300     1.300 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.72946E-03 ppm1      5.421 ppm2      2.862 CV     1
 ASSI { 2681}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HD21))
      3.600     1.600     1.600 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.42117E-03 ppm1      5.480 ppm2      7.420 CV     1
 ASSI { 2682}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HD21))
      3.000     1.100     1.100 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.11964E-02 ppm1      2.712 ppm2      7.409 CV     1
 ASSI { 2683}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 70   and name HD22))
      3.100     1.200     1.200 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.10100E-02 ppm1      2.549 ppm2      6.998 CV     1
 OR { 2683}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 70   and name HD22))
 ASSI { 2684}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HD22))
      3.200     1.300     1.300 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.85157E-03 ppm1      2.834 ppm2      6.991 CV     1
 ASSI { 2686}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.100     0.600     0.600 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.98223E-02 ppm1      5.196 ppm2      8.680 CV     1
 ASSI { 2687}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.49200E-03 ppm1      2.461 ppm2      8.667 CV     1
 ASSI { 2688}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.16350E-02 ppm1      5.488 ppm2      8.700 CV     1
 ASSI { 2690}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.500     1.500 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.47175E-03 ppm1      5.489 ppm2      3.656 CV     1
 ASSI { 2692}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.19729E-02 ppm1      2.256 ppm2      3.653 CV     1
 ASSI { 2693}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  2693 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      0.916 ppm2      3.669 CV     1
 ASSI { 2694}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      2.200     0.600     0.600 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.74054E-02 ppm1      0.802 ppm2      3.665 CV     1
 ASSI { 2695}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.19992E-02 ppm1      1.157 ppm2      3.656 CV     1
 ASSI { 2696}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.600     0.600 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.68358E-02 ppm1      4.892 ppm2      3.645 CV     1
 ASSI { 2698}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 71   and name HB  ))
      2.300     0.700     0.700 peak  2698 spectrum    1 weight  0.10000E+01 volume  0.60686E-02 ppm1      4.246 ppm2      2.236 CV     1
 ASSI { 2699}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HB  ))
      3.100     1.200     1.200 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.10230E-02 ppm1      5.490 ppm2      2.223 CV     1
 ASSI { 2702}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 71   and name HB  ))
      2.200     0.600     0.600 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.86055E-02 ppm1      0.916 ppm2      2.232 CV     1
 ASSI { 2703}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 71   and name HB  ))
      2.100     0.500     0.500 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.10684E-01 ppm1      0.803 ppm2      2.235 CV     1
 ASSI { 2708}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.600     0.900     0.900 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.27199E-02 ppm1      3.926 ppm2      0.783 CV     1
 ASSI { 2709}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.900     1.000     1.000 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.15363E-02 ppm1      3.780 ppm2      0.790 CV     1
 ASSI { 2710}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      3.100     1.200     1.200 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.92800E-03 ppm1      4.889 ppm2      0.798 CV     1
 ASSI { 2711}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      3.600     1.700     1.700 peak  2711 spectrum    1 weight  0.10000E+01 volume  0.38329E-03 ppm1      1.902 ppm2      8.888 CV     1
 ASSI { 2714}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 71   and name HN  ))
      3.000     1.100     1.100 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.12296E-02 ppm1      2.711 ppm2      8.889 CV     1
 ASSI { 2715}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.600     0.800     0.800 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.30235E-02 ppm1      3.670 ppm2      8.894 CV     1
 ASSI { 2718}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.20253E-02 ppm1      0.804 ppm2      8.884 CV     1
 ASSI { 2721}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HG2%)
      2.700     0.900     0.900 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.24552E-02 ppm1      4.620 ppm2      1.134 CV     1
 ASSI { 2722}
   (( segid "    " and resid 72   and name HB  ))
   (  segid "    " and resid 72   and name HG2%)
      2.300     0.700     0.700 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.57217E-02 ppm1      4.569 ppm2      1.139 CV     1
 ASSI { 2728}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.97316E-03 ppm1      0.918 ppm2      8.064 CV     1
 ASSI { 2729}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      2.300     0.600     0.600 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.68517E-02 ppm1      0.803 ppm2      8.059 CV     1
 ASSI { 2730}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.22135E-02 ppm1      4.891 ppm2      8.055 CV     1
 ASSI { 2732}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.500     0.500 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.10666E-01 ppm1      3.994 ppm2      4.185 CV     1
 ASSI { 2733}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.200     0.600     0.600 peak  2733 spectrum    1 weight  0.10000E+01 volume  0.81042E-02 ppm1      3.863 ppm2      4.203 CV     1
 ASSI { 2736}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak  2736 spectrum    1 weight  0.10000E+01 volume  0.38884E-02 ppm1      4.207 ppm2      8.070 CV     1
 ASSI { 2737}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  2737 spectrum    1 weight  0.10000E+01 volume  0.18203E-02 ppm1      3.992 ppm2      8.062 CV     1
 ASSI { 2738}
   (( segid "    " and resid 73   and name HB3 ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.23615E-02 ppm1      3.864 ppm2      8.076 CV     1
 ASSI { 2739}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.400     1.500     1.500 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.54921E-03 ppm1      4.666 ppm2      8.065 CV     1
 ASSI { 2741}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.000     0.500     0.500 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.12780E-01 ppm1      3.835 ppm2      4.660 CV     1
 ASSI { 2742}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.77734E-02 ppm1      3.505 ppm2      4.657 CV     1
 ASSI { 2746}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.500     0.800     0.800 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.33382E-02 ppm1      1.536 ppm2      3.074 CV     1
 OR { 2746}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI { 2747}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.900     1.900     1.900 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.26099E-03 ppm1      3.828 ppm2      3.079 CV     1
 OR { 2747}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI { 2748}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 74   and name HD3 ))
      3.800     1.800     1.800 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.28984E-03 ppm1      3.500 ppm2      3.091 CV     1
 OR { 2748}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 2749}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HE  ))
      2.800     1.000     1.000 peak  2749 spectrum    1 weight  0.10000E+01 volume  0.16883E-02 ppm1      3.092 ppm2      7.041 CV     1
 OR { 2749}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HE  ))
 ASSI { 2750}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HE  ))
      3.400     1.500     1.500 peak  2750 spectrum    1 weight  0.10000E+01 volume  0.53875E-03 ppm1      1.497 ppm2      7.032 CV     1
 ASSI { 2752}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HG3 ))
      2.000     0.500     0.500 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.14074E-01 ppm1      3.094 ppm2      1.504 CV     1
 OR { 2752}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI { 2754}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 74   and name HG3 ))
      2.900     1.000     1.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.15306E-02 ppm1      3.834 ppm2      1.497 CV     1
 ASSI { 2755}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 74   and name HG3 ))
      2.700     0.900     0.900 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.24438E-02 ppm1      3.503 ppm2      1.510 CV     1
 ASSI { 2757}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.17076E-02 ppm1      4.205 ppm2      7.701 CV     1
 ASSI { 2758}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HN  ))
      2.800     1.000     1.000 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.20310E-02 ppm1      1.405 ppm2      7.693 CV     1
 ASSI { 2759}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.900     1.000     1.000 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      1.534 ppm2      7.696 CV     1
 ASSI { 2760}
   (( segid "    " and resid 75   and name HD2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.39408E-03 ppm1      3.837 ppm2      7.696 CV     1
 ASSI { 2761}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.22483E-03 ppm1      3.515 ppm2      7.706 CV     1
 ASSI { 2765}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.800     0.400     0.400 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.23943E-01 ppm1      1.758 ppm2      2.186 CV     1
 ASSI { 2766}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HB2 ))
      3.000     1.200     1.200 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.11282E-02 ppm1      3.504 ppm2      2.193 CV     1
 ASSI { 2769}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HB3 ))
      2.700     0.900     0.900 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.23427E-02 ppm1      3.505 ppm2      1.768 CV     1
 ASSI { 2770}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 75   and name HD2 ))
      3.700     1.700     1.700 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.36103E-03 ppm1      1.409 ppm2      3.840 CV     1
 ASSI { 2771}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HD2 ))
      3.300     1.400     1.400 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.64900E-03 ppm1      1.533 ppm2      3.816 CV     1
 ASSI { 2774}
   (( segid "    " and resid 75   and name HD3 ))
   (( segid "    " and resid 75   and name HD2 ))
      1.900     0.400     0.400 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.21140E-01 ppm1      3.504 ppm2      3.821 CV     1
 ASSI { 2775}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 75   and name HD3 ))
      3.300     1.400     1.400 peak  2775 spectrum    1 weight  0.10000E+01 volume  0.71006E-03 ppm1      1.532 ppm2      3.497 CV     1
 ASSI { 2780}
   (( segid "    " and resid 75   and name HG2 ))
   (( segid "    " and resid 75   and name HD3 ))
      2.500     0.800     0.800 peak  2780 spectrum    1 weight  0.10000E+01 volume  0.38116E-02 ppm1      2.008 ppm2      3.495 CV     1
 ASSI { 2783}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.95808E-03 ppm1      3.311 ppm2      3.764 CV     1
 ASSI { 2784}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.92962E-03 ppm1      3.281 ppm2      3.761 CV     1
 ASSI { 2788}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.300     1.400     1.400 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.70787E-03 ppm1      3.312 ppm2      4.117 CV     1
 ASSI { 2790}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.600     0.800     0.800 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.31390E-02 ppm1      3.780 ppm2      4.126 CV     1
 ASSI { 2792}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.100     0.600     0.600 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.92459E-02 ppm1      2.612 ppm2      4.122 CV     1
 ASSI { 2793}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.900     1.000     1.000 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.16247E-02 ppm1      3.310 ppm2      2.593 CV     1
 ASSI { 2795}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB3 ))
      2.600     0.800     0.800 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.32026E-02 ppm1      3.781 ppm2      2.595 CV     1
 ASSI { 2798}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.600     1.600     1.600 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.43112E-03 ppm1      3.311 ppm2      8.586 CV     1
 ASSI { 2799}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.51584E-03 ppm1      3.269 ppm2      8.577 CV     1
 ASSI { 2800}
   (  segid "    " and resid 71   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.300     1.300 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.74211E-03 ppm1      0.923 ppm2      8.578 CV     1
 ASSI { 2801}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.38170E-02 ppm1      0.802 ppm2      8.578 CV     1
 ASSI { 2802}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.100     0.500     0.500 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.11748E-01 ppm1      3.927 ppm2      8.573 CV     1
 ASSI { 2803}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.27910E-02 ppm1      2.210 ppm2      8.580 CV     1
 ASSI { 2804}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 76   and name HN  ))
      2.900     1.100     1.100 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.14345E-02 ppm1      1.760 ppm2      8.585 CV     1
 ASSI { 2805}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.200     0.600     0.600 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.72481E-02 ppm1      3.781 ppm2      8.572 CV     1
 ASSI { 2806}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.47643E-03 ppm1      4.136 ppm2      8.570 CV     1
 ASSI { 2809}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  2809 spectrum    1 weight  0.10000E+01 volume  0.45694E-02 ppm1      1.564 ppm2      4.656 CV     1
 ASSI { 2810}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.41185E-02 ppm1      1.481 ppm2      4.654 CV     1
 ASSI { 2813}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HB3 ))
      2.100     0.500     0.500 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.10829E-01 ppm1      1.130 ppm2      1.502 CV     1
 OR { 2813}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HB3 ))
 ASSI { 2816}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HE2 ))
      2.700     0.900     0.900 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.24317E-02 ppm1      1.505 ppm2      2.844 CV     1
 ASSI { 2819}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 77   and name HG3 ))
      2.600     0.900     0.900 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.26481E-02 ppm1      3.084 ppm2      1.089 CV     1
 OR { 2819}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 77   and name HG3 ))
 OR { 2819}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI { 2820}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG3 ))
      2.200     0.600     0.600 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.75843E-02 ppm1      1.569 ppm2      1.126 CV     1
 OR { 2820}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI { 2822}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG2 ))
      2.400     0.700     0.700 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.46849E-02 ppm1      1.497 ppm2      1.120 CV     1
 OR { 2822}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 77   and name HG3 ))
 ASSI { 2824}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.42578E-02 ppm1      0.803 ppm2      6.995 CV     1
 ASSI { 2825}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.000     1.100     1.100 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      3.938 ppm2      6.991 CV     1
 ASSI { 2826}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.18821E-02 ppm1      3.781 ppm2      6.992 CV     1
 ASSI { 2827}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     1.000     1.000 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.17459E-02 ppm1      1.564 ppm2      7.005 CV     1
 ASSI { 2829}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.900     1.100     1.100 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.14100E-02 ppm1      1.127 ppm2      7.005 CV     1
 OR { 2829}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 2830}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.25078E-03 ppm1      2.302 ppm2      4.891 CV     1
 ASSI { 2832}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.50513E-02 ppm1      1.160 ppm2      4.867 CV     1
 ASSI { 2834}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.54716E-02 ppm1      2.623 ppm2      4.890 CV     1
 OR { 2834}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2835}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 78   and name HB2 ))
      2.500     0.800     0.800 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.37876E-02 ppm1      2.963 ppm2      2.582 CV     1
 ASSI { 2838}
   (( segid "    " and resid 24   and name HB3 ))
   (  segid "    " and resid 78   and name HE% )
      3.200     1.300     1.300 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.79396E-03 ppm1      1.466 ppm2      6.551 CV     1
 OR { 2838}
   (( segid "    " and resid 24   and name HB2 ))
   (  segid "    " and resid 78   and name HE% )
 ASSI { 2839}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 78   and name HE% )
      3.100     1.200     1.200 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.98537E-03 ppm1      3.778 ppm2      6.563 CV     1
 ASSI { 2842}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.700     1.700 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.38080E-03 ppm1      2.303 ppm2      9.622 CV     1
 ASSI { 2843}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.900     1.900     1.900 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.25980E-03 ppm1      3.676 ppm2      9.583 CV     1
 ASSI { 2844}
   (  segid "    " and resid 71   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.35780E-03 ppm1      0.791 ppm2      9.598 CV     1
 ASSI { 2845}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.500     1.500 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.48262E-03 ppm1      1.155 ppm2      9.595 CV     1
 ASSI { 2846}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.200     1.300     1.300 peak  2846 spectrum    1 weight  0.10000E+01 volume  0.83307E-03 ppm1      1.565 ppm2      9.607 CV     1
 ASSI { 2847}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.400     1.400 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.62935E-03 ppm1      1.482 ppm2      9.612 CV     1
 ASSI { 2848}
   (( segid "    " and resid 77   and name HD3 ))
   (( segid "    " and resid 78   and name HN  ))
      3.500     1.500     1.500 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.47240E-03 ppm1      1.498 ppm2      9.603 CV     1
 ASSI { 2849}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.30765E-02 ppm1      2.620 ppm2      9.605 CV     1
 OR { 2849}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2851}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.400     0.700     0.700 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.43233E-02 ppm1      1.800 ppm2      4.609 CV     1
 ASSI { 2852}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.40290E-02 ppm1      1.673 ppm2      4.605 CV     1
 ASSI { 2853}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.500     0.800     0.800 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.34682E-02 ppm1      1.386 ppm2      4.588 CV     1
 OR { 2853}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 2854}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     3.100     2.900 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.92737E-03 ppm1      1.796 ppm2      4.589 CV     1
 ASSI { 2856}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HB3 ))
      3.600     1.600     1.600 peak  2856 spectrum    1 weight  0.10000E+01 volume  0.40122E-03 ppm1      4.891 ppm2      1.683 CV     1
 ASSI { 2859}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB3 ))
      1.700     0.400     0.500 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.35545E-01 ppm1      1.387 ppm2      1.656 CV     1
 OR { 2859}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HB3 ))
 ASSI { 2860}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 79   and name HB3 ))
      2.500     0.800     0.800 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.34375E-02 ppm1      1.160 ppm2      1.666 CV     1
 ASSI { 2862}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 79   and name HE3 ))
      2.900     1.100     1.100 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      1.157 ppm2      2.951 CV     1
 OR { 2862}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 79   and name HE2 ))
 ASSI { 2865}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG3 ))
      1.800     0.400     0.400 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.26530E-01 ppm1      1.684 ppm2      1.385 CV     1
 OR { 2865}
   (( segid "    " and resid 79   and name HD3 ))
   (( segid "    " and resid 79   and name HG3 ))
 OR { 2865}
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HG2 ))
 OR { 2865}
   (( segid "    " and resid 79   and name HD3 ))
   (( segid "    " and resid 79   and name HG2 ))
 ASSI { 2867}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.29342E-03 ppm1      2.306 ppm2      8.836 CV     1
 ASSI { 2868}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      3.500     1.500     1.500 peak  2868 spectrum    1 weight  0.10000E+01 volume  0.52024E-03 ppm1      5.189 ppm2      8.856 CV     1
 ASSI { 2869}
   (  segid "    " and resid 72   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.28601E-02 ppm1      1.160 ppm2      8.867 CV     1
 ASSI { 2870}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.200     0.600     0.600 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.75008E-02 ppm1      4.888 ppm2      8.846 CV     1
 ASSI { 2873}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.23323E-02 ppm1      1.798 ppm2      8.845 CV     1
 ASSI { 2874}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.28000E-02 ppm1      1.668 ppm2      8.846 CV     1
 ASSI { 2875}
   (( segid "    " and resid 79   and name HG3 ))
   (( segid "    " and resid 79   and name HN  ))
      3.200     1.300     1.300 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.89099E-03 ppm1      1.386 ppm2      8.858 CV     1
 OR { 2875}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HN  ))
 ASSI { 2878}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.800     0.800 peak  2878 spectrum    1 weight  0.10000E+01 volume  0.29672E-02 ppm1      1.593 ppm2      5.271 CV     1
 ASSI { 2879}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      1.045 ppm2      5.276 CV     1
 ASSI { 2880}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HA  ))
      2.100     0.600     0.600 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.10225E-01 ppm1      0.939 ppm2      5.278 CV     1
 ASSI { 2882}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.500     0.800     0.800 peak  2882 spectrum    1 weight  0.10000E+01 volume  0.36560E-02 ppm1      5.295 ppm2      1.787 CV     1
 ASSI { 2884}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 80   and name HB2 ))
      2.000     0.500     0.500 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.13212E-01 ppm1      1.595 ppm2      1.772 CV     1
 ASSI { 2885}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HB2 ))
      2.200     0.600     0.600 peak  2885 spectrum    1 weight  0.10000E+01 volume  0.84329E-02 ppm1      1.040 ppm2      1.771 CV     1
 ASSI { 2886}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak  2886 spectrum    1 weight  0.10000E+01 volume  0.48413E-02 ppm1      0.942 ppm2      1.774 CV     1
 ASSI { 2890}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HB3 ))
      2.200     2.200     3.800 peak  2890 spectrum    1 weight  0.10000E+01 volume  0.79952E-02 ppm1      1.040 ppm2      1.557 CV     1
 ASSI { 2891}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HB3 ))
      2.100     0.600     0.600 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.96679E-02 ppm1      0.942 ppm2      1.552 CV     1
 ASSI { 2892}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 80   and name HB3 ))
      2.200     0.600     0.600 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.88334E-02 ppm1      1.374 ppm2      1.600 CV     1
 ASSI { 2894}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 80   and name HD1%)
      3.200     1.300     1.300 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.84360E-03 ppm1      2.413 ppm2      1.012 CV     1
 ASSI { 2895}
   (  segid "    " and resid 18   and name HG2%)
   (  segid "    " and resid 80   and name HD1%)
      2.700     2.700     3.300 peak  2895 spectrum    1 weight  0.10000E+01 volume  0.24211E-02 ppm1     -0.043 ppm2      1.015 CV     1
 ASSI { 2897}
   (( segid "    " and resid 82   and name HE3 ))
   (  segid "    " and resid 80   and name HD1%)
      2.500     0.800     0.800 peak  2897 spectrum    1 weight  0.10000E+01 volume  0.36739E-02 ppm1      2.560 ppm2      1.021 CV     1
 ASSI { 2901}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 80   and name HD2%)
      3.000     1.100     1.100 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.11638E-02 ppm1      5.206 ppm2      0.916 CV     1
 ASSI { 2904}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HG  ))
      2.700     0.900     0.900 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.21225E-02 ppm1      5.296 ppm2      1.336 CV     1
 ASSI { 2905}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HG  ))
      2.400     0.700     0.700 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.46539E-02 ppm1      1.792 ppm2      1.356 CV     1
 ASSI { 2907}
   (  segid "    " and resid 80   and name HD1%)
   (( segid "    " and resid 80   and name HG  ))
      1.900     0.500     0.500 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.16398E-01 ppm1      1.033 ppm2      1.341 CV     1
 ASSI { 2908}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 80   and name HG  ))
      1.900     0.500     0.500 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.16737E-01 ppm1      0.940 ppm2      1.332 CV     1
 ASSI { 2911}
   (( segid "    " and resid 79   and name HB3 ))
   (( segid "    " and resid 80   and name HN  ))
      3.100     1.200     1.200 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.10988E-02 ppm1      1.672 ppm2      8.450 CV     1
 ASSI { 2918}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.800     0.800 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.30853E-02 ppm1      1.858 ppm2      4.754 CV     1
 ASSI { 2920}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.900     1.000     1.000 peak  2920 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      1.439 ppm2      4.758 CV     1
 ASSI { 2921}
   (( segid "    " and resid 81   and name HG3 ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      1.310 ppm2      4.747 CV     1
 ASSI { 2922}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 81   and name HB2 ))
      2.400     0.700     0.700 peak  2922 spectrum    1 weight  0.10000E+01 volume  0.42878E-02 ppm1      2.545 ppm2      1.810 CV     1
 OR { 2922}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI { 2924}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      2.200     0.600     0.600 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.74726E-02 ppm1      4.783 ppm2      1.767 CV     1
 ASSI { 2927}
   (( segid "    " and resid 81   and name HE2 ))
   (( segid "    " and resid 81   and name HD2 ))
      2.000     0.500     0.500 peak  2927 spectrum    1 weight  0.10000E+01 volume  0.13737E-01 ppm1      2.971 ppm2      1.701 CV     1
 OR { 2927}
   (( segid "    " and resid 81   and name HE3 ))
   (( segid "    " and resid 81   and name HD2 ))
 OR { 2927}
   (( segid "    " and resid 81   and name HE2 ))
   (( segid "    " and resid 81   and name HD3 ))
 ASSI { 2930}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 81   and name HE2 ))
      3.400     1.500     1.500 peak  2930 spectrum    1 weight  0.10000E+01 volume  0.54163E-03 ppm1      3.857 ppm2      2.926 CV     1
 OR { 2930}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 81   and name HE3 ))
 OR { 2930}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 81   and name HE2 ))
 ASSI { 2933}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.000     0.500     0.500 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.12940E-01 ppm1      5.297 ppm2      9.362 CV     1
 ASSI { 2934}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.400     1.400 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.68430E-03 ppm1      1.785 ppm2      9.360 CV     1
 ASSI { 2935}
   (( segid "    " and resid 80   and name HB3 ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.400     1.400 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.65899E-03 ppm1      1.596 ppm2      9.358 CV     1
 ASSI { 2936}
   (  segid "    " and resid 80   and name HD2%)
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.600     0.600 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.91427E-02 ppm1      0.939 ppm2      9.364 CV     1
 ASSI { 2937}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      1.378 ppm2      9.366 CV     1
 ASSI { 2938}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.900     0.900 peak  2938 spectrum    1 weight  0.10000E+01 volume  0.26629E-02 ppm1      4.782 ppm2      9.354 CV     1
 ASSI { 2940}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.85398E-03 ppm1      4.786 ppm2      5.226 CV     1
 ASSI { 2941}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
      3.600     1.600     1.600 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.39142E-03 ppm1      1.438 ppm2      5.226 CV     1
 ASSI { 2946}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak  2946 spectrum    1 weight  0.10000E+01 volume  0.55919E-02 ppm1      5.221 ppm2      1.764 CV     1
 OR { 2946}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI { 2949}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HD2 ))
      2.600     0.900     0.900 peak  2949 spectrum    1 weight  0.10000E+01 volume  0.28253E-02 ppm1      2.596 ppm2      1.505 CV     1
 ASSI { 2953}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.100     1.200     1.200 peak  2953 spectrum    1 weight  0.10000E+01 volume  0.99624E-03 ppm1      5.095 ppm2      1.508 CV     1
 ASSI { 2954}
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.100     2.100     3.900 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.98492E-02 ppm1      1.377 ppm2      1.535 CV     1
 ASSI { 2955}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.500     0.800     0.800 peak  2955 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      5.220 ppm2      1.507 CV     1
 ASSI { 2957}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG3 ))
      2.700     0.900     0.900 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.24175E-02 ppm1      5.221 ppm2      1.276 CV     1
 ASSI { 2961}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.400     1.500     1.500 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.56758E-03 ppm1      1.527 ppm2      9.171 CV     1
 ASSI { 2962}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HN  ))
      2.800     1.000     1.000 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.17254E-02 ppm1      1.308 ppm2      9.154 CV     1
 ASSI { 2964}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.000     0.500     0.500 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.15400E-01 ppm1      4.798 ppm2      3.866 CV     1
 OR { 2964}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI { 2966}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.300     1.400     1.400 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.68942E-03 ppm1      5.095 ppm2      8.782 CV     1
 ASSI { 2967}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.25314E-02 ppm1      4.800 ppm2      8.786 CV     1
 ASSI { 2972}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.800     0.800 peak  2972 spectrum    1 weight  0.10000E+01 volume  0.29721E-02 ppm1      3.946 ppm2      5.424 CV     1
 ASSI { 2973}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
      2.300     0.600     0.600 peak  2973 spectrum    1 weight  0.10000E+01 volume  0.65481E-02 ppm1      0.942 ppm2      5.419 CV     1
 ASSI { 2976}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HB  ))
      2.100     0.600     0.600 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.10357E-01 ppm1      0.941 ppm2      3.924 CV     1
 ASSI { 2977}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 84   and name HG2%)
      2.700     0.900     0.900 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.24800E-02 ppm1      1.657 ppm2      0.926 CV     1
 ASSI { 2979}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 84   and name HG2%)
      3.800     1.800     1.800 peak  2979 spectrum    1 weight  0.10000E+01 volume  0.31545E-03 ppm1      3.549 ppm2      0.963 CV     1
 ASSI { 2982}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.100     0.500     0.500 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.10955E-01 ppm1      4.798 ppm2      8.386 CV     1
 ASSI { 2984}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     0.800     0.800 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.40992E-02 ppm1      3.947 ppm2      8.388 CV     1
 ASSI { 2985}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      2.304 ppm2      4.923 CV     1
 ASSI { 2989}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
      2.300     0.600     0.600 peak  2989 spectrum    1 weight  0.10000E+01 volume  0.67371E-02 ppm1      0.917 ppm2      3.019 CV     1
 ASSI { 2990}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.100     0.600     0.600 peak  2990 spectrum    1 weight  0.10000E+01 volume  0.96149E-02 ppm1      4.924 ppm2      3.016 CV     1
 ASSI { 2992}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HB2 ))
      1.900     0.500     0.500 peak  2992 spectrum    1 weight  0.10000E+01 volume  0.18941E-01 ppm1      2.618 ppm2      3.000 CV     1
 ASSI { 2993}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 85   and name HB2 ))
      2.300     0.600     0.600 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.63920E-02 ppm1      1.042 ppm2      3.016 CV     1
 ASSI { 2994}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 85   and name HB3 ))
      2.400     0.700     0.700 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.48970E-02 ppm1      0.921 ppm2      2.624 CV     1
 ASSI { 2995}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.500     0.800     0.800 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.38200E-02 ppm1      4.935 ppm2      2.597 CV     1
 ASSI { 2998}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 85   and name HB3 ))
      2.600     0.800     0.800 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      1.046 ppm2      2.627 CV     1
 ASSI { 3000}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HD21))
      3.500     1.500     1.500 peak  3000 spectrum    1 weight  0.10000E+01 volume  0.51297E-03 ppm1      4.942 ppm2      7.781 CV     1
 ASSI { 3003}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 85   and name HD21))
      2.700     0.900     0.900 peak  3003 spectrum    1 weight  0.10000E+01 volume  0.24671E-02 ppm1      1.046 ppm2      7.773 CV     1
 ASSI { 3004}
   (( segid "    " and resid 103  and name HA2 ))
   (( segid "    " and resid 85   and name HD21))
      3.900     1.900     1.900 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.25645E-03 ppm1      4.355 ppm2      7.777 CV     1
 ASSI { 3005}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 85   and name HD21))
      3.900     1.900     1.900 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.24509E-03 ppm1      3.308 ppm2      7.796 CV     1
 ASSI { 3006}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HD22))
      3.800     1.800     1.800 peak  3006 spectrum    1 weight  0.10000E+01 volume  0.29409E-03 ppm1      4.940 ppm2      7.240 CV     1
 ASSI { 3008}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak  3008 spectrum    1 weight  0.10000E+01 volume  0.18090E-02 ppm1      0.918 ppm2      9.094 CV     1
 ASSI { 3010}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 85   and name HN  ))
      3.100     1.200     1.200 peak  3010 spectrum    1 weight  0.10000E+01 volume  0.97442E-03 ppm1      3.948 ppm2      9.085 CV     1
 ASSI { 3011}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 85   and name HN  ))
      2.600     0.800     0.800 peak  3011 spectrum    1 weight  0.10000E+01 volume  0.31301E-02 ppm1      0.940 ppm2      9.082 CV     1
 ASSI { 3013}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.28900E-02 ppm1      1.879 ppm2      4.524 CV     1
 ASSI { 3017}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB3 ))
      2.500     0.800     0.800 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.40771E-02 ppm1      4.503 ppm2      1.374 CV     1
 ASSI { 3018}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HB3 ))
      2.000     0.500     0.500 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.12315E-01 ppm1      1.877 ppm2      1.360 CV     1
 ASSI { 3020}
   (( segid "    " and resid 103  and name HA2 ))
   (( segid "    " and resid 86   and name HB3 ))
      3.600     1.600     1.600 peak  3020 spectrum    1 weight  0.10000E+01 volume  0.42468E-03 ppm1      4.348 ppm2      1.388 CV     1
 ASSI { 3021}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 86   and name HB3 ))
      3.100     1.200     1.200 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.11097E-02 ppm1      3.303 ppm2      1.388 CV     1
 ASSI { 3023}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 86   and name HD2 ))
      2.300     0.600     0.600 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.64720E-02 ppm1      2.831 ppm2      1.753 CV     1
 ASSI { 3028}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 86   and name HG2 ))
      1.700     1.700     4.300 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.37422E-01 ppm1      1.559 ppm2      1.374 CV     1
 ASSI { 3029}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 86   and name HG2 ))
      2.300     0.600     0.600 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.68569E-02 ppm1      2.830 ppm2      1.345 CV     1
 ASSI { 3032}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG3 ))
      2.600     0.800     0.800 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.32203E-02 ppm1      4.505 ppm2      0.978 CV     1
 ASSI { 3033}
   (( segid "    " and resid 86   and name HB3 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.700     0.900     0.900 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.23744E-02 ppm1      1.387 ppm2      0.978 CV     1
 ASSI { 3034}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.700     0.900     0.900 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.25317E-02 ppm1      1.567 ppm2      0.968 CV     1
 ASSI { 3035}
   (( segid "    " and resid 86   and name HE2 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.300     0.700     0.700 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.55009E-02 ppm1      2.826 ppm2      0.990 CV     1
 ASSI { 3036}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HG3 ))
      2.100     0.500     0.500 peak  3036 spectrum    1 weight  0.10000E+01 volume  0.11196E-01 ppm1      1.380 ppm2      0.987 CV     1
 ASSI { 3038}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  3038 spectrum    1 weight  0.10000E+01 volume  0.10791E-02 ppm1      4.145 ppm2      9.106 CV     1
 ASSI { 3039}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.11062E-02 ppm1      1.729 ppm2      9.128 CV     1
 ASSI { 3040}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 86   and name HN  ))
      3.000     3.000     3.000 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.11348E-02 ppm1      1.648 ppm2      9.119 CV     1
 ASSI { 3041}
   (( segid "    " and resid 63   and name HG2 ))
   (( segid "    " and resid 86   and name HN  ))
      3.400     1.400     1.400 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.58099E-03 ppm1      2.308 ppm2      9.142 CV     1
 ASSI { 3042}
   (( segid "    " and resid 63   and name HG3 ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  3042 spectrum    1 weight  0.10000E+01 volume  0.10512E-02 ppm1      2.140 ppm2      9.146 CV     1
 ASSI { 3043}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.100     0.500     0.500 peak  3043 spectrum    1 weight  0.10000E+01 volume  0.11539E-01 ppm1      4.935 ppm2      9.138 CV     1
 ASSI { 3044}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.600     0.800     0.800 peak  3044 spectrum    1 weight  0.10000E+01 volume  0.29750E-02 ppm1      3.043 ppm2      9.132 CV     1
 ASSI { 3045}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  3045 spectrum    1 weight  0.10000E+01 volume  0.18674E-02 ppm1      1.874 ppm2      9.157 CV     1
 ASSI { 3047}
   (( segid "    " and resid 86   and name HD3 ))
   (( segid "    " and resid 86   and name HN  ))
      3.200     1.300     1.300 peak  3047 spectrum    1 weight  0.10000E+01 volume  0.82320E-03 ppm1      1.564 ppm2      9.146 CV     1
 ASSI { 3049}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.500     1.500     1.500 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.51875E-03 ppm1      3.303 ppm2      9.144 CV     1
 ASSI { 3054}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.29023E-03 ppm1      3.133 ppm2      4.905 CV     1
 ASSI { 3055}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
      3.600     1.600     1.600 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.39408E-03 ppm1      2.127 ppm2      4.904 CV     1
 ASSI { 3057}
   (( segid "    " and resid 103  and name HA2 ))
   (( segid "    " and resid 87   and name HA  ))
      3.900     1.900     1.900 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.27219E-03 ppm1      4.372 ppm2      4.904 CV     1
 ASSI { 3058}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 87   and name HA  ))
      3.400     1.500     1.500 peak  3058 spectrum    1 weight  0.10000E+01 volume  0.54470E-03 ppm1      3.304 ppm2      4.897 CV     1
 ASSI { 3059}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.300     0.700     0.700 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.53707E-02 ppm1      4.904 ppm2      3.096 CV     1
 ASSI { 3061}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.300     0.700     0.700 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.53445E-02 ppm1      4.903 ppm2      2.938 CV     1
 ASSI { 3065}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 87   and name HE% )
      2.500     0.800     0.800 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.37134E-02 ppm1      0.372 ppm2      6.554 CV     1
 ASSI { 3066}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 87   and name HE% )
      2.800     1.000     1.000 peak  3066 spectrum    1 weight  0.10000E+01 volume  0.18294E-02 ppm1      0.821 ppm2      6.512 CV     1
 ASSI { 3067}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 87   and name HE% )
      3.200     1.300     1.300 peak  3067 spectrum    1 weight  0.10000E+01 volume  0.78108E-03 ppm1      3.295 ppm2      6.542 CV     1
 ASSI { 3069}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  3069 spectrum    1 weight  0.10000E+01 volume  0.47560E-02 ppm1      0.461 ppm2      7.954 CV     1
 ASSI { 3070}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.200     0.600     0.600 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.77463E-02 ppm1      4.504 ppm2      7.951 CV     1
 ASSI { 3073}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.800     1.000     1.000 peak  3073 spectrum    1 weight  0.10000E+01 volume  0.18899E-02 ppm1      4.906 ppm2      7.950 CV     1
 ASSI { 3074}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      3.400     1.500     1.500 peak  3074 spectrum    1 weight  0.10000E+01 volume  0.54042E-03 ppm1      3.122 ppm2      7.965 CV     1
 ASSI { 3075}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 87   and name HZ  ))
      3.800     1.800     1.800 peak  3075 spectrum    1 weight  0.10000E+01 volume  0.30735E-03 ppm1      4.184 ppm2      6.396 CV     1
 ASSI { 3076}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 87   and name HZ  ))
      3.800     1.800     1.800 peak  3076 spectrum    1 weight  0.10000E+01 volume  0.31364E-03 ppm1      3.186 ppm2      6.391 CV     1
 ASSI { 3077}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 87   and name HZ  ))
      2.700     0.900     0.900 peak  3077 spectrum    1 weight  0.10000E+01 volume  0.24631E-02 ppm1      1.242 ppm2      6.433 CV     1
 ASSI { 3078}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      3.200     1.300     1.300 peak  3078 spectrum    1 weight  0.10000E+01 volume  0.83429E-03 ppm1      0.687 ppm2      5.695 CV     1
 ASSI { 3083}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HA  ))
      3.700     1.700     1.700 peak  3083 spectrum    1 weight  0.10000E+01 volume  0.34498E-03 ppm1      4.906 ppm2      5.686 CV     1
 ASSI { 3086}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.800     0.800 peak  3086 spectrum    1 weight  0.10000E+01 volume  0.31361E-02 ppm1      2.148 ppm2      5.684 CV     1
 ASSI { 3087}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.400     1.400 peak  3087 spectrum    1 weight  0.10000E+01 volume  0.66836E-03 ppm1      0.690 ppm2      5.688 CV     1
 ASSI { 3088}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 88   and name HA  ))
      4.100     2.100     1.900 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.18215E-03 ppm1      1.133 ppm2      5.678 CV     1
 ASSI { 3089}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak  3089 spectrum    1 weight  0.10000E+01 volume  0.23342E-02 ppm1      0.430 ppm2      3.140 CV     1
 ASSI { 3090}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.21743E-02 ppm1      5.696 ppm2      3.136 CV     1
 ASSI { 3092}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.000     0.500     0.500 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.13661E-01 ppm1      2.148 ppm2      3.134 CV     1
 ASSI { 3093}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.600     0.800     0.800 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.28826E-02 ppm1      1.124 ppm2      3.143 CV     1
 ASSI { 3094}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 88   and name HB2 ))
      3.000     1.200     1.200 peak  3094 spectrum    1 weight  0.10000E+01 volume  0.11339E-02 ppm1      0.668 ppm2      3.157 CV     1
 ASSI { 3095}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 88   and name HB3 ))
      2.400     0.700     0.700 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.44060E-02 ppm1      0.432 ppm2      2.122 CV     1
 ASSI { 3100}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 88   and name HB3 ))
      3.100     1.200     1.200 peak  3100 spectrum    1 weight  0.10000E+01 volume  0.93034E-03 ppm1      0.670 ppm2      2.137 CV     1
 ASSI { 3101}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.500     0.800     0.800 peak  3101 spectrum    1 weight  0.10000E+01 volume  0.33361E-02 ppm1      4.453 ppm2      2.140 CV     1
 ASSI { 3102}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 88   and name HN  ))
      3.200     1.200     1.200 peak  3102 spectrum    1 weight  0.10000E+01 volume  0.91651E-03 ppm1      0.429 ppm2      8.903 CV     1
 ASSI { 3103}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.300     0.700     0.700 peak  3103 spectrum    1 weight  0.10000E+01 volume  0.63533E-02 ppm1      4.904 ppm2      8.915 CV     1
 ASSI { 3105}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.100     1.100 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.14476E-02 ppm1      5.697 ppm2      8.919 CV     1
 ASSI { 3106}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak  3106 spectrum    1 weight  0.10000E+01 volume  0.24469E-02 ppm1      3.151 ppm2      8.927 CV     1
 ASSI { 3107}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak  3107 spectrum    1 weight  0.10000E+01 volume  0.21043E-02 ppm1      2.149 ppm2      8.925 CV     1
 ASSI { 3108}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      3.700     1.700     1.700 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.36429E-03 ppm1      1.125 ppm2      8.917 CV     1
 ASSI { 3109}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak  3109 spectrum    1 weight  0.10000E+01 volume  0.11106E-02 ppm1      0.858 ppm2      8.925 CV     1
 ASSI { 3110}
   (( segid "    " and resid 101  and name HA2 ))
   (( segid "    " and resid 88   and name HN  ))
      3.900     1.900     1.900 peak  3110 spectrum    1 weight  0.10000E+01 volume  0.23640E-03 ppm1      4.314 ppm2      8.943 CV     1
 ASSI { 3111}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak  3111 spectrum    1 weight  0.10000E+01 volume  0.94820E-03 ppm1      4.193 ppm2      8.917 CV     1
 ASSI { 3113}
   (( segid "    " and resid 89   and name HB  ))
   (( segid "    " and resid 89   and name HA  ))
      2.400     0.700     0.700 peak  3113 spectrum    1 weight  0.10000E+01 volume  0.44337E-02 ppm1      2.030 ppm2      4.967 CV     1
 ASSI { 3114}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 89   and name HA  ))
      2.900     1.000     1.000 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.16359E-02 ppm1      0.694 ppm2      4.976 CV     1
 ASSI { 3116}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 89   and name HA  ))
      3.300     1.400     1.400 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.65065E-03 ppm1      1.131 ppm2      4.953 CV     1
 ASSI { 3119}
   (  segid "    " and resid 89   and name HG1%)
   (( segid "    " and resid 89   and name HB  ))
      2.100     0.600     0.600 peak  3119 spectrum    1 weight  0.10000E+01 volume  0.91220E-02 ppm1      1.033 ppm2      2.023 CV     1
 ASSI { 3120}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HB  ))
      4.000     2.000     2.000 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.20656E-03 ppm1      4.911 ppm2      2.010 CV     1
 ASSI { 3121}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 89   and name HB  ))
      3.800     1.800     1.800 peak  3121 spectrum    1 weight  0.10000E+01 volume  0.29945E-03 ppm1      3.803 ppm2      2.010 CV     1
 ASSI { 3122}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 89   and name HB  ))
      3.300     1.300     1.300 peak  3122 spectrum    1 weight  0.10000E+01 volume  0.74865E-03 ppm1      4.563 ppm2      2.029 CV     1
 ASSI { 3123}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 89   and name HB  ))
      2.800     1.000     1.000 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.17632E-02 ppm1      1.185 ppm2      2.015 CV     1
 ASSI { 3124}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 89   and name HB  ))
      3.200     1.300     1.300 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.89643E-03 ppm1      0.600 ppm2      2.015 CV     1
 ASSI { 3125}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 89   and name HG1%)
      2.900     1.100     1.100 peak  3125 spectrum    1 weight  0.10000E+01 volume  0.14075E-02 ppm1      0.462 ppm2      0.983 CV     1
 ASSI { 3126}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 89   and name HG1%)
      3.400     1.400     1.400 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.59876E-03 ppm1      5.699 ppm2      1.049 CV     1
 ASSI { 3127}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 89   and name HG1%)
      2.400     0.700     0.700 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.49754E-02 ppm1      4.985 ppm2      1.033 CV     1
 ASSI { 3130}
   (  segid "    " and resid 89   and name HG2%)
   (  segid "    " and resid 89   and name HG1%)
      1.900     0.400     0.400 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.20683E-01 ppm1      0.686 ppm2      1.014 CV     1
 ASSI { 3133}
   (( segid "    " and resid 89   and name HB  ))
   (  segid "    " and resid 89   and name HG2%)
      2.200     0.600     0.600 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.70894E-02 ppm1      2.027 ppm2      0.671 CV     1
 ASSI { 3138}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      3.600     1.600     1.600 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.39993E-03 ppm1      3.152 ppm2      8.736 CV     1
 ASSI { 3139}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      3.400     1.400     1.400 peak  3139 spectrum    1 weight  0.10000E+01 volume  0.60414E-03 ppm1      2.153 ppm2      8.739 CV     1
 ASSI { 3140}
   (  segid "    " and resid 89   and name HG1%)
   (( segid "    " and resid 89   and name HN  ))
      3.000     1.100     1.100 peak  3140 spectrum    1 weight  0.10000E+01 volume  0.12824E-02 ppm1      1.027 ppm2      8.786 CV     1
 ASSI { 3141}
   (  segid "    " and resid 89   and name HG2%)
   (( segid "    " and resid 89   and name HN  ))
      2.300     0.600     0.600 peak  3141 spectrum    1 weight  0.10000E+01 volume  0.64700E-02 ppm1      0.687 ppm2      8.765 CV     1
 ASSI { 3144}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.80686E-03 ppm1      0.736 ppm2      4.928 CV     1
 ASSI { 3146}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 90   and name HA  ))
      3.000     1.100     1.100 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.11648E-02 ppm1      3.800 ppm2      4.890 CV     1
 ASSI { 3147}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      2.100     0.500     0.500 peak  3147 spectrum    1 weight  0.10000E+01 volume  0.11189E-01 ppm1      1.048 ppm2      4.904 CV     1
 ASSI { 3148}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 90   and name HA  ))
      2.500     0.800     0.800 peak  3148 spectrum    1 weight  0.10000E+01 volume  0.37126E-02 ppm1      0.682 ppm2      4.927 CV     1
 ASSI { 3149}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 90   and name HB  ))
      3.900     1.900     1.900 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.25994E-03 ppm1      5.724 ppm2      3.792 CV     1
 ASSI { 3152}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 90   and name HB  ))
      2.200     0.600     0.600 peak  3152 spectrum    1 weight  0.10000E+01 volume  0.89669E-02 ppm1      1.052 ppm2      3.783 CV     1
 ASSI { 3162}
   (( segid "    " and resid 98   and name HB3 ))
   (  segid "    " and resid 90   and name HG2%)
      3.200     1.300     1.300 peak  3162 spectrum    1 weight  0.10000E+01 volume  0.81280E-03 ppm1      2.899 ppm2      1.028 CV     1
 ASSI { 3163}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.200     0.600     0.600 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.71546E-02 ppm1      4.987 ppm2      8.588 CV     1
 ASSI { 3165}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.17844E-02 ppm1      4.917 ppm2      8.597 CV     1
 ASSI { 3168}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  3168 spectrum    1 weight  0.10000E+01 volume  0.29376E-02 ppm1      0.682 ppm2      8.610 CV     1
 ASSI { 3170}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 91   and name HA  ))
      3.400     1.400     1.400 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.62773E-03 ppm1      0.741 ppm2      5.085 CV     1
 ASSI { 3173}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HA  ))
      2.600     0.900     0.900 peak  3173 spectrum    1 weight  0.10000E+01 volume  0.27283E-02 ppm1      2.538 ppm2      5.089 CV     1
 ASSI { 3174}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.800     1.800     1.800 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.31359E-03 ppm1      1.917 ppm2      5.128 CV     1
 ASSI { 3175}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 91   and name HA  ))
      2.400     0.700     0.700 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.50731E-02 ppm1      4.561 ppm2      5.105 CV     1
 ASSI { 3176}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 91   and name HA  ))
      3.800     1.800     1.800 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.30942E-03 ppm1      1.189 ppm2      5.076 CV     1
 ASSI { 3177}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.700     0.900     0.900 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.21646E-02 ppm1      1.732 ppm2      2.738 CV     1
 ASSI { 3178}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 91   and name HB2 ))
      2.200     0.600     0.600 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.78939E-02 ppm1      0.733 ppm2      2.724 CV     1
 ASSI { 3179}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      3.100     3.100     2.900 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.10823E-02 ppm1      4.915 ppm2      2.718 CV     1
 ASSI { 3180}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      2.600     0.900     0.900 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.28028E-02 ppm1      5.117 ppm2      2.717 CV     1
 ASSI { 3182}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HB2 ))
      2.000     0.500     0.500 peak  3182 spectrum    1 weight  0.10000E+01 volume  0.12693E-01 ppm1      2.542 ppm2      2.716 CV     1
 ASSI { 3184}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 91   and name HB3 ))
      2.300     0.700     0.700 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.54531E-02 ppm1      0.733 ppm2      2.512 CV     1
 ASSI { 3187}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      3.100     1.200     1.200 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.10628E-02 ppm1      0.733 ppm2      9.194 CV     1
 ASSI { 3188}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.900     1.000     1.000 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.15654E-02 ppm1      5.726 ppm2      9.191 CV     1
 ASSI { 3190}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 91   and name HN  ))
      3.800     1.800     1.800 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.31729E-03 ppm1      3.786 ppm2      9.192 CV     1
 ASSI { 3191}
   (  segid "    " and resid 90   and name HG2%)
   (( segid "    " and resid 91   and name HN  ))
      2.500     0.800     0.800 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.39807E-02 ppm1      1.050 ppm2      9.186 CV     1
 ASSI { 3192}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      5.118 ppm2      9.186 CV     1
 ASSI { 3194}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.18240E-02 ppm1      2.542 ppm2      9.190 CV     1
 ASSI { 3196}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HA  ))
      3.500     1.600     1.600 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.46631E-03 ppm1      5.121 ppm2      4.104 CV     1
 ASSI { 3199}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HA  ))
      2.600     0.800     0.800 peak  3199 spectrum    1 weight  0.10000E+01 volume  0.29272E-02 ppm1      2.215 ppm2      4.119 CV     1
 ASSI { 3201}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HB2 ))
      2.200     0.600     0.600 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.78315E-02 ppm1      2.215 ppm2      1.922 CV     1
 ASSI { 3202}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 92   and name HB2 ))
      2.400     0.700     0.700 peak  3202 spectrum    1 weight  0.10000E+01 volume  0.49035E-02 ppm1      0.689 ppm2      1.922 CV     1
 ASSI { 3203}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      2.300     0.600     0.600 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.64964E-02 ppm1      4.141 ppm2      1.885 CV     1
 ASSI { 3205}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 92   and name HB3 ))
      2.300     0.700     0.700 peak  3205 spectrum    1 weight  0.10000E+01 volume  0.54333E-02 ppm1      0.987 ppm2      1.908 CV     1
 ASSI { 3206}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      3.200     1.300     1.300 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.78425E-03 ppm1      4.281 ppm2      2.273 CV     1
 ASSI { 3210}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.000     0.500     0.500 peak  3210 spectrum    1 weight  0.10000E+01 volume  0.12287E-01 ppm1      5.117 ppm2      8.722 CV     1
 ASSI { 3212}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     1.000     1.000 peak  3212 spectrum    1 weight  0.10000E+01 volume  0.16846E-02 ppm1      1.897 ppm2      8.728 CV     1
 ASSI { 3213}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.33747E-03 ppm1      2.317 ppm2      8.725 CV     1
 ASSI { 3214}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  3214 spectrum    1 weight  0.10000E+01 volume  0.33367E-03 ppm1      2.220 ppm2      8.732 CV     1
 ASSI { 3215}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      3.100     1.200     1.200 peak  3215 spectrum    1 weight  0.10000E+01 volume  0.10137E-02 ppm1      4.562 ppm2      8.713 CV     1
 ASSI { 3216}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.900     0.900 peak  3216 spectrum    1 weight  0.10000E+01 volume  0.26034E-02 ppm1      0.992 ppm2      8.705 CV     1
 ASSI { 3221}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.300     0.600     0.600 peak  3221 spectrum    1 weight  0.10000E+01 volume  0.64158E-02 ppm1      3.057 ppm2      4.286 CV     1
 ASSI { 3222}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  3222 spectrum    1 weight  0.10000E+01 volume  0.33983E-02 ppm1      2.699 ppm2      4.291 CV     1
 ASSI { 3225}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HB2 ))
      2.000     0.500     0.500 peak  3225 spectrum    1 weight  0.10000E+01 volume  0.16232E-01 ppm1      2.686 ppm2      3.025 CV     1
 ASSI { 3230}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 93   and name HD21))
      3.700     1.700     1.700 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.35787E-03 ppm1      2.311 ppm2      7.619 CV     1
 ASSI { 3232}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HD21))
      3.600     1.600     1.600 peak  3232 spectrum    1 weight  0.10000E+01 volume  0.40769E-03 ppm1      4.305 ppm2      7.592 CV     1
 ASSI { 3233}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HD21))
      3.000     1.200     1.200 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      3.063 ppm2      7.598 CV     1
 ASSI { 3234}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HD21))
      2.500     0.800     0.800 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.39674E-02 ppm1      2.710 ppm2      7.618 CV     1
 ASSI { 3235}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 93   and name HD22))
      3.400     1.500     1.500 peak  3235 spectrum    1 weight  0.10000E+01 volume  0.53603E-03 ppm1      0.926 ppm2      6.887 CV     1
 ASSI { 3236}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 93   and name HD22))
      3.900     1.900     1.900 peak  3236 spectrum    1 weight  0.10000E+01 volume  0.25644E-03 ppm1      2.305 ppm2      6.840 CV     1
 ASSI { 3237}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 93   and name HD22))
      3.700     1.700     1.700 peak  3237 spectrum    1 weight  0.10000E+01 volume  0.35685E-03 ppm1      2.216 ppm2      6.851 CV     1
 ASSI { 3238}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HD22))
      2.900     1.100     1.100 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      2.705 ppm2      6.857 CV     1
 ASSI { 3239}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.300     0.700     0.700 peak  3239 spectrum    1 weight  0.10000E+01 volume  0.58294E-02 ppm1      3.785 ppm2     10.285 CV     1
 ASSI { 3240}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak  3240 spectrum    1 weight  0.10000E+01 volume  0.75214E-03 ppm1      0.716 ppm2     10.284 CV     1
 ASSI { 3241}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  3241 spectrum    1 weight  0.10000E+01 volume  0.24620E-02 ppm1      0.930 ppm2     10.281 CV     1
 ASSI { 3242}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.400     1.400 peak  3242 spectrum    1 weight  0.10000E+01 volume  0.68671E-03 ppm1      4.287 ppm2     10.291 CV     1
 ASSI { 3243}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      3.700     1.700     1.700 peak  3243 spectrum    1 weight  0.10000E+01 volume  0.37350E-03 ppm1      4.956 ppm2     10.282 CV     1
 ASSI { 3244}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.100     0.500     0.500 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.10921E-01 ppm1      4.141 ppm2     10.286 CV     1
 ASSI { 3245}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.74862E-03 ppm1      1.918 ppm2     10.280 CV     1
 ASSI { 3246}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.300     1.300 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.75262E-03 ppm1      1.903 ppm2     10.282 CV     1
 ASSI { 3247}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.13662E-02 ppm1      2.310 ppm2     10.273 CV     1
 ASSI { 3248}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.14140E-02 ppm1      2.216 ppm2     10.285 CV     1
 ASSI { 3249}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.100     0.600     0.600 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.95018E-02 ppm1      4.305 ppm2     10.287 CV     1
 ASSI { 3250}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      3.000     1.100     1.100 peak  3250 spectrum    1 weight  0.10000E+01 volume  0.11527E-02 ppm1      3.057 ppm2     10.282 CV     1
 ASSI { 3251}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  3251 spectrum    1 weight  0.10000E+01 volume  0.14844E-02 ppm1      2.701 ppm2     10.280 CV     1
 ASSI { 3253}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 94   and name HA  ))
      3.000     1.100     1.100 peak  3253 spectrum    1 weight  0.10000E+01 volume  0.13113E-02 ppm1      1.820 ppm2      3.998 CV     1
 ASSI { 3254}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak  3254 spectrum    1 weight  0.10000E+01 volume  0.28868E-02 ppm1      1.751 ppm2      4.035 CV     1
 ASSI { 3256}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HA  ))
      2.700     0.900     0.900 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.22581E-02 ppm1      2.010 ppm2      3.992 CV     1
 ASSI { 3257}
   (( segid "    " and resid 94   and name HG3 ))
   (( segid "    " and resid 94   and name HA  ))
      2.500     0.800     0.800 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.34313E-02 ppm1      1.621 ppm2      3.992 CV     1
 ASSI { 3258}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.700     0.900     0.900 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.23928E-02 ppm1      4.007 ppm2      2.213 CV     1
 ASSI { 3260}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HB2 ))
      2.300     0.600     0.600 peak  3260 spectrum    1 weight  0.10000E+01 volume  0.64717E-02 ppm1      2.011 ppm2      2.173 CV     1
 ASSI { 3261}
   (( segid "    " and resid 94   and name HG3 ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     0.900     0.900 peak  3261 spectrum    1 weight  0.10000E+01 volume  0.26527E-02 ppm1      1.622 ppm2      2.163 CV     1
 ASSI { 3263}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 94   and name HB3 ))
      2.700     0.900     0.900 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.25728E-02 ppm1      3.840 ppm2      1.983 CV     1
 ASSI { 3264}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB3 ))
      2.300     0.700     0.700 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.62709E-02 ppm1      4.004 ppm2      1.997 CV     1
 ASSI { 3268}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HE21))
      2.700     0.900     0.900 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.24955E-02 ppm1      2.009 ppm2      7.693 CV     1
 ASSI { 3269}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 94   and name HE22))
      3.100     1.200     1.200 peak  3269 spectrum    1 weight  0.10000E+01 volume  0.10191E-02 ppm1      0.722 ppm2      6.951 CV     1
 ASSI { 3272}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HE22))
      2.900     2.900     3.100 peak  3272 spectrum    1 weight  0.10000E+01 volume  0.15186E-02 ppm1      2.012 ppm2      6.945 CV     1
 ASSI { 3273}
   (( segid "    " and resid 94   and name HG3 ))
   (( segid "    " and resid 94   and name HE22))
      3.500     1.500     1.500 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.52155E-03 ppm1      1.621 ppm2      6.947 CV     1
 ASSI { 3274}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 94   and name HG2 ))
      3.800     1.800     1.800 peak  3274 spectrum    1 weight  0.10000E+01 volume  0.30069E-03 ppm1      3.469 ppm2      1.981 CV     1
 ASSI { 3276}
   (( segid "    " and resid 94   and name HG3 ))
   (( segid "    " and resid 94   and name HG2 ))
      2.000     0.500     0.500 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.14412E-01 ppm1      1.621 ppm2      1.987 CV     1
 ASSI { 3277}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 94   and name HG3 ))
      3.500     1.500     1.500 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.51797E-03 ppm1      4.087 ppm2      1.644 CV     1
 ASSI { 3278}
   (( segid "    " and resid 51   and name HA1 ))
   (( segid "    " and resid 94   and name HG3 ))
      3.300     1.400     1.400 peak  3278 spectrum    1 weight  0.10000E+01 volume  0.68067E-03 ppm1      3.472 ppm2      1.634 CV     1
 ASSI { 3279}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 94   and name HG3 ))
      3.300     1.300     1.300 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.72455E-03 ppm1      3.783 ppm2      1.611 CV     1
 ASSI { 3280}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 94   and name HG3 ))
      2.400     0.700     0.700 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.43011E-02 ppm1      0.725 ppm2      1.625 CV     1
 ASSI { 3285}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak  3285 spectrum    1 weight  0.10000E+01 volume  0.62461E-03 ppm1      2.954 ppm2      8.783 CV     1
 ASSI { 3286}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     0.800     0.800 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.29559E-02 ppm1      3.785 ppm2      8.813 CV     1
 ASSI { 3287}
   (  segid "    " and resid 53   and name HD1%)
   (( segid "    " and resid 94   and name HN  ))
      3.100     1.200     1.200 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.10124E-02 ppm1      0.723 ppm2      8.813 CV     1
 ASSI { 3288}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.500     1.500 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.56696E-03 ppm1      0.930 ppm2      8.808 CV     1
 ASSI { 3289}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.500     0.800     0.800 peak  3289 spectrum    1 weight  0.10000E+01 volume  0.37438E-02 ppm1      4.303 ppm2      8.819 CV     1
 ASSI { 3290}
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      3.500     1.500     1.500 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.49515E-03 ppm1      3.058 ppm2      8.822 CV     1
 ASSI { 3291}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      3.400     1.400     1.400 peak  3291 spectrum    1 weight  0.10000E+01 volume  0.59157E-03 ppm1      2.185 ppm2      8.839 CV     1
 ASSI { 3292}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.80485E-03 ppm1      2.017 ppm2      8.825 CV     1
 ASSI { 3293}
   (( segid "    " and resid 94   and name HG2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.900     1.000     1.000 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.16584E-02 ppm1      2.012 ppm2      8.806 CV     1
 ASSI { 3294}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.21272E-03 ppm1      4.377 ppm2      8.783 CV     1
 ASSI { 3295}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 95   and name HA  ))
      2.900     1.000     1.000 peak  3295 spectrum    1 weight  0.10000E+01 volume  0.16210E-02 ppm1      2.866 ppm2      4.365 CV     1
 ASSI { 3296}
   (( segid "    " and resid 46   and name HE2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.76171E-03 ppm1      2.386 ppm2      4.372 CV     1
 ASSI { 3297}
   (( segid "    " and resid 46   and name HE3 ))
   (( segid "    " and resid 95   and name HA  ))
      3.400     1.500     1.500 peak  3297 spectrum    1 weight  0.10000E+01 volume  0.55279E-03 ppm1      2.213 ppm2      4.376 CV     1
 ASSI { 3299}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.10061E-02 ppm1      2.956 ppm2      4.376 CV     1
 ASSI { 3302}
   (  segid "    " and resid 95   and name HB% )
   (( segid "    " and resid 95   and name HA  ))
      2.100     0.500     0.500 peak  3302 spectrum    1 weight  0.10000E+01 volume  0.11570E-01 ppm1      0.871 ppm2      4.370 CV     1
 ASSI { 3307}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 95   and name HB% )
      2.700     0.900     0.900 peak  3307 spectrum    1 weight  0.10000E+01 volume  0.22301E-02 ppm1      3.183 ppm2      0.859 CV     1
 ASSI { 3308}
   (( segid "    " and resid 4    and name HD1 ))
   (  segid "    " and resid 95   and name HB% )
      4.200     2.200     1.800 peak  3308 spectrum    1 weight  0.10000E+01 volume  0.16059E-03 ppm1      7.254 ppm2      0.838 CV     1
 ASSI { 3309}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 95   and name HB% )
      3.300     1.400     1.400 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.68684E-03 ppm1      2.867 ppm2      0.855 CV     1
 ASSI { 3311}
   (( segid "    " and resid 46   and name HE3 ))
   (  segid "    " and resid 95   and name HB% )
      2.600     0.900     0.900 peak  3311 spectrum    1 weight  0.10000E+01 volume  0.27681E-02 ppm1      2.217 ppm2      0.869 CV     1
 ASSI { 3315}
   (( segid "    " and resid 96   and name HD3 ))
   (  segid "    " and resid 95   and name HB% )
      2.800     0.900     0.900 peak  3315 spectrum    1 weight  0.10000E+01 volume  0.20736E-02 ppm1      2.928 ppm2      0.865 CV     1
 ASSI { 3317}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     1.200     1.200 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.91696E-03 ppm1      5.117 ppm2      7.559 CV     1
 ASSI { 3318}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      3.400     1.400     1.400 peak  3318 spectrum    1 weight  0.10000E+01 volume  0.60865E-03 ppm1      4.149 ppm2      7.521 CV     1
 ASSI { 3319}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak  3319 spectrum    1 weight  0.10000E+01 volume  0.21799E-02 ppm1      4.377 ppm2      7.552 CV     1
 ASSI { 3324}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HA  ))
      2.400     0.700     0.700 peak  3324 spectrum    1 weight  0.10000E+01 volume  0.43174E-02 ppm1      1.184 ppm2      4.553 CV     1
 ASSI { 3326}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HA  ))
      3.500     1.500     1.500 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.52764E-03 ppm1      3.163 ppm2      4.572 CV     1
 ASSI { 3327}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HA  ))
      3.300     1.400     1.400 peak  3327 spectrum    1 weight  0.10000E+01 volume  0.71201E-03 ppm1      2.932 ppm2      4.590 CV     1
 ASSI { 3328}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 96   and name HB2 ))
      3.800     3.800     2.200 peak  3328 spectrum    1 weight  0.10000E+01 volume  0.31875E-03 ppm1      2.964 ppm2      1.201 CV     1
 ASSI { 3331}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HB2 ))
      2.000     0.500     0.500 peak  3331 spectrum    1 weight  0.10000E+01 volume  0.13961E-01 ppm1      0.605 ppm2      1.172 CV     1
 ASSI { 3332}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      3.700     1.700     1.700 peak  3332 spectrum    1 weight  0.10000E+01 volume  0.36909E-03 ppm1      2.869 ppm2      0.631 CV     1
 ASSI { 3333}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      3.500     1.600     1.600 peak  3333 spectrum    1 weight  0.10000E+01 volume  0.45994E-03 ppm1      4.378 ppm2      0.591 CV     1
 ASSI { 3334}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB3 ))
      2.500     0.800     0.800 peak  3334 spectrum    1 weight  0.10000E+01 volume  0.33798E-02 ppm1      4.563 ppm2      0.638 CV     1
 ASSI { 3337}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HB3 ))
      3.300     1.400     1.400 peak  3337 spectrum    1 weight  0.10000E+01 volume  0.71050E-03 ppm1      3.167 ppm2      0.619 CV     1
 ASSI { 3339}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HB3 ))
      2.500     0.800     0.800 peak  3339 spectrum    1 weight  0.10000E+01 volume  0.37428E-02 ppm1      1.631 ppm2      0.624 CV     1
 ASSI { 3340}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 96   and name HD2 ))
      2.700     2.700     3.300 peak  3340 spectrum    1 weight  0.10000E+01 volume  0.24526E-02 ppm1      1.242 ppm2      3.166 CV     1
 ASSI { 3341}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 96   and name HD2 ))
      2.500     0.800     0.800 peak  3341 spectrum    1 weight  0.10000E+01 volume  0.39005E-02 ppm1      2.865 ppm2      3.142 CV     1
 ASSI { 3343}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HD2 ))
      2.200     0.600     0.600 peak  3343 spectrum    1 weight  0.10000E+01 volume  0.81033E-02 ppm1      4.377 ppm2      3.142 CV     1
 ASSI { 3346}
   (( segid "    " and resid 96   and name HG2 ))
   (( segid "    " and resid 96   and name HD2 ))
      2.600     0.800     0.800 peak  3346 spectrum    1 weight  0.10000E+01 volume  0.30048E-02 ppm1      1.628 ppm2      3.140 CV     1
 ASSI { 3348}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HD3 ))
      2.200     0.600     0.600 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.73807E-02 ppm1      4.377 ppm2      2.916 CV     1
 ASSI { 3349}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HD3 ))
      3.000     1.100     1.100 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      1.182 ppm2      2.887 CV     1
 ASSI { 3350}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HD3 ))
      3.000     1.100     1.100 peak  3350 spectrum    1 weight  0.10000E+01 volume  0.12540E-02 ppm1      0.603 ppm2      2.903 CV     1
 ASSI { 3351}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HD3 ))
      2.100     0.500     0.500 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.10876E-01 ppm1      3.166 ppm2      2.905 CV     1
 ASSI { 3353}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 96   and name HG2 ))
      3.100     1.200     1.200 peak  3353 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      2.954 ppm2      1.635 CV     1
 ASSI { 3355}
   (  segid "    " and resid 45   and name HG1%)
   (( segid "    " and resid 96   and name HG3 ))
      2.200     0.600     0.600 peak  3355 spectrum    1 weight  0.10000E+01 volume  0.87455E-02 ppm1      1.244 ppm2      1.614 CV     1
 ASSI { 3356}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HG3 ))
      2.400     0.700     0.700 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.41984E-02 ppm1      1.185 ppm2      1.575 CV     1
 ASSI { 3357}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 96   and name HG3 ))
      2.500     0.800     0.800 peak  3357 spectrum    1 weight  0.10000E+01 volume  0.35902E-02 ppm1      0.605 ppm2      1.600 CV     1
 ASSI { 3358}
   (( segid "    " and resid 96   and name HD2 ))
   (( segid "    " and resid 96   and name HG3 ))
      2.500     0.800     0.800 peak  3358 spectrum    1 weight  0.10000E+01 volume  0.36816E-02 ppm1      3.166 ppm2      1.598 CV     1
 ASSI { 3359}
   (( segid "    " and resid 96   and name HD3 ))
   (( segid "    " and resid 96   and name HG3 ))
      2.500     0.800     0.800 peak  3359 spectrum    1 weight  0.10000E+01 volume  0.35491E-02 ppm1      2.929 ppm2      1.601 CV     1
 ASSI { 3361}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 97   and name HA  ))
      3.000     1.200     1.200 peak  3361 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      5.476 ppm2      4.609 CV     1
 ASSI { 3362}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak  3362 spectrum    1 weight  0.10000E+01 volume  0.10780E-02 ppm1      3.681 ppm2      4.617 CV     1
 ASSI { 3363}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 97   and name HA  ))
      2.800     1.000     1.000 peak  3363 spectrum    1 weight  0.10000E+01 volume  0.17049E-02 ppm1      3.145 ppm2      4.611 CV     1
 ASSI { 3365}
   (( segid "    " and resid 97   and name HB  ))
   (( segid "    " and resid 97   and name HA  ))
      2.200     0.600     0.600 peak  3365 spectrum    1 weight  0.10000E+01 volume  0.74577E-02 ppm1      2.157 ppm2      4.627 CV     1
 ASSI { 3366}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 97   and name HA  ))
      2.100     0.600     0.600 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.94300E-02 ppm1      0.987 ppm2      4.607 CV     1
 ASSI { 3367}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 97   and name HA  ))
      2.400     0.700     0.700 peak  3367 spectrum    1 weight  0.10000E+01 volume  0.42495E-02 ppm1      0.686 ppm2      4.591 CV     1
 ASSI { 3368}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 97   and name HB  ))
      2.700     0.900     0.900 peak  3368 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      4.813 ppm2      2.150 CV     1
 ASSI { 3371}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 97   and name HB  ))
      2.100     0.600     0.600 peak  3371 spectrum    1 weight  0.10000E+01 volume  0.96158E-02 ppm1      0.986 ppm2      2.149 CV     1
 ASSI { 3372}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 97   and name HB  ))
      2.300     0.600     0.600 peak  3372 spectrum    1 weight  0.10000E+01 volume  0.65781E-02 ppm1      0.688 ppm2      2.157 CV     1
 ASSI { 3374}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 97   and name HG1%)
      3.900     1.900     1.900 peak  3374 spectrum    1 weight  0.10000E+01 volume  0.24279E-03 ppm1      3.679 ppm2      0.994 CV     1
 ASSI { 3375}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 97   and name HG1%)
      3.200     1.300     1.300 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.87149E-03 ppm1      5.118 ppm2      0.967 CV     1
 ASSI { 3377}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 97   and name HG1%)
      3.100     1.200     1.200 peak  3377 spectrum    1 weight  0.10000E+01 volume  0.10644E-02 ppm1      4.566 ppm2      0.972 CV     1
 ASSI { 3381}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 97   and name HG2%)
      3.300     1.300     1.300 peak  3381 spectrum    1 weight  0.10000E+01 volume  0.71984E-03 ppm1      4.813 ppm2      0.703 CV     1
 ASSI { 3382}
   (( segid "    " and resid 90   and name HB  ))
   (  segid "    " and resid 97   and name HG2%)
      2.600     0.800     0.800 peak  3382 spectrum    1 weight  0.10000E+01 volume  0.30859E-02 ppm1      3.795 ppm2      0.664 CV     1
 ASSI { 3383}
   (( segid "    " and resid 92   and name HB3 ))
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak  3383 spectrum    1 weight  0.10000E+01 volume  0.34972E-02 ppm1      1.896 ppm2      0.678 CV     1
 ASSI { 3387}
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 97   and name HG2%)
      3.000     1.200     1.200 peak  3387 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      3.352 ppm2      0.658 CV     1
 ASSI { 3389}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.700     0.900     0.900 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.22457E-02 ppm1      5.119 ppm2      8.478 CV     1
 ASSI { 3390}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      4.000     2.000     2.000 peak  3390 spectrum    1 weight  0.10000E+01 volume  0.23472E-03 ppm1      1.922 ppm2      8.436 CV     1
 ASSI { 3391}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.100     0.600     0.600 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.96248E-02 ppm1      4.562 ppm2      8.479 CV     1
 ASSI { 3392}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak  3392 spectrum    1 weight  0.10000E+01 volume  0.11126E-02 ppm1      1.185 ppm2      8.479 CV     1
 ASSI { 3393}
   (  segid "    " and resid 97   and name HG1%)
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.800     0.800 peak  3393 spectrum    1 weight  0.10000E+01 volume  0.31556E-02 ppm1      0.988 ppm2      8.481 CV     1
 ASSI { 3394}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 97   and name HN  ))
      2.200     0.600     0.600 peak  3394 spectrum    1 weight  0.10000E+01 volume  0.74868E-02 ppm1      0.683 ppm2      8.472 CV     1
 ASSI { 3395}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 98   and name HA  ))
      3.900     1.900     1.900 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.24785E-03 ppm1      3.795 ppm2      5.622 CV     1
 ASSI { 3398}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     0.900     0.900 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.21452E-02 ppm1      3.796 ppm2      3.335 CV     1
 ASSI { 3399}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.800     1.000     1.000 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      5.603 ppm2      3.330 CV     1
 ASSI { 3401}
   (( segid "    " and resid 98   and name HB3 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.200     0.600     0.600 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.69661E-02 ppm1      2.894 ppm2      3.344 CV     1
 ASSI { 3402}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 98   and name HB3 ))
      2.300     0.700     0.700 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.53339E-02 ppm1      3.797 ppm2      2.881 CV     1
 ASSI { 3403}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 98   and name HB3 ))
      2.900     1.000     1.000 peak  3403 spectrum    1 weight  0.10000E+01 volume  0.16472E-02 ppm1      0.694 ppm2      2.891 CV     1
 ASSI { 3404}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB3 ))
      3.000     1.100     1.100 peak  3404 spectrum    1 weight  0.10000E+01 volume  0.12131E-02 ppm1      5.601 ppm2      2.867 CV     1
 ASSI { 3410}
   (( segid "    " and resid 90   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     1.100     1.100 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.14554E-02 ppm1      3.795 ppm2      7.308 CV     1
 ASSI { 3411}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      3.600     1.600     1.600 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.39989E-03 ppm1      5.124 ppm2      7.319 CV     1
 ASSI { 3412}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.900     1.000     1.000 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.15250E-02 ppm1      4.559 ppm2      7.309 CV     1
 ASSI { 3413}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      3.900     1.900     1.900 peak  3413 spectrum    1 weight  0.10000E+01 volume  0.26123E-03 ppm1      4.614 ppm2      7.281 CV     1
 ASSI { 3415}
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      3.000     1.100     1.100 peak  3415 spectrum    1 weight  0.10000E+01 volume  0.12617E-02 ppm1      3.348 ppm2      7.295 CV     1
 ASSI { 3417}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
      2.600     0.900     0.900 peak  3417 spectrum    1 weight  0.10000E+01 volume  0.26036E-02 ppm1      4.981 ppm2      4.258 CV     1
 ASSI { 3418}
   (  segid "    " and resid 89   and name HG1%)
   (( segid "    " and resid 99   and name HA  ))
      2.600     0.800     0.800 peak  3418 spectrum    1 weight  0.10000E+01 volume  0.28639E-02 ppm1      1.034 ppm2      4.261 CV     1
 ASSI { 3422}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HB2 ))
      2.300     0.700     0.700 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.63008E-02 ppm1      1.572 ppm2      2.791 CV     1
 ASSI { 3423}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB3 ))
      2.700     0.900     0.900 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.22223E-02 ppm1      4.276 ppm2      1.550 CV     1
 ASSI { 3426}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD% )
      2.900     1.000     1.000 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.15568E-02 ppm1      4.286 ppm2      6.573 CV     1
 ASSI { 3428}
   (( segid "    " and resid 99   and name HB3 ))
   (  segid "    " and resid 99   and name HD% )
      3.000     1.100     1.100 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.13485E-02 ppm1      1.569 ppm2      6.534 CV     1
 ASSI { 3429}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 99   and name HE% )
      3.100     1.200     1.200 peak  3429 spectrum    1 weight  0.10000E+01 volume  0.93132E-03 ppm1      2.448 ppm2      6.650 CV     1
 ASSI { 3430}
   (  segid "    " and resid 89   and name HG1%)
   (  segid "    " and resid 99   and name HE% )
      2.300     0.700     0.700 peak  3430 spectrum    1 weight  0.10000E+01 volume  0.55406E-02 ppm1      1.032 ppm2      6.634 CV     1
 ASSI { 3431}
   (  segid "    " and resid 102  and name HG1%)
   (  segid "    " and resid 99   and name HE% )
      2.400     0.700     0.700 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.47877E-02 ppm1      1.195 ppm2      6.651 CV     1
 ASSI { 3432}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.000     1.100     1.100 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.12917E-02 ppm1      5.601 ppm2      9.856 CV     1
 ASSI { 3433}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.700     1.700     1.700 peak  3433 spectrum    1 weight  0.10000E+01 volume  0.33677E-03 ppm1      4.288 ppm2      9.854 CV     1
 ASSI { 3434}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      3.800     1.800     1.800 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.30317E-03 ppm1      2.791 ppm2      9.859 CV     1
 ASSI { 3435}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HN  ))
      3.500     1.600     1.600 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.45843E-03 ppm1      1.570 ppm2      9.860 CV     1
 ASSI { 3438}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 100  and name HA  ))
      2.300     0.700     0.700 peak  3438 spectrum    1 weight  0.10000E+01 volume  0.54571E-02 ppm1      0.853 ppm2      3.578 CV     1
 ASSI { 3439}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HA  ))
      2.200     0.600     0.600 peak  3439 spectrum    1 weight  0.10000E+01 volume  0.74015E-02 ppm1      0.679 ppm2      3.584 CV     1
 ASSI { 3440}
   (( segid "    " and resid 101  and name HA2 ))
   (( segid "    " and resid 100  and name HA  ))
      3.500     1.600     1.600 peak  3440 spectrum    1 weight  0.10000E+01 volume  0.46067E-03 ppm1      4.343 ppm2      3.573 CV     1
 ASSI { 3442}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 100  and name HB  ))
      2.900     1.000     1.000 peak  3442 spectrum    1 weight  0.10000E+01 volume  0.15890E-02 ppm1      2.149 ppm2      1.101 CV     1
 ASSI { 3443}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB  ))
      2.800     0.900     0.900 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      3.591 ppm2      1.098 CV     1
 ASSI { 3445}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 100  and name HG1%)
      2.800     1.000     1.000 peak  3445 spectrum    1 weight  0.10000E+01 volume  0.18435E-02 ppm1      3.157 ppm2      0.862 CV     1
 ASSI { 3446}
   (( segid "    " and resid 88   and name HB3 ))
   (  segid "    " and resid 100  and name HG1%)
      3.100     1.200     1.200 peak  3446 spectrum    1 weight  0.10000E+01 volume  0.10538E-02 ppm1      2.146 ppm2      0.841 CV     1
 ASSI { 3448}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 100  and name HG1%)
      2.300     0.600     0.600 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.64796E-02 ppm1      1.127 ppm2      0.844 CV     1
 ASSI { 3450}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 100  and name HG1%)
      2.400     0.700     0.700 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.42187E-02 ppm1      4.450 ppm2      0.832 CV     1
 ASSI { 3451}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 100  and name HG1%)
      3.100     1.200     1.200 peak  3451 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      3.203 ppm2      0.849 CV     1
 ASSI { 3455}
   (( segid "    " and resid 100  and name HB  ))
   (  segid "    " and resid 100  and name HG2%)
      2.400     0.700     0.700 peak  3455 spectrum    1 weight  0.10000E+01 volume  0.44842E-02 ppm1      1.127 ppm2      0.657 CV     1
 ASSI { 3457}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.25049E-03 ppm1      2.154 ppm2      8.053 CV     1
 ASSI { 3458}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.500     0.800     0.800 peak  3458 spectrum    1 weight  0.10000E+01 volume  0.37485E-02 ppm1      4.986 ppm2      8.017 CV     1
 ASSI { 3459}
   (  segid "    " and resid 89   and name HG1%)
   (( segid "    " and resid 100  and name HN  ))
      3.400     1.400     1.400 peak  3459 spectrum    1 weight  0.10000E+01 volume  0.60153E-03 ppm1      1.042 ppm2      8.042 CV     1
 ASSI { 3460}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak  3460 spectrum    1 weight  0.10000E+01 volume  0.50248E-02 ppm1      4.280 ppm2      8.038 CV     1
 ASSI { 3461}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.900     1.000     1.000 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.16491E-02 ppm1      3.598 ppm2      8.038 CV     1
 ASSI { 3462}
   (( segid "    " and resid 100  and name HB  ))
   (( segid "    " and resid 100  and name HN  ))
      2.600     0.800     0.800 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.31747E-02 ppm1      1.125 ppm2      8.037 CV     1
 ASSI { 3463}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  3463 spectrum    1 weight  0.10000E+01 volume  0.18336E-02 ppm1      0.853 ppm2      8.047 CV     1
 ASSI { 3464}
   (  segid "    " and resid 100  and name HG2%)
   (( segid "    " and resid 100  and name HN  ))
      2.300     0.700     0.700 peak  3464 spectrum    1 weight  0.10000E+01 volume  0.60143E-02 ppm1      0.682 ppm2      8.042 CV     1
 ASSI { 3466}
   (( segid "    " and resid 101  and name HA1 ))
   (( segid "    " and resid 101  and name HA2 ))
      1.900     0.500     0.500 peak  3466 spectrum    1 weight  0.10000E+01 volume  0.16869E-01 ppm1      4.050 ppm2      4.312 CV     1
 ASSI { 3469}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      3.700     1.700     1.700 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.33139E-03 ppm1      5.697 ppm2      6.618 CV     1
 ASSI { 3472}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      3.400     1.500     1.500 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.57359E-03 ppm1      4.987 ppm2      6.603 CV     1
 ASSI { 3475}
   (  segid "    " and resid 100  and name HG1%)
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  3475 spectrum    1 weight  0.10000E+01 volume  0.22684E-02 ppm1      0.851 ppm2      6.590 CV     1
 ASSI { 3477}
   (( segid "    " and resid 101  and name HA1 ))
   (( segid "    " and resid 101  and name HN  ))
      2.500     0.800     0.800 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.33355E-02 ppm1      4.054 ppm2      6.597 CV     1
 ASSI { 3478}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      3.400     1.400     1.400 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.58946E-03 ppm1      4.447 ppm2      6.607 CV     1
 ASSI { 3479}
   (  segid "    " and resid 66   and name HD1%)
   (( segid "    " and resid 102  and name HA  ))
      3.200     1.300     1.300 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.86814E-03 ppm1      0.925 ppm2      4.206 CV     1
 ASSI { 3480}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 102  and name HA  ))
      2.300     0.600     0.600 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.67740E-02 ppm1      4.904 ppm2      4.176 CV     1
 ASSI { 3481}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak  3481 spectrum    1 weight  0.10000E+01 volume  0.12582E-02 ppm1      3.110 ppm2      4.176 CV     1
 ASSI { 3483}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 102  and name HA  ))
      2.600     0.900     0.900 peak  3483 spectrum    1 weight  0.10000E+01 volume  0.25933E-02 ppm1      2.072 ppm2      4.173 CV     1
 ASSI { 3484}
   (  segid "    " and resid 102  and name HG1%)
   (( segid "    " and resid 102  and name HA  ))
      2.300     0.600     0.600 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.68084E-02 ppm1      1.190 ppm2      4.168 CV     1
 ASSI { 3485}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HA  ))
      2.400     0.700     0.700 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.46801E-02 ppm1      1.046 ppm2      4.192 CV     1
 ASSI { 3486}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 102  and name HB  ))
      3.400     1.400     1.400 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.59921E-03 ppm1      4.903 ppm2      2.083 CV     1
 ASSI { 3487}
   (( segid "    " and resid 101  and name HA2 ))
   (( segid "    " and resid 102  and name HB  ))
      3.700     3.700     2.300 peak  3487 spectrum    1 weight  0.10000E+01 volume  0.32957E-03 ppm1      4.340 ppm2      2.068 CV     1
 ASSI { 3488}
   (( segid "    " and resid 101  and name HA1 ))
   (( segid "    " and resid 102  and name HB  ))
      3.800     1.800     1.800 peak  3488 spectrum    1 weight  0.10000E+01 volume  0.31871E-03 ppm1      4.055 ppm2      2.050 CV     1
 ASSI { 3490}
   (  segid "    " and resid 102  and name HG1%)
   (( segid "    " and resid 102  and name HB  ))
      2.100     0.500     0.500 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.11786E-01 ppm1      1.196 ppm2      2.051 CV     1
 ASSI { 3491}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HB  ))
      2.000     0.500     0.500 peak  3491 spectrum    1 weight  0.10000E+01 volume  0.12409E-01 ppm1      1.045 ppm2      2.061 CV     1
 ASSI { 3492}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 102  and name HG1%)
      2.200     0.600     0.600 peak  3492 spectrum    1 weight  0.10000E+01 volume  0.83085E-02 ppm1      0.793 ppm2      1.176 CV     1
 ASSI { 3493}
   (  segid "    " and resid 66   and name HD1%)
   (  segid "    " and resid 102  and name HG1%)
      2.000     0.500     0.500 peak  3493 spectrum    1 weight  0.10000E+01 volume  0.14294E-01 ppm1      0.927 ppm2      1.200 CV     1
 ASSI { 3495}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 102  and name HG2%)
      3.000     3.000     3.000 peak  3495 spectrum    1 weight  0.10000E+01 volume  0.11530E-02 ppm1      4.908 ppm2      1.016 CV     1
 ASSI { 3498}
   (( segid "    " and resid 103  and name HA2 ))
   (  segid "    " and resid 102  and name HG2%)
      3.200     1.300     1.300 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.87551E-03 ppm1      4.353 ppm2      1.028 CV     1
 ASSI { 3500}
   (( segid "    " and resid 101  and name HA2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.200     0.600     0.600 peak  3500 spectrum    1 weight  0.10000E+01 volume  0.69262E-02 ppm1      4.337 ppm2      8.671 CV     1
 ASSI { 3501}
   (( segid "    " and resid 101  and name HA1 ))
   (( segid "    " and resid 102  and name HN  ))
      2.300     0.700     0.700 peak  3501 spectrum    1 weight  0.10000E+01 volume  0.55042E-02 ppm1      4.049 ppm2      8.666 CV     1
 ASSI { 3503}
   (  segid "    " and resid 102  and name HG1%)
   (( segid "    " and resid 102  and name HN  ))
      2.200     0.600     0.600 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.81068E-02 ppm1      1.195 ppm2      8.669 CV     1
 ASSI { 3504}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HN  ))
      2.200     0.600     0.600 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.72686E-02 ppm1      1.044 ppm2      8.671 CV     1
 ASSI { 3506}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 103  and name HA2 ))
      1.900     0.400     0.400 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.19596E-01 ppm1      3.302 ppm2      4.336 CV     1
 ASSI { 3509}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HA1 ))
      3.200     1.300     1.300 peak  3509 spectrum    1 weight  0.10000E+01 volume  0.81493E-03 ppm1      4.193 ppm2      3.304 CV     1
 ASSI { 3510}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 103  and name HA1 ))
      2.700     0.900     0.900 peak  3510 spectrum    1 weight  0.10000E+01 volume  0.25648E-02 ppm1      1.045 ppm2      3.322 CV     1
 ASSI { 3513}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      3.300     1.400     1.400 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.70567E-03 ppm1      3.045 ppm2      8.663 CV     1
 ASSI { 3514}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.300     0.700     0.700 peak  3514 spectrum    1 weight  0.10000E+01 volume  0.57975E-02 ppm1      4.903 ppm2      8.688 CV     1
 ASSI { 3515}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      3.300     1.400     1.400 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.69904E-03 ppm1      3.095 ppm2      8.679 CV     1
 ASSI { 3516}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.25828E-02 ppm1      2.965 ppm2      8.680 CV     1
 ASSI { 3517}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.100     0.500     0.500 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.10878E-01 ppm1      4.196 ppm2      8.672 CV     1
 ASSI { 3518}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 103  and name HN  ))
      2.300     0.700     0.700 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.60080E-02 ppm1      3.302 ppm2      8.674 CV     1
 ASSI { 3519}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      3.900     1.900     1.900 peak  3519 spectrum    1 weight  0.10000E+01 volume  0.24259E-03 ppm1      1.663 ppm2      4.342 CV     1
 ASSI { 3520}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
      3.700     1.700     1.700 peak  3520 spectrum    1 weight  0.10000E+01 volume  0.34291E-03 ppm1      1.409 ppm2      4.331 CV     1
 ASSI { 3522}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 104  and name HA  ))
      2.300     0.600     0.600 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.67023E-02 ppm1      0.431 ppm2      4.305 CV     1
 ASSI { 3524}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.300     0.700     0.700 peak  3524 spectrum    1 weight  0.10000E+01 volume  0.56525E-02 ppm1      3.820 ppm2      4.293 CV     1
 ASSI { 3525}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HA  ))
      2.500     0.800     0.800 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.40590E-02 ppm1      3.602 ppm2      4.291 CV     1
 ASSI { 3528}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HB2 ))
      1.800     0.400     0.400 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.28728E-01 ppm1      3.600 ppm2      3.805 CV     1
 ASSI { 3532}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3532 spectrum    1 weight  0.10000E+01 volume  0.16865E-02 ppm1      0.434 ppm2      7.243 CV     1
 ASSI { 3533}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.400     1.400 peak  3533 spectrum    1 weight  0.10000E+01 volume  0.68453E-03 ppm1      4.190 ppm2      7.261 CV     1
 ASSI { 3534}
   (( segid "    " and resid 103  and name HA2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.900     0.900 peak  3534 spectrum    1 weight  0.10000E+01 volume  0.27488E-02 ppm1      4.349 ppm2      7.235 CV     1
 ASSI { 3535}
   (( segid "    " and resid 103  and name HA1 ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3535 spectrum    1 weight  0.10000E+01 volume  0.17803E-02 ppm1      3.303 ppm2      7.231 CV     1
 ASSI { 3537}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.17744E-02 ppm1      3.821 ppm2      7.244 CV     1
 ASSI { 3538}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.900     0.900 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.27066E-02 ppm1      3.602 ppm2      7.255 CV     1
 ASSI { 3542}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HA  ))
      2.600     0.800     0.800 peak  3542 spectrum    1 weight  0.10000E+01 volume  0.31346E-02 ppm1      2.671 ppm2      4.431 CV     1
 ASSI { 3543}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.100     0.500     0.500 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.10923E-01 ppm1      4.447 ppm2      3.194 CV     1
 ASSI { 3545}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HB2 ))
      1.900     0.400     0.400 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.21874E-01 ppm1      2.670 ppm2      3.188 CV     1
 ASSI { 3546}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 105  and name HB3 ))
      3.100     3.100     2.900 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.10149E-02 ppm1      0.816 ppm2      2.662 CV     1
 ASSI { 3550}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 105  and name HN  ))
      3.100     1.200     1.200 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.10044E-02 ppm1      0.830 ppm2      8.379 CV     1
 ASSI { 3551}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 105  and name HN  ))
      2.700     0.900     0.900 peak  3551 spectrum    1 weight  0.10000E+01 volume  0.21123E-02 ppm1      0.434 ppm2      8.375 CV     1
 ASSI { 3552}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
      3.900     1.900     1.900 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.27039E-03 ppm1      2.159 ppm2      8.350 CV     1
 ASSI { 3553}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.000     0.500     0.500 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.12349E-01 ppm1      4.316 ppm2      8.380 CV     1
 ASSI { 3554}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.400     0.700     0.700 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.46961E-02 ppm1      3.825 ppm2      8.379 CV     1
 ASSI { 3555}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.600     0.900     0.900 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.26158E-02 ppm1      4.449 ppm2      8.376 CV     1
 ASSI { 3556}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.800     0.900     0.900 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.20566E-02 ppm1      3.206 ppm2      8.373 CV     1
 ASSI {   11}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 37   and name HE% )
      3.400     1.400     1.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.61687E-03 ppm1      7.287 ppm2      6.920 CV     1
 ASSI {   13}
   (( segid "    " and resid 37   and name HZ  ))
   (  segid "    " and resid 37   and name HE% )
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.43872E-02 ppm1      6.389 ppm2      6.892 CV     1
 ASSI {   82}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      3.500     3.500     2.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.50657E-03 ppm1      6.641 ppm2      8.443 CV     1
 ASSI {   91}
   (( segid "    " and resid 11   and name HE1 ))
   (( segid "    " and resid 11   and name HE2 ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.37920E-03 ppm1      8.269 ppm2      7.961 CV     1
 ASSI {  100}
   (  segid "    " and resid 39   and name HE% )
   (  segid "    " and resid 39   and name HD% )
      1.900     0.400     0.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.20092E-01 ppm1      6.640 ppm2      6.893 CV     1
 ASSI {    4}
   (( segid "    " and resid 11   and name HD2 ))
   (  segid "    " and resid 7    and name HD% )
      3.300     1.400     1.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.66658E-03 ppm1      6.441 ppm2      7.054 CV     1
 ASSI {   26}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HE1 ))
      2.300     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.59496E-02 ppm1      7.248 ppm2     10.259 CV     1
 ASSI {   27}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 4    and name HE1 ))
      3.900     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.26316E-03 ppm1      7.169 ppm2     10.258 CV     1
 ASSI {   28}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 4    and name HE1 ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.18955E-02 ppm1      7.332 ppm2     10.259 CV     1
 ASSI {   31}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HH2 ))
      3.900     1.900     1.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.24504E-03 ppm1      8.205 ppm2      7.159 CV     1
 ASSI {   34}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 4    and name HH2 ))
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.41713E-02 ppm1      7.331 ppm2      7.164 CV     1
 ASSI {   35}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.37701E-03 ppm1      7.248 ppm2      8.912 CV     1
 ASSI {   36}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HN  ))
      4.300     2.400     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.13512E-03 ppm1      8.200 ppm2      8.909 CV     1
 ASSI {   38}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 4    and name HE3 ))
      2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.17483E-02 ppm1      6.807 ppm2      8.197 CV     1
 ASSI {   41}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 4    and name HZ3 ))
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.21139E-02 ppm1      7.164 ppm2      6.807 CV     1
 ASSI {   43}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 4    and name HZ3 ))
      3.600     1.600     1.600 peak    43 spectrum    1 weight  0.10000E+01 volume  0.43482E-03 ppm1      7.331 ppm2      6.814 CV     1
 ASSI {   46}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 4    and name HZ3 ))
      2.700     0.900     0.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.20773E-02 ppm1      7.055 ppm2      6.814 CV     1
 ASSI {   47}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.600     1.600     1.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.41023E-03 ppm1      7.247 ppm2      8.056 CV     1
 ASSI {   48}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.24234E-03 ppm1      8.199 ppm2      8.062 CV     1
 ASSI {   49}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 4    and name HE3 ))
      3.100     1.200     1.200 peak    49 spectrum    1 weight  0.10000E+01 volume  0.93447E-03 ppm1      7.053 ppm2      8.199 CV     1
 ASSI {   52}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 4    and name HE3 ))
      4.300     2.300     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.15051E-03 ppm1      6.961 ppm2      8.209 CV     1
 ASSI {   54}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 7    and name HD% )
      2.200     0.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.71333E-02 ppm1      6.967 ppm2      7.053 CV     1
 ASSI {   59}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HZ  ))
      3.100     1.200     1.200 peak    59 spectrum    1 weight  0.10000E+01 volume  0.10138E-02 ppm1      7.055 ppm2      6.856 CV     1
 ASSI {   60}
   (( segid "    " and resid 7    and name HZ  ))
   (  segid "    " and resid 7    and name HE% )
      2.300     0.700     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.56685E-02 ppm1      6.852 ppm2      6.961 CV     1
 ASSI {   63}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 8    and name HE21))
      3.500     1.600     1.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.45315E-03 ppm1      7.248 ppm2      6.552 CV     1
 ASSI {   64}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 8    and name HE21))
      4.100     2.200     1.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.17624E-03 ppm1      7.326 ppm2      6.556 CV     1
 ASSI {   67}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.200     2.200     1.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.16009E-03 ppm1      6.438 ppm2      7.952 CV     1
 ASSI {   70}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 11   and name HD2 ))
      3.700     1.700     1.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.37292E-03 ppm1      6.966 ppm2      6.427 CV     1
 ASSI {   73}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.14195E-03 ppm1      7.054 ppm2      7.772 CV     1
 ASSI {   74}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.32837E-03 ppm1      6.437 ppm2      7.772 CV     1
 ASSI {   75}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak    75 spectrum    1 weight  0.10000E+01 volume  0.20070E-03 ppm1      6.884 ppm2      8.276 CV     1
 ASSI {   76}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      4.100     2.100     1.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.19350E-03 ppm1      6.887 ppm2      8.587 CV     1
 ASSI {   77}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      4.400     2.400     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.12706E-03 ppm1      6.636 ppm2      8.248 CV     1
 ASSI {   79}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.700     1.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.38143E-03 ppm1      6.640 ppm2      7.912 CV     1
 ASSI {   80}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 16   and name HE  ))
      4.300     2.300     1.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.13914E-03 ppm1      6.629 ppm2      7.016 CV     1
 ASSI {   81}
   (  segid "    " and resid 65   and name HE% )
   (( segid "    " and resid 16   and name HE  ))
      2.700     2.700     3.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.25232E-02 ppm1      6.874 ppm2      7.001 CV     1
 ASSI {   83}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.34780E-03 ppm1      7.027 ppm2      7.405 CV     1
 ASSI {   85}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.20619E-03 ppm1      7.158 ppm2      8.977 CV     1
 ASSI {   90}
   (( segid "    " and resid 37   and name HZ  ))
   (( segid "    " and resid 35   and name HD22))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.22490E-03 ppm1      6.390 ppm2      6.166 CV     1
 ASSI {   94}
   (( segid "    " and resid 37   and name HZ  ))
   (  segid "    " and resid 29   and name HD% )
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.59069E-03 ppm1      6.390 ppm2      7.020 CV     1
 ASSI {   96}
   (( segid "    " and resid 37   and name HZ  ))
   (  segid "    " and resid 29   and name HE% )
      3.800     1.800     1.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.28072E-03 ppm1      6.392 ppm2      7.291 CV     1
 ASSI {  102}
   (  segid "    " and resid 39   and name HE% )
   (  segid "    " and resid 65   and name HD% )
      3.700     1.700     1.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.34029E-03 ppm1      6.640 ppm2      7.359 CV     1
 ASSI {  106}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 40   and name HN  ))
      4.100     2.100     1.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.18661E-03 ppm1      6.634 ppm2      7.707 CV     1
 ASSI {  108}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.31668E-03 ppm1      7.337 ppm2      8.406 CV     1
 ASSI {  109}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 62   and name HN  ))
      2.900     2.900     3.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.13947E-02 ppm1      7.402 ppm2      7.520 CV     1
 ASSI {  112}
   (( segid "    " and resid 64   and name HZ  ))
   (  segid "    " and resid 64   and name HD% )
      2.800     1.000     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.20107E-02 ppm1      7.105 ppm2      7.402 CV     1
 ASSI {  114}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 64   and name HE% )
      2.100     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.95862E-02 ppm1      7.405 ppm2      7.137 CV     1
 ASSI {  115}
   (( segid "    " and resid 87   and name HZ  ))
   (  segid "    " and resid 64   and name HE% )
      4.100     2.100     1.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.18607E-03 ppm1      6.392 ppm2      7.139 CV     1
 ASSI {  119}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 65   and name HD% )
      1.900     0.500     0.500 peak   119 spectrum    1 weight  0.10000E+01 volume  0.17948E-01 ppm1      6.883 ppm2      7.356 CV     1
 ASSI {  122}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.48130E-03 ppm1      7.404 ppm2      9.651 CV     1
 ASSI {  123}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   123 spectrum    1 weight  0.10000E+01 volume  0.77130E-03 ppm1      7.357 ppm2      9.654 CV     1
 ASSI {  124}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 66   and name HN  ))
      3.600     1.600     1.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.43921E-03 ppm1      7.359 ppm2      9.285 CV     1
 ASSI {  129}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 85   and name HN  ))
      4.300     2.300     1.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.14483E-03 ppm1      7.353 ppm2      9.083 CV     1
 ASSI {  130}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 64   and name HD% )
      3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.34724E-03 ppm1      6.771 ppm2      7.407 CV     1
 ASSI {  132}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 7    and name HZ  ))
      3.200     1.300     1.300 peak   132 spectrum    1 weight  0.10000E+01 volume  0.80895E-03 ppm1      6.541 ppm2      6.853 CV     1
 ASSI {  135}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 87   and name HE% )
      3.300     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.74083E-03 ppm1      7.403 ppm2      6.541 CV     1
 ASSI {  137}
   (  segid "    " and resid 64   and name HE% )
   (  segid "    " and resid 87   and name HE% )
      4.000     2.000     2.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.22992E-03 ppm1      7.133 ppm2      6.542 CV     1
 ASSI {  140}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 87   and name HN  ))
      4.300     2.300     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.13816E-03 ppm1      7.402 ppm2      7.960 CV     1
 ASSI {  142}
   (( segid "    " and resid 87   and name HZ  ))
   (  segid "    " and resid 64   and name HD% )
      4.100     2.100     1.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.17783E-03 ppm1      6.385 ppm2      7.395 CV     1
 ASSI {  144}
   (( segid "    " and resid 64   and name HZ  ))
   (( segid "    " and resid 87   and name HZ  ))
      4.200     2.200     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.16327E-03 ppm1      7.095 ppm2      6.393 CV     1
 ASSI {  150}
   (( segid "    " and resid 4    and name HE3 ))
   (  segid "    " and resid 95   and name HB% )
      3.700     1.700     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.34685E-03 ppm1      8.201 ppm2      0.875 CV     1
 ASSI {  151}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 98   and name HN  ))
      4.400     2.400     1.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.12745E-03 ppm1      6.968 ppm2      7.311 CV     1
 ASSI {  152}
   (  segid "    " and resid 99   and name HD% )
   (  segid "    " and resid 7    and name HD% )
      4.200     2.200     1.800 peak   152 spectrum    1 weight  0.10000E+01 volume  0.15732E-03 ppm1      6.543 ppm2      7.053 CV     1
 ASSI {  154}
   (  segid "    " and resid 99   and name HD% )
   (  segid "    " and resid 7    and name HE% )
      3.100     1.200     1.200 peak   154 spectrum    1 weight  0.10000E+01 volume  0.94129E-03 ppm1      6.546 ppm2      6.969 CV     1
 ASSI {  160}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.400     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.13430E-03 ppm1      6.976 ppm2      8.034 CV     1
 ASSI {  161}
   (  segid "    " and resid 99   and name HD% )
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14944E-03 ppm1      6.545 ppm2      8.045 CV     1
 ASSI {    6}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 90   and name HB  ))
      3.300     1.400     1.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.65710E-03 ppm1      7.120 ppm2      3.798 CV     1
 ASSI {    8}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 11   and name HB3 ))
      3.200     1.300     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.77987E-03 ppm1      6.968 ppm2      1.768 CV     1
 ASSI {   13}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB3 ))
      3.200     1.300     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.76458E-03 ppm1      6.442 ppm2      0.973 CV     1
 ASSI {   15}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.34690E-02 ppm1      2.987 ppm2      9.647 CV     1
 ASSI {   84}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.800     2.800     3.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.19761E-02 ppm1      7.157 ppm2      3.303 CV     1
 ASSI {   85}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.900     2.900     3.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.15278E-02 ppm1      7.159 ppm2      3.188 CV     1
 ASSI {   86}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 32   and name HD2 ))
      3.100     3.100     2.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.93016E-03 ppm1      7.027 ppm2      2.039 CV     1
 ASSI {  161}
   (( segid "    " and resid 64   and name HZ  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.300     3.300     2.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.65708E-03 ppm1      7.105 ppm2      3.586 CV     1
 OR {  161}
   (( segid "    " and resid 64   and name HZ  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {   18}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak    18 spectrum    1 weight  0.10000E+01 volume  0.54382E-02 ppm1      8.201 ppm2      5.463 CV     1
 ASSI {   19}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak    19 spectrum    1 weight  0.10000E+01 volume  0.74095E-03 ppm1      7.054 ppm2      5.463 CV     1
 ASSI {   20}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak    20 spectrum    1 weight  0.10000E+01 volume  0.23648E-02 ppm1      7.248 ppm2      3.342 CV     1
 ASSI {   21}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      8.203 ppm2      3.342 CV     1
 ASSI {   22}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.400     0.700     0.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.46746E-02 ppm1      7.248 ppm2      3.177 CV     1
 ASSI {   23}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      3.300     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.75016E-03 ppm1      7.245 ppm2      3.706 CV     1
 ASSI {   24}
   (( segid "    " and resid 4    and name HD1 ))
   (  segid "    " and resid 5    and name HD1%)
      2.900     1.100     1.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.14120E-02 ppm1      7.250 ppm2      0.882 CV     1
 ASSI {   25}
   (( segid "    " and resid 4    and name HD1 ))
   (  segid "    " and resid 5    and name HD2%)
      3.000     1.100     1.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.11593E-02 ppm1      7.250 ppm2      0.827 CV     1
 ASSI {   26}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.22240E-02 ppm1      7.056 ppm2      4.075 CV     1
 ASSI {   27}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.33242E-02 ppm1      6.438 ppm2      4.076 CV     1
 ASSI {   28}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.20499E-02 ppm1      8.202 ppm2      3.672 CV     1
 ASSI {   29}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HB2 ))
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.32051E-02 ppm1      7.055 ppm2      3.668 CV     1
 ASSI {   30}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 7    and name HB3 ))
      2.400     0.700     0.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.42247E-02 ppm1      7.055 ppm2      3.149 CV     1
 ASSI {   31}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.21402E-02 ppm1      7.056 ppm2      3.520 CV     1
 ASSI {   32}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HB2 ))
      3.500     1.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.52744E-03 ppm1      7.062 ppm2      1.770 CV     1
 ASSI {   33}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HB3 ))
      3.000     3.000     3.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.13577E-02 ppm1      7.055 ppm2      1.626 CV     1
 ASSI {   34}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 8    and name HE22))
      3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      7.246 ppm2      4.684 CV     1
 ASSI {   35}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HG3 ))
      2.700     0.900     0.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.21623E-02 ppm1      7.053 ppm2      1.248 CV     1
 OR {   35}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 8    and name HG2 ))
 ASSI {   36}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.29480E-02 ppm1      7.292 ppm2      4.090 CV     1
 ASSI {   37}
   (( segid "    " and resid 29   and name HZ  ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.20535E-02 ppm1      7.030 ppm2      4.088 CV     1
 ASSI {   38}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.64507E-03 ppm1      6.876 ppm2      4.076 CV     1
 ASSI {   39}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.900     1.000     1.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.15281E-02 ppm1      6.437 ppm2      1.299 CV     1
 ASSI {   40}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 10   and name HG2 ))
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.10000E+01 volume  0.63736E-03 ppm1      7.298 ppm2      1.351 CV     1
 ASSI {   41}
   (( segid "    " and resid 29   and name HZ  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.300     1.300     1.300 peak    41 spectrum    1 weight  0.10000E+01 volume  0.71242E-03 ppm1      7.026 ppm2      1.369 CV     1
 ASSI {   42}
   (  segid "    " and resid 29   and name HE% )
   (( segid "    " and resid 10   and name HG3 ))
      3.400     1.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.53128E-03 ppm1      7.290 ppm2      0.363 CV     1
 ASSI {   43}
   (( segid "    " and resid 29   and name HZ  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.400     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.56552E-03 ppm1      7.031 ppm2      0.370 CV     1
 ASSI {   44}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HB3 ))
      3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.10285E-02 ppm1      6.437 ppm2      1.774 CV     1
 ASSI {   45}
   (( segid "    " and resid 4    and name HH2 ))
   (  segid "    " and resid 12   and name HD1%)
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.23970E-02 ppm1      7.166 ppm2      1.080 CV     1
 ASSI {   46}
   (( segid "    " and resid 4    and name HZ3 ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.000     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.15215E-02 ppm1      6.807 ppm2      1.078 CV     1
 ASSI {   47}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      7.055 ppm2      1.079 CV     1
 ASSI {   48}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 12   and name HD1%)
      2.900     1.100     1.100 peak    48 spectrum    1 weight  0.10000E+01 volume  0.14324E-02 ppm1      6.970 ppm2      1.067 CV     1
 ASSI {   49}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.78019E-03 ppm1      6.875 ppm2      5.046 CV     1
 ASSI {   50}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 13   and name HB  ))
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.23710E-02 ppm1      6.876 ppm2      3.684 CV     1
 ASSI {   51}
   (  segid "    " and resid 39   and name HD% )
   (  segid "    " and resid 13   and name HG2%)
      2.500     0.800     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.40356E-02 ppm1      6.892 ppm2      1.049 CV     1
 ASSI {   52}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.23616E-02 ppm1      6.892 ppm2      4.914 CV     1
 ASSI {   53}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.28380E-02 ppm1      6.640 ppm2      4.919 CV     1
 ASSI {   54}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.10379E-02 ppm1      6.895 ppm2      4.450 CV     1
 ASSI {   55}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.52093E-02 ppm1      6.641 ppm2      4.449 CV     1
 ASSI {   56}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 16   and name HD2 ))
      2.700     0.900     0.900 peak    56 spectrum    1 weight  0.10000E+01 volume  0.24839E-02 ppm1      6.894 ppm2      2.714 CV     1
 OR {   56}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {   57}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 16   and name HD3 ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10590E-02 ppm1      6.642 ppm2      2.715 CV     1
 OR {   57}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {   58}
   (( segid "    " and resid 37   and name HZ  ))
   (  segid "    " and resid 18   and name HG1%)
      3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.95467E-03 ppm1      6.394 ppm2      0.371 CV     1
 ASSI {   59}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 18   and name HG2%)
      2.600     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.27838E-02 ppm1      6.888 ppm2     -0.045 CV     1
 ASSI {   60}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 23   and name HB  ))
      3.400     1.400     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.61068E-03 ppm1      6.905 ppm2      1.364 CV     1
 ASSI {   61}
   (  segid "    " and resid 37   and name HE% )
   (  segid "    " and resid 23   and name HD1%)
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.96104E-03 ppm1      6.899 ppm2      0.597 CV     1
 ASSI {   62}
   (( segid "    " and resid 37   and name HZ  ))
   (  segid "    " and resid 23   and name HD1%)
      3.400     1.400     1.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.62120E-03 ppm1      6.395 ppm2      0.588 CV     1
 ASSI {   63}
   (  segid "    " and resid 29   and name HE% )
   (  segid "    " and resid 23   and name HG2%)
      3.400     1.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.56647E-03 ppm1      7.296 ppm2      0.674 CV     1
 ASSI {   64}
   (( segid "    " and resid 29   and name HZ  ))
   (  segid "    " and resid 23   and name HG2%)
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.30422E-02 ppm1      7.034 ppm2      0.678 CV     1
 ASSI {   65}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 23   and name HG2%)
      3.200     1.300     1.300 peak    65 spectrum    1 weight  0.10000E+01 volume  0.77466E-03 ppm1      6.874 ppm2      0.676 CV     1
 ASSI {   68}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.28907E-02 ppm1      7.025 ppm2      3.786 CV     1
 ASSI {   69}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 24   and name HD1%)
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.80818E-03 ppm1      7.026 ppm2      0.024 CV     1
 ASSI {   70}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 24   and name HD1%)
      3.100     3.100     2.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.10234E-02 ppm1      6.888 ppm2      0.032 CV     1
 ASSI {   73}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 24   and name HD2%)
      3.100     1.200     1.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.10672E-02 ppm1      7.024 ppm2     -0.045 CV     1
 ASSI {   76}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.300     1.300 peak    76 spectrum    1 weight  0.10000E+01 volume  0.72603E-03 ppm1      7.156 ppm2      3.977 CV     1
 ASSI {   78}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 28   and name HB3 ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      7.028 ppm2      0.962 CV     1
 ASSI {   80}
   (( segid "    " and resid 29   and name HZ  ))
   (  segid "    " and resid 28   and name HD2%)
      3.000     1.200     1.200 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11408E-02 ppm1      7.028 ppm2      0.469 CV     1
 ASSI {   81}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.28975E-02 ppm1      7.025 ppm2      4.537 CV     1
 ASSI {   82}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB3 ))
      2.400     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.50045E-02 ppm1      7.026 ppm2      2.994 CV     1
 OR {   82}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {   83}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.77121E-03 ppm1      7.160 ppm2      4.315 CV     1
 ASSI {   87}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 32   and name HD3 ))
      3.100     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      7.026 ppm2      1.840 CV     1
 ASSI {   88}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.72840E-03 ppm1      6.882 ppm2      2.083 CV     1
 ASSI {   89}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 35   and name HB3 ))
      3.100     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.95377E-03 ppm1      6.893 ppm2      1.614 CV     1
 ASSI {   90}
   (  segid "    " and resid 37   and name HE% )
   (( segid "    " and resid 35   and name HD21))
      2.800     1.000     1.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      6.890 ppm2      3.609 CV     1
 ASSI {   91}
   (( segid "    " and resid 37   and name HZ  ))
   (( segid "    " and resid 35   and name HD21))
      3.200     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.83592E-03 ppm1      6.388 ppm2      3.617 CV     1
 ASSI {   92}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 35   and name HD22))
      3.400     1.400     1.400 peak    92 spectrum    1 weight  0.10000E+01 volume  0.57999E-03 ppm1      4.085 ppm2      6.159 CV     1
 ASSI {   93}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 35   and name HD22))
      3.000     1.100     1.100 peak    93 spectrum    1 weight  0.10000E+01 volume  0.12963E-02 ppm1      4.518 ppm2      6.167 CV     1
 ASSI {   94}
   (  segid "    " and resid 24   and name HD2%)
   (( segid "    " and resid 35   and name HD22))
      3.100     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1     -0.038 ppm2      6.160 CV     1
 ASSI {   97}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.15753E-02 ppm1      6.875 ppm2      4.530 CV     1
 ASSI {   99}
   (  segid "    " and resid 99   and name HE% )
   (  segid "    " and resid 36   and name HG2%)
      3.100     1.200     1.200 peak    99 spectrum    1 weight  0.10000E+01 volume  0.10923E-02 ppm1      6.640 ppm2      0.797 CV     1
 ASSI {  100}
   (( segid "    " and resid 99   and name HZ  ))
   (  segid "    " and resid 36   and name HG2%)
      2.800     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.19250E-02 ppm1      6.769 ppm2      0.793 CV     1
 ASSI {  101}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.45651E-02 ppm1      6.884 ppm2      4.618 CV     1
 ASSI {  102}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.31687E-02 ppm1      6.873 ppm2      2.909 CV     1
 ASSI {  103}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 37   and name HB3 ))
      2.500     0.800     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.35904E-02 ppm1      6.876 ppm2      2.543 CV     1
 ASSI {  104}
   (  segid "    " and resid 7    and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.400     1.400     1.400 peak   104 spectrum    1 weight  0.10000E+01 volume  0.58080E-03 ppm1      7.053 ppm2      0.366 CV     1
 ASSI {  105}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.100     1.100 peak   105 spectrum    1 weight  0.10000E+01 volume  0.14512E-02 ppm1      6.967 ppm2      0.366 CV     1
 ASSI {  107}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.10418E-02 ppm1      6.775 ppm2      0.365 CV     1
 ASSI {  109}
   (  segid "    " and resid 99   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.88553E-03 ppm1      6.643 ppm2      0.369 CV     1
 ASSI {  110}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      2.500     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.35100E-02 ppm1      7.404 ppm2      0.821 CV     1
 ASSI {  111}
   (  segid "    " and resid 64   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.300     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.71372E-03 ppm1      7.139 ppm2      0.829 CV     1
 ASSI {  112}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.600     1.600     1.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.42683E-03 ppm1      7.365 ppm2      0.816 CV     1
 ASSI {  113}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 39   and name HA  ))
      2.400     0.700     0.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.51181E-02 ppm1      6.895 ppm2      5.400 CV     1
 ASSI {  114}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 39   and name HA  ))
      3.000     3.000     3.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11798E-02 ppm1      6.640 ppm2      5.399 CV     1
 ASSI {  115}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 39   and name HB2 ))
      2.500     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.40688E-02 ppm1      6.895 ppm2      3.155 CV     1
 ASSI {  116}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 39   and name HB2 ))
      2.900     2.900     3.100 peak   116 spectrum    1 weight  0.10000E+01 volume  0.14589E-02 ppm1      6.637 ppm2      3.148 CV     1
 ASSI {  117}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 39   and name HB3 ))
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.36958E-02 ppm1      6.896 ppm2      2.608 CV     1
 ASSI {  118}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.30519E-02 ppm1      7.403 ppm2      4.163 CV     1
 ASSI {  119}
   (  segid "    " and resid 64   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak   119 spectrum    1 weight  0.10000E+01 volume  0.76211E-03 ppm1      7.141 ppm2      4.172 CV     1
 ASSI {  120}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 40   and name HB3 ))
      3.000     1.100     1.100 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11643E-02 ppm1      7.401 ppm2      3.189 CV     1
 ASSI {  121}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.17384E-02 ppm1      7.164 ppm2      4.435 CV     1
 ASSI {  122}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   122 spectrum    1 weight  0.10000E+01 volume  0.12158E-02 ppm1      7.338 ppm2      4.434 CV     1
 ASSI {  123}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.500     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.54533E-03 ppm1      6.804 ppm2      4.432 CV     1
 ASSI {  124}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     1.300     1.300 peak   124 spectrum    1 weight  0.10000E+01 volume  0.88360E-03 ppm1      7.162 ppm2      2.444 CV     1
 ASSI {  125}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.29571E-02 ppm1      7.334 ppm2      2.442 CV     1
 ASSI {  127}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.42747E-02 ppm1      7.334 ppm2      2.288 CV     1
 ASSI {  128}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.78514E-03 ppm1      7.335 ppm2      4.161 CV     1
 ASSI {  129}
   (( segid "    " and resid 64   and name HZ  ))
   (( segid "    " and resid 45   and name HA  ))
      3.400     1.400     1.400 peak   129 spectrum    1 weight  0.10000E+01 volume  0.61885E-03 ppm1      7.107 ppm2      3.885 CV     1
 ASSI {  130}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 45   and name HB  ))
      2.800     0.900     0.900 peak   130 spectrum    1 weight  0.10000E+01 volume  0.20481E-02 ppm1      7.166 ppm2      2.577 CV     1
 ASSI {  131}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 45   and name HB  ))
      3.500     1.500     1.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.52808E-03 ppm1      7.338 ppm2      2.575 CV     1
 ASSI {  132}
   (( segid "    " and resid 4    and name HH2 ))
   (  segid "    " and resid 45   and name HG1%)
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.23725E-02 ppm1      7.164 ppm2      1.245 CV     1
 ASSI {  133}
   (( segid "    " and resid 4    and name HZ2 ))
   (  segid "    " and resid 45   and name HG1%)
      2.800     2.800     3.200 peak   133 spectrum    1 weight  0.10000E+01 volume  0.18682E-02 ppm1      7.334 ppm2      1.245 CV     1
 ASSI {  134}
   (( segid "    " and resid 4    and name HZ3 ))
   (  segid "    " and resid 45   and name HG1%)
      2.600     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.30666E-02 ppm1      6.811 ppm2      1.240 CV     1
 ASSI {  135}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 45   and name HG1%)
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.33829E-02 ppm1      6.970 ppm2      1.239 CV     1
 ASSI {  136}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 45   and name HG1%)
      3.200     1.300     1.300 peak   136 spectrum    1 weight  0.10000E+01 volume  0.76272E-03 ppm1      6.545 ppm2      1.235 CV     1
 ASSI {  138}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.12949E-02 ppm1      7.405 ppm2      1.167 CV     1
 ASSI {  139}
   (  segid "    " and resid 64   and name HE% )
   (  segid "    " and resid 45   and name HG2%)
      2.900     1.000     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.15987E-02 ppm1      7.145 ppm2      1.167 CV     1
 ASSI {  140}
   (( segid "    " and resid 64   and name HZ  ))
   (  segid "    " and resid 45   and name HG2%)
      3.400     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.55102E-03 ppm1      7.094 ppm2      1.171 CV     1
 ASSI {  141}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 45   and name HG2%)
      3.200     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.87877E-03 ppm1      6.550 ppm2      1.169 CV     1
 ASSI {  142}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 46   and name HB2 ))
      3.500     1.500     1.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.50160E-03 ppm1      7.160 ppm2      1.577 CV     1
 ASSI {  143}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.900     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      7.335 ppm2      1.588 CV     1
 ASSI {  144}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.000     1.200     1.200 peak   144 spectrum    1 weight  0.10000E+01 volume  0.11461E-02 ppm1      7.166 ppm2      1.473 CV     1
 ASSI {  145}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 46   and name HB3 ))
      2.600     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.27505E-02 ppm1      7.335 ppm2      1.470 CV     1
 ASSI {  147}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 46   and name HE2 ))
      3.500     1.500     1.500 peak   147 spectrum    1 weight  0.10000E+01 volume  0.52838E-03 ppm1      7.248 ppm2      2.387 CV     1
 ASSI {  148}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 46   and name HE3 ))
      3.200     3.200     2.800 peak   148 spectrum    1 weight  0.10000E+01 volume  0.84761E-03 ppm1      7.245 ppm2      2.226 CV     1
 ASSI {  149}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.900     2.900     3.100 peak   149 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      7.335 ppm2      1.125 CV     1
 ASSI {  151}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 48   and name HD1%)
      2.800     1.000     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.18311E-02 ppm1      6.544 ppm2      0.762 CV     1
 ASSI {  152}
   (( segid "    " and resid 87   and name HZ  ))
   (  segid "    " and resid 48   and name HD1%)
      2.900     1.100     1.100 peak   152 spectrum    1 weight  0.10000E+01 volume  0.15111E-02 ppm1      6.394 ppm2      0.761 CV     1
 ASSI {  153}
   (  segid "    " and resid 64   and name HE% )
   (( segid "    " and resid 60   and name HB  ))
      2.500     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.35711E-02 ppm1      7.141 ppm2      4.568 CV     1
 ASSI {  154}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.16664E-02 ppm1      7.404 ppm2      0.457 CV     1
 ASSI {  156}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 60   and name HG2%)
      2.900     1.000     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.15555E-02 ppm1      6.773 ppm2      0.461 CV     1
 ASSI {  157}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 60   and name HG2%)
      3.000     1.100     1.100 peak   157 spectrum    1 weight  0.10000E+01 volume  0.13120E-02 ppm1      6.546 ppm2      0.463 CV     1
 ASSI {  158}
   (( segid "    " and resid 87   and name HZ  ))
   (  segid "    " and resid 60   and name HG2%)
      3.200     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.78220E-03 ppm1      6.396 ppm2      0.463 CV     1
 ASSI {  159}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 62   and name HB3 ))
      3.300     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.71192E-03 ppm1      7.400 ppm2      3.625 CV     1
 OR {  159}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  160}
   (  segid "    " and resid 64   and name HE% )
   (( segid "    " and resid 62   and name HB3 ))
      3.200     1.300     1.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.88803E-03 ppm1      7.139 ppm2      3.621 CV     1
 OR {  160}
   (  segid "    " and resid 64   and name HE% )
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  162}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HB2 ))
      2.300     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.55617E-02 ppm1      7.404 ppm2      3.291 CV     1
 ASSI {  163}
   (  segid "    " and resid 87   and name HD% )
   (( segid "    " and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.85494E-03 ppm1      6.770 ppm2      3.295 CV     1
 ASSI {  165}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HB3 ))
      2.500     0.800     0.800 peak   165 spectrum    1 weight  0.10000E+01 volume  0.40585E-02 ppm1      7.403 ppm2      2.974 CV     1
 ASSI {  166}
   (  segid "    " and resid 64   and name HE% )
   (( segid "    " and resid 64   and name HB3 ))
      3.300     1.400     1.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.69806E-03 ppm1      7.126 ppm2      2.981 CV     1
 ASSI {  167}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 64   and name HB3 ))
      2.900     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16135E-02 ppm1      6.545 ppm2      2.968 CV     1
 ASSI {  168}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.41894E-02 ppm1      7.357 ppm2      4.896 CV     1
 ASSI {  169}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.800     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.32037E-02 ppm1      6.892 ppm2      3.559 CV     1
 ASSI {  170}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.83636E-03 ppm1      6.639 ppm2      3.549 CV     1
 ASSI {  171}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.26564E-02 ppm1      7.357 ppm2      3.555 CV     1
 ASSI {  172}
   (  segid "    " and resid 39   and name HD% )
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak   172 spectrum    1 weight  0.10000E+01 volume  0.22032E-02 ppm1      6.894 ppm2      2.999 CV     1
 ASSI {  173}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 65   and name HB3 ))
      2.700     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.23503E-02 ppm1      7.357 ppm2      2.995 CV     1
 ASSI {  175}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 66   and name HD1%)
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.21942E-02 ppm1      6.773 ppm2      0.914 CV     1
 ASSI {  176}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 66   and name HD2%)
      3.200     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.78624E-03 ppm1      7.398 ppm2      0.699 CV     1
 ASSI {  177}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 66   and name HD2%)
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.41084E-02 ppm1      6.773 ppm2      0.692 CV     1
 ASSI {  178}
   (  segid "    " and resid 37   and name HD% )
   (( segid "    " and resid 67   and name HB2 ))
      3.300     1.300     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.73665E-03 ppm1      6.880 ppm2      3.926 CV     1
 ASSI {  181}
   (  segid "    " and resid 65   and name HD% )
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak   181 spectrum    1 weight  0.10000E+01 volume  0.78392E-03 ppm1      7.358 ppm2      5.428 CV     1
 ASSI {  182}
   (  segid "    " and resid 65   and name HD% )
   (  segid "    " and resid 84   and name HG2%)
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.29418E-02 ppm1      7.358 ppm2      0.939 CV     1
 ASSI {  183}
   (  segid "    " and resid 65   and name HE% )
   (  segid "    " and resid 84   and name HG2%)
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.41800E-02 ppm1      6.889 ppm2      0.941 CV     1
 ASSI {  184}
   (  segid "    " and resid 87   and name HD% )
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.55584E-03 ppm1      6.773 ppm2      4.495 CV     1
 ASSI {  185}
   (  segid "    " and resid 87   and name HD% )
   (( segid "    " and resid 87   and name HA  ))
      3.000     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.11587E-02 ppm1      6.770 ppm2      4.905 CV     1
 ASSI {  186}
   (  segid "    " and resid 87   and name HD% )
   (( segid "    " and resid 87   and name HB2 ))
      2.400     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.43767E-02 ppm1      6.772 ppm2      3.110 CV     1
 ASSI {  187}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HB2 ))
      3.300     1.400     1.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.64711E-03 ppm1      6.544 ppm2      3.098 CV     1
 ASSI {  188}
   (  segid "    " and resid 87   and name HD% )
   (( segid "    " and resid 87   and name HB3 ))
      2.300     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.60454E-02 ppm1      6.772 ppm2      2.957 CV     1
 ASSI {  189}
   (  segid "    " and resid 7    and name HE% )
   (  segid "    " and resid 89   and name HG1%)
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.21639E-02 ppm1      6.969 ppm2      1.025 CV     1
 ASSI {  191}
   (  segid "    " and resid 87   and name HD% )
   (  segid "    " and resid 89   and name HG1%)
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.53094E-02 ppm1      6.774 ppm2      1.025 CV     1
 ASSI {  192}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 89   and name HG1%)
      2.500     0.800     0.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.33494E-02 ppm1      6.545 ppm2      1.025 CV     1
 ASSI {  193}
   (  segid "    " and resid 87   and name HE% )
   (  segid "    " and resid 89   and name HG2%)
      2.900     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.14827E-02 ppm1      6.545 ppm2      0.679 CV     1
 ASSI {  194}
   (( segid "    " and resid 98   and name HD2 ))
   (  segid "    " and resid 90   and name HG2%)
      3.400     1.400     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.61256E-03 ppm1      7.122 ppm2      1.053 CV     1
 ASSI {  195}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 96   and name HA  ))
      3.400     1.500     1.500 peak   195 spectrum    1 weight  0.10000E+01 volume  0.53383E-03 ppm1      6.808 ppm2      4.562 CV     1
 ASSI {  196}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 96   and name HB2 ))
      3.300     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.65526E-03 ppm1      6.966 ppm2      1.172 CV     1
 ASSI {  197}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 96   and name HB3 ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      8.203 ppm2      0.600 CV     1
 ASSI {  198}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 96   and name HB3 ))
      3.200     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.87825E-03 ppm1      6.806 ppm2      0.601 CV     1
 ASSI {  199}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 96   and name HB3 ))
      3.100     1.200     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      7.051 ppm2      0.595 CV     1
 ASSI {  200}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 96   and name HB3 ))
      3.300     1.400     1.400 peak   200 spectrum    1 weight  0.10000E+01 volume  0.65959E-03 ppm1      6.970 ppm2      0.596 CV     1
 ASSI {  201}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 96   and name HD2 ))
      2.800     1.000     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.19247E-02 ppm1      8.201 ppm2      3.164 CV     1
 ASSI {  202}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 96   and name HD3 ))
      2.800     2.800     3.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.19180E-02 ppm1      8.200 ppm2      2.937 CV     1
 ASSI {  203}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 96   and name HD3 ))
      3.100     1.200     1.200 peak   203 spectrum    1 weight  0.10000E+01 volume  0.10404E-02 ppm1      6.813 ppm2      2.928 CV     1
 ASSI {  204}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 96   and name HG2 ))
      3.100     3.100     2.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      8.199 ppm2      1.650 CV     1
 ASSI {  205}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 96   and name HG2 ))
      3.300     3.300     2.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.73023E-03 ppm1      7.169 ppm2      1.641 CV     1
 ASSI {  206}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 96   and name HG2 ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.23039E-02 ppm1      6.808 ppm2      1.646 CV     1
 ASSI {  207}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 96   and name HG3 ))
      3.000     1.100     1.100 peak   207 spectrum    1 weight  0.10000E+01 volume  0.12430E-02 ppm1      6.968 ppm2      1.607 CV     1
 ASSI {  208}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 97   and name HA  ))
      3.200     1.300     1.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.80644E-03 ppm1      8.193 ppm2      4.609 CV     1
 ASSI {  209}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 97   and name HA  ))
      2.600     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.26914E-02 ppm1      7.046 ppm2      4.617 CV     1
 ASSI {  210}
   (( segid "    " and resid 98   and name HD2 ))
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.37747E-02 ppm1      7.114 ppm2      0.671 CV     1
 ASSI {  211}
   (  segid "    " and resid 7    and name HD% )
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      7.052 ppm2      5.601 CV     1
 ASSI {  212}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HB2 ))
      3.300     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.73827E-03 ppm1      7.110 ppm2      3.338 CV     1
 ASSI {  213}
   (( segid "    " and resid 98   and name HD2 ))
   (( segid "    " and resid 98   and name HB3 ))
      3.000     1.100     1.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.12328E-02 ppm1      7.115 ppm2      2.900 CV     1
 ASSI {  214}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.17398E-02 ppm1      6.966 ppm2      4.285 CV     1
 ASSI {  216}
   (  segid "    " and resid 99   and name HD% )
   (( segid "    " and resid 99   and name HB2 ))
      3.000     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.11361E-02 ppm1      6.548 ppm2      2.809 CV     1
 ASSI {  217}
   (  segid "    " and resid 7    and name HE% )
   (( segid "    " and resid 99   and name HB3 ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      6.968 ppm2      1.570 CV     1
 ASSI {  218}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 99   and name HB3 ))
      3.500     1.500     1.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.51534E-03 ppm1      6.444 ppm2      1.571 CV     1
 ASSI {  220}
   (  segid "    " and resid 99   and name HD% )
   (( segid "    " and resid 101  and name HA1 ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.61491E-03 ppm1      6.543 ppm2      4.056 CV     1
 ASSI {  221}
   (  segid "    " and resid 99   and name HE% )
   (( segid "    " and resid 101  and name HA1 ))
      3.300     1.300     1.300 peak   221 spectrum    1 weight  0.10000E+01 volume  0.71695E-03 ppm1      6.633 ppm2      4.060 CV     1
 ASSI {  222}
   (( segid "    " and resid 99   and name HZ  ))
   (( segid "    " and resid 102  and name HA  ))
      3.200     1.300     1.300 peak   222 spectrum    1 weight  0.10000E+01 volume  0.87764E-03 ppm1      6.771 ppm2      4.189 CV     1
 ASSI {  224}
   (( segid "    " and resid 99   and name HZ  ))
   (  segid "    " and resid 102  and name HG1%)
      2.800     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17470E-02 ppm1      6.767 ppm2      1.188 CV     1
 ASSI {  225}
   (  segid "    " and resid 99   and name HE% )
   (  segid "    " and resid 102  and name HG2%)
      3.000     3.000     3.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.12403E-02 ppm1      6.642 ppm2      1.056 CV     1


!ambiguous data:
 ASSI { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 29   and name HE% )
      3.800     1.800     1.800 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.32210E-03 ppm1      7.022 ppm2      7.312 CV     1
 OR { 1222}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI { 2249}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.24919E-02 ppm1      8.268 ppm2      3.681 CV     1
 OR { 2249}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 2491}
   (( segid "    " and resid 41   and name HH11))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     3.400     2.600 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.56951E-03 ppm1      6.767 ppm2      2.462 CV     1
 OR { 2491}
   (( segid "    " and resid 41   and name HH12))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 2491}
   (( segid "    " and resid 41   and name HH12))
   (( segid "    " and resid 44   and name HB2 ))
 OR { 2491}
   (( segid "    " and resid 41   and name HH21))
   (( segid "    " and resid 42   and name HB2 ))
 OR { 2491}
   (( segid "    " and resid 41   and name HH22))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 2108}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      4.000     2.000     2.000 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.20361E-03 ppm1      7.305 ppm2      4.290 CV     1
 OR { 2108}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 2667}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.600     1.600     1.600 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.43362E-03 ppm1      7.520 ppm2      1.726 CV     1
 OR { 2667}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI { 2799}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.200     1.300     1.300 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.81444E-03 ppm1      7.510 ppm2      1.269 CV     1
 OR { 2799}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
 ASSI {   20}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.300     1.800 peak    20 spectrum    1 weight  0.10000E+01 volume  0.15274E-03 ppm1      8.203 ppm2      8.466 CV     1
 OR {   20}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 97   and name HN  ))
 ASSI {   92}
   (  segid "    " and resid 87   and name HE% )
   (( segid "    " and resid 87   and name HN  ))
      4.200     2.200     1.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.17493E-03 ppm1      6.544 ppm2      7.964 CV     1
 OR {   92}
   (  segid "    " and resid 99   and name HD% )
   (( segid "    " and resid 11   and name HE2 ))
 ASSI {    7}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 65   and name HB3 ))
      3.300     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.64378E-03 ppm1      6.638 ppm2      2.997 CV     1
 OR {    7}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {    9}
   (  segid "    " and resid 99   and name HE% )
   (  segid "    " and resid 66   and name HD1%)
      3.100     3.100     2.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.97262E-03 ppm1      6.642 ppm2      0.941 CV     1
 OR {    9}
   (  segid "    " and resid 39   and name HE% )
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {   10}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 84   and name HG2%)
      3.400     1.400     1.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.58012E-03 ppm1      7.403 ppm2      0.925 CV     1
 OR {   10}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 66   and name HD1%)
 ASSI {   12}
   (  segid "    " and resid 39   and name HD% )
   (  segid "    " and resid 15   and name HG2%)
      3.200     1.300     1.300 peak    12 spectrum    1 weight  0.10000E+01 volume  0.79677E-03 ppm1      6.894 ppm2      0.806 CV     1
 OR {   12}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 36   and name HG2%)
 OR {   12}
   (  segid "    " and resid 39   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR {   12}
   (  segid "    " and resid 37   and name HD% )
   (  segid "    " and resid 15   and name HG2%)
 ASSI {   16}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 89   and name HG1%)
      3.400     3.400     2.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.54908E-03 ppm1      7.408 ppm2      1.036 CV     1
 OR {   16}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 OR {   16}
   (  segid "    " and resid 64   and name HD% )
   (  segid "    " and resid 13   and name HG2%)
 ASSI {   17}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.45440E-02 ppm1      7.403 ppm2      4.569 CV     1
 OR {   17}
   (  segid "    " and resid 64   and name HD% )
   (( segid "    " and resid 60   and name HB  ))
 ASSI {   75}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 24   and name HB2 ))
      3.300     1.400     1.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.70210E-03 ppm1      7.025 ppm2      1.460 CV     1
 OR {   75}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 26   and name HG2%)
 OR {   75}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 24   and name HB3 ))
 OR {   75}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 10   and name HD3 ))
 ASSI {   77}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     3.100     2.900 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10977E-02 ppm1      7.154 ppm2      3.871 CV     1
 OR {   77}
   (( segid "    " and resid 30   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   79}
   (( segid "    " and resid 29   and name HZ  ))
   (  segid "    " and resid 28   and name HD1%)
      3.200     1.300     1.300 peak    79 spectrum    1 weight  0.10000E+01 volume  0.88799E-03 ppm1      7.027 ppm2      0.612 CV     1
 OR {   79}
   (  segid "    " and resid 29   and name HD% )
   (  segid "    " and resid 28   and name HD1%)
 OR {   79}
   (  segid "    " and resid 29   and name HD% )
   (( segid "    " and resid 24   and name HG  ))
 ASSI {  146}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 8    and name HG3 ))
      3.400     1.500     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.56329E-03 ppm1      7.254 ppm2      1.250 CV     1
 OR {  146}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 46   and name HD2 ))


!Modified according to temp. coeff. (1st num.) and D2O exchange time (2nd num)
!

!T6 HN: -2.91	9h40m
assign (resid 3 and ((name OD1) or (name O))) (resid 6 and name HN) 2.0 0.3 0.6
assign (resid 3 and ((name OD1) or (name O))) (resid 6 and name  N) 3.0 0.7 0.6

!F7 HN: -3.47	18hrs
assign (resid 7 and name HN) (resid 3 and name O) 2.0 0.3 0.6
assign (resid 7 and name  N) (resid 3 and name O) 3.0 0.7 0.6


!Q8 HN: 2.08	18hrs
assign (resid 8 and name HN) (resid 4 and name O) 2.0 0.3 0.6
assign (resid 8 and name  N) (resid 4 and name O) 3.0 0.7 0.6

!K9 HN: 1.82	18hrs
assign (resid 9 and name HN) (resid 5 and name O) 2.0 0.3 0.6
assign (resid 9 and name  N) (resid 5 and name O) 3.0 0.7 0.6

!K10+F87 HN: 	18hrs 
assign (resid 10 and name HN) (resid 6 and name O) 2.0 0.3 0.6
assign (resid 10 and name  N) (resid 6 and name O) 3.0 0.7 0.6

!H11 HN: 0.42	18hrs
assign (resid 11 and name HN) (resid 7 and name O) 2.0 0.3 0.6
assign (resid 11 and name  N) (resid 7 and name O) 3.0 0.7 0.6

!I12 HN: -0.25	18hrs
assign (resid 12 and name HN) (resid 8 and name O) 2.0 0.3 0.6
assign (resid 12 and name  N) (resid 8 and name O) 3.0 0.7 0.6



!T13 HN: 1.51	18hrs
assign (resid 13 and name HN) (resid 38 and name O) 2.0 0.3 0.6
assign (resid 13 and name  N) (resid 38 and name O) 3.0 0.3 0.6


!N22 HN: 2.78     15min

!I23 HN: -0.2	 2hrs
assign (resid 23 and name HN) (resid 19 and name O) 2.0 0.3 0.6
assign (resid 23 and name  N) (resid 19 and name O) 3.0 0.7 0.6

!L24 HN: -1.15	18hrs
assign (resid 24 and name HN) (resid 20 and name O) 2.0 0.3 0.6
assign (resid 24 and name  N) (resid 20 and name O) 3.0 0.7 0.6

!S25 HN: 2.47	9h40m
assign (resid 25 and name HN) (((resid 22) or (resid 21)) and name O) 2.0 0.3 0.6
assign (resid 25 and name  N) (((resid 22) or (resid 21)) and name O) 3.0 0.7 0.6

!T26 HN: 0.38    1hr
!assign (resid 26 and name HN) (resid 23 and name O) 2.0 0.3 0.6
!assign (resid 26 and name  N) (resid 23 and name O) 3.0 0.7 0.6

!L28+H98: 	18hrs

!K32 HN:         2hrs

!K34 HN:         2hrs

!N35 HN: 1.24	18hrs
assign (resid 35 and name HN) (resid 69 and name O) 2.0 0.3 0.6
assign (resid 35 and name  N) (resid 69 and name O) 3.0 0.3 0.6

!F37 HN: 0.78	18hrs
assign (resid 37 and name HN) (resid 67 and name O) 2.0 0.3 0.6
assign (resid 37 and name  N) (resid 67 and name O) 3.0 0.3 0.6

!I38 HN: 0.39	18hrs
assign (resid 38 and name HN) (resid 11 and name O) 2.0 0.3 0.6
assign (resid 38 and name  N) (resid 11 and name O) 3.0 0.3 0.6

!Y39 HN: -2.51	18hrs
assign (resid 39 and name HN) (resid 65 and name O) 2.0 0.3 0.6
assign (resid 39 and name  N) (resid 65 and name O) 3.0 0.3 0.6

!S40 HN: 0.91	9h40m
assign (resid 40 and name HN) (resid 13 and name O) 2.0 0.3 0.6
assign (resid 40 and name  N) (resid 13 and name O) 3.0 0.3 0.6

!V45 HN: 2.3	18hrs
assign (resid 45 and name HN) (((resid 42) or (resid 41)) and name O) 2.0 0.3 0.6
assign (resid 45 and name  N) (((resid 42) or (resid 41)) and name O) 3.0 0.7 0.6

!K46 HN: -2.77	18hrs
assign (resid 46 and name HN) (((resid 43) or (resid 42)) and name O) 2.0 0.3 0.6
assign (resid 46 and name  N) (((resid 43) or (resid 42)) and name O) 3.0 0.7 0.6

!A47 HN: 1.18	18hrs
assign (resid 47 and name HN) (((resid 44) or (resid 43)) and name O) 2.0 0.3 0.6
assign (resid 47 and name  N) (((resid 44) or (resid 43)) and name O) 3.0 0.7 0.6


!I48 HN: 0.4	18hrs
assign (resid 48 and name HN) (resid 45 and name O) 2.0 0.3 0.6
assign (resid 48 and name  N) (resid 45 and name O) 3.0 0.7 0.6

!C49 HN: -1.09	18hrs
assign (resid 49 and name HN) (resid 46 and name O) 2.0 0.3 0.6
assign (resid 49 and name  N) (resid 46 and name O) 3.0 0.7 0.6

!K50 HN: 0.48	18hrs
assign (resid 50 and name HN) (resid 47 and name O) 2.0 0.3 0.6
assign (resid 50 and name  N) (resid 47 and name O) 3.0 0.3 0.6

!I52 HN: 0	18hrs
assign (resid 52 and name HN) (resid 49 and name O) 2.0 0.3 0.6
assign (resid 52 and name  N) (resid 49 and name O) 3.0 0.3 0.6




!K56 HN: -1.51    29mim
assign (resid 56 and name HN) (resid 91 and name O) 2.0 0.3 0.6
assign (resid 56 and name  N) (resid 91 and name O) 3.0 0.3 0.6

!V58 HN: -1.98	18hrs
assign (resid 58 and name HN) (resid 89 and name O) 2.0 0.3 0.6
assign (resid 58 and name  N) (resid 89 and name O) 3.0 0.3 0.6

!L59 HN: -6.05	9h40m
!???

!T60 HN: -1.17	18hrs
assign (resid 60 and name HN) (resid 87 and name O) 2.0 0.3 0.6
assign (resid 60 and name  N) (resid 87 and name O) 3.0 0.3 0.6


!F64 HN: -0.81	18hrs
assign (resid 64 and name HN) (resid 85 and name O) 2.0 0.3 0.6
assign (resid 64 and name  N) (resid 85 and name O) 3.0 0.3 0.6


!Y65 HN: -7.36	3h52m
assign (resid 65 and name HN) (resid 39 and name O) 2.0 0.3 1.6
assign (resid 65 and name  N) (resid 39 and name O) 3.0 0.3 1.6


!L66 HN: -4.84	18hrs
assign (resid 66 and name HN) (resid 83 and name O) 2.0 0.3 0.6
assign (resid 66 and name  N) (resid 83 and name O) 3.0 0.3 0.6

!S67 HN: -0.72	18hrs
assign (resid 67 and name HN) (resid 37 and name O) 2.0 0.3 0.6
assign (resid 67 and name  N) (resid 37 and name O) 3.0 0.3 0.6

!D68 HN: 0	18hrs
assign (resid 68 and name HN) (resid 81 and name O) 2.0 0.3 0.6
assign (resid 68 and name  N) (resid 81 and name O) 3.0 0.3 0.6

!C69 HN: 0.18	18hrs
assign (resid 69 and name HN) (resid 35 and name O) 2.0 0.3 0.6
assign (resid 69 and name  N) (resid 35 and name O) 3.0 0.3 0.6

!N70 HN: 2.94	18hrs
assign (resid 70 and name HN) (resid 79 and name O) 2.0 0.3 0.6
assign (resid 70 and name  N) (resid 79 and name O) 3.0 0.3 0.6

!V71 HN: -2.89	18hrs
assign (resid 71 and name HN) (resid 33 and name O) 2.0 0.3 0.6
assign (resid 71 and name  N) (resid 33 and name O) 3.0 0.3 0.6

!K77 HN: 0.21	18hrs
assign (resid 77 and name HN) (resid 74 and name O) 2.0 0.3 0.6
assign (resid 77 and name  N) (resid 74 and name O) 3.0 0.3 0.6

!Y78 HN:        3h52m

!K79 HN: 2.52	18hrs
assign (resid 79 and name HN) (resid 70 and name O) 2.0 0.3 0.6
assign (resid 79 and name  N) (resid 70 and name O) 3.0 0.3 0.6

!K81 HN: -2.53	18hrs
assign (resid 81 and name HN) (resid 68 and name O) 2.0 0.3 0.6
assign (resid 81 and name  N) (resid 68 and name O) 3.0 0.3 0.6

!S83 HN: 0.34	18hrs
assign (resid 83 and name HN) (resid 66 and name O) 2.0 0.3 0.6
assign (resid 83 and name  N) (resid 66 and name O) 3.0 0.3 0.6

!N85 HN: -0.62	18hrs
assign (resid 85 and name HN) (resid 64 and name O) 2.0 0.3 0.6
assign (resid 85 and name  N) (resid 64 and name O) 3.0 0.3 0.6

!K86 HN:         1hr

!F87+K10 HN: 	18hrs
assign (resid 87 and name HN) (resid 60 and name OG1) 2.0 0.3 0.6
assign (resid 87 and name  N) (resid 60 and name OG1) 3.0 0.3 0.6

!C88 HN: -1.51	18hrs
assign (resid 88 and name HN) (resid 101 and name O) 2.0 0.3 0.6
assign (resid 88 and name  N) (resid 101 and name O) 3.0 0.3 0.6

!V89 HN: 1.7	18hrs
assign (resid 89 and name HN) (resid 58 and name O) 2.0 0.3 0.6
assign (resid 89 and name  N) (resid 58 and name O) 3.0 0.3 0.6

!T90 HN: -0.19	18hrs
assign (resid 90 and name HN) (resid 98 and name O) 2.0 0.3 0.6
assign (resid 90 and name  N) (resid 98 and name O) 3.0 0.3 0.6

!C91 HN: -0.73	18hrs
assign (resid 91 and name HN) (resid 56 and name O) 2.0 0.3 0.6
assign (resid 91 and name  N) (resid 56 and name O) 3.0 0.3 0.6

!E92 HN: 1.43	18hrs
assign (resid 92 and name HN) (resid 95 and name O) 2.0 0.3 0.6
assign (resid 92 and name  N) (resid 95 and name O) 3.0 0.3 0.6

!Q94 HN: -0.85	18hrs
assign (resid 94 and name HN) (((resid 53) or (resid 52)) and name O) 2.0 0.3 0.6
assign (resid 94 and name  N) (((resid 53) or (resid 52)) and name O) 3.0 0.3 0.6

!A95 HN: -0.85	18hrs
assign (resid 95 and name HN) (resid 92 and name O) 2.0 0.3 0.6
assign (resid 95 and name  N) (resid 92 and name O) 3.0 0.3 0.6

!V97 HN: -1.06	18hrs
assign (resid 97 and name HN) (resid 90 and name O) 2.0 0.3 0.6
assign (resid 97 and name  N) (resid 90 and name O) 3.0 0.3 0.6

!V100 HN: 0.33	18hrs
!assign (resid 100 and name HN) (resid 88 and name O) 2.0 0.3 0.6
!assign (resid 100 and name  N) (resid 88 and name O) 3.0 0.3 0.6
!G101 HN: 2.22	18hrs
!====>
assign (((resid 100) or (resid 101)) and name HN) (resid 88 and name O) 2.0 0.3 0.6
assign (((resid 100) or (resid 101)) and name  N) (resid 88 and name O) 3.0 0.3 0.6

!G103 HN:         2hrs

!S104 HN:         2hrs




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1  -6.791  14.284  -0.797
    2   2H    MET   1           H2       MET   1  -7.207  15.890  -0.429
    3   3H    MET   1           H3       MET   1  -7.536  14.654   0.683
    4    HA   MET   1           HA       MET   1  -4.872  15.640  -0.151
    5   1HB   MET   1          HB2       MET   1  -6.076  17.058   1.478
    6   2HB   MET   1          HB3       MET   1  -6.269  15.668   2.535
    7   1HG   MET   1          HG2       MET   1  -3.838  15.520   2.770
    8   2HG   MET   1          HG3       MET   1  -3.661  16.934   1.733
    9   1HE   MET   1          HE1       MET   1  -2.214  18.180   3.589
   10   2HE   MET   1          HE2       MET   1  -2.720  18.327   5.273
   11   3HE   MET   1          HE3       MET   1  -2.344  16.740   4.600
   12    H    GLN   2           HN       GLN   2  -5.948  13.859   2.730
   13    HA   GLN   2           HA       GLN   2  -4.119  11.693   2.018
   14   1HB   GLN   2          HB2       GLN   2  -5.526  12.512   4.518
   15   2HB   GLN   2          HB3       GLN   2  -5.150  10.809   4.308
   16   1HG   GLN   2          HG2       GLN   2  -3.434  11.944   5.594
   17   2HG   GLN   2          HG3       GLN   2  -2.792  11.338   4.071
   18   1HE2  GLN   2          HE21      GLN   2  -2.135  12.800   2.497
   19   2HE2  GLN   2          HE22      GLN   2  -1.918  14.481   2.828
   20    H    ASP   3           HN       ASP   3  -5.356  11.100   0.184
   21    HA   ASP   3           HA       ASP   3  -7.731   9.515   0.800
   22   1HB   ASP   3          HB2       ASP   3  -9.015  10.523  -0.990
   23   2HB   ASP   3          HB3       ASP   3  -8.474  11.796   0.100
   24    H    TRP   4           HN       TRP   4  -8.479   8.863  -1.692
   25    HA   TRP   4           HA       TRP   4  -6.944   6.624  -2.177
   26   1HB   TRP   4          HB2       TRP   4  -9.285   6.784  -2.776
   27   2HB   TRP   4          HB3       TRP   4  -8.931   8.035  -3.959
   28    HD1  TRP   4           HD1      TRP   4  -8.944   7.157  -6.339
   29    HE1  TRP   4           HE1      TRP   4  -8.458   4.911  -7.501
   30    HE3  TRP   4           HE3      TRP   4  -7.584   4.418  -2.247
   31    HZ2  TRP   4           HZ2      TRP   4  -7.615   2.321  -6.764
   32    HZ3  TRP   4           HZ3      TRP   4  -6.958   2.060  -2.558
   33    HH2  TRP   4           HH2      TRP   4  -6.965   1.037  -4.774
   34    H    LEU   5           HN       LEU   5  -6.782   9.790  -3.793
   35    HA   LEU   5           HA       LEU   5  -5.238   8.926  -5.994
   36   1HB   LEU   5          HB2       LEU   5  -5.666  11.589  -4.685
   37   2HB   LEU   5          HB3       LEU   5  -4.517  11.416  -5.998
   38    HG   LEU   5           HG       LEU   5  -6.659  12.240  -6.807
   39   1HD1  LEU   5          HD11      LEU   5  -7.024  10.621  -8.594
   40   2HD1  LEU   5          HD12      LEU   5  -5.303  10.857  -8.286
   41   3HD1  LEU   5          HD13      LEU   5  -6.115   9.411  -7.686
   42   1HD2  LEU   5          HD21      LEU   5  -7.806   9.648  -5.789
   43   2HD2  LEU   5          HD22      LEU   5  -8.131  11.254  -5.138
   44   3HD2  LEU   5          HD23      LEU   5  -8.659  10.840  -6.770
   45    H    THR   6           HN       THR   6  -4.253  10.388  -2.910
   46    HA   THR   6           HA       THR   6  -1.458  10.145  -3.454
   47    HB   THR   6           HB       THR   6  -2.829  10.471  -0.770
   48    HG1  THR   6           HG1      THR   6  -3.053  12.547  -1.247
   49   1HG2  THR   6          HG21      THR   6  -0.480   9.844  -0.578
   50   2HG2  THR   6          HG22      THR   6  -0.709  11.527  -0.097
   51   3HG2  THR   6          HG23      THR   6  -0.027  11.147  -1.678
   52    H    PHE   7           HN       PHE   7  -3.888   8.214  -1.853
   53    HA   PHE   7           HA       PHE   7  -2.291   6.291  -0.603
   54   1HB   PHE   7          HB2       PHE   7  -4.763   6.610  -0.325
   55   2HB   PHE   7          HB3       PHE   7  -5.000   5.891  -1.911
   56    HD1  PHE   7           HD1      PHE   7  -4.641   5.310   1.577
   57    HD2  PHE   7           HD2      PHE   7  -4.245   3.474  -2.245
   58    HE1  PHE   7           HE1      PHE   7  -4.760   3.087   2.632
   59    HE2  PHE   7           HE2      PHE   7  -4.366   1.252  -1.194
   60    HZ   PHE   7           HZ       PHE   7  -4.626   1.057   1.245
   61    H    GLN   8           HN       GLN   8  -3.557   6.465  -3.904
   62    HA   GLN   8           HA       GLN   8  -2.860   3.933  -4.796
   63   1HB   GLN   8          HB2       GLN   8  -3.340   6.559  -6.087
   64   2HB   GLN   8          HB3       GLN   8  -2.578   5.305  -7.043
   65   1HG   GLN   8          HG2       GLN   8  -4.480   3.808  -6.470
   66   2HG   GLN   8          HG3       GLN   8  -5.259   5.192  -5.697
   67   1HE2  GLN   8          HE21      GLN   8  -5.968   6.917  -6.990
   68   2HE2  GLN   8          HE22      GLN   8  -6.204   6.742  -8.695
   69    H    LYS   9           HN       LYS   9  -1.047   6.938  -5.492
   70    HA   LYS   9           HA       LYS   9   1.034   5.707  -6.816
   71   1HB   LYS   9          HB2       LYS   9   1.523   8.150  -5.168
   72   2HB   LYS   9          HB3       LYS   9   2.101   7.764  -6.787
   73   1HG   LYS   9          HG2       LYS   9  -0.317   7.892  -7.522
   74   2HG   LYS   9          HG3       LYS   9  -0.638   8.606  -5.948
   75   1HD   LYS   9          HD2       LYS   9   1.221   9.676  -8.037
   76   2HD   LYS   9          HD3       LYS   9  -0.369  10.303  -7.619
   77   1HE   LYS   9          HE2       LYS   9   0.396  10.900  -5.412
   78   2HE   LYS   9          HE3       LYS   9   1.970  10.170  -5.726
   79   1HZ   LYS   9          HZ1       LYS   9   1.997  12.590  -5.962
   80   2HZ   LYS   9          HZ2       LYS   9   0.846  12.493  -7.202
   81   3HZ   LYS   9          HZ3       LYS   9   2.385  11.816  -7.420
   82    H    LYS  10           HN       LYS  10   0.511   6.039  -3.420
   83    HA   LYS  10           HA       LYS  10   3.275   5.357  -2.791
   84   1HB   LYS  10          HB2       LYS  10   0.979   6.230  -1.039
   85   2HB   LYS  10          HB3       LYS  10   2.581   5.841  -0.435
   86   1HG   LYS  10          HG2       LYS  10   3.492   7.604  -1.962
   87   2HG   LYS  10          HG3       LYS  10   1.828   8.065  -2.317
   88   1HD   LYS  10          HD2       LYS  10   2.660   9.543  -0.632
   89   2HD   LYS  10          HD3       LYS  10   1.502   8.456   0.133
   90   1HE   LYS  10          HE2       LYS  10   3.235   7.167   1.119
   91   2HE   LYS  10          HE3       LYS  10   4.470   7.966   0.149
   92   1HZ   LYS  10          HZ1       LYS  10   2.794   9.405   2.130
   93   2HZ   LYS  10          HZ2       LYS  10   4.201   9.959   1.364
   94   3HZ   LYS  10          HZ3       LYS  10   4.296   8.718   2.514
   95    H    HIS  11           HN       HIS  11   0.430   3.599  -3.283
   96    HA   HIS  11           HA       HIS  11   1.554   1.412  -1.674
   97   1HB   HIS  11          HB2       HIS  11  -1.306   2.346  -1.530
   98   2HB   HIS  11          HB3       HIS  11  -0.774   0.772  -0.951
   99    HD1  HIS  11           HD1      HIS  11   1.169   0.909   0.984
  100    HD2  HIS  11           HD2      HIS  11  -1.099   4.332   0.296
  101    HE1  HIS  11           HE1      HIS  11   1.479   2.355   3.021
  102    HE2  HIS  11           HE2      HIS  11  -0.044   4.333   2.659
  103    H    ILE  12           HN       ILE  12   0.075   2.369  -4.594
  104    HA   ILE  12           HA       ILE  12  -0.785  -0.376  -5.157
  105    HB   ILE  12           HB       ILE  12  -1.334   2.166  -6.711
  106   1HG1  ILE  12          HG12      ILE  12  -2.509   2.127  -4.582
  107   2HG1  ILE  12          HG13      ILE  12  -3.646   1.889  -5.900
  108   1HG2  ILE  12          HG21      ILE  12  -2.924   0.830  -7.995
  109   2HG2  ILE  12          HG22      ILE  12  -1.279   0.216  -8.171
  110   3HG2  ILE  12          HG23      ILE  12  -2.423  -0.614  -7.117
  111   1HD1  ILE  12          HD11      ILE  12  -4.173   0.439  -4.046
  112   2HD1  ILE  12          HD12      ILE  12  -3.651  -0.517  -5.433
  113   3HD1  ILE  12          HD13      ILE  12  -2.547  -0.244  -4.086
  114    H    THR  13           HN       THR  13   0.868  -1.572  -5.873
  115    HA   THR  13           HA       THR  13   2.463  -0.452  -8.079
  116    HB   THR  13           HB       THR  13   3.874  -0.956  -6.099
  117    HG1  THR  13           HG1      THR  13   5.244  -2.574  -7.364
  118   1HG2  THR  13          HG21      THR  13   2.689  -2.817  -5.123
  119   2HG2  THR  13          HG22      THR  13   4.328  -3.326  -5.547
  120   3HG2  THR  13          HG23      THR  13   2.965  -3.792  -6.570
  121    H    ASN  14           HN       ASN  14   2.863  -1.790  -9.868
  122    HA   ASN  14           HA       ASN  14   0.895  -3.961 -10.124
  123   1HB   ASN  14          HB2       ASN  14   0.889  -3.510 -12.525
  124   2HB   ASN  14          HB3       ASN  14   0.516  -2.045 -11.625
  125   1HD2  ASN  14          HD21      ASN  14   2.064  -0.382 -11.522
  126   2HD2  ASN  14          HD22      ASN  14   3.351  -0.287 -12.684
  127    H    THR  15           HN       THR  15   3.809  -3.847  -9.200
  128    HA   THR  15           HA       THR  15   4.549  -6.292 -10.610
  129    HB   THR  15           HB       THR  15   5.875  -4.552 -11.696
  130    HG1  THR  15           HG1      THR  15   7.764  -5.636 -11.538
  131   1HG2  THR  15          HG21      THR  15   6.921  -3.927  -8.932
  132   2HG2  THR  15          HG22      THR  15   5.904  -2.880  -9.922
  133   3HG2  THR  15          HG23      THR  15   7.548  -3.260 -10.440
  134    H    ARG  16           HN       ARG  16   5.503  -7.823  -9.326
  135    HA   ARG  16           HA       ARG  16   5.171  -7.614  -6.513
  136   1HB   ARG  16          HB2       ARG  16   6.531  -9.650  -8.273
  137   2HB   ARG  16          HB3       ARG  16   6.493  -9.809  -6.523
  138   1HG   ARG  16          HG2       ARG  16   4.028  -9.551  -8.225
  139   2HG   ARG  16          HG3       ARG  16   4.738 -11.094  -7.743
  140   1HD   ARG  16          HD2       ARG  16   3.978  -8.981  -5.748
  141   2HD   ARG  16          HD3       ARG  16   2.828 -10.187  -6.319
  142    HE   ARG  16           HE       ARG  16   4.722 -11.801  -5.507
  143   1HH1  ARG  16          HH12      ARG  16   3.791  -8.797  -3.976
  144   2HH1  ARG  16          HH11      ARG  16   4.028  -9.386  -2.363
  145   1HH2  ARG  16          HH22      ARG  16   5.000 -12.616  -3.382
  146   2HH2  ARG  16          HH21      ARG  16   4.697 -11.570  -2.027
  147    H    ASP  17           HN       ASP  17   7.729  -6.779  -8.630
  148    HA   ASP  17           HA       ASP  17   9.621  -6.666  -6.375
  149   1HB   ASP  17          HB2       ASP  17  10.063  -8.004  -8.625
  150   2HB   ASP  17          HB3       ASP  17  10.529  -6.413  -9.215
  151    H    VAL  18           HN       VAL  18   8.632  -4.657  -5.703
  152    HA   VAL  18           HA       VAL  18   8.938  -2.363  -7.423
  153    HB   VAL  18           HB       VAL  18   7.081  -2.146  -6.001
  154   1HG1  VAL  18          HG11      VAL  18   8.870  -2.868  -3.688
  155   2HG1  VAL  18          HG12      VAL  18   7.214  -2.276  -3.534
  156   3HG1  VAL  18          HG13      VAL  18   7.529  -3.817  -4.335
  157   1HG2  VAL  18          HG21      VAL  18   7.673  -0.238  -4.496
  158   2HG2  VAL  18          HG22      VAL  18   9.366  -0.535  -4.900
  159   3HG2  VAL  18          HG23      VAL  18   8.224  -0.071  -6.165
  160    H    ASP  19           HN       ASP  19  10.766  -1.225  -7.649
  161    HA   ASP  19           HA       ASP  19  13.060  -1.915  -6.078
  162   1HB   ASP  19          HB2       ASP  19  13.282  -1.383  -8.478
  163   2HB   ASP  19          HB3       ASP  19  12.776   0.272  -8.147
  164    H    CYS  20           HN       CYS  20  12.500  -1.365  -4.021
  165    HA   CYS  20           HA       CYS  20  11.500   0.989  -3.033
  166   1HB   CYS  20          HB2       CYS  20  13.667  -0.499  -1.584
  167   2HB   CYS  20          HB3       CYS  20  12.223   0.273  -0.934
  168    H    ASP  21           HN       ASP  21  14.884   0.177  -3.634
  169    HA   ASP  21           HA       ASP  21  16.275   2.212  -2.530
  170   1HB   ASP  21          HB2       ASP  21  16.684   0.831  -5.165
  171   2HB   ASP  21          HB3       ASP  21  17.807   2.059  -4.596
  172    H    ASN  22           HN       ASN  22  14.922   2.416  -5.833
  173    HA   ASN  22           HA       ASN  22  15.645   5.227  -5.948
  174   1HB   ASN  22          HB2       ASN  22  15.934   3.750  -7.905
  175   2HB   ASN  22          HB3       ASN  22  14.203   3.494  -7.957
  176   1HD2  ASN  22          HD21      ASN  22  14.084   4.300 -10.040
  177   2HD2  ASN  22          HD22      ASN  22  14.215   5.993 -10.380
  178    H    ILE  23           HN       ILE  23  12.705   3.294  -6.065
  179    HA   ILE  23           HA       ILE  23  10.918   5.389  -6.503
  180    HB   ILE  23           HB       ILE  23  10.464   2.732  -5.147
  181   1HG1  ILE  23          HG12      ILE  23   9.904   3.745  -7.948
  182   2HG1  ILE  23          HG13      ILE  23  11.188   2.630  -7.491
  183   1HG2  ILE  23          HG21      ILE  23   8.070   3.093  -5.514
  184   2HG2  ILE  23          HG22      ILE  23   8.740   4.323  -4.437
  185   3HG2  ILE  23          HG23      ILE  23   8.405   4.715  -6.125
  186   1HD1  ILE  23          HD11      ILE  23   9.342   1.456  -8.518
  187   2HD1  ILE  23          HD12      ILE  23   9.507   0.986  -6.827
  188   3HD1  ILE  23          HD13      ILE  23   8.233   2.103  -7.308
  189    H    LEU  24           HN       LEU  24  12.171   4.126  -3.418
  190    HA   LEU  24           HA       LEU  24  10.289   5.746  -1.938
  191   1HB   LEU  24          HB2       LEU  24  12.612   4.153  -0.879
  192   2HB   LEU  24          HB3       LEU  24  11.304   4.836   0.063
  193    HG   LEU  24           HG       LEU  24  11.162   2.542  -1.874
  194   1HD1  LEU  24          HD11      LEU  24  10.595   2.783   1.067
  195   2HD1  LEU  24          HD12      LEU  24  10.380   1.330   0.093
  196   3HD1  LEU  24          HD13      LEU  24  11.992   1.998   0.330
  197   1HD2  LEU  24          HD21      LEU  24   8.791   2.398  -1.292
  198   2HD2  LEU  24          HD22      LEU  24   8.913   3.953  -0.469
  199   3HD2  LEU  24          HD23      LEU  24   9.177   3.856  -2.211
  200    H    SER  25           HN       SER  25  13.299   6.348  -3.328
  201    HA   SER  25           HA       SER  25  14.093   8.221  -1.242
  202   1HB   SER  25          HB2       SER  25  16.075   8.606  -2.830
  203   2HB   SER  25          HB3       SER  25  15.952   7.033  -2.043
  204    HG   SER  25           HG       SER  25  15.544   6.107  -3.906
  205    H    THR  26           HN       THR  26  11.919   8.316  -3.592
  206    HA   THR  26           HA       THR  26  12.418  10.946  -4.644
  207    HB   THR  26           HB       THR  26  10.080  10.811  -5.471
  208    HG1  THR  26           HG1      THR  26   9.926   8.139  -4.570
  209   1HG2  THR  26          HG21      THR  26  11.727   8.336  -5.997
  210   2HG2  THR  26          HG22      THR  26  11.888   9.885  -6.824
  211   3HG2  THR  26          HG23      THR  26  10.415   8.932  -7.013
  212    H    ASN  27           HN       ASN  27  10.570  12.639  -4.276
  213    HA   ASN  27           HA       ASN  27  10.611  13.272  -1.483
  214   1HB   ASN  27          HB2       ASN  27  10.716  14.982  -3.288
  215   2HB   ASN  27          HB3       ASN  27   9.053  14.601  -3.716
  216   1HD2  ASN  27          HD21      ASN  27   8.338  16.666  -3.291
  217   2HD2  ASN  27          HD22      ASN  27   8.206  17.291  -1.685
  218    H    LEU  28           HN       LEU  28   8.638  11.366  -3.378
  219    HA   LEU  28           HA       LEU  28   6.099  11.828  -2.172
  220   1HB   LEU  28          HB2       LEU  28   6.424  10.819  -4.413
  221   2HB   LEU  28          HB3       LEU  28   7.121   9.401  -3.657
  222    HG   LEU  28           HG       LEU  28   4.933   9.006  -2.515
  223   1HD1  LEU  28          HD11      LEU  28   4.042  11.253  -2.558
  224   2HD1  LEU  28          HD12      LEU  28   4.019  11.239  -4.322
  225   3HD1  LEU  28          HD13      LEU  28   2.954  10.161  -3.419
  226   1HD2  LEU  28          HD21      LEU  28   3.807   8.156  -4.519
  227   2HD2  LEU  28          HD22      LEU  28   4.883   9.120  -5.529
  228   3HD2  LEU  28          HD23      LEU  28   5.536   7.810  -4.547
  229    H    PHE  29           HN       PHE  29   8.862   9.857  -1.406
  230    HA   PHE  29           HA       PHE  29   7.407   8.779   0.920
  231   1HB   PHE  29          HB2       PHE  29   9.695   7.467  -0.560
  232   2HB   PHE  29          HB3       PHE  29   8.870   6.815   0.851
  233    HD1  PHE  29           HD1      PHE  29   8.847   7.152  -2.723
  234    HD2  PHE  29           HD2      PHE  29   6.469   6.145   0.655
  235    HE1  PHE  29           HE1      PHE  29   7.240   6.030  -4.200
  236    HE2  PHE  29           HE2      PHE  29   4.852   5.018  -0.817
  237    HZ   PHE  29           HZ       PHE  29   5.235   4.960  -3.248
  238    H    HIS  30           HN       HIS  30  10.447   9.997  -0.344
  239    HA   HIS  30           HA       HIS  30  12.220  11.041   0.585
  240   1HB   HIS  30          HB2       HIS  30  10.204  12.374   1.542
  241   2HB   HIS  30          HB3       HIS  30  10.608  11.583   3.062
  242    HD1  HIS  30           HD1      HIS  30  11.981  13.078   4.476
  243    HD2  HIS  30           HD2      HIS  30  12.823  13.552   0.429
  244    HE1  HIS  30           HE1      HIS  30  13.787  14.831   4.358
  245    HE2  HIS  30           HE2      HIS  30  14.449  14.905   1.925
  246    H    CYS  31           HN       CYS  31  11.839   8.228   1.033
  247    HA   CYS  31           HA       CYS  31  12.518   6.464   2.245
  248   1HB   CYS  31          HB2       CYS  31  14.757   8.422   2.487
  249   2HB   CYS  31          HB3       CYS  31  14.863   6.878   3.333
  250    H    LYS  32           HN       LYS  32  10.560   7.148   3.638
  251    HA   LYS  32           HA       LYS  32  11.142   7.514   6.406
  252   1HB   LYS  32          HB2       LYS  32   8.853   7.029   6.799
  253   2HB   LYS  32          HB3       LYS  32   8.921   7.967   5.320
  254   1HG   LYS  32          HG2       LYS  32   8.786   4.976   5.251
  255   2HG   LYS  32          HG3       LYS  32   7.340   5.953   5.445
  256   1HD   LYS  32          HD2       LYS  32   7.324   5.731   3.182
  257   2HD   LYS  32          HD3       LYS  32   8.320   7.179   3.310
  258   1HE   LYS  32          HE2       LYS  32   9.160   5.368   1.751
  259   2HE   LYS  32          HE3       LYS  32  10.310   5.969   2.945
  260   1HZ   LYS  32          HZ1       LYS  32  10.214   3.495   2.657
  261   2HZ   LYS  32          HZ2       LYS  32   8.681   3.535   3.380
  262   3HZ   LYS  32          HZ3       LYS  32  10.043   4.048   4.246
  263    H    ASP  33           HN       ASP  33  10.200   5.622   7.909
  264    HA   ASP  33           HA       ASP  33  12.190   3.710   8.004
  265   1HB   ASP  33          HB2       ASP  33  10.813   4.302   9.929
  266   2HB   ASP  33          HB3       ASP  33   9.410   3.550   9.181
  267    H    LYS  34           HN       LYS  34   8.828   3.186   6.845
  268    HA   LYS  34           HA       LYS  34   9.866   1.267   4.931
  269   1HB   LYS  34          HB2       LYS  34   8.496  -0.608   5.594
  270   2HB   LYS  34          HB3       LYS  34   9.554  -0.148   6.916
  271   1HG   LYS  34          HG2       LYS  34   6.976   1.163   7.089
  272   2HG   LYS  34          HG3       LYS  34   6.836  -0.596   7.059
  273   1HD   LYS  34          HD2       LYS  34   8.494   1.064   8.952
  274   2HD   LYS  34          HD3       LYS  34   7.048   0.128   9.343
  275   1HE   LYS  34          HE2       LYS  34   8.192  -1.936   8.849
  276   2HE   LYS  34          HE3       LYS  34   9.610  -1.056   8.278
  277   1HZ   LYS  34          HZ1       LYS  34   8.582  -1.227  11.052
  278   2HZ   LYS  34          HZ2       LYS  34   9.773  -0.118  10.569
  279   3HZ   LYS  34          HZ3       LYS  34  10.071  -1.781  10.456
  280    H    ASN  35           HN       ASN  35   7.907   0.199   3.744
  281    HA   ASN  35           HA       ASN  35   5.500   1.758   3.628
  282   1HB   ASN  35          HB2       ASN  35   7.189   3.124   2.287
  283   2HB   ASN  35          HB3       ASN  35   7.227   1.787   1.149
  284   1HD2  ASN  35          HD21      ASN  35   5.452   1.384  -0.135
  285   2HD2  ASN  35          HD22      ASN  35   4.170   2.532  -0.336
  286    H    THR  36           HN       THR  36   4.041   0.193   3.404
  287    HA   THR  36           HA       THR  36   4.739  -2.290   2.079
  288    HB   THR  36           HB       THR  36   2.054  -1.576   3.257
  289    HG1  THR  36           HG1      THR  36   4.465  -2.414   4.543
  290   1HG2  THR  36          HG21      THR  36   2.135  -3.635   1.947
  291   2HG2  THR  36          HG22      THR  36   1.935  -4.003   3.660
  292   3HG2  THR  36          HG23      THR  36   3.511  -4.201   2.895
  293    H    PHE  37           HN       PHE  37   4.552  -2.420  -0.070
  294    HA   PHE  37           HA       PHE  37   2.468  -0.899  -1.450
  295   1HB   PHE  37          HB2       PHE  37   4.699  -2.624  -2.551
  296   2HB   PHE  37          HB3       PHE  37   3.553  -1.716  -3.525
  297    HD1  PHE  37           HD1      PHE  37   6.393  -1.471  -1.219
  298    HD2  PHE  37           HD2      PHE  37   3.825   0.639  -3.885
  299    HE1  PHE  37           HE1      PHE  37   7.937   0.438  -1.196
  300    HE2  PHE  37           HE2      PHE  37   5.372   2.539  -3.867
  301    HZ   PHE  37           HZ       PHE  37   7.429   2.429  -2.535
  302    H    ILE  38           HN       ILE  38   0.962  -1.883  -2.787
  303    HA   ILE  38           HA       ILE  38   0.370  -4.693  -2.131
  304    HB   ILE  38           HB       ILE  38  -1.529  -2.540  -3.092
  305   1HG1  ILE  38          HG12      ILE  38  -1.344  -3.673  -0.299
  306   2HG1  ILE  38          HG13      ILE  38  -0.504  -2.203  -0.780
  307   1HG2  ILE  38          HG21      ILE  38  -2.067  -5.290  -1.968
  308   2HG2  ILE  38          HG22      ILE  38  -3.285  -4.108  -2.447
  309   3HG2  ILE  38          HG23      ILE  38  -2.220  -4.818  -3.660
  310   1HD1  ILE  38          HD11      ILE  38  -3.480  -2.634  -0.864
  311   2HD1  ILE  38          HD12      ILE  38  -2.595  -1.720   0.358
  312   3HD1  ILE  38          HD13      ILE  38  -2.630  -1.153  -1.311
  313    H    TYR  39           HN       TYR  39   0.818  -6.045  -3.773
  314    HA   TYR  39           HA       TYR  39   0.977  -5.088  -6.488
  315   1HB   TYR  39          HB2       TYR  39   2.547  -6.805  -5.855
  316   2HB   TYR  39          HB3       TYR  39   1.248  -7.861  -5.311
  317    HD1  TYR  39           HD1      TYR  39   2.452  -6.117  -8.387
  318    HD2  TYR  39           HD2      TYR  39   0.453  -9.493  -6.750
  319    HE1  TYR  39           HE1      TYR  39   2.341  -7.131 -10.624
  320    HE2  TYR  39           HE2      TYR  39   0.339 -10.516  -8.980
  321    HH   TYR  39           HH       TYR  39   0.377  -9.790 -11.347
  322    H    SER  40           HN       SER  40  -1.007  -4.381  -6.986
  323    HA   SER  40           HA       SER  40  -2.811  -6.162  -8.151
  324   1HB   SER  40          HB2       SER  40  -3.344  -6.556  -5.675
  325   2HB   SER  40          HB3       SER  40  -3.925  -4.895  -5.633
  326    HG   SER  40           HG       SER  40  -4.954  -7.105  -7.062
  327    H    ARG  41           HN       ARG  41  -4.572  -4.940  -9.163
  328    HA   ARG  41           HA       ARG  41  -3.683  -2.324  -9.882
  329   1HB   ARG  41          HB2       ARG  41  -6.338  -3.605 -10.533
  330   2HB   ARG  41          HB3       ARG  41  -5.576  -2.262 -11.371
  331   1HG   ARG  41          HG2       ARG  41  -3.657  -4.042 -11.726
  332   2HG   ARG  41          HG3       ARG  41  -5.006  -5.164 -11.514
  333   1HD   ARG  41          HD2       ARG  41  -5.302  -4.837 -13.714
  334   2HD   ARG  41          HD3       ARG  41  -6.110  -3.367 -13.191
  335    HE   ARG  41           HE       ARG  41  -3.378  -3.559 -14.257
  336   1HH1  ARG  41          HH12      ARG  41  -6.027  -1.521 -13.148
  337   2HH1  ARG  41          HH11      ARG  41  -5.432  -0.120 -13.978
  338   1HH2  ARG  41          HH22      ARG  41  -2.603  -1.707 -15.297
  339   2HH2  ARG  41          HH21      ARG  41  -3.489  -0.214 -15.186
  340    HA   PRO  42           HA       PRO  42  -5.845   0.207  -7.017
  341   1HB   PRO  42          HB2       PRO  42  -6.932   2.122  -8.677
  342   2HB   PRO  42          HB3       PRO  42  -5.258   2.117  -8.113
  343   1HG   PRO  42          HG2       PRO  42  -6.381   1.196 -10.720
  344   2HG   PRO  42          HG3       PRO  42  -4.879   2.072 -10.396
  345   1HD   PRO  42          HD2       PRO  42  -4.909  -0.565 -10.911
  346   2HD   PRO  42          HD3       PRO  42  -3.748   0.153  -9.777
  347    H    GLU  43           HN       GLU  43  -7.610  -1.009  -9.830
  348    HA   GLU  43           HA       GLU  43 -10.164  -0.155  -8.955
  349   1HB   GLU  43          HB2       GLU  43  -9.394  -2.384 -10.835
  350   2HB   GLU  43          HB3       GLU  43 -11.016  -1.772 -10.619
  351   1HG   GLU  43          HG2       GLU  43 -10.554  -0.430 -12.332
  352   2HG   GLU  43          HG3       GLU  43  -9.614   0.504 -11.168
  353    HA   PRO  44           HA       PRO  44 -10.798  -4.702  -7.336
  354   1HB   PRO  44          HB2       PRO  44  -8.495  -6.127  -6.893
  355   2HB   PRO  44          HB3       PRO  44  -9.474  -6.255  -8.356
  356   1HG   PRO  44          HG2       PRO  44  -6.981  -4.670  -7.874
  357   2HG   PRO  44          HG3       PRO  44  -7.440  -5.637  -9.290
  358   1HD   PRO  44          HD2       PRO  44  -7.676  -2.961  -9.290
  359   2HD   PRO  44          HD3       PRO  44  -8.851  -3.991 -10.104
  360    H    VAL  45           HN       VAL  45  -8.184  -2.626  -6.368
  361    HA   VAL  45           HA       VAL  45  -8.335  -3.488  -3.592
  362    HB   VAL  45           HB       VAL  45  -6.739  -1.247  -4.860
  363   1HG1  VAL  45          HG11      VAL  45  -6.578  -2.356  -2.056
  364   2HG1  VAL  45          HG12      VAL  45  -5.525  -1.123  -2.750
  365   3HG1  VAL  45          HG13      VAL  45  -7.238  -0.782  -2.503
  366   1HG2  VAL  45          HG21      VAL  45  -4.817  -2.729  -4.492
  367   2HG2  VAL  45          HG22      VAL  45  -5.906  -3.982  -3.895
  368   3HG2  VAL  45          HG23      VAL  45  -6.007  -3.453  -5.574
  369    H    LYS  46           HN       LYS  46  -9.341  -0.808  -5.625
  370    HA   LYS  46           HA       LYS  46 -10.468   0.745  -3.512
  371   1HB   LYS  46          HB2       LYS  46  -9.819   1.606  -5.790
  372   2HB   LYS  46          HB3       LYS  46 -11.214   0.764  -6.443
  373   1HG   LYS  46          HG2       LYS  46 -12.705   2.136  -5.119
  374   2HG   LYS  46          HG3       LYS  46 -11.326   2.941  -4.367
  375   1HD   LYS  46          HD2       LYS  46 -10.656   3.864  -6.486
  376   2HD   LYS  46          HD3       LYS  46 -11.912   2.949  -7.324
  377   1HE   LYS  46          HE2       LYS  46 -12.335   5.138  -5.296
  378   2HE   LYS  46          HE3       LYS  46 -12.599   5.249  -7.034
  379   1HZ   LYS  46          HZ1       LYS  46 -14.261   3.425  -6.762
  380   2HZ   LYS  46          HZ2       LYS  46 -14.693   4.896  -6.036
  381   3HZ   LYS  46          HZ3       LYS  46 -14.116   3.618  -5.081
  382    H    ALA  47           HN       ALA  47 -11.507  -1.930  -5.450
  383    HA   ALA  47           HA       ALA  47 -14.293  -1.752  -5.013
  384   1HB   ALA  47          HB1       ALA  47 -13.277  -3.116  -6.791
  385   2HB   ALA  47          HB2       ALA  47 -12.649  -4.218  -5.566
  386   3HB   ALA  47          HB3       ALA  47 -14.391  -4.043  -5.786
  387    H    ILE  48           HN       ILE  48 -11.696  -2.751  -2.993
  388    HA   ILE  48           HA       ILE  48 -13.091  -4.425  -1.198
  389    HB   ILE  48           HB       ILE  48 -10.787  -2.562  -0.571
  390   1HG1  ILE  48          HG12      ILE  48 -10.703  -5.472  -1.407
  391   2HG1  ILE  48          HG13      ILE  48 -10.375  -4.122  -2.488
  392   1HG2  ILE  48          HG21      ILE  48 -11.739  -5.063   0.827
  393   2HG2  ILE  48          HG22      ILE  48 -10.302  -4.130   1.247
  394   3HG2  ILE  48          HG23      ILE  48 -11.905  -3.412   1.426
  395   1HD1  ILE  48          HD11      ILE  48  -8.817  -4.828  -0.019
  396   2HD1  ILE  48          HD12      ILE  48  -8.327  -5.132  -1.685
  397   3HD1  ILE  48          HD13      ILE  48  -8.483  -3.475  -1.100
  398    H    CYS  49           HN       CYS  49 -12.916  -0.993  -1.654
  399    HA   CYS  49           HA       CYS  49 -14.415  -0.489   0.807
  400   1HB   CYS  49          HB2       CYS  49 -12.942   1.348  -1.086
  401   2HB   CYS  49          HB3       CYS  49 -13.828   1.894   0.334
  402    H    LYS  50           HN       LYS  50 -15.322  -1.496  -1.999
  403    HA   LYS  50           HA       LYS  50 -17.017   0.453  -3.108
  404   1HB   LYS  50          HB2       LYS  50 -16.386  -1.574  -4.326
  405   2HB   LYS  50          HB3       LYS  50 -17.281  -2.559  -3.176
  406   1HG   LYS  50          HG2       LYS  50 -19.359  -1.473  -3.862
  407   2HG   LYS  50          HG3       LYS  50 -18.462  -0.492  -5.023
  408   1HD   LYS  50          HD2       LYS  50 -19.520  -2.379  -6.132
  409   2HD   LYS  50          HD3       LYS  50 -17.763  -2.537  -6.186
  410   1HE   LYS  50          HE2       LYS  50 -17.785  -4.165  -4.442
  411   2HE   LYS  50          HE3       LYS  50 -19.496  -3.882  -4.122
  412   1HZ   LYS  50          HZ1       LYS  50 -18.464  -4.922  -6.705
  413   2HZ   LYS  50          HZ2       LYS  50 -20.078  -4.853  -6.191
  414   3HZ   LYS  50          HZ3       LYS  50 -18.993  -5.919  -5.441
  415    H    GLY  51           HN       GLY  51 -18.655   1.418  -2.171
  416   1HA   GLY  51          HA1       GLY  51 -20.884   1.387  -1.393
  417   2HA   GLY  51          HA2       GLY  51 -20.600  -0.206  -0.711
  418    H    ILE  52           HN       ILE  52 -17.950   1.503   0.144
  419    HA   ILE  52           HA       ILE  52 -19.134   2.117   2.758
  420    HB   ILE  52           HB       ILE  52 -16.186   2.006   2.139
  421   1HG1  ILE  52          HG12      ILE  52 -17.126  -0.158   1.512
  422   2HG1  ILE  52          HG13      ILE  52 -16.204  -0.311   3.001
  423   1HG2  ILE  52          HG21      ILE  52 -17.737   1.689   4.705
  424   2HG2  ILE  52          HG22      ILE  52 -15.982   1.617   4.541
  425   3HG2  ILE  52          HG23      ILE  52 -16.838   3.123   4.207
  426   1HD1  ILE  52          HD11      ILE  52 -18.250  -1.602   3.092
  427   2HD1  ILE  52          HD12      ILE  52 -18.279  -0.301   4.284
  428   3HD1  ILE  52          HD13      ILE  52 -19.198  -0.147   2.786
  429    H    ILE  53           HN       ILE  53 -19.982   4.136   2.432
  430    HA   ILE  53           HA       ILE  53 -18.440   6.213   1.167
  431    HB   ILE  53           HB       ILE  53 -21.179   6.098   2.396
  432   1HG1  ILE  53          HG12      ILE  53 -21.873   6.704   0.111
  433   2HG1  ILE  53          HG13      ILE  53 -20.195   6.722  -0.398
  434   1HG2  ILE  53          HG21      ILE  53 -20.285   8.261   3.012
  435   2HG2  ILE  53          HG22      ILE  53 -19.792   8.556   1.345
  436   3HG2  ILE  53          HG23      ILE  53 -21.504   8.446   1.750
  437   1HD1  ILE  53          HD11      ILE  53 -21.322   4.696  -1.107
  438   2HD1  ILE  53          HD12      ILE  53 -20.041   4.332   0.051
  439   3HD1  ILE  53          HD13      ILE  53 -21.729   4.323   0.569
  440    H    ALA  54           HN       ALA  54 -19.706   5.571   4.425
  441    HA   ALA  54           HA       ALA  54 -18.420   7.823   5.616
  442   1HB   ALA  54          HB1       ALA  54 -20.405   6.805   6.614
  443   2HB   ALA  54          HB2       ALA  54 -19.502   5.317   6.902
  444   3HB   ALA  54          HB3       ALA  54 -19.051   6.799   7.745
  445    H    SER  55           HN       SER  55 -16.469   7.978   6.599
  446    HA   SER  55           HA       SER  55 -14.327   6.365   5.958
  447   1HB   SER  55          HB2       SER  55 -14.707   8.702   7.407
  448   2HB   SER  55          HB3       SER  55 -14.031   7.586   8.594
  449    HG   SER  55           HG       SER  55 -12.883   8.718   6.333
  450    H    LYS  56           HN       LYS  56 -14.286   4.237   6.300
  451    HA   LYS  56           HA       LYS  56 -14.611   3.248   9.043
  452   1HB   LYS  56          HB2       LYS  56 -16.771   2.910   7.941
  453   2HB   LYS  56          HB3       LYS  56 -15.979   2.089   6.605
  454   1HG   LYS  56          HG2       LYS  56 -15.198   0.366   8.267
  455   2HG   LYS  56          HG3       LYS  56 -16.266   1.139   9.441
  456   1HD   LYS  56          HD2       LYS  56 -18.184   0.722   7.994
  457   2HD   LYS  56          HD3       LYS  56 -17.127  -0.013   6.788
  458   1HE   LYS  56          HE2       LYS  56 -16.480  -1.718   8.469
  459   2HE   LYS  56          HE3       LYS  56 -17.655  -1.017   9.582
  460   1HZ   LYS  56          HZ1       LYS  56 -18.215  -2.326   6.975
  461   2HZ   LYS  56          HZ2       LYS  56 -19.381  -1.488   7.874
  462   3HZ   LYS  56          HZ3       LYS  56 -18.652  -2.878   8.520
  463    H    ASN  57           HN       ASN  57 -12.957   1.995   9.582
  464    HA   ASN  57           HA       ASN  57 -11.096   1.076   7.600
  465   1HB   ASN  57          HB2       ASN  57  -9.937   0.010   9.590
  466   2HB   ASN  57          HB3       ASN  57 -10.064   1.770   9.600
  467   1HD2  ASN  57          HD21      ASN  57  -9.718  -0.221  11.732
  468   2HD2  ASN  57          HD22      ASN  57 -10.978   0.100  12.861
  469    H    VAL  58           HN       VAL  58 -11.259  -0.733   6.507
  470    HA   VAL  58           HA       VAL  58 -12.781  -2.944   7.722
  471    HB   VAL  58           HB       VAL  58 -13.637  -3.577   5.576
  472   1HG1  VAL  58          HG11      VAL  58 -14.944  -1.922   6.734
  473   2HG1  VAL  58          HG12      VAL  58 -13.993  -0.627   6.007
  474   3HG1  VAL  58          HG13      VAL  58 -15.024  -1.639   4.995
  475   1HG2  VAL  58          HG21      VAL  58 -11.744  -3.035   4.180
  476   2HG2  VAL  58          HG22      VAL  58 -13.208  -2.293   3.537
  477   3HG2  VAL  58          HG23      VAL  58 -12.037  -1.312   4.419
  478    H    LEU  59           HN       LEU  59 -11.939  -4.958   7.584
  479    HA   LEU  59           HA       LEU  59  -9.205  -5.201   6.583
  480   1HB   LEU  59          HB2       LEU  59  -9.858  -5.855   8.927
  481   2HB   LEU  59          HB3       LEU  59 -10.848  -7.114   8.241
  482    HG   LEU  59           HG       LEU  59  -8.535  -7.714   9.190
  483   1HD1  LEU  59          HD11      LEU  59  -8.216  -9.463   7.521
  484   2HD1  LEU  59          HD12      LEU  59  -9.907  -9.288   7.988
  485   3HD1  LEU  59          HD13      LEU  59  -9.344  -8.635   6.449
  486   1HD2  LEU  59          HD21      LEU  59  -6.704  -7.572   7.586
  487   2HD2  LEU  59          HD22      LEU  59  -7.727  -6.623   6.507
  488   3HD2  LEU  59          HD23      LEU  59  -7.268  -5.976   8.083
  489    H    THR  60           HN       THR  60  -8.672  -6.685   4.964
  490    HA   THR  60           HA       THR  60 -10.744  -7.054   3.047
  491    HB   THR  60           HB       THR  60  -8.957  -8.174   1.687
  492    HG1  THR  60           HG1      THR  60  -7.321  -8.905   2.799
  493   1HG2  THR  60          HG21      THR  60  -8.267  -5.494   2.886
  494   2HG2  THR  60          HG22      THR  60  -9.356  -5.774   1.527
  495   3HG2  THR  60          HG23      THR  60  -7.637  -6.135   1.369
  496    H    THR  61           HN       THR  61 -11.434  -8.956   2.065
  497    HA   THR  61           HA       THR  61 -12.065 -11.009   3.950
  498    HB   THR  61           HB       THR  61 -13.215 -11.993   1.876
  499    HG1  THR  61           HG1      THR  61 -12.736 -11.023   0.052
  500   1HG2  THR  61          HG21      THR  61 -13.910  -9.215   2.840
  501   2HG2  THR  61          HG22      THR  61 -14.421 -10.734   3.582
  502   3HG2  THR  61          HG23      THR  61 -15.013 -10.293   1.979
  503    H    SER  62           HN       SER  62  -9.605 -10.545   1.668
  504    HA   SER  62           HA       SER  62  -8.645 -13.265   2.069
  505   1HB   SER  62          HB2       SER  62  -8.839 -11.973  -0.664
  506   2HB   SER  62          HB3       SER  62  -8.118 -13.542  -0.310
  507    HG   SER  62           HG       SER  62 -10.546 -13.562   0.722
  508    H    GLU  63           HN       GLU  63  -6.338 -13.424   1.090
  509    HA   GLU  63           HA       GLU  63  -4.849 -11.109   2.029
  510   1HB   GLU  63          HB2       GLU  63  -3.767 -13.696   0.901
  511   2HB   GLU  63          HB3       GLU  63  -2.883 -12.484   1.808
  512   1HG   GLU  63          HG2       GLU  63  -4.044 -13.004   3.809
  513   2HG   GLU  63          HG3       GLU  63  -5.177 -14.042   2.949
  514    H    PHE  64           HN       PHE  64  -3.387  -9.954   0.777
  515    HA   PHE  64           HA       PHE  64  -3.614 -10.348  -2.132
  516   1HB   PHE  64          HB2       PHE  64  -3.362  -7.810  -0.532
  517   2HB   PHE  64          HB3       PHE  64  -2.993  -7.869  -2.249
  518    HD1  PHE  64           HD1      PHE  64  -4.700  -7.821  -3.861
  519    HD2  PHE  64           HD2      PHE  64  -5.681  -8.353   0.245
  520    HE1  PHE  64           HE1      PHE  64  -7.080  -7.487  -4.391
  521    HE2  PHE  64           HE2      PHE  64  -8.062  -8.024  -0.276
  522    HZ   PHE  64           HZ       PHE  64  -8.765  -7.590  -2.598
  523    H    TYR  65           HN       TYR  65  -1.665  -9.495  -3.299
  524    HA   TYR  65           HA       TYR  65   0.648 -10.712  -2.053
  525   1HB   TYR  65          HB2       TYR  65   0.381  -9.516  -4.822
  526   2HB   TYR  65          HB3       TYR  65   1.678 -10.563  -4.248
  527    HD1  TYR  65           HD1      TYR  65  -1.621 -10.427  -5.675
  528    HD2  TYR  65           HD2      TYR  65   1.134 -12.947  -3.641
  529    HE1  TYR  65           HE1      TYR  65  -2.910 -12.396  -6.385
  530    HE2  TYR  65           HE2      TYR  65  -0.143 -14.926  -4.344
  531    HH   TYR  65           HH       TYR  65  -2.602 -14.772  -6.730
  532    H    LEU  66           HN       LEU  66   1.663  -9.445  -0.653
  533    HA   LEU  66           HA       LEU  66   1.782  -6.573  -1.213
  534   1HB   LEU  66          HB2       LEU  66   2.335  -8.036   1.364
  535   2HB   LEU  66          HB3       LEU  66   2.240  -6.298   1.155
  536    HG   LEU  66           HG       LEU  66  -0.039  -8.236   0.799
  537   1HD1  LEU  66          HD11      LEU  66  -0.944  -7.164   2.816
  538   2HD1  LEU  66          HD12      LEU  66   0.579  -8.001   3.125
  539   3HD1  LEU  66          HD13      LEU  66   0.551  -6.244   2.976
  540   1HD2  LEU  66          HD21      LEU  66   0.020  -5.226   0.644
  541   2HD2  LEU  66          HD22      LEU  66  -0.269  -6.339  -0.693
  542   3HD2  LEU  66          HD23      LEU  66  -1.435  -6.223   0.624
  543    H    SER  67           HN       SER  67   3.664  -5.464  -1.263
  544    HA   SER  67           HA       SER  67   6.143  -6.966  -0.770
  545   1HB   SER  67          HB2       SER  67   5.759  -4.875  -2.933
  546   2HB   SER  67          HB3       SER  67   7.242  -5.759  -2.587
  547    HG   SER  67           HG       SER  67   6.443  -6.999  -4.117
  548    H    ASP  68           HN       ASP  68   6.957  -6.151   1.000
  549    HA   ASP  68           HA       ASP  68   6.335  -3.373   1.708
  550   1HB   ASP  68          HB2       ASP  68   5.632  -5.111   3.308
  551   2HB   ASP  68          HB3       ASP  68   7.300  -5.660   3.438
  552    H    CYS  69           HN       CYS  69   7.878  -1.937   1.414
  553    HA   CYS  69           HA       CYS  69  10.664  -2.810   1.371
  554   1HB   CYS  69          HB2       CYS  69   9.368  -0.148   0.753
  555   2HB   CYS  69          HB3       CYS  69  11.092  -0.464   0.625
  556    H    ASN  70           HN       ASN  70  11.745  -2.794   3.228
  557    HA   ASN  70           HA       ASN  70  11.072  -0.733   5.223
  558   1HB   ASN  70          HB2       ASN  70  11.664  -2.440   6.983
  559   2HB   ASN  70          HB3       ASN  70  10.180  -2.773   6.099
  560   1HD2  ASN  70          HD21      ASN  70  10.095  -4.490   4.688
  561   2HD2  ASN  70          HD22      ASN  70  11.294  -5.739   4.673
  562    H    VAL  71           HN       VAL  71  12.766   0.102   6.425
  563    HA   VAL  71           HA       VAL  71  15.198   0.277   4.962
  564    HB   VAL  71           HB       VAL  71  14.131   2.113   6.349
  565   1HG1  VAL  71          HG11      VAL  71  14.799   2.251   8.705
  566   2HG1  VAL  71          HG12      VAL  71  13.718   0.893   8.390
  567   3HG1  VAL  71          HG13      VAL  71  15.447   0.614   8.604
  568   1HG2  VAL  71          HG21      VAL  71  17.055   1.523   6.770
  569   2HG2  VAL  71          HG22      VAL  71  16.338   2.357   5.391
  570   3HG2  VAL  71          HG23      VAL  71  16.283   3.096   6.992
  571    H    THR  72           HN       THR  72  17.198  -0.449   5.422
  572    HA   THR  72           HA       THR  72  17.338  -2.829   7.082
  573    HB   THR  72           HB       THR  72  19.651  -3.010   6.077
  574    HG1  THR  72           HG1      THR  72  18.725  -0.872   4.419
  575   1HG2  THR  72          HG21      THR  72  18.859  -3.717   3.882
  576   2HG2  THR  72          HG22      THR  72  17.361  -2.817   4.119
  577   3HG2  THR  72          HG23      THR  72  17.725  -4.209   5.140
  578    H    SER  73           HN       SER  73  20.354  -2.129   7.190
  579    HA   SER  73           HA       SER  73  20.237  -0.787   9.762
  580   1HB   SER  73          HB2       SER  73  22.710  -1.295   9.785
  581   2HB   SER  73          HB3       SER  73  21.671  -2.714   9.660
  582    HG   SER  73           HG       SER  73  23.571  -2.503   8.166
  583    H    ARG  74           HN       ARG  74  20.583   0.017   6.539
  584    HA   ARG  74           HA       ARG  74  22.051   2.482   7.177
  585   1HB   ARG  74          HB2       ARG  74  21.910   0.881   4.626
  586   2HB   ARG  74          HB3       ARG  74  22.536   2.525   4.685
  587   1HG   ARG  74          HG2       ARG  74  24.333   1.909   6.056
  588   2HG   ARG  74          HG3       ARG  74  23.613   0.346   6.438
  589   1HD   ARG  74          HD2       ARG  74  25.379  -0.026   4.883
  590   2HD   ARG  74          HD3       ARG  74  23.855  -0.272   4.033
  591    HE   ARG  74           HE       ARG  74  24.634   2.384   3.639
  592   1HH1  ARG  74          HH12      ARG  74  25.714  -0.844   2.820
  593   2HH1  ARG  74          HH11      ARG  74  26.545  -0.346   1.378
  594   1HH2  ARG  74          HH22      ARG  74  25.753   3.039   1.720
  595   2HH2  ARG  74          HH21      ARG  74  26.560   1.836   0.757
  596    HA   PRO  75           HA       PRO  75  18.298   4.691   6.590
  597   1HB   PRO  75          HB2       PRO  75  20.101   6.882   5.737
  598   2HB   PRO  75          HB3       PRO  75  18.902   6.854   7.033
  599   1HG   PRO  75          HG2       PRO  75  21.530   6.772   7.552
  600   2HG   PRO  75          HG3       PRO  75  20.355   5.884   8.538
  601   1HD   PRO  75          HD2       PRO  75  22.236   4.869   6.456
  602   2HD   PRO  75          HD3       PRO  75  21.690   4.101   7.958
  603    H    CYS  76           HN       CYS  76  16.955   4.870   4.915
  604    HA   CYS  76           HA       CYS  76  16.118   5.216   2.834
  605   1HB   CYS  76          HB2       CYS  76  17.690   7.231   3.004
  606   2HB   CYS  76          HB3       CYS  76  18.802   6.314   2.001
  607    H    LYS  77           HN       LYS  77  18.374   2.998   3.564
  608    HA   LYS  77           HA       LYS  77  18.247   1.781   0.885
  609   1HB   LYS  77          HB2       LYS  77  20.534   1.892   1.639
  610   2HB   LYS  77          HB3       LYS  77  20.106   1.215   3.206
  611   1HG   LYS  77          HG2       LYS  77  21.213  -0.422   1.770
  612   2HG   LYS  77          HG3       LYS  77  19.566  -0.911   2.173
  613   1HD   LYS  77          HD2       LYS  77  18.874   0.114  -0.048
  614   2HD   LYS  77          HD3       LYS  77  20.594   0.204  -0.430
  615   1HE   LYS  77          HE2       LYS  77  20.780  -2.223  -0.101
  616   2HE   LYS  77          HE3       LYS  77  19.054  -2.299   0.247
  617   1HZ   LYS  77          HZ1       LYS  77  19.394  -2.916  -2.016
  618   2HZ   LYS  77          HZ2       LYS  77  20.329  -1.536  -2.321
  619   3HZ   LYS  77          HZ3       LYS  77  18.672  -1.380  -2.019
  620    H    TYR  78           HN       TYR  78  17.050  -0.028   0.609
  621    HA   TYR  78           HA       TYR  78  15.533  -0.846   2.989
  622   1HB   TYR  78          HB2       TYR  78  14.599  -0.403   0.160
  623   2HB   TYR  78          HB3       TYR  78  13.616  -1.174   1.406
  624    HD1  TYR  78           HD1      TYR  78  12.737   0.095   3.258
  625    HD2  TYR  78           HD2      TYR  78  15.077   1.973   0.245
  626    HE1  TYR  78           HE1      TYR  78  11.973   2.287   4.044
  627    HE2  TYR  78           HE2      TYR  78  14.319   4.177   1.026
  628    HH   TYR  78           HH       TYR  78  12.725   4.616   3.978
  629    H    LYS  79           HN       LYS  79  14.620  -2.865   3.062
  630    HA   LYS  79           HA       LYS  79  15.766  -4.925   1.293
  631   1HB   LYS  79          HB2       LYS  79  16.352  -5.310   3.615
  632   2HB   LYS  79          HB3       LYS  79  14.688  -5.065   4.124
  633   1HG   LYS  79          HG2       LYS  79  15.086  -7.389   4.200
  634   2HG   LYS  79          HG3       LYS  79  14.088  -7.099   2.774
  635   1HD   LYS  79          HD2       LYS  79  15.828  -8.671   2.215
  636   2HD   LYS  79          HD3       LYS  79  16.138  -7.147   1.384
  637   1HE   LYS  79          HE2       LYS  79  17.814  -6.546   3.000
  638   2HE   LYS  79          HE3       LYS  79  17.433  -7.962   3.981
  639   1HZ   LYS  79          HZ1       LYS  79  18.537  -8.029   1.222
  640   2HZ   LYS  79          HZ2       LYS  79  18.205  -9.378   2.193
  641   3HZ   LYS  79          HZ3       LYS  79  19.426  -8.293   2.642
  642    H    LEU  80           HN       LEU  80  14.341  -5.913  -0.052
  643    HA   LEU  80           HA       LEU  80  11.578  -5.111  -0.008
  644   1HB   LEU  80          HB2       LEU  80  13.364  -6.180  -1.924
  645   2HB   LEU  80          HB3       LEU  80  12.061  -7.327  -1.763
  646    HG   LEU  80           HG       LEU  80  11.705  -4.424  -2.393
  647   1HD1  LEU  80          HD11      LEU  80  11.519  -6.828  -4.194
  648   2HD1  LEU  80          HD12      LEU  80  11.176  -5.158  -4.649
  649   3HD1  LEU  80          HD13      LEU  80  12.816  -5.632  -4.205
  650   1HD2  LEU  80          HD21      LEU  80   9.736  -6.697  -2.401
  651   2HD2  LEU  80          HD22      LEU  80   9.795  -5.384  -1.226
  652   3HD2  LEU  80          HD23      LEU  80   9.402  -5.041  -2.911
  653    H    LYS  81           HN       LYS  81   9.849  -6.249   0.684
  654    HA   LYS  81           HA       LYS  81  10.310  -8.981   1.686
  655   1HB   LYS  81          HB2       LYS  81  10.210  -7.397   3.568
  656   2HB   LYS  81          HB3       LYS  81   8.665  -6.798   2.989
  657   1HG   LYS  81          HG2       LYS  81   7.549  -8.771   3.578
  658   2HG   LYS  81          HG3       LYS  81   9.054  -9.677   3.743
  659   1HD   LYS  81          HD2       LYS  81   8.157  -9.173   5.936
  660   2HD   LYS  81          HD3       LYS  81   9.655  -8.276   5.684
  661   1HE   LYS  81          HE2       LYS  81   8.264  -6.684   6.627
  662   2HE   LYS  81          HE3       LYS  81   8.096  -6.366   4.902
  663   1HZ   LYS  81          HZ1       LYS  81   6.194  -7.886   6.607
  664   2HZ   LYS  81          HZ2       LYS  81   6.042  -7.690   4.934
  665   3HZ   LYS  81          HZ3       LYS  81   5.948  -6.341   5.953
  666    H    LYS  82           HN       LYS  82   9.336 -10.118   0.144
  667    HA   LYS  82           HA       LYS  82   6.736  -9.282  -0.882
  668   1HB   LYS  82          HB2       LYS  82   8.541 -11.577  -1.675
  669   2HB   LYS  82          HB3       LYS  82   7.076 -11.085  -2.518
  670   1HG   LYS  82          HG2       LYS  82   8.046  -9.019  -3.176
  671   2HG   LYS  82          HG3       LYS  82   9.445  -9.273  -2.131
  672   1HD   LYS  82          HD2       LYS  82  10.132 -11.168  -3.490
  673   2HD   LYS  82          HD3       LYS  82   8.708 -10.968  -4.509
  674   1HE   LYS  82          HE2       LYS  82   9.495  -8.778  -5.213
  675   2HE   LYS  82          HE3       LYS  82  10.885  -8.916  -4.137
  676   1HZ   LYS  82          HZ1       LYS  82  11.460  -9.432  -6.428
  677   2HZ   LYS  82          HZ2       LYS  82  10.319 -10.692  -6.450
  678   3HZ   LYS  82          HZ3       LYS  82  11.669 -10.790  -5.430
  679    H    SER  83           HN       SER  83   4.929 -10.034  -0.036
  680    HA   SER  83           HA       SER  83   4.854 -12.683   1.180
  681   1HB   SER  83          HB2       SER  83   5.573 -11.000   2.929
  682   2HB   SER  83          HB3       SER  83   4.017 -10.206   2.709
  683    HG   SER  83           HG       SER  83   3.968 -12.949   3.214
  684    H    THR  84           HN       THR  84   2.520 -13.085   1.993
  685    HA   THR  84           HA       THR  84   0.551 -11.612   0.366
  686    HB   THR  84           HB       THR  84   0.274 -14.568   0.888
  687    HG1  THR  84           HG1      THR  84   2.165 -14.482  -0.283
  688   1HG2  THR  84          HG21      THR  84  -1.716 -13.370   0.155
  689   2HG2  THR  84          HG22      THR  84  -1.151 -14.451  -1.121
  690   3HG2  THR  84          HG23      THR  84  -0.836 -12.719  -1.228
  691    H    ASN  85           HN       ASN  85  -0.796 -10.636   1.761
  692    HA   ASN  85           HA       ASN  85  -1.965 -12.104   3.952
  693   1HB   ASN  85          HB2       ASN  85   0.308 -10.838   4.677
  694   2HB   ASN  85          HB3       ASN  85  -0.843  -9.526   4.830
  695   1HD2  ASN  85          HD21      ASN  85   0.633 -10.851   6.923
  696   2HD2  ASN  85          HD22      ASN  85  -0.540 -11.519   8.008
  697    H    LYS  86           HN       LYS  86  -3.691 -10.885   4.989
  698    HA   LYS  86           HA       LYS  86  -5.129  -9.210   3.167
  699   1HB   LYS  86          HB2       LYS  86  -5.753  -9.602   6.087
  700   2HB   LYS  86          HB3       LYS  86  -6.871  -9.295   4.765
  701   1HG   LYS  86          HG2       LYS  86  -6.325 -11.537   3.853
  702   2HG   LYS  86          HG3       LYS  86  -5.343 -11.832   5.289
  703   1HD   LYS  86          HD2       LYS  86  -7.378 -11.381   6.663
  704   2HD   LYS  86          HD3       LYS  86  -8.296 -11.323   5.167
  705   1HE   LYS  86          HE2       LYS  86  -7.797 -13.594   4.669
  706   2HE   LYS  86          HE3       LYS  86  -6.619 -13.681   5.976
  707   1HZ   LYS  86          HZ1       LYS  86  -8.703 -14.755   6.568
  708   2HZ   LYS  86          HZ2       LYS  86  -9.546 -13.309   6.321
  709   3HZ   LYS  86          HZ3       LYS  86  -8.406 -13.423   7.570
  710    H    PHE  87           HN       PHE  87  -6.069  -7.070   4.141
  711    HA   PHE  87           HA       PHE  87  -4.400  -5.788   6.094
  712   1HB   PHE  87          HB2       PHE  87  -3.793  -3.859   4.617
  713   2HB   PHE  87          HB3       PHE  87  -2.960  -5.363   4.246
  714    HD1  PHE  87           HD1      PHE  87  -2.992  -6.223   2.090
  715    HD2  PHE  87           HD2      PHE  87  -5.813  -3.228   3.173
  716    HE1  PHE  87           HE1      PHE  87  -3.675  -6.016  -0.262
  717    HE2  PHE  87           HE2      PHE  87  -6.507  -3.028   0.820
  718    HZ   PHE  87           HZ       PHE  87  -5.433  -4.425  -0.902
  719    H    CYS  88           HN       CYS  88  -5.246  -3.842   6.886
  720    HA   CYS  88           HA       CYS  88  -8.093  -3.519   6.283
  721   1HB   CYS  88          HB2       CYS  88  -7.591  -3.809   8.635
  722   2HB   CYS  88          HB3       CYS  88  -6.411  -2.499   8.585
  723    H    VAL  89           HN       VAL  89  -8.680  -1.931   4.988
  724    HA   VAL  89           HA       VAL  89  -6.969   0.453   4.801
  725    HB   VAL  89           HB       VAL  89  -8.243   0.884   2.633
  726   1HG1  VAL  89          HG11      VAL  89  -6.798  -0.622   1.335
  727   2HG1  VAL  89          HG12      VAL  89  -5.927   0.153   2.658
  728   3HG1  VAL  89          HG13      VAL  89  -6.440  -1.528   2.805
  729   1HG2  VAL  89          HG21      VAL  89 -10.088  -0.670   2.978
  730   2HG2  VAL  89          HG22      VAL  89  -9.198  -1.095   1.515
  731   3HG2  VAL  89          HG23      VAL  89  -8.963  -2.028   2.994
  732    H    THR  90           HN       THR  90  -7.847   2.426   5.229
  733    HA   THR  90           HA       THR  90 -10.442   2.446   6.484
  734    HB   THR  90           HB       THR  90  -8.661   4.810   5.857
  735    HG1  THR  90           HG1      THR  90  -8.267   2.780   7.553
  736   1HG2  THR  90          HG21      THR  90  -9.874   5.879   7.708
  737   2HG2  THR  90          HG22      THR  90 -10.875   4.438   7.881
  738   3HG2  THR  90          HG23      THR  90 -10.970   5.406   6.410
  739    H    CYS  91           HN       CYS  91 -12.155   2.362   5.158
  740    HA   CYS  91           HA       CYS  91 -11.961   3.428   2.466
  741   1HB   CYS  91          HB2       CYS  91 -14.199   1.958   3.859
  742   2HB   CYS  91          HB3       CYS  91 -14.100   2.295   2.132
  743    H    GLU  92           HN       GLU  92 -12.731   5.322   1.823
  744    HA   GLU  92           HA       GLU  92 -15.070   6.429   3.179
  745   1HB   GLU  92          HB2       GLU  92 -12.821   7.447   4.022
  746   2HB   GLU  92          HB3       GLU  92 -12.798   8.258   2.463
  747   1HG   GLU  92          HG2       GLU  92 -15.034   9.196   2.978
  748   2HG   GLU  92          HG3       GLU  92 -14.916   8.483   4.584
  749    H    ASN  93           HN       ASN  93 -16.506   7.208   1.769
  750    HA   ASN  93           HA       ASN  93 -17.543   7.662  -0.207
  751   1HB   ASN  93          HB2       ASN  93 -14.851   8.795  -1.019
  752   2HB   ASN  93          HB3       ASN  93 -16.392   9.132  -1.799
  753   1HD2  ASN  93          HD21      ASN  93 -14.290   9.869   0.797
  754   2HD2  ASN  93          HD22      ASN  93 -15.240  11.131   1.505
  755    H    GLN  94           HN       GLN  94 -16.354   5.102   0.139
  756    HA   GLN  94           HA       GLN  94 -16.129   3.168  -1.001
  757   1HB   GLN  94          HB2       GLN  94 -16.909   4.827  -3.400
  758   2HB   GLN  94          HB3       GLN  94 -16.841   3.070  -3.355
  759   1HG   GLN  94          HG2       GLN  94 -18.527   3.163  -1.492
  760   2HG   GLN  94          HG3       GLN  94 -18.697   4.879  -1.843
  761   1HE2  GLN  94          HE21      GLN  94 -18.078   2.566  -4.345
  762   2HE2  GLN  94          HE22      GLN  94 -19.646   2.634  -5.076
  763    H    ALA  95           HN       ALA  95 -13.891   4.982  -0.643
  764    HA   ALA  95           HA       ALA  95 -12.074   3.586  -2.440
  765   1HB   ALA  95          HB1       ALA  95 -10.839   5.624  -2.989
  766   2HB   ALA  95          HB2       ALA  95 -12.504   5.708  -3.568
  767   3HB   ALA  95          HB3       ALA  95 -12.030   6.585  -2.113
  768    HA   PRO  96           HA       PRO  96  -9.746   3.217   1.391
  769   1HB   PRO  96          HB2       PRO  96  -7.507   2.768  -0.485
  770   2HB   PRO  96          HB3       PRO  96  -8.087   1.752   0.838
  771   1HG   PRO  96          HG2       PRO  96  -8.514   1.113  -1.737
  772   2HG   PRO  96          HG3       PRO  96  -9.692   0.739  -0.470
  773   1HD   PRO  96          HD2       PRO  96  -9.753   2.869  -2.541
  774   2HD   PRO  96          HD3       PRO  96 -11.089   1.953  -1.821
  775    H    VAL  97           HN       VAL  97  -9.307   5.125   2.362
  776    HA   VAL  97           HA       VAL  97  -7.719   7.096   0.872
  777    HB   VAL  97           HB       VAL  97  -8.591   8.787   2.444
  778   1HG1  VAL  97          HG11      VAL  97  -9.756   8.461   0.355
  779   2HG1  VAL  97          HG12      VAL  97 -10.685   7.129   1.045
  780   3HG1  VAL  97          HG13      VAL  97 -10.929   8.771   1.637
  781   1HG2  VAL  97          HG21      VAL  97 -10.473   8.195   3.923
  782   2HG2  VAL  97          HG22      VAL  97 -10.214   6.494   3.533
  783   3HG2  VAL  97          HG23      VAL  97  -8.967   7.401   4.387
  784    H    HIS  98           HN       HIS  98  -7.828   5.292   3.865
  785    HA   HIS  98           HA       HIS  98  -5.112   6.260   4.456
  786   1HB   HIS  98          HB2       HIS  98  -7.414   5.912   6.373
  787   2HB   HIS  98          HB3       HIS  98  -5.746   5.863   6.925
  788    HD1  HIS  98           HD1      HIS  98  -5.165   8.013   7.971
  789    HD2  HIS  98           HD2      HIS  98  -7.671   8.527   4.686
  790    HE1  HIS  98           HE1      HIS  98  -5.500  10.498   7.749
  791    HE2  HIS  98           HE2      HIS  98  -7.174  10.770   5.881
  792    H    PHE  99           HN       PHE  99  -3.679   4.709   5.226
  793    HA   PHE  99           HA       PHE  99  -4.624   1.948   4.935
  794   1HB   PHE  99          HB2       PHE  99  -2.591   2.773   3.649
  795   2HB   PHE  99          HB3       PHE  99  -1.758   2.874   5.197
  796    HD1  PHE  99           HD1      PHE  99  -0.659   1.007   6.048
  797    HD2  PHE  99           HD2      PHE  99  -3.598   0.510   3.012
  798    HE1  PHE  99           HE1      PHE  99  -0.069  -1.376   5.873
  799    HE2  PHE  99           HE2      PHE  99  -3.017  -1.872   2.829
  800    HZ   PHE  99           HZ       PHE  99  -1.250  -2.819   4.261
  801    H    VAL 100           HN       VAL 100  -4.778   0.612   6.642
  802    HA   VAL 100           HA       VAL 100  -4.188   1.762   9.263
  803    HB   VAL 100           HB       VAL 100  -5.834  -0.664   8.518
  804   1HG1  VAL 100          HG11      VAL 100  -4.891  -0.939  10.722
  805   2HG1  VAL 100          HG12      VAL 100  -5.432   0.676  11.190
  806   3HG1  VAL 100          HG13      VAL 100  -6.615  -0.590  10.852
  807   1HG2  VAL 100          HG21      VAL 100  -7.756   0.747   9.181
  808   2HG2  VAL 100          HG22      VAL 100  -6.659   2.114   9.371
  809   3HG2  VAL 100          HG23      VAL 100  -6.898   1.388   7.781
  810    H    GLY 101           HN       GLY 101  -4.014  -1.527   7.876
  811   1HA   GLY 101          HA1       GLY 101  -1.272  -1.921   8.268
  812   2HA   GLY 101          HA2       GLY 101  -2.099  -2.482   9.716
  813    H    VAL 102           HN       VAL 102  -0.792  -4.420   8.501
  814    HA   VAL 102           HA       VAL 102  -2.692  -5.675   6.643
  815    HB   VAL 102           HB       VAL 102  -1.030  -6.892   5.671
  816   1HG1  VAL 102          HG11      VAL 102   0.917  -5.453   5.279
  817   2HG1  VAL 102          HG12      VAL 102  -0.610  -4.572   5.205
  818   3HG1  VAL 102          HG13      VAL 102   0.416  -4.440   6.633
  819   1HG2  VAL 102          HG21      VAL 102  -0.224  -8.001   7.692
  820   2HG2  VAL 102          HG22      VAL 102   1.106  -7.512   6.644
  821   3HG2  VAL 102          HG23      VAL 102   0.733  -6.574   8.093
  822    H    GLY 103           HN       GLY 103  -3.151  -7.930   6.850
  823   1HA   GLY 103          HA1       GLY 103  -3.366  -9.930   8.070
  824   2HA   GLY 103          HA2       GLY 103  -2.697  -9.123   9.482
  825    H    SER 104           HN       SER 104  -4.135  -7.257  10.272
  826    HA   SER 104           HA       SER 104  -6.974  -7.665   9.899
  827   1HB   SER 104          HB2       SER 104  -7.283  -7.922  12.417
  828   2HB   SER 104          HB3       SER 104  -6.660  -9.335  11.569
  829    HG   SER 104           HG       SER 104  -4.578  -7.878  12.284
  830    H    CYS 105           HN       CYS 105  -8.194  -6.097  11.400
  831    HA   CYS 105           HA       CYS 105  -6.704  -3.565  11.316
  832   1HB   CYS 105          HB2       CYS 105  -8.935  -4.012  10.009
  833   2HB   CYS 105          HB3       CYS 105  -9.683  -3.713  11.573
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1  -6.628  16.377   4.603
    2   2H    MET   1           H2       MET   1  -6.446  14.692   4.536
    3   3H    MET   1           H3       MET   1  -7.335  15.491   3.340
    4    HA   MET   1           HA       MET   1  -5.361  16.634   2.582
    5   1HB   MET   1          HB2       MET   1  -4.142  16.713   4.688
    6   2HB   MET   1          HB3       MET   1  -4.001  14.961   4.706
    7   1HG   MET   1          HG2       MET   1  -2.649  15.078   2.652
    8   2HG   MET   1          HG3       MET   1  -2.739  16.836   2.719
    9   1HE   MET   1          HE1       MET   1  -0.007  15.150   2.564
   10   2HE   MET   1          HE2       MET   1  -0.072  16.912   2.588
   11   3HE   MET   1          HE3       MET   1   0.985  16.051   3.709
   12    H    GLN   2           HN       GLN   2  -5.274  13.244   3.705
   13    HA   GLN   2           HA       GLN   2  -4.171  12.424   1.149
   14   1HB   GLN   2          HB2       GLN   2  -4.802  10.890   3.668
   15   2HB   GLN   2          HB3       GLN   2  -4.171  10.145   2.206
   16   1HG   GLN   2          HG2       GLN   2  -2.195  11.609   2.352
   17   2HG   GLN   2          HG3       GLN   2  -2.815  12.247   3.874
   18   1HE2  GLN   2          HE21      GLN   2  -2.779  10.967   5.707
   19   2HE2  GLN   2          HE22      GLN   2  -1.848   9.501   5.791
   20    H    ASP   3           HN       ASP   3  -5.161  11.207  -0.348
   21    HA   ASP   3           HA       ASP   3  -7.918  10.354   0.094
   22   1HB   ASP   3          HB2       ASP   3  -8.569  11.258  -2.136
   23   2HB   ASP   3          HB3       ASP   3  -8.191  12.506  -0.957
   24    H    TRP   4           HN       TRP   4  -8.562   9.355  -2.270
   25    HA   TRP   4           HA       TRP   4  -7.191   6.927  -2.388
   26   1HB   TRP   4          HB2       TRP   4  -9.485   7.067  -3.078
   27   2HB   TRP   4          HB3       TRP   4  -9.097   8.249  -4.320
   28    HD1  TRP   4           HD1      TRP   4  -9.281   7.193  -6.617
   29    HE1  TRP   4           HE1      TRP   4  -8.727   4.907  -7.671
   30    HE3  TRP   4           HE3      TRP   4  -7.572   4.776  -2.448
   31    HZ2  TRP   4           HZ2      TRP   4  -7.700   2.423  -6.832
   32    HZ3  TRP   4           HZ3      TRP   4  -6.834   2.440  -2.660
   33    HH2  TRP   4           HH2      TRP   4  -6.889   1.294  -4.810
   34    H    LEU   5           HN       LEU   5  -6.859   9.851  -4.335
   35    HA   LEU   5           HA       LEU   5  -5.232   8.740  -6.356
   36   1HB   LEU   5          HB2       LEU   5  -5.385  11.588  -5.357
   37   2HB   LEU   5          HB3       LEU   5  -4.570  11.087  -6.824
   38    HG   LEU   5           HG       LEU   5  -6.624  12.002  -7.509
   39   1HD1  LEU   5          HD11      LEU   5  -6.958   9.013  -7.453
   40   2HD1  LEU   5          HD12      LEU   5  -7.809  10.130  -8.521
   41   3HD1  LEU   5          HD13      LEU   5  -6.063   9.941  -8.656
   42   1HD2  LEU   5          HD21      LEU   5  -8.792  11.362  -6.619
   43   2HD2  LEU   5          HD22      LEU   5  -8.012  10.265  -5.478
   44   3HD2  LEU   5          HD23      LEU   5  -7.753  12.004  -5.346
   45    H    THR   6           HN       THR   6  -4.527  10.319  -3.298
   46    HA   THR   6           HA       THR   6  -1.688  10.231  -3.575
   47    HB   THR   6           HB       THR   6  -3.283  10.431  -1.019
   48    HG1  THR   6           HG1      THR   6  -4.042  12.020  -2.433
   49   1HG2  THR   6          HG21      THR   6  -0.551  11.481  -1.773
   50   2HG2  THR   6          HG22      THR   6  -0.868  10.095  -0.728
   51   3HG2  THR   6          HG23      THR   6  -1.357  11.713  -0.220
   52    H    PHE   7           HN       PHE   7  -4.111   8.193  -2.026
   53    HA   PHE   7           HA       PHE   7  -2.414   6.410  -0.683
   54   1HB   PHE   7          HB2       PHE   7  -4.871   6.587  -0.340
   55   2HB   PHE   7          HB3       PHE   7  -5.129   5.863  -1.922
   56    HD1  PHE   7           HD1      PHE   7  -4.410   5.261   1.569
   57    HD2  PHE   7           HD2      PHE   7  -4.480   3.508  -2.308
   58    HE1  PHE   7           HE1      PHE   7  -4.370   3.021   2.587
   59    HE2  PHE   7           HE2      PHE   7  -4.453   1.265  -1.297
   60    HZ   PHE   7           HZ       PHE   7  -4.418   1.036   1.189
   61    H    GLN   8           HN       GLN   8  -3.779   6.331  -3.947
   62    HA   GLN   8           HA       GLN   8  -2.985   3.857  -4.829
   63   1HB   GLN   8          HB2       GLN   8  -3.364   6.498  -6.137
   64   2HB   GLN   8          HB3       GLN   8  -2.621   5.201  -7.050
   65   1HG   GLN   8          HG2       GLN   8  -4.582   3.793  -6.625
   66   2HG   GLN   8          HG3       GLN   8  -5.325   5.126  -5.738
   67   1HE2  GLN   8          HE21      GLN   8  -6.027   6.942  -6.870
   68   2HE2  GLN   8          HE22      GLN   8  -6.273   6.921  -8.581
   69    H    LYS   9           HN       LYS   9  -1.182   6.879  -5.291
   70    HA   LYS   9           HA       LYS   9   1.019   5.915  -6.618
   71   1HB   LYS   9          HB2       LYS   9   1.000   8.079  -4.510
   72   2HB   LYS   9          HB3       LYS   9   2.202   7.879  -5.775
   73   1HG   LYS   9          HG2       LYS   9   0.686   8.516  -7.458
   74   2HG   LYS   9          HG3       LYS   9  -0.699   8.367  -6.369
   75   1HD   LYS   9          HD2       LYS   9   0.085  10.232  -5.058
   76   2HD   LYS   9          HD3       LYS   9   1.551  10.345  -6.033
   77   1HE   LYS   9          HE2       LYS   9   0.191  10.887  -7.997
   78   2HE   LYS   9          HE3       LYS   9  -1.269  10.784  -7.011
   79   1HZ   LYS   9          HZ1       LYS   9  -0.553  12.637  -5.719
   80   2HZ   LYS   9          HZ2       LYS   9  -0.436  13.078  -7.353
   81   3HZ   LYS   9          HZ3       LYS   9   0.961  12.671  -6.482
   82    H    LYS  10           HN       LYS  10   0.319   5.860  -3.205
   83    HA   LYS  10           HA       LYS  10   3.063   5.125  -2.564
   84   1HB   LYS  10          HB2       LYS  10   0.726   5.892  -0.830
   85   2HB   LYS  10          HB3       LYS  10   2.291   5.404  -0.192
   86   1HG   LYS  10          HG2       LYS  10   3.331   7.256  -1.479
   87   2HG   LYS  10          HG3       LYS  10   1.712   7.782  -1.943
   88   1HD   LYS  10          HD2       LYS  10   2.609   7.483   0.913
   89   2HD   LYS  10          HD3       LYS  10   2.725   8.993   0.012
   90   1HE   LYS  10          HE2       LYS  10   0.295   8.946  -0.345
   91   2HE   LYS  10          HE3       LYS  10   0.198   7.456   0.595
   92   1HZ   LYS  10          HZ1       LYS  10  -0.346   9.408   1.930
   93   2HZ   LYS  10          HZ2       LYS  10   1.181  10.071   1.616
   94   3HZ   LYS  10          HZ3       LYS  10   1.042   8.635   2.515
   95    H    HIS  11           HN       HIS  11   0.095   3.455  -3.026
   96    HA   HIS  11           HA       HIS  11   1.288   1.165  -1.606
   97   1HB   HIS  11          HB2       HIS  11  -1.575   2.084  -1.376
   98   2HB   HIS  11          HB3       HIS  11  -1.015   0.500  -0.845
   99    HD1  HIS  11           HD1      HIS  11   1.025   0.655   1.023
  100    HD2  HIS  11           HD2      HIS  11  -1.409   3.996   0.520
  101    HE1  HIS  11           HE1      HIS  11   1.340   2.046   3.094
  102    HE2  HIS  11           HE2      HIS  11  -0.265   3.977   2.842
  103    H    ILE  12           HN       ILE  12  -0.169   2.283  -4.451
  104    HA   ILE  12           HA       ILE  12  -0.972  -0.433  -5.219
  105    HB   ILE  12           HB       ILE  12  -1.464   2.185  -6.661
  106   1HG1  ILE  12          HG12      ILE  12  -2.720   2.062  -4.579
  107   2HG1  ILE  12          HG13      ILE  12  -3.805   1.890  -5.949
  108   1HG2  ILE  12          HG21      ILE  12  -3.014   0.910  -8.054
  109   2HG2  ILE  12          HG22      ILE  12  -1.365   0.297  -8.196
  110   3HG2  ILE  12          HG23      ILE  12  -2.550  -0.571  -7.218
  111   1HD1  ILE  12          HD11      ILE  12  -2.776  -0.347  -4.222
  112   2HD1  ILE  12          HD12      ILE  12  -4.389   0.365  -4.156
  113   3HD1  ILE  12          HD13      ILE  12  -3.873  -0.519  -5.593
  114    H    THR  13           HN       THR  13   0.770  -1.540  -5.901
  115    HA   THR  13           HA       THR  13   2.428  -0.247  -7.960
  116    HB   THR  13           HB       THR  13   3.728  -0.788  -5.890
  117    HG1  THR  13           HG1      THR  13   5.435  -1.563  -7.063
  118   1HG2  THR  13          HG21      THR  13   3.054  -3.637  -6.637
  119   2HG2  THR  13          HG22      THR  13   2.604  -2.798  -5.151
  120   3HG2  THR  13          HG23      THR  13   4.300  -3.166  -5.480
  121    H    ASN  14           HN       ASN  14   3.118  -1.571  -9.689
  122    HA   ASN  14           HA       ASN  14   1.190  -3.714 -10.281
  123   1HB   ASN  14          HB2       ASN  14   1.699  -3.162 -12.684
  124   2HB   ASN  14          HB3       ASN  14   0.917  -1.864 -11.788
  125   1HD2  ASN  14          HD21      ASN  14   3.840  -2.930 -13.328
  126   2HD2  ASN  14          HD22      ASN  14   4.653  -1.404 -13.282
  127    H    THR  15           HN       THR  15   3.976  -3.692  -8.992
  128    HA   THR  15           HA       THR  15   4.970  -5.963 -10.536
  129    HB   THR  15           HB       THR  15   6.284  -4.027 -11.291
  130    HG1  THR  15           HG1      THR  15   8.234  -5.016 -11.062
  131   1HG2  THR  15          HG21      THR  15   6.096  -2.612  -9.312
  132   2HG2  THR  15          HG22      THR  15   7.787  -2.856  -9.749
  133   3HG2  THR  15          HG23      THR  15   7.090  -3.745  -8.395
  134    H    ARG  16           HN       ARG  16   5.863  -7.577  -9.285
  135    HA   ARG  16           HA       ARG  16   5.271  -7.547  -6.487
  136   1HB   ARG  16          HB2       ARG  16   6.678  -9.527  -8.278
  137   2HB   ARG  16          HB3       ARG  16   6.507  -9.783  -6.546
  138   1HG   ARG  16          HG2       ARG  16   4.184  -9.326  -8.397
  139   2HG   ARG  16          HG3       ARG  16   4.797 -10.923  -7.957
  140   1HD   ARG  16          HD2       ARG  16   3.902  -8.861  -5.951
  141   2HD   ARG  16          HD3       ARG  16   2.843 -10.114  -6.599
  142    HE   ARG  16           HE       ARG  16   4.685 -11.672  -5.677
  143   1HH1  ARG  16          HH12      ARG  16   3.748  -8.640  -4.198
  144   2HH1  ARG  16          HH11      ARG  16   4.065  -9.182  -2.583
  145   1HH2  ARG  16          HH22      ARG  16   5.069 -12.405  -3.558
  146   2HH2  ARG  16          HH21      ARG  16   4.779 -11.339  -2.217
  147    H    ASP  17           HN       ASP  17   8.170  -7.288  -8.450
  148    HA   ASP  17           HA       ASP  17   9.804  -6.870  -6.078
  149   1HB   ASP  17          HB2       ASP  17  10.444  -7.209  -9.009
  150   2HB   ASP  17          HB3       ASP  17  11.647  -6.756  -7.818
  151    H    VAL  18           HN       VAL  18   8.464  -4.842  -5.730
  152    HA   VAL  18           HA       VAL  18   8.907  -2.630  -7.469
  153    HB   VAL  18           HB       VAL  18   6.979  -2.472  -6.080
  154   1HG1  VAL  18          HG11      VAL  18   7.583  -3.901  -4.234
  155   2HG1  VAL  18          HG12      VAL  18   8.809  -2.747  -3.700
  156   3HG1  VAL  18          HG13      VAL  18   7.099  -2.318  -3.617
  157   1HG2  VAL  18          HG21      VAL  18   7.381  -0.336  -4.870
  158   2HG2  VAL  18          HG22      VAL  18   9.112  -0.548  -5.160
  159   3HG2  VAL  18          HG23      VAL  18   8.003  -0.349  -6.521
  160    H    ASP  19           HN       ASP  19  10.537  -1.171  -7.516
  161    HA   ASP  19           HA       ASP  19  12.919  -1.870  -6.058
  162   1HB   ASP  19          HB2       ASP  19  13.019  -1.207  -8.443
  163   2HB   ASP  19          HB3       ASP  19  12.470   0.405  -8.000
  164    H    CYS  20           HN       CYS  20  12.269  -1.447  -3.956
  165    HA   CYS  20           HA       CYS  20  11.080   0.800  -2.928
  166   1HB   CYS  20          HB2       CYS  20  13.254  -0.675  -1.460
  167   2HB   CYS  20          HB3       CYS  20  11.809   0.093  -0.805
  168    H    ASP  21           HN       ASP  21  14.551   0.241  -3.379
  169    HA   ASP  21           HA       ASP  21  15.533   2.467  -2.039
  170   1HB   ASP  21          HB2       ASP  21  16.635   0.942  -4.395
  171   2HB   ASP  21          HB3       ASP  21  17.512   2.267  -3.642
  172    H    ASN  22           HN       ASN  22  14.312   2.199  -5.322
  173    HA   ASN  22           HA       ASN  22  15.048   4.948  -5.937
  174   1HB   ASN  22          HB2       ASN  22  15.278   3.188  -7.646
  175   2HB   ASN  22          HB3       ASN  22  13.555   2.887  -7.566
  176   1HD2  ASN  22          HD21      ASN  22  13.352   3.311  -9.756
  177   2HD2  ASN  22          HD22      ASN  22  13.398   4.918 -10.390
  178    H    ILE  23           HN       ILE  23  12.155   2.995  -5.575
  179    HA   ILE  23           HA       ILE  23  10.274   4.999  -6.105
  180    HB   ILE  23           HB       ILE  23  10.018   2.567  -4.338
  181   1HG1  ILE  23          HG12      ILE  23  10.532   2.083  -6.692
  182   2HG1  ILE  23          HG13      ILE  23   8.893   1.595  -6.285
  183   1HG2  ILE  23          HG21      ILE  23   7.605   2.846  -4.547
  184   2HG2  ILE  23          HG22      ILE  23   8.334   4.244  -3.757
  185   3HG2  ILE  23          HG23      ILE  23   7.843   4.342  -5.449
  186   1HD1  ILE  23          HD11      ILE  23   8.981   2.637  -8.471
  187   2HD1  ILE  23          HD12      ILE  23   8.024   3.606  -7.350
  188   3HD1  ILE  23          HD13      ILE  23   9.668   4.098  -7.757
  189    H    LEU  24           HN       LEU  24  11.715   3.991  -2.996
  190    HA   LEU  24           HA       LEU  24   9.983   5.803  -1.565
  191   1HB   LEU  24          HB2       LEU  24  12.308   4.255  -0.449
  192   2HB   LEU  24          HB3       LEU  24  10.978   4.962   0.442
  193    HG   LEU  24           HG       LEU  24  10.902   2.545  -1.355
  194   1HD1  LEU  24          HD11      LEU  24  10.289   2.936   1.569
  195   2HD1  LEU  24          HD12      LEU  24  10.153   1.422   0.676
  196   3HD1  LEU  24          HD13      LEU  24  11.734   2.172   0.904
  197   1HD2  LEU  24          HD21      LEU  24   8.896   3.861  -1.753
  198   2HD2  LEU  24          HD22      LEU  24   8.535   2.382  -0.859
  199   3HD2  LEU  24          HD23      LEU  24   8.592   3.933  -0.017
  200    H    SER  25           HN       SER  25  12.842   6.272  -3.229
  201    HA   SER  25           HA       SER  25  13.814   8.282  -1.345
  202   1HB   SER  25          HB2       SER  25  15.644   8.581  -3.096
  203   2HB   SER  25          HB3       SER  25  15.591   7.021  -2.277
  204    HG   SER  25           HG       SER  25  15.243   6.103  -4.122
  205    H    THR  26           HN       THR  26  11.450   8.161  -3.539
  206    HA   THR  26           HA       THR  26  11.837  10.647  -4.911
  207    HB   THR  26           HB       THR  26   9.458  10.426  -5.539
  208    HG1  THR  26           HG1      THR  26   9.305   7.906  -4.313
  209   1HG2  THR  26          HG21      THR  26   9.646   8.362  -6.833
  210   2HG2  THR  26          HG22      THR  26  10.993   7.840  -5.821
  211   3HG2  THR  26          HG23      THR  26  11.166   9.255  -6.860
  212    H    ASN  27           HN       ASN  27  10.060  12.372  -4.656
  213    HA   ASN  27           HA       ASN  27  10.183  13.374  -1.980
  214   1HB   ASN  27          HB2       ASN  27  10.133  14.751  -4.126
  215   2HB   ASN  27          HB3       ASN  27   8.409  14.407  -4.196
  216   1HD2  ASN  27          HD21      ASN  27  10.416  15.078  -1.360
  217   2HD2  ASN  27          HD22      ASN  27   9.579  16.530  -0.903
  218    H    LEU  28           HN       LEU  28   8.189  11.184  -3.520
  219    HA   LEU  28           HA       LEU  28   5.717  11.784  -2.175
  220   1HB   LEU  28          HB2       LEU  28   5.828  10.772  -4.426
  221   2HB   LEU  28          HB3       LEU  28   6.588   9.351  -3.739
  222    HG   LEU  28           HG       LEU  28   4.500   8.997  -2.380
  223   1HD1  LEU  28          HD11      LEU  28   2.463  10.111  -3.151
  224   2HD1  LEU  28          HD12      LEU  28   3.621  11.263  -2.485
  225   3HD1  LEU  28          HD13      LEU  28   3.424  11.122  -4.232
  226   1HD2  LEU  28          HD21      LEU  28   4.243   8.984  -5.386
  227   2HD2  LEU  28          HD22      LEU  28   4.989   7.724  -4.400
  228   3HD2  LEU  28          HD23      LEU  28   3.261   8.046  -4.259
  229    H    PHE  29           HN       PHE  29   8.585  10.295  -1.244
  230    HA   PHE  29           HA       PHE  29   7.226   8.891   0.945
  231   1HB   PHE  29          HB2       PHE  29   9.451   7.713  -0.732
  232   2HB   PHE  29          HB3       PHE  29   8.810   6.996   0.742
  233    HD1  PHE  29           HD1      PHE  29   8.382   7.425  -2.803
  234    HD2  PHE  29           HD2      PHE  29   6.460   6.167   0.774
  235    HE1  PHE  29           HE1      PHE  29   6.698   6.235  -4.136
  236    HE2  PHE  29           HE2      PHE  29   4.769   4.971  -0.553
  237    HZ   PHE  29           HZ       PHE  29   4.888   5.003  -3.014
  238    H    HIS  30           HN       HIS  30  10.020  10.457  -0.385
  239    HA   HIS  30           HA       HIS  30  11.932  11.278   0.483
  240   1HB   HIS  30          HB2       HIS  30  11.539  12.758   2.507
  241   2HB   HIS  30          HB3       HIS  30  10.619  13.114   1.065
  242    HD1  HIS  30           HD1      HIS  30  10.201  11.659   4.538
  243    HD2  HIS  30           HD2      HIS  30   7.895  13.055   1.368
  244    HE1  HIS  30           HE1      HIS  30   7.854  11.813   5.420
  245    HE2  HIS  30           HE2      HIS  30   6.506  12.802   3.532
  246    H    CYS  31           HN       CYS  31  11.977   8.705   0.943
  247    HA   CYS  31           HA       CYS  31  12.945   7.056   2.127
  248   1HB   CYS  31          HB2       CYS  31  14.484   9.267   3.498
  249   2HB   CYS  31          HB3       CYS  31  14.986   7.600   3.264
  250    H    LYS  32           HN       LYS  32  10.723   6.947   3.109
  251    HA   LYS  32           HA       LYS  32  10.466   7.642   5.878
  252   1HB   LYS  32          HB2       LYS  32   8.342   6.485   5.777
  253   2HB   LYS  32          HB3       LYS  32   8.521   7.511   4.363
  254   1HG   LYS  32          HG2       LYS  32   9.417   5.277   3.276
  255   2HG   LYS  32          HG3       LYS  32   8.470   4.549   4.571
  256   1HD   LYS  32          HD2       LYS  32   7.440   6.527   2.543
  257   2HD   LYS  32          HD3       LYS  32   7.174   4.785   2.503
  258   1HE   LYS  32          HE2       LYS  32   5.970   4.904   4.612
  259   2HE   LYS  32          HE3       LYS  32   6.276   6.639   4.706
  260   1HZ   LYS  32          HZ1       LYS  32   4.696   5.272   2.592
  261   2HZ   LYS  32          HZ2       LYS  32   4.990   6.941   2.682
  262   3HZ   LYS  32          HZ3       LYS  32   4.059   6.178   3.879
  263    H    ASP  33           HN       ASP  33   9.685   5.715   7.370
  264    HA   ASP  33           HA       ASP  33  11.924   4.055   7.844
  265   1HB   ASP  33          HB2       ASP  33   9.092   3.829   8.891
  266   2HB   ASP  33          HB3       ASP  33  10.459   2.907   9.499
  267    H    LYS  34           HN       LYS  34   8.675   3.305   6.660
  268    HA   LYS  34           HA       LYS  34   9.698   1.157   5.023
  269   1HB   LYS  34          HB2       LYS  34   8.327  -0.580   5.985
  270   2HB   LYS  34          HB3       LYS  34   9.359   0.087   7.239
  271   1HG   LYS  34          HG2       LYS  34   6.879   1.511   7.171
  272   2HG   LYS  34          HG3       LYS  34   6.578  -0.223   7.276
  273   1HD   LYS  34          HD2       LYS  34   8.401   1.342   9.100
  274   2HD   LYS  34          HD3       LYS  34   6.754   0.839   9.494
  275   1HE   LYS  34          HE2       LYS  34   7.487  -1.524   9.076
  276   2HE   LYS  34          HE3       LYS  34   9.136  -0.917   8.955
  277   1HZ   LYS  34          HZ1       LYS  34   7.370  -0.693  11.332
  278   2HZ   LYS  34          HZ2       LYS  34   8.951  -0.082  11.223
  279   3HZ   LYS  34          HZ3       LYS  34   8.681  -1.753  11.156
  280    H    ASN  35           HN       ASN  35   7.991   0.275   3.633
  281    HA   ASN  35           HA       ASN  35   5.471   1.704   3.591
  282   1HB   ASN  35          HB2       ASN  35   7.132   3.077   2.233
  283   2HB   ASN  35          HB3       ASN  35   7.159   1.737   1.095
  284   1HD2  ASN  35          HD21      ASN  35   5.368   1.329  -0.162
  285   2HD2  ASN  35          HD22      ASN  35   4.060   2.454  -0.326
  286    H    THR  36           HN       THR  36   4.012   0.141   3.364
  287    HA   THR  36           HA       THR  36   4.749  -2.375   2.104
  288    HB   THR  36           HB       THR  36   2.095  -1.650   3.358
  289    HG1  THR  36           HG1      THR  36   4.574  -2.367   4.511
  290   1HG2  THR  36          HG21      THR  36   1.900  -4.072   3.691
  291   2HG2  THR  36          HG22      THR  36   3.466  -4.309   2.915
  292   3HG2  THR  36          HG23      THR  36   2.106  -3.684   1.983
  293    H    PHE  37           HN       PHE  37   4.508  -2.579  -0.027
  294    HA   PHE  37           HA       PHE  37   2.453  -1.025  -1.418
  295   1HB   PHE  37          HB2       PHE  37   4.692  -2.757  -2.487
  296   2HB   PHE  37          HB3       PHE  37   3.553  -1.864  -3.484
  297    HD1  PHE  37           HD1      PHE  37   6.413  -1.596  -1.197
  298    HD2  PHE  37           HD2      PHE  37   3.752   0.491  -3.783
  299    HE1  PHE  37           HE1      PHE  37   7.863   0.383  -1.089
  300    HE2  PHE  37           HE2      PHE  37   5.211   2.468  -3.688
  301    HZ   PHE  37           HZ       PHE  37   7.364   2.334  -2.449
  302    H    ILE  38           HN       ILE  38   0.908  -1.953  -2.710
  303    HA   ILE  38           HA       ILE  38   0.308  -4.776  -2.146
  304    HB   ILE  38           HB       ILE  38  -1.544  -2.568  -3.071
  305   1HG1  ILE  38          HG12      ILE  38  -1.504  -3.849  -0.344
  306   2HG1  ILE  38          HG13      ILE  38  -0.571  -2.401  -0.706
  307   1HG2  ILE  38          HG21      ILE  38  -3.345  -4.132  -2.562
  308   2HG2  ILE  38          HG22      ILE  38  -2.261  -4.794  -3.785
  309   3HG2  ILE  38          HG23      ILE  38  -2.161  -5.363  -2.118
  310   1HD1  ILE  38          HD11      ILE  38  -2.683  -1.857   0.363
  311   2HD1  ILE  38          HD12      ILE  38  -2.619  -1.219  -1.278
  312   3HD1  ILE  38          HD13      ILE  38  -3.559  -2.670  -0.933
  313    H    TYR  39           HN       TYR  39   0.781  -6.099  -3.823
  314    HA   TYR  39           HA       TYR  39   0.933  -5.087  -6.516
  315   1HB   TYR  39          HB2       TYR  39   2.474  -6.857  -5.908
  316   2HB   TYR  39          HB3       TYR  39   1.142  -7.907  -5.441
  317    HD1  TYR  39           HD1      TYR  39   2.524  -6.081  -8.381
  318    HD2  TYR  39           HD2      TYR  39   0.266  -9.413  -6.999
  319    HE1  TYR  39           HE1      TYR  39   2.471  -6.984 -10.666
  320    HE2  TYR  39           HE2      TYR  39   0.204 -10.322  -9.284
  321    HH   TYR  39           HH       TYR  39   2.176  -9.094 -11.801
  322    H    SER  40           HN       SER  40  -1.049  -4.306  -6.907
  323    HA   SER  40           HA       SER  40  -2.937  -6.029  -8.059
  324   1HB   SER  40          HB2       SER  40  -3.476  -6.507  -5.668
  325   2HB   SER  40          HB3       SER  40  -3.789  -4.794  -5.415
  326    HG   SER  40           HG       SER  40  -5.145  -6.134  -7.473
  327    H    ARG  41           HN       ARG  41  -4.469  -4.820  -9.224
  328    HA   ARG  41           HA       ARG  41  -3.671  -2.185  -9.857
  329   1HB   ARG  41          HB2       ARG  41  -5.827  -4.008 -10.696
  330   2HB   ARG  41          HB3       ARG  41  -6.145  -2.300 -10.910
  331   1HG   ARG  41          HG2       ARG  41  -4.725  -2.123 -12.612
  332   2HG   ARG  41          HG3       ARG  41  -3.507  -3.133 -11.826
  333   1HD   ARG  41          HD2       ARG  41  -5.991  -4.411 -12.804
  334   2HD   ARG  41          HD3       ARG  41  -4.782  -3.928 -13.989
  335    HE   ARG  41           HE       ARG  41  -3.282  -5.261 -12.243
  336   1HH1  ARG  41          HH12      ARG  41  -6.402  -6.107 -13.592
  337   2HH1  ARG  41          HH11      ARG  41  -6.069  -7.811 -13.619
  338   1HH2  ARG  41          HH22      ARG  41  -2.835  -7.507 -12.267
  339   2HH2  ARG  41          HH21      ARG  41  -4.046  -8.612 -12.850
  340    HA   PRO  42           HA       PRO  42  -5.839   0.378  -7.070
  341   1HB   PRO  42          HB2       PRO  42  -6.902   2.290  -8.724
  342   2HB   PRO  42          HB3       PRO  42  -5.201   2.233  -8.253
  343   1HG   PRO  42          HG2       PRO  42  -6.499   1.325 -10.780
  344   2HG   PRO  42          HG3       PRO  42  -4.941   2.127 -10.548
  345   1HD   PRO  42          HD2       PRO  42  -5.187  -0.548 -10.999
  346   2HD   PRO  42          HD3       PRO  42  -3.866   0.155 -10.037
  347    H    GLU  43           HN       GLU  43  -7.617  -0.930  -9.788
  348    HA   GLU  43           HA       GLU  43 -10.177  -0.023  -8.945
  349   1HB   GLU  43          HB2       GLU  43  -9.283  -2.132 -10.894
  350   2HB   GLU  43          HB3       GLU  43 -10.973  -1.763 -10.603
  351   1HG   GLU  43          HG2       GLU  43 -10.644   0.508 -11.348
  352   2HG   GLU  43          HG3       GLU  43  -8.916   0.222 -11.530
  353    HA   PRO  44           HA       PRO  44 -10.769  -4.571  -7.295
  354   1HB   PRO  44          HB2       PRO  44  -8.419  -5.899  -6.759
  355   2HB   PRO  44          HB3       PRO  44  -9.384  -6.131  -8.218
  356   1HG   PRO  44          HG2       PRO  44  -6.942  -4.461  -7.801
  357   2HG   PRO  44          HG3       PRO  44  -7.382  -5.485  -9.182
  358   1HD   PRO  44          HD2       PRO  44  -7.669  -2.814  -9.264
  359   2HD   PRO  44          HD3       PRO  44  -8.818  -3.897 -10.053
  360    H    VAL  45           HN       VAL  45  -8.182  -2.434  -6.354
  361    HA   VAL  45           HA       VAL  45  -8.383  -3.203  -3.557
  362    HB   VAL  45           HB       VAL  45  -6.727  -1.045  -4.882
  363   1HG1  VAL  45          HG11      VAL  45  -6.703  -1.993  -2.017
  364   2HG1  VAL  45          HG12      VAL  45  -5.561  -0.858  -2.736
  365   3HG1  VAL  45          HG13      VAL  45  -7.263  -0.419  -2.581
  366   1HG2  VAL  45          HG21      VAL  45  -6.022  -3.300  -5.448
  367   2HG2  VAL  45          HG22      VAL  45  -4.850  -2.540  -4.373
  368   3HG2  VAL  45          HG23      VAL  45  -5.982  -3.735  -3.741
  369    H    LYS  46           HN       LYS  46  -9.333  -0.517  -5.660
  370    HA   LYS  46           HA       LYS  46 -10.503   1.042  -3.585
  371   1HB   LYS  46          HB2       LYS  46  -9.935   1.921  -5.869
  372   2HB   LYS  46          HB3       LYS  46 -11.276   0.986  -6.513
  373   1HG   LYS  46          HG2       LYS  46 -12.843   2.257  -5.162
  374   2HG   LYS  46          HG3       LYS  46 -11.511   3.172  -4.460
  375   1HD   LYS  46          HD2       LYS  46 -10.943   4.044  -6.665
  376   2HD   LYS  46          HD3       LYS  46 -12.279   3.133  -7.373
  377   1HE   LYS  46          HE2       LYS  46 -12.550   5.262  -5.256
  378   2HE   LYS  46          HE3       LYS  46 -12.841   5.498  -6.973
  379   1HZ   LYS  46          HZ1       LYS  46 -14.594   3.799  -6.842
  380   2HZ   LYS  46          HZ2       LYS  46 -14.915   5.132  -5.836
  381   3HZ   LYS  46          HZ3       LYS  46 -14.346   3.686  -5.167
  382    H    ALA  47           HN       ALA  47 -11.538  -1.639  -5.549
  383    HA   ALA  47           HA       ALA  47 -14.307  -1.529  -4.972
  384   1HB   ALA  47          HB1       ALA  47 -12.618  -3.910  -5.730
  385   2HB   ALA  47          HB2       ALA  47 -14.378  -3.816  -5.806
  386   3HB   ALA  47          HB3       ALA  47 -13.394  -2.794  -6.855
  387    H    ILE  48           HN       ILE  48 -11.594  -2.512  -3.097
  388    HA   ILE  48           HA       ILE  48 -12.912  -4.221  -1.267
  389    HB   ILE  48           HB       ILE  48 -10.601  -2.342  -0.704
  390   1HG1  ILE  48          HG12      ILE  48 -10.559  -5.250  -1.546
  391   2HG1  ILE  48          HG13      ILE  48 -10.196  -3.894  -2.607
  392   1HG2  ILE  48          HG21      ILE  48 -11.638  -3.159   1.330
  393   2HG2  ILE  48          HG22      ILE  48 -11.546  -4.818   0.737
  394   3HG2  ILE  48          HG23      ILE  48 -10.067  -3.928   1.100
  395   1HD1  ILE  48          HD11      ILE  48  -8.660  -4.659  -0.139
  396   2HD1  ILE  48          HD12      ILE  48  -8.173  -4.968  -1.806
  397   3HD1  ILE  48          HD13      ILE  48  -8.290  -3.311  -1.214
  398    H    CYS  49           HN       CYS  49 -12.720  -0.769  -1.688
  399    HA   CYS  49           HA       CYS  49 -14.236  -0.296   0.768
  400   1HB   CYS  49          HB2       CYS  49 -12.832   1.578  -1.143
  401   2HB   CYS  49          HB3       CYS  49 -13.696   2.091   0.303
  402    H    LYS  50           HN       LYS  50 -15.166  -1.363  -1.992
  403    HA   LYS  50           HA       LYS  50 -16.882   0.527  -3.158
  404   1HB   LYS  50          HB2       LYS  50 -16.244  -1.641  -4.194
  405   2HB   LYS  50          HB3       LYS  50 -17.261  -2.470  -3.024
  406   1HG   LYS  50          HG2       LYS  50 -19.190  -1.108  -3.924
  407   2HG   LYS  50          HG3       LYS  50 -18.110  -0.615  -5.230
  408   1HD   LYS  50          HD2       LYS  50 -18.904  -3.440  -4.534
  409   2HD   LYS  50          HD3       LYS  50 -19.477  -2.507  -5.918
  410   1HE   LYS  50          HE2       LYS  50 -17.223  -2.425  -6.819
  411   2HE   LYS  50          HE3       LYS  50 -16.609  -3.282  -5.405
  412   1HZ   LYS  50          HZ1       LYS  50 -16.874  -4.825  -7.195
  413   2HZ   LYS  50          HZ2       LYS  50 -18.477  -4.340  -7.457
  414   3HZ   LYS  50          HZ3       LYS  50 -18.064  -5.163  -6.033
  415    H    GLY  51           HN       GLY  51 -18.639   1.453  -2.418
  416   1HA   GLY  51          HA1       GLY  51 -20.750   1.612  -1.500
  417   2HA   GLY  51          HA2       GLY  51 -20.600  -0.041  -0.929
  418    H    ILE  52           HN       ILE  52 -17.962   1.980  -0.108
  419    HA   ILE  52           HA       ILE  52 -19.068   2.244   2.619
  420    HB   ILE  52           HB       ILE  52 -16.136   2.190   1.934
  421   1HG1  ILE  52          HG12      ILE  52 -17.172   0.076   1.196
  422   2HG1  ILE  52          HG13      ILE  52 -16.100  -0.163   2.564
  423   1HG2  ILE  52          HG21      ILE  52 -15.889   1.623   4.307
  424   2HG2  ILE  52          HG22      ILE  52 -16.711   3.169   4.082
  425   3HG2  ILE  52          HG23      ILE  52 -17.639   1.729   4.507
  426   1HD1  ILE  52          HD11      ILE  52 -19.100  -0.035   2.662
  427   2HD1  ILE  52          HD12      ILE  52 -18.108  -1.486   2.802
  428   3HD1  ILE  52          HD13      ILE  52 -18.040  -0.247   4.057
  429    H    ILE  53           HN       ILE  53 -19.921   4.312   2.439
  430    HA   ILE  53           HA       ILE  53 -18.389   6.436   1.243
  431    HB   ILE  53           HB       ILE  53 -21.105   6.311   2.533
  432   1HG1  ILE  53          HG12      ILE  53 -21.858   6.996   0.300
  433   2HG1  ILE  53          HG13      ILE  53 -20.198   7.045  -0.259
  434   1HG2  ILE  53          HG21      ILE  53 -20.116   8.445   3.188
  435   2HG2  ILE  53          HG22      ILE  53 -19.731   8.789   1.501
  436   3HG2  ILE  53          HG23      ILE  53 -21.414   8.679   2.016
  437   1HD1  ILE  53          HD11      ILE  53 -21.333   5.051  -1.026
  438   2HD1  ILE  53          HD12      ILE  53 -20.022   4.641   0.082
  439   3HD1  ILE  53          HD13      ILE  53 -21.696   4.600   0.641
  440    H    ALA  54           HN       ALA  54 -19.534   5.583   4.485
  441    HA   ALA  54           HA       ALA  54 -18.304   7.859   5.722
  442   1HB   ALA  54          HB1       ALA  54 -19.390   5.328   6.949
  443   2HB   ALA  54          HB2       ALA  54 -18.957   6.800   7.824
  444   3HB   ALA  54          HB3       ALA  54 -20.295   6.818   6.673
  445    H    SER  55           HN       SER  55 -16.410   7.975   6.847
  446    HA   SER  55           HA       SER  55 -14.212   6.457   6.192
  447   1HB   SER  55          HB2       SER  55 -13.307   7.387   8.441
  448   2HB   SER  55          HB3       SER  55 -13.786   8.533   7.188
  449    HG   SER  55           HG       SER  55 -15.655   7.685   9.127
  450    H    LYS  56           HN       LYS  56 -14.073   4.314   6.402
  451    HA   LYS  56           HA       LYS  56 -14.565   3.097   9.019
  452   1HB   LYS  56          HB2       LYS  56 -16.675   2.838   7.897
  453   2HB   LYS  56          HB3       LYS  56 -15.886   2.291   6.427
  454   1HG   LYS  56          HG2       LYS  56 -15.174   0.249   7.580
  455   2HG   LYS  56          HG3       LYS  56 -15.995   0.800   9.042
  456   1HD   LYS  56          HD2       LYS  56 -18.124   0.698   7.983
  457   2HD   LYS  56          HD3       LYS  56 -17.392   0.455   6.397
  458   1HE   LYS  56          HE2       LYS  56 -18.295  -1.630   7.249
  459   2HE   LYS  56          HE3       LYS  56 -16.540  -1.718   7.127
  460   1HZ   LYS  56          HZ1       LYS  56 -17.433  -2.673   9.191
  461   2HZ   LYS  56          HZ2       LYS  56 -18.018  -1.145   9.641
  462   3HZ   LYS  56          HZ3       LYS  56 -16.349  -1.403   9.480
  463    H    ASN  57           HN       ASN  57 -13.091   1.586   9.513
  464    HA   ASN  57           HA       ASN  57 -11.013   0.985   7.575
  465   1HB   ASN  57          HB2       ASN  57 -11.350   0.178  10.475
  466   2HB   ASN  57          HB3       ASN  57  -9.947  -0.213   9.491
  467   1HD2  ASN  57          HD21      ASN  57 -10.165   1.334  11.944
  468   2HD2  ASN  57          HD22      ASN  57  -9.485   2.880  11.580
  469    H    VAL  58           HN       VAL  58 -11.323  -0.642   6.175
  470    HA   VAL  58           HA       VAL  58 -12.905  -2.931   7.124
  471    HB   VAL  58           HB       VAL  58 -13.679  -3.353   4.953
  472   1HG1  VAL  58          HG11      VAL  58 -13.665  -0.374   5.338
  473   2HG1  VAL  58          HG12      VAL  58 -14.734  -1.251   4.244
  474   3HG1  VAL  58          HG13      VAL  58 -14.840  -1.519   5.985
  475   1HG2  VAL  58          HG21      VAL  58 -12.914  -2.231   2.939
  476   2HG2  VAL  58          HG22      VAL  58 -11.729  -1.329   3.889
  477   3HG2  VAL  58          HG23      VAL  58 -11.591  -3.082   3.742
  478    H    LEU  59           HN       LEU  59 -11.989  -4.833   7.240
  479    HA   LEU  59           HA       LEU  59  -9.221  -5.131   6.405
  480   1HB   LEU  59          HB2       LEU  59 -10.031  -5.622   8.741
  481   2HB   LEU  59          HB3       LEU  59 -10.949  -6.952   8.081
  482    HG   LEU  59           HG       LEU  59  -8.661  -7.393   9.211
  483   1HD1  LEU  59          HD11      LEU  59  -9.974  -9.096   8.109
  484   2HD1  LEU  59          HD12      LEU  59  -9.330  -8.593   6.547
  485   3HD1  LEU  59          HD13      LEU  59  -8.257  -9.293   7.758
  486   1HD2  LEU  59          HD21      LEU  59  -6.770  -7.367   7.698
  487   2HD2  LEU  59          HD22      LEU  59  -7.764  -6.597   6.461
  488   3HD2  LEU  59          HD23      LEU  59  -7.401  -5.741   7.959
  489    H    THR  60           HN       THR  60  -8.584  -6.584   4.857
  490    HA   THR  60           HA       THR  60 -10.621  -7.335   2.989
  491    HB   THR  60           HB       THR  60  -8.772  -8.290   1.643
  492    HG1  THR  60           HG1      THR  60  -7.078  -8.883   2.746
  493   1HG2  THR  60          HG21      THR  60  -8.267  -5.519   2.725
  494   2HG2  THR  60          HG22      THR  60  -9.332  -5.941   1.385
  495   3HG2  THR  60          HG23      THR  60  -7.590  -6.169   1.233
  496    H    THR  61           HN       THR  61 -11.463  -9.264   2.544
  497    HA   THR  61           HA       THR  61 -11.500 -11.206   4.592
  498    HB   THR  61           HB       THR  61 -12.837 -12.518   2.879
  499    HG1  THR  61           HG1      THR  61 -12.979 -11.756   0.884
  500   1HG2  THR  61          HG21      THR  61 -14.736 -10.940   2.946
  501   2HG2  THR  61          HG22      THR  61 -13.631  -9.661   3.459
  502   3HG2  THR  61          HG23      THR  61 -13.917 -11.056   4.504
  503    H    SER  62           HN       SER  62  -9.585 -10.819   1.756
  504    HA   SER  62           HA       SER  62  -8.423 -13.491   2.123
  505   1HB   SER  62          HB2       SER  62  -8.797 -12.118  -0.546
  506   2HB   SER  62          HB3       SER  62  -8.234 -13.764  -0.264
  507    HG   SER  62           HG       SER  62 -10.447 -13.897   0.877
  508    H    GLU  63           HN       GLU  63  -6.200 -13.675   1.379
  509    HA   GLU  63           HA       GLU  63  -4.659 -11.355   2.032
  510   1HB   GLU  63          HB2       GLU  63  -3.701 -14.029   1.003
  511   2HB   GLU  63          HB3       GLU  63  -2.719 -12.790   1.755
  512   1HG   GLU  63          HG2       GLU  63  -3.007 -14.257   3.481
  513   2HG   GLU  63          HG3       GLU  63  -4.304 -13.108   3.782
  514    H    PHE  64           HN       PHE  64  -3.355 -10.157   0.740
  515    HA   PHE  64           HA       PHE  64  -3.614 -10.581  -2.163
  516   1HB   PHE  64          HB2       PHE  64  -3.388  -8.044  -0.559
  517   2HB   PHE  64          HB3       PHE  64  -3.028  -8.085  -2.278
  518    HD1  PHE  64           HD1      PHE  64  -4.722  -7.900  -3.848
  519    HD2  PHE  64           HD2      PHE  64  -5.715  -8.795   0.191
  520    HE1  PHE  64           HE1      PHE  64  -7.108  -7.601  -4.372
  521    HE2  PHE  64           HE2      PHE  64  -8.104  -8.499  -0.325
  522    HZ   PHE  64           HZ       PHE  64  -8.800  -7.899  -2.610
  523    H    TYR  65           HN       TYR  65  -1.708  -9.618  -3.382
  524    HA   TYR  65           HA       TYR  65   0.669 -10.827  -2.246
  525   1HB   TYR  65          HB2       TYR  65   0.372  -9.432  -4.912
  526   2HB   TYR  65          HB3       TYR  65   1.657 -10.532  -4.430
  527    HD1  TYR  65           HD1      TYR  65  -1.375 -10.243  -6.168
  528    HD2  TYR  65           HD2      TYR  65   0.841 -12.952  -3.751
  529    HE1  TYR  65           HE1      TYR  65  -2.657 -12.117  -7.109
  530    HE2  TYR  65           HE2      TYR  65  -0.442 -14.836  -4.675
  531    HH   TYR  65           HH       TYR  65  -2.422 -15.347  -5.838
  532    H    LEU  66           HN       LEU  66   1.604  -9.563  -0.729
  533    HA   LEU  66           HA       LEU  66   1.740  -6.680  -1.243
  534   1HB   LEU  66          HB2       LEU  66   2.222  -8.164   1.333
  535   2HB   LEU  66          HB3       LEU  66   2.109  -6.426   1.133
  536    HG   LEU  66           HG       LEU  66  -0.143  -8.375   0.664
  537   1HD1  LEU  66          HD11      LEU  66  -1.107  -7.370   2.690
  538   2HD1  LEU  66          HD12      LEU  66   0.399  -8.232   3.010
  539   3HD1  LEU  66          HD13      LEU  66   0.391  -6.470   2.931
  540   1HD2  LEU  66          HD21      LEU  66  -0.093  -5.359   0.644
  541   2HD2  LEU  66          HD22      LEU  66  -0.329  -6.411  -0.753
  542   3HD2  LEU  66          HD23      LEU  66  -1.540  -6.363   0.528
  543    H    SER  67           HN       SER  67   3.629  -5.560  -1.159
  544    HA   SER  67           HA       SER  67   6.102  -7.066  -0.649
  545   1HB   SER  67          HB2       SER  67   5.689  -4.932  -2.767
  546   2HB   SER  67          HB3       SER  67   7.214  -5.740  -2.408
  547    HG   SER  67           HG       SER  67   6.497  -6.990  -3.980
  548    H    ASP  68           HN       ASP  68   6.885  -6.291   1.186
  549    HA   ASP  68           HA       ASP  68   6.187  -3.543   1.949
  550   1HB   ASP  68          HB2       ASP  68   5.381  -5.330   3.432
  551   2HB   ASP  68          HB3       ASP  68   7.036  -5.880   3.674
  552    H    CYS  69           HN       CYS  69   7.709  -2.098   1.692
  553    HA   CYS  69           HA       CYS  69  10.509  -2.915   1.588
  554   1HB   CYS  69          HB2       CYS  69   9.172  -0.269   0.984
  555   2HB   CYS  69          HB3       CYS  69  10.877  -0.618   0.731
  556    H    ASN  70           HN       ASN  70  11.750  -2.763   3.338
  557    HA   ASN  70           HA       ASN  70  11.033  -0.777   5.412
  558   1HB   ASN  70          HB2       ASN  70  12.157  -3.568   5.790
  559   2HB   ASN  70          HB3       ASN  70  12.020  -2.364   7.069
  560   1HD2  ASN  70          HD21      ASN  70  10.260  -4.478   4.930
  561   2HD2  ASN  70          HD22      ASN  70   8.744  -4.384   5.769
  562    H    VAL  71           HN       VAL  71  12.671   0.374   6.315
  563    HA   VAL  71           HA       VAL  71  15.065   0.693   4.838
  564    HB   VAL  71           HB       VAL  71  13.902   2.469   6.183
  565   1HG1  VAL  71          HG11      VAL  71  13.472   1.233   8.217
  566   2HG1  VAL  71          HG12      VAL  71  15.203   1.064   8.509
  567   3HG1  VAL  71          HG13      VAL  71  14.450   2.657   8.570
  568   1HG2  VAL  71          HG21      VAL  71  16.840   2.039   6.717
  569   2HG2  VAL  71          HG22      VAL  71  16.132   2.842   5.315
  570   3HG2  VAL  71          HG23      VAL  71  15.983   3.568   6.917
  571    H    THR  72           HN       THR  72  17.084   0.024   5.173
  572    HA   THR  72           HA       THR  72  17.411  -2.243   6.981
  573    HB   THR  72           HB       THR  72  19.544  -2.604   5.737
  574    HG1  THR  72           HG1      THR  72  18.592  -0.445   4.118
  575   1HG2  THR  72          HG21      THR  72  18.509  -3.326   3.636
  576   2HG2  THR  72          HG22      THR  72  17.081  -2.360   4.008
  577   3HG2  THR  72          HG23      THR  72  17.503  -3.737   5.025
  578    H    SER  73           HN       SER  73  20.368  -1.740   6.798
  579    HA   SER  73           HA       SER  73  20.599  -0.292   9.273
  580   1HB   SER  73          HB2       SER  73  23.090  -0.836   8.869
  581   2HB   SER  73          HB3       SER  73  21.991  -2.189   9.139
  582    HG   SER  73           HG       SER  73  23.421  -2.486   7.337
  583    H    ARG  74           HN       ARG  74  21.068   0.249   5.898
  584    HA   ARG  74           HA       ARG  74  22.342   2.813   6.388
  585   1HB   ARG  74          HB2       ARG  74  23.433   1.722   4.634
  586   2HB   ARG  74          HB3       ARG  74  21.931   1.097   3.965
  587   1HG   ARG  74          HG2       ARG  74  21.308   3.321   3.251
  588   2HG   ARG  74          HG3       ARG  74  22.800   3.978   3.927
  589   1HD   ARG  74          HD2       ARG  74  24.122   2.763   2.355
  590   2HD   ARG  74          HD3       ARG  74  22.722   1.842   1.804
  591    HE   ARG  74           HE       ARG  74  22.540   4.721   1.465
  592   1HH1  ARG  74          HH12      ARG  74  23.518   1.684   0.012
  593   2HH1  ARG  74          HH11      ARG  74  23.258   2.237  -1.615
  594   1HH2  ARG  74          HH22      ARG  74  22.183   5.436  -0.693
  595   2HH2  ARG  74          HH21      ARG  74  22.524   4.350  -2.015
  596    HA   PRO  75           HA       PRO  75  18.405   4.769   6.290
  597   1HB   PRO  75          HB2       PRO  75  19.240   7.320   5.804
  598   2HB   PRO  75          HB3       PRO  75  19.343   6.540   7.386
  599   1HG   PRO  75          HG2       PRO  75  21.467   6.937   5.325
  600   2HG   PRO  75          HG3       PRO  75  21.576   7.059   7.089
  601   1HD   PRO  75          HD2       PRO  75  22.446   4.899   5.696
  602   2HD   PRO  75          HD3       PRO  75  21.824   4.789   7.352
  603    H    CYS  76           HN       CYS  76  16.943   4.871   4.759
  604    HA   CYS  76           HA       CYS  76  15.858   5.231   2.817
  605   1HB   CYS  76          HB2       CYS  76  17.014   7.470   2.914
  606   2HB   CYS  76          HB3       CYS  76  18.255   6.806   1.863
  607    H    LYS  77           HN       LYS  77  18.171   3.159   3.229
  608    HA   LYS  77           HA       LYS  77  17.832   2.102   0.509
  609   1HB   LYS  77          HB2       LYS  77  20.226   2.440   1.270
  610   2HB   LYS  77          HB3       LYS  77  19.923   1.246   2.525
  611   1HG   LYS  77          HG2       LYS  77  19.402   0.570  -0.326
  612   2HG   LYS  77          HG3       LYS  77  21.049   0.542   0.300
  613   1HD   LYS  77          HD2       LYS  77  20.482  -1.112   1.925
  614   2HD   LYS  77          HD3       LYS  77  18.760  -0.942   1.579
  615   1HE   LYS  77          HE2       LYS  77  20.790  -1.898  -0.430
  616   2HE   LYS  77          HE3       LYS  77  19.846  -2.978   0.596
  617   1HZ   LYS  77          HZ1       LYS  77  18.796  -2.773  -1.533
  618   2HZ   LYS  77          HZ2       LYS  77  18.776  -1.080  -1.431
  619   3HZ   LYS  77          HZ3       LYS  77  17.823  -2.005  -0.379
  620    H    TYR  78           HN       TYR  78  16.665   0.218   0.344
  621    HA   TYR  78           HA       TYR  78  15.544  -0.684   2.925
  622   1HB   TYR  78          HB2       TYR  78  14.027  -0.443   0.329
  623   2HB   TYR  78          HB3       TYR  78  13.369  -0.739   1.939
  624    HD1  TYR  78           HD1      TYR  78  13.304   1.054   3.600
  625    HD2  TYR  78           HD2      TYR  78  14.624   1.771  -0.377
  626    HE1  TYR  78           HE1      TYR  78  12.980   3.462   3.934
  627    HE2  TYR  78           HE2      TYR  78  14.306   4.187  -0.052
  628    HH   TYR  78           HH       TYR  78  13.686   5.536   3.049
  629    H    LYS  79           HN       LYS  79  14.409  -2.721   2.844
  630    HA   LYS  79           HA       LYS  79  15.568  -4.642   0.932
  631   1HB   LYS  79          HB2       LYS  79  16.513  -4.955   3.168
  632   2HB   LYS  79          HB3       LYS  79  14.900  -5.018   3.859
  633   1HG   LYS  79          HG2       LYS  79  14.442  -7.082   2.732
  634   2HG   LYS  79          HG3       LYS  79  16.002  -7.017   1.909
  635   1HD   LYS  79          HD2       LYS  79  16.040  -8.531   3.849
  636   2HD   LYS  79          HD3       LYS  79  17.157  -7.178   4.041
  637   1HE   LYS  79          HE2       LYS  79  15.426  -6.013   5.386
  638   2HE   LYS  79          HE3       LYS  79  14.423  -7.458   5.278
  639   1HZ   LYS  79          HZ1       LYS  79  16.100  -8.702   6.445
  640   2HZ   LYS  79          HZ2       LYS  79  15.683  -7.335   7.354
  641   3HZ   LYS  79          HZ3       LYS  79  17.137  -7.359   6.478
  642    H    LEU  80           HN       LEU  80  14.118  -5.877  -0.138
  643    HA   LEU  80           HA       LEU  80  11.344  -5.152   0.087
  644   1HB   LEU  80          HB2       LEU  80  12.433  -5.477  -2.089
  645   2HB   LEU  80          HB3       LEU  80  12.717  -7.156  -1.709
  646    HG   LEU  80           HG       LEU  80  10.256  -7.467  -1.611
  647   1HD1  LEU  80          HD11      LEU  80  10.212  -4.692  -2.754
  648   2HD1  LEU  80          HD12      LEU  80   8.825  -5.769  -2.597
  649   3HD1  LEU  80          HD13      LEU  80   9.638  -5.163  -1.155
  650   1HD2  LEU  80          HD21      LEU  80  11.366  -6.428  -4.209
  651   2HD2  LEU  80          HD22      LEU  80  11.538  -8.071  -3.591
  652   3HD2  LEU  80          HD23      LEU  80   9.945  -7.459  -4.032
  653    H    LYS  81           HN       LYS  81   9.659  -6.389   0.777
  654    HA   LYS  81           HA       LYS  81  10.285  -9.066   1.828
  655   1HB   LYS  81          HB2       LYS  81  10.070  -7.331   3.638
  656   2HB   LYS  81          HB3       LYS  81   8.410  -7.077   3.123
  657   1HG   LYS  81          HG2       LYS  81   7.902  -9.419   3.649
  658   2HG   LYS  81          HG3       LYS  81   9.563  -9.644   4.198
  659   1HD   LYS  81          HD2       LYS  81   8.345  -9.251   6.161
  660   2HD   LYS  81          HD3       LYS  81   9.103  -7.699   5.797
  661   1HE   LYS  81          HE2       LYS  81   6.945  -7.103   4.597
  662   2HE   LYS  81          HE3       LYS  81   6.244  -8.525   5.366
  663   1HZ   LYS  81          HZ1       LYS  81   5.730  -6.749   6.772
  664   2HZ   LYS  81          HZ2       LYS  81   7.267  -6.062   6.638
  665   3HZ   LYS  81          HZ3       LYS  81   7.057  -7.492   7.530
  666    H    LYS  82           HN       LYS  82   9.327 -10.314   0.344
  667    HA   LYS  82           HA       LYS  82   6.720  -9.636  -0.733
  668   1HB   LYS  82          HB2       LYS  82   8.605 -11.950  -1.186
  669   2HB   LYS  82          HB3       LYS  82   7.032 -11.824  -1.961
  670   1HG   LYS  82          HG2       LYS  82   7.710  -9.773  -3.061
  671   2HG   LYS  82          HG3       LYS  82   9.270  -9.829  -2.237
  672   1HD   LYS  82          HD2       LYS  82   9.943 -11.746  -3.420
  673   2HD   LYS  82          HD3       LYS  82   8.303 -12.072  -3.976
  674   1HE   LYS  82          HE2       LYS  82   8.373 -10.032  -5.337
  675   2HE   LYS  82          HE3       LYS  82  10.022  -9.734  -4.792
  676   1HZ   LYS  82          HZ1       LYS  82   9.169 -12.159  -6.281
  677   2HZ   LYS  82          HZ2       LYS  82  10.756 -11.713  -5.883
  678   3HZ   LYS  82          HZ3       LYS  82   9.877 -10.793  -7.001
  679    H    SER  83           HN       SER  83   4.911 -10.159   0.292
  680    HA   SER  83           HA       SER  83   4.698 -12.764   1.567
  681   1HB   SER  83          HB2       SER  83   4.068 -10.210   3.074
  682   2HB   SER  83          HB3       SER  83   3.847 -11.854   3.671
  683    HG   SER  83           HG       SER  83   6.355 -11.624   2.834
  684    H    THR  84           HN       THR  84   2.624 -13.570   1.574
  685    HA   THR  84           HA       THR  84   0.578 -11.903   0.270
  686    HB   THR  84           HB       THR  84   0.301 -14.853   0.823
  687    HG1  THR  84           HG1      THR  84   2.192 -13.723  -0.698
  688   1HG2  THR  84          HG21      THR  84  -0.782 -13.036  -1.340
  689   2HG2  THR  84          HG22      THR  84  -1.686 -13.665   0.037
  690   3HG2  THR  84          HG23      THR  84  -1.095 -14.765  -1.209
  691    H    ASN  85           HN       ASN  85  -0.760 -10.895   1.635
  692    HA   ASN  85           HA       ASN  85  -1.827 -12.265   3.938
  693   1HB   ASN  85          HB2       ASN  85   0.462 -11.066   4.538
  694   2HB   ASN  85          HB3       ASN  85  -0.580  -9.659   4.568
  695   1HD2  ASN  85          HD21      ASN  85  -0.044  -9.533   6.810
  696   2HD2  ASN  85          HD22      ASN  85  -0.876 -10.520   7.960
  697    H    LYS  86           HN       LYS  86  -3.606 -11.134   4.912
  698    HA   LYS  86           HA       LYS  86  -5.075  -9.466   3.121
  699   1HB   LYS  86          HB2       LYS  86  -5.637  -9.730   6.064
  700   2HB   LYS  86          HB3       LYS  86  -6.778  -9.512   4.747
  701   1HG   LYS  86          HG2       LYS  86  -6.243 -11.816   3.978
  702   2HG   LYS  86          HG3       LYS  86  -5.241 -12.013   5.418
  703   1HD   LYS  86          HD2       LYS  86  -7.302 -11.364   6.746
  704   2HD   LYS  86          HD3       LYS  86  -8.197 -11.571   5.250
  705   1HE   LYS  86          HE2       LYS  86  -6.436 -13.732   6.344
  706   2HE   LYS  86          HE3       LYS  86  -8.112 -13.554   6.862
  707   1HZ   LYS  86          HZ1       LYS  86  -8.095 -15.113   5.118
  708   2HZ   LYS  86          HZ2       LYS  86  -7.100 -14.156   4.136
  709   3HZ   LYS  86          HZ3       LYS  86  -8.703 -13.684   4.440
  710    H    PHE  87           HN       PHE  87  -5.988  -7.292   4.081
  711    HA   PHE  87           HA       PHE  87  -4.274  -5.967   5.970
  712   1HB   PHE  87          HB2       PHE  87  -3.619  -4.110   4.466
  713   2HB   PHE  87          HB3       PHE  87  -2.894  -5.646   4.010
  714    HD1  PHE  87           HD1      PHE  87  -3.425  -6.693   1.925
  715    HD2  PHE  87           HD2      PHE  87  -5.381  -3.102   3.096
  716    HE1  PHE  87           HE1      PHE  87  -4.265  -6.404  -0.367
  717    HE2  PHE  87           HE2      PHE  87  -6.227  -2.811   0.805
  718    HZ   PHE  87           HZ       PHE  87  -5.669  -4.464  -0.931
  719    H    CYS  88           HN       CYS  88  -5.136  -3.987   6.729
  720    HA   CYS  88           HA       CYS  88  -7.984  -3.680   6.065
  721   1HB   CYS  88          HB2       CYS  88  -7.042  -4.061   8.514
  722   2HB   CYS  88          HB3       CYS  88  -6.687  -2.341   8.410
  723    H    VAL  89           HN       VAL  89  -8.593  -1.959   4.935
  724    HA   VAL  89           HA       VAL  89  -6.750   0.334   4.818
  725    HB   VAL  89           HB       VAL  89  -7.955   0.896   2.646
  726   1HG1  VAL  89          HG11      VAL  89  -6.584  -0.679   1.333
  727   2HG1  VAL  89          HG12      VAL  89  -5.691   0.053   2.666
  728   3HG1  VAL  89          HG13      VAL  89  -6.277  -1.604   2.802
  729   1HG2  VAL  89          HG21      VAL  89  -9.018  -0.962   1.453
  730   2HG2  VAL  89          HG22      VAL  89  -8.827  -1.986   2.877
  731   3HG2  VAL  89          HG23      VAL  89  -9.885  -0.580   2.942
  732    H    THR  90           HN       THR  90  -7.533   2.365   5.171
  733    HA   THR  90           HA       THR  90 -10.099   2.562   6.466
  734    HB   THR  90           HB       THR  90  -8.147   4.759   5.724
  735    HG1  THR  90           HG1      THR  90  -8.497   3.254   8.130
  736   1HG2  THR  90          HG21      THR  90  -9.327   6.069   7.435
  737   2HG2  THR  90          HG22      THR  90 -10.464   4.739   7.664
  738   3HG2  THR  90          HG23      THR  90 -10.408   5.596   6.124
  739    H    CYS  91           HN       CYS  91 -11.840   2.492   5.164
  740    HA   CYS  91           HA       CYS  91 -11.694   3.610   2.485
  741   1HB   CYS  91          HB2       CYS  91 -13.914   2.110   3.881
  742   2HB   CYS  91          HB3       CYS  91 -13.858   2.515   2.166
  743    H    GLU  92           HN       GLU  92 -12.590   5.449   1.848
  744    HA   GLU  92           HA       GLU  92 -14.804   6.589   3.349
  745   1HB   GLU  92          HB2       GLU  92 -12.557   7.506   4.215
  746   2HB   GLU  92          HB3       GLU  92 -12.438   8.320   2.668
  747   1HG   GLU  92          HG2       GLU  92 -14.601   9.425   3.122
  748   2HG   GLU  92          HG3       GLU  92 -14.598   8.682   4.721
  749    H    ASN  93           HN       ASN  93 -16.292   7.272   1.955
  750    HA   ASN  93           HA       ASN  93 -17.360   7.793   0.021
  751   1HB   ASN  93          HB2       ASN  93 -14.701   9.028  -0.738
  752   2HB   ASN  93          HB3       ASN  93 -16.226   9.304  -1.573
  753   1HD2  ASN  93          HD21      ASN  93 -14.286  10.061   1.150
  754   2HD2  ASN  93          HD22      ASN  93 -15.314  11.277   1.829
  755    H    GLN  94           HN       GLN  94 -16.224   5.265   0.283
  756    HA   GLN  94           HA       GLN  94 -15.973   3.344  -0.868
  757   1HB   GLN  94          HB2       GLN  94 -16.744   4.974  -3.289
  758   2HB   GLN  94          HB3       GLN  94 -16.728   3.220  -3.189
  759   1HG   GLN  94          HG2       GLN  94 -18.421   3.426  -1.339
  760   2HG   GLN  94          HG3       GLN  94 -18.544   5.133  -1.761
  761   1HE2  GLN  94          HE21      GLN  94 -18.037   4.454  -4.589
  762   2HE2  GLN  94          HE22      GLN  94 -19.542   3.849  -5.195
  763    H    ALA  95           HN       ALA  95 -13.759   5.262  -0.567
  764    HA   ALA  95           HA       ALA  95 -11.959   3.885  -2.409
  765   1HB   ALA  95          HB1       ALA  95 -11.932   6.882  -2.040
  766   2HB   ALA  95          HB2       ALA  95 -10.782   5.940  -2.990
  767   3HB   ALA  95          HB3       ALA  95 -12.473   6.028  -3.485
  768    HA   PRO  96           HA       PRO  96  -9.564   3.457   1.358
  769   1HB   PRO  96          HB2       PRO  96  -7.356   3.026  -0.555
  770   2HB   PRO  96          HB3       PRO  96  -7.936   1.981   0.745
  771   1HG   PRO  96          HG2       PRO  96  -8.395   1.429  -1.854
  772   2HG   PRO  96          HG3       PRO  96  -9.548   1.010  -0.581
  773   1HD   PRO  96          HD2       PRO  96  -9.659   3.194  -2.583
  774   2HD   PRO  96          HD3       PRO  96 -10.974   2.262  -1.850
  775    H    VAL  97           HN       VAL  97  -8.912   5.221   2.439
  776    HA   VAL  97           HA       VAL  97  -7.374   7.264   0.976
  777    HB   VAL  97           HB       VAL  97  -8.145   8.899   2.638
  778   1HG1  VAL  97          HG11      VAL  97 -10.359   7.334   1.320
  779   2HG1  VAL  97          HG12      VAL  97 -10.519   8.965   1.969
  780   3HG1  VAL  97          HG13      VAL  97  -9.435   8.658   0.612
  781   1HG2  VAL  97          HG21      VAL  97  -9.782   6.618   3.734
  782   2HG2  VAL  97          HG22      VAL  97  -8.434   7.415   4.542
  783   3HG2  VAL  97          HG23      VAL  97  -9.921   8.308   4.221
  784    H    HIS  98           HN       HIS  98  -7.396   5.210   3.778
  785    HA   HIS  98           HA       HIS  98  -4.654   6.077   4.388
  786   1HB   HIS  98          HB2       HIS  98  -6.945   5.787   6.310
  787   2HB   HIS  98          HB3       HIS  98  -5.295   5.519   6.853
  788    HD1  HIS  98           HD1      HIS  98  -4.183   7.504   7.760
  789    HD2  HIS  98           HD2      HIS  98  -7.237   8.522   5.130
  790    HE1  HIS  98           HE1      HIS  98  -4.332  10.013   7.831
  791    HE2  HIS  98           HE2      HIS  98  -6.384  10.560   6.476
  792    H    PHE  99           HN       PHE  99  -3.351   4.436   5.391
  793    HA   PHE  99           HA       PHE  99  -4.392   1.729   4.876
  794   1HB   PHE  99          HB2       PHE  99  -2.422   2.467   3.500
  795   2HB   PHE  99          HB3       PHE  99  -1.492   2.589   4.989
  796    HD1  PHE  99           HD1      PHE  99  -0.376   0.744   5.823
  797    HD2  PHE  99           HD2      PHE  99  -3.463   0.186   2.947
  798    HE1  PHE  99           HE1      PHE  99   0.212  -1.637   5.665
  799    HE2  PHE  99           HE2      PHE  99  -2.883  -2.201   2.780
  800    HZ   PHE  99           HZ       PHE  99  -1.062  -3.119   4.108
  801    H    VAL 100           HN       VAL 100  -4.758   0.522   6.599
  802    HA   VAL 100           HA       VAL 100  -3.995   1.531   9.203
  803    HB   VAL 100           HB       VAL 100  -5.652  -0.883   8.452
  804   1HG1  VAL 100          HG11      VAL 100  -4.722  -1.165  10.649
  805   2HG1  VAL 100          HG12      VAL 100  -5.227   0.462  11.114
  806   3HG1  VAL 100          HG13      VAL 100  -6.439  -0.779  10.790
  807   1HG2  VAL 100          HG21      VAL 100  -6.503   1.879   9.330
  808   2HG2  VAL 100          HG22      VAL 100  -6.683   1.202   7.712
  809   3HG2  VAL 100          HG23      VAL 100  -7.581   0.511   9.062
  810    H    GLY 101           HN       GLY 101  -3.862  -1.739   7.769
  811   1HA   GLY 101          HA1       GLY 101  -1.136  -2.190   8.099
  812   2HA   GLY 101          HA2       GLY 101  -1.918  -2.707   9.587
  813    H    VAL 102           HN       VAL 102  -0.663  -4.654   8.274
  814    HA   VAL 102           HA       VAL 102  -2.621  -5.867   6.484
  815    HB   VAL 102           HB       VAL 102  -0.983  -7.224   5.583
  816   1HG1  VAL 102          HG11      VAL 102   0.373  -4.628   6.253
  817   2HG1  VAL 102          HG12      VAL 102   0.857  -5.734   4.967
  818   3HG1  VAL 102          HG13      VAL 102  -0.712  -4.932   4.895
  819   1HG2  VAL 102          HG21      VAL 102   1.041  -6.533   7.677
  820   2HG2  VAL 102          HG22      VAL 102  -0.056  -7.906   7.845
  821   3HG2  VAL 102          HG23      VAL 102   1.069  -7.846   6.489
  822    H    GLY 103           HN       GLY 103  -3.115  -8.125   6.662
  823   1HA   GLY 103          HA1       GLY 103  -3.508 -10.090   7.895
  824   2HA   GLY 103          HA2       GLY 103  -2.847  -9.302   9.322
  825    H    SER 104           HN       SER 104  -4.130  -7.664  10.343
  826    HA   SER 104           HA       SER 104  -6.888  -7.309   9.578
  827   1HB   SER 104          HB2       SER 104  -6.120  -8.616  12.208
  828   2HB   SER 104          HB3       SER 104  -7.710  -7.946  11.858
  829    HG   SER 104           HG       SER 104  -6.988  -9.614   9.881
  830    H    CYS 105           HN       CYS 105  -7.842  -5.531  10.814
  831    HA   CYS 105           HA       CYS 105  -5.755  -3.735  11.732
  832   1HB   CYS 105          HB2       CYS 105  -7.809  -2.111  11.771
  833   2HB   CYS 105          HB3       CYS 105  -7.001  -2.539  10.269
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1  -6.665  16.082  -0.208
    2   2H    MET   1           H2       MET   1  -6.999  14.942   0.997
    3   3H    MET   1           H3       MET   1  -6.734  14.432  -0.598
    4    HA   MET   1           HA       MET   1  -4.456  15.190  -0.494
    5   1HB   MET   1          HB2       MET   1  -5.214  15.885   2.349
    6   2HB   MET   1          HB3       MET   1  -3.550  15.741   1.800
    7   1HG   MET   1          HG2       MET   1  -4.191  18.052   1.850
    8   2HG   MET   1          HG3       MET   1  -3.946  17.543   0.181
    9   1HE   MET   1          HE1       MET   1  -6.785  20.186  -0.210
   10   2HE   MET   1          HE2       MET   1  -5.452  20.252   0.945
   11   3HE   MET   1          HE3       MET   1  -5.167  19.684  -0.701
   12    H    GLN   2           HN       GLN   2  -5.687  13.845   2.581
   13    HA   GLN   2           HA       GLN   2  -4.241  11.376   2.085
   14   1HB   GLN   2          HB2       GLN   2  -6.073  12.211   4.344
   15   2HB   GLN   2          HB3       GLN   2  -5.335  10.622   4.228
   16   1HG   GLN   2          HG2       GLN   2  -4.008  11.828   5.725
   17   2HG   GLN   2          HG3       GLN   2  -3.104  11.799   4.213
   18   1HE2  GLN   2          HE21      GLN   2  -4.978  13.756   6.404
   19   2HE2  GLN   2          HE22      GLN   2  -4.465  15.290   5.778
   20    H    ASP   3           HN       ASP   3  -5.334  10.871   0.122
   21    HA   ASP   3           HA       ASP   3  -7.895   9.565   0.521
   22   1HB   ASP   3          HB2       ASP   3  -8.969  10.712  -1.350
   23   2HB   ASP   3          HB3       ASP   3  -8.494  11.871  -0.116
   24    H    TRP   4           HN       TRP   4  -8.519   9.114  -2.101
   25    HA   TRP   4           HA       TRP   4  -7.185   6.739  -2.542
   26   1HB   TRP   4          HB2       TRP   4  -9.442   7.272  -3.356
   27   2HB   TRP   4          HB3       TRP   4  -8.754   8.395  -4.524
   28    HD1  TRP   4           HD1      TRP   4  -9.031   7.321  -6.825
   29    HE1  TRP   4           HE1      TRP   4  -8.604   4.993  -7.843
   30    HE3  TRP   4           HE3      TRP   4  -7.639   4.828  -2.582
   31    HZ2  TRP   4           HZ2      TRP   4  -7.776   2.447  -6.954
   32    HZ3  TRP   4           HZ3      TRP   4  -7.053   2.444  -2.754
   33    HH2  TRP   4           HH2      TRP   4  -7.113   1.285  -4.897
   34    H    LEU   5           HN       LEU   5  -6.556   9.916  -4.012
   35    HA   LEU   5           HA       LEU   5  -4.856   8.982  -6.056
   36   1HB   LEU   5          HB2       LEU   5  -5.197  11.633  -4.705
   37   2HB   LEU   5          HB3       LEU   5  -3.919  11.393  -5.878
   38    HG   LEU   5           HG       LEU   5  -5.846  12.431  -6.914
   39   1HD1  LEU   5          HD11      LEU   5  -6.195  10.859  -8.759
   40   2HD1  LEU   5          HD12      LEU   5  -4.498  10.968  -8.288
   41   3HD1  LEU   5          HD13      LEU   5  -5.465   9.580  -7.790
   42   1HD2  LEU   5          HD21      LEU   5  -7.599  11.587  -5.451
   43   2HD2  LEU   5          HD22      LEU   5  -7.975  11.271  -7.145
   44   3HD2  LEU   5          HD23      LEU   5  -7.380   9.969  -6.115
   45    H    THR   6           HN       THR   6  -4.089  10.236  -2.816
   46    HA   THR   6           HA       THR   6  -1.283   9.840  -3.125
   47    HB   THR   6           HB       THR   6  -2.879  10.210  -0.579
   48    HG1  THR   6           HG1      THR   6  -2.827  12.303  -1.019
   49   1HG2  THR   6          HG21      THR   6  -0.625   9.322  -0.181
   50   2HG2  THR   6          HG22      THR   6  -0.756  10.992   0.370
   51   3HG2  THR   6          HG23      THR   6   0.063  10.625  -1.148
   52    H    PHE   7           HN       PHE   7  -3.942   7.969  -1.798
   53    HA   PHE   7           HA       PHE   7  -2.489   5.952  -0.511
   54   1HB   PHE   7          HB2       PHE   7  -4.979   6.296  -0.379
   55   2HB   PHE   7          HB3       PHE   7  -5.109   5.609  -1.993
   56    HD1  PHE   7           HD1      PHE   7  -4.637   4.921   1.528
   57    HD2  PHE   7           HD2      PHE   7  -4.583   3.235  -2.380
   58    HE1  PHE   7           HE1      PHE   7  -4.741   2.666   2.503
   59    HE2  PHE   7           HE2      PHE   7  -4.691   0.973  -1.409
   60    HZ   PHE   7           HZ       PHE   7  -4.771   0.688   1.036
   61    H    GLN   8           HN       GLN   8  -3.550   6.297  -3.857
   62    HA   GLN   8           HA       GLN   8  -2.764   3.828  -4.856
   63   1HB   GLN   8          HB2       GLN   8  -3.188   6.531  -6.003
   64   2HB   GLN   8          HB3       GLN   8  -2.398   5.319  -6.991
   65   1HG   GLN   8          HG2       GLN   8  -4.331   3.837  -6.679
   66   2HG   GLN   8          HG3       GLN   8  -5.116   5.102  -5.727
   67   1HE2  GLN   8          HE21      GLN   8  -5.829   6.969  -6.759
   68   2HE2  GLN   8          HE22      GLN   8  -6.071   7.035  -8.476
   69    H    LYS   9           HN       LYS   9  -1.002   6.901  -5.225
   70    HA   LYS   9           HA       LYS   9   1.228   5.860  -6.473
   71   1HB   LYS   9          HB2       LYS   9   1.048   8.247  -4.640
   72   2HB   LYS   9          HB3       LYS   9   2.361   7.930  -5.768
   73   1HG   LYS   9          HG2       LYS   9   0.905   8.158  -7.637
   74   2HG   LYS   9          HG3       LYS   9  -0.514   8.247  -6.594
   75   1HD   LYS   9          HD2       LYS   9  -0.004  10.452  -7.305
   76   2HD   LYS   9          HD3       LYS   9   0.466  10.319  -5.610
   77   1HE   LYS   9          HE2       LYS   9   2.782  10.041  -6.231
   78   2HE   LYS   9          HE3       LYS   9   2.353  10.021  -7.941
   79   1HZ   LYS   9          HZ1       LYS   9   2.067  12.322  -6.082
   80   2HZ   LYS   9          HZ2       LYS   9   1.542  12.309  -7.695
   81   3HZ   LYS   9          HZ3       LYS   9   3.193  12.170  -7.341
   82    H    LYS  10           HN       LYS  10   0.426   5.906  -3.097
   83    HA   LYS  10           HA       LYS  10   3.148   5.210  -2.325
   84   1HB   LYS  10          HB2       LYS  10   0.711   6.064  -0.822
   85   2HB   LYS  10          HB3       LYS  10   2.011   5.236   0.028
   86   1HG   LYS  10          HG2       LYS  10   3.585   6.956  -0.748
   87   2HG   LYS  10          HG3       LYS  10   2.249   7.798  -1.536
   88   1HD   LYS  10          HD2       LYS  10   1.215   8.290   0.534
   89   2HD   LYS  10          HD3       LYS  10   2.254   7.158   1.404
   90   1HE   LYS  10          HE2       LYS  10   4.187   8.561   0.966
   91   2HE   LYS  10          HE3       LYS  10   3.195   9.664   0.018
   92   1HZ   LYS  10          HZ1       LYS  10   2.231  10.541   1.868
   93   2HZ   LYS  10          HZ2       LYS  10   3.757  10.156   2.503
   94   3HZ   LYS  10          HZ3       LYS  10   2.433   9.140   2.803
   95    H    HIS  11           HN       HIS  11   0.203   3.496  -2.956
   96    HA   HIS  11           HA       HIS  11   1.411   1.186  -1.591
   97   1HB   HIS  11          HB2       HIS  11  -1.459   2.058  -1.334
   98   2HB   HIS  11          HB3       HIS  11  -0.877   0.470  -0.850
   99    HD1  HIS  11           HD1      HIS  11   1.158   0.595   1.026
  100    HD2  HIS  11           HD2      HIS  11  -1.328   3.914   0.637
  101    HE1  HIS  11           HE1      HIS  11   1.439   1.908   3.153
  102    HE2  HIS  11           HE2      HIS  11  -0.166   3.839   2.948
  103    H    ILE  12           HN       ILE  12   0.069   2.306  -4.466
  104    HA   ILE  12           HA       ILE  12  -0.819  -0.389  -5.212
  105    HB   ILE  12           HB       ILE  12  -1.203   2.229  -6.675
  106   1HG1  ILE  12          HG12      ILE  12  -2.550   2.068  -4.644
  107   2HG1  ILE  12          HG13      ILE  12  -3.572   1.958  -6.069
  108   1HG2  ILE  12          HG21      ILE  12  -2.710   0.965  -8.144
  109   2HG2  ILE  12          HG22      ILE  12  -1.046   0.386  -8.243
  110   3HG2  ILE  12          HG23      ILE  12  -2.243  -0.524  -7.322
  111   1HD1  ILE  12          HD11      ILE  12  -4.267   0.390  -4.357
  112   2HD1  ILE  12          HD12      ILE  12  -3.692  -0.461  -5.792
  113   3HD1  ILE  12          HD13      ILE  12  -2.665  -0.349  -4.363
  114    H    THR  13           HN       THR  13   0.683  -1.648  -6.045
  115    HA   THR  13           HA       THR  13   2.427  -0.522  -8.117
  116    HB   THR  13           HB       THR  13   3.732  -0.829  -5.994
  117    HG1  THR  13           HG1      THR  13   4.704  -0.977  -8.099
  118   1HG2  THR  13          HG21      THR  13   2.596  -2.822  -5.137
  119   2HG2  THR  13          HG22      THR  13   4.329  -3.102  -5.311
  120   3HG2  THR  13          HG23      THR  13   3.207  -3.758  -6.503
  121    H    ASN  14           HN       ASN  14   2.995  -2.018  -9.796
  122    HA   ASN  14           HA       ASN  14   1.191  -4.351  -9.876
  123   1HB   ASN  14          HB2       ASN  14   1.033  -2.373 -11.593
  124   2HB   ASN  14          HB3       ASN  14   2.412  -3.171 -12.345
  125   1HD2  ASN  14          HD21      ASN  14  -0.229  -4.753 -10.656
  126   2HD2  ASN  14          HD22      ASN  14  -0.879  -5.570 -12.038
  127    H    THR  15           HN       THR  15   3.969  -4.105  -8.782
  128    HA   THR  15           HA       THR  15   5.017  -6.440 -10.208
  129    HB   THR  15           HB       THR  15   6.372  -4.610 -11.016
  130    HG1  THR  15           HG1      THR  15   8.413  -5.317  -9.618
  131   1HG2  THR  15          HG21      THR  15   7.690  -3.191  -9.519
  132   2HG2  THR  15          HG22      THR  15   6.932  -3.960  -8.124
  133   3HG2  THR  15          HG23      THR  15   5.961  -2.992  -9.232
  134    H    ARG  16           HN       ARG  16   5.826  -8.035  -8.896
  135    HA   ARG  16           HA       ARG  16   5.206  -7.931  -6.113
  136   1HB   ARG  16          HB2       ARG  16   6.752  -9.924  -7.772
  137   2HB   ARG  16          HB3       ARG  16   6.500 -10.122  -6.044
  138   1HG   ARG  16          HG2       ARG  16   4.301  -9.886  -8.083
  139   2HG   ARG  16          HG3       ARG  16   4.904 -11.403  -7.406
  140   1HD   ARG  16          HD2       ARG  16   3.840  -9.158  -5.717
  141   2HD   ARG  16          HD3       ARG  16   2.817 -10.450  -6.337
  142    HE   ARG  16           HE       ARG  16   4.426 -11.974  -5.081
  143   1HH1  ARG  16          HH12      ARG  16   3.810  -8.668  -4.080
  144   2HH1  ARG  16          HH11      ARG  16   3.987  -9.013  -2.390
  145   1HH2  ARG  16          HH22      ARG  16   4.644 -12.428  -2.844
  146   2HH2  ARG  16          HH21      ARG  16   4.420 -11.149  -1.693
  147    H    ASP  17           HN       ASP  17   7.941  -7.124  -7.995
  148    HA   ASP  17           HA       ASP  17   9.507  -6.677  -5.540
  149   1HB   ASP  17          HB2       ASP  17  10.409  -8.384  -7.233
  150   2HB   ASP  17          HB3       ASP  17  10.686  -7.016  -8.302
  151    H    VAL  18           HN       VAL  18   8.588  -4.630  -5.257
  152    HA   VAL  18           HA       VAL  18   8.871  -2.637  -7.317
  153    HB   VAL  18           HB       VAL  18   6.980  -2.279  -5.951
  154   1HG1  VAL  18          HG11      VAL  18   8.779  -2.504  -3.542
  155   2HG1  VAL  18          HG12      VAL  18   7.086  -2.007  -3.495
  156   3HG1  VAL  18          HG13      VAL  18   7.514  -3.634  -4.031
  157   1HG2  VAL  18          HG21      VAL  18   8.100  -0.223  -6.485
  158   2HG2  VAL  18          HG22      VAL  18   7.418  -0.103  -4.863
  159   3HG2  VAL  18          HG23      VAL  18   9.149  -0.382  -5.076
  160    H    ASP  19           HN       ASP  19  10.561  -1.294  -7.617
  161    HA   ASP  19           HA       ASP  19  12.929  -1.747  -6.086
  162   1HB   ASP  19          HB2       ASP  19  13.033  -1.232  -8.510
  163   2HB   ASP  19          HB3       ASP  19  12.452   0.395  -8.166
  164    H    CYS  20           HN       CYS  20  12.309  -1.226  -4.047
  165    HA   CYS  20           HA       CYS  20  11.234   1.086  -3.057
  166   1HB   CYS  20          HB2       CYS  20  13.515  -0.296  -1.681
  167   2HB   CYS  20          HB3       CYS  20  12.074   0.430  -0.980
  168    H    ASP  21           HN       ASP  21  14.600   0.394  -3.816
  169    HA   ASP  21           HA       ASP  21  15.960   2.480  -2.748
  170   1HB   ASP  21          HB2       ASP  21  17.120   0.761  -3.945
  171   2HB   ASP  21          HB3       ASP  21  16.345   1.214  -5.460
  172    H    ASN  22           HN       ASN  22  14.717   2.610  -6.111
  173    HA   ASN  22           HA       ASN  22  15.274   5.424  -6.260
  174   1HB   ASN  22          HB2       ASN  22  15.400   3.926  -8.224
  175   2HB   ASN  22          HB3       ASN  22  13.664   3.689  -8.134
  176   1HD2  ASN  22          HD21      ASN  22  13.348   4.526 -10.191
  177   2HD2  ASN  22          HD22      ASN  22  13.497   6.214 -10.534
  178    H    ILE  23           HN       ILE  23  12.323   3.493  -6.198
  179    HA   ILE  23           HA       ILE  23  10.540   5.605  -6.575
  180    HB   ILE  23           HB       ILE  23  10.086   2.944  -5.229
  181   1HG1  ILE  23          HG12      ILE  23   9.538   3.963  -8.028
  182   2HG1  ILE  23          HG13      ILE  23  10.789   2.813  -7.568
  183   1HG2  ILE  23          HG21      ILE  23   8.044   4.952  -6.186
  184   2HG2  ILE  23          HG22      ILE  23   7.694   3.329  -5.589
  185   3HG2  ILE  23          HG23      ILE  23   8.382   4.540  -4.504
  186   1HD1  ILE  23          HD11      ILE  23   8.885   1.710  -8.605
  187   2HD1  ILE  23          HD12      ILE  23   9.083   1.204  -6.927
  188   3HD1  ILE  23          HD13      ILE  23   7.823   2.361  -7.356
  189    H    LEU  24           HN       LEU  24  11.912   4.344  -3.555
  190    HA   LEU  24           HA       LEU  24  10.123   5.986  -1.982
  191   1HB   LEU  24          HB2       LEU  24  12.528   4.442  -1.041
  192   2HB   LEU  24          HB3       LEU  24  11.247   5.098  -0.042
  193    HG   LEU  24           HG       LEU  24  11.027   2.807  -1.991
  194   1HD1  LEU  24          HD11      LEU  24  10.519   1.497  -0.018
  195   2HD1  LEU  24          HD12      LEU  24  12.095   2.274   0.140
  196   3HD1  LEU  24          HD13      LEU  24  10.699   2.929   0.997
  197   1HD2  LEU  24          HD21      LEU  24   8.984   4.069  -2.105
  198   2HD2  LEU  24          HD22      LEU  24   8.717   2.590  -1.179
  199   3HD2  LEU  24          HD23      LEU  24   8.886   4.135  -0.343
  200    H    SER  25           HN       SER  25  13.026   6.493  -3.599
  201    HA   SER  25           HA       SER  25  14.103   8.457  -1.777
  202   1HB   SER  25          HB2       SER  25  14.810   7.729  -4.626
  203   2HB   SER  25          HB3       SER  25  15.656   8.963  -3.697
  204    HG   SER  25           HG       SER  25  15.493   6.177  -3.164
  205    H    THR  26           HN       THR  26  11.542   8.429  -3.889
  206    HA   THR  26           HA       THR  26  11.795  11.008  -5.073
  207    HB   THR  26           HB       THR  26   9.419  10.744  -5.681
  208    HG1  THR  26           HG1      THR  26   9.367   8.161  -4.567
  209   1HG2  THR  26          HG21      THR  26  11.110   9.713  -7.100
  210   2HG2  THR  26          HG22      THR  26   9.655   8.718  -7.051
  211   3HG2  THR  26          HG23      THR  26  11.072   8.255  -6.109
  212    H    ASN  27           HN       ASN  27  10.169  12.735  -4.701
  213    HA   ASN  27           HA       ASN  27  10.031  13.490  -1.952
  214   1HB   ASN  27          HB2       ASN  27   8.942  14.676  -4.515
  215   2HB   ASN  27          HB3       ASN  27   8.851  15.447  -2.953
  216   1HD2  ASN  27          HD21      ASN  27  10.188  16.259  -5.425
  217   2HD2  ASN  27          HD22      ASN  27  11.851  16.508  -5.008
  218    H    LEU  28           HN       LEU  28   8.595  11.101  -2.862
  219    HA   LEU  28           HA       LEU  28   5.806  11.785  -2.241
  220   1HB   LEU  28          HB2       LEU  28   6.199  10.773  -4.469
  221   2HB   LEU  28          HB3       LEU  28   6.945   9.389  -3.698
  222    HG   LEU  28           HG       LEU  28   4.758   8.910  -2.586
  223   1HD1  LEU  28          HD11      LEU  28   3.852  11.180  -2.722
  224   2HD1  LEU  28          HD12      LEU  28   3.744  11.024  -4.476
  225   3HD1  LEU  28          HD13      LEU  28   2.760   9.988  -3.438
  226   1HD2  LEU  28          HD21      LEU  28   5.435   7.710  -4.581
  227   2HD2  LEU  28          HD22      LEU  28   3.699   8.016  -4.615
  228   3HD2  LEU  28          HD23      LEU  28   4.785   8.994  -5.600
  229    H    PHE  29           HN       PHE  29   8.652  10.261  -1.236
  230    HA   PHE  29           HA       PHE  29   7.265   8.960   0.999
  231   1HB   PHE  29          HB2       PHE  29   9.521   7.737  -0.622
  232   2HB   PHE  29          HB3       PHE  29   8.874   7.069   0.871
  233    HD1  PHE  29           HD1      PHE  29   8.506   7.319  -2.684
  234    HD2  PHE  29           HD2      PHE  29   6.499   6.263   0.911
  235    HE1  PHE  29           HE1      PHE  29   6.845   6.055  -3.985
  236    HE2  PHE  29           HE2      PHE  29   4.835   4.997  -0.378
  237    HZ   PHE  29           HZ       PHE  29   4.997   4.895  -2.825
  238    H    HIS  30           HN       HIS  30  10.151  10.276  -0.444
  239    HA   HIS  30           HA       HIS  30  11.869  11.494   0.351
  240   1HB   HIS  30          HB2       HIS  30  10.158  11.849   2.824
  241   2HB   HIS  30          HB3       HIS  30  11.559  12.783   2.363
  242    HD1  HIS  30           HD1      HIS  30   7.982  12.875   2.187
  243    HD2  HIS  30           HD2      HIS  30  11.152  14.310  -0.093
  244    HE1  HIS  30           HE1      HIS  30   7.028  14.734   0.788
  245    HE2  HIS  30           HE2      HIS  30   9.023  15.743  -0.386
  246    H    CYS  31           HN       CYS  31  11.885   8.692   0.697
  247    HA   CYS  31           HA       CYS  31  12.940   6.991   1.736
  248   1HB   CYS  31          HB2       CYS  31  14.679   9.163   2.925
  249   2HB   CYS  31          HB3       CYS  31  15.084   7.459   2.780
  250    H    LYS  32           HN       LYS  32  10.730   7.154   2.971
  251    HA   LYS  32           HA       LYS  32  10.886   7.658   5.775
  252   1HB   LYS  32          HB2       LYS  32   8.695   6.905   5.917
  253   2HB   LYS  32          HB3       LYS  32   8.777   7.511   4.274
  254   1HG   LYS  32          HG2       LYS  32   9.214   4.606   4.869
  255   2HG   LYS  32          HG3       LYS  32   7.595   5.271   4.726
  256   1HD   LYS  32          HD2       LYS  32   7.932   4.578   2.584
  257   2HD   LYS  32          HD3       LYS  32   8.544   6.228   2.467
  258   1HE   LYS  32          HE2       LYS  32  10.006   4.540   1.401
  259   2HE   LYS  32          HE3       LYS  32  10.805   5.466   2.669
  260   1HZ   LYS  32          HZ1       LYS  32  10.556   3.636   4.173
  261   2HZ   LYS  32          HZ2       LYS  32  11.291   3.071   2.761
  262   3HZ   LYS  32          HZ3       LYS  32   9.654   2.753   3.045
  263    H    ASP  33           HN       ASP  33  10.380   5.784   7.357
  264    HA   ASP  33           HA       ASP  33  12.590   4.049   7.380
  265   1HB   ASP  33          HB2       ASP  33  11.339   4.699   9.413
  266   2HB   ASP  33          HB3       ASP  33   9.964   3.746   8.866
  267    H    LYS  34           HN       LYS  34   9.141   3.189   6.896
  268    HA   LYS  34           HA       LYS  34   9.973   1.287   4.858
  269   1HB   LYS  34          HB2       LYS  34   8.786  -0.586   5.919
  270   2HB   LYS  34          HB3       LYS  34  10.152  -0.027   6.876
  271   1HG   LYS  34          HG2       LYS  34   8.376   1.401   8.108
  272   2HG   LYS  34          HG3       LYS  34   7.232   0.252   7.405
  273   1HD   LYS  34          HD2       LYS  34   9.622  -0.446   9.092
  274   2HD   LYS  34          HD3       LYS  34   7.949  -0.422   9.646
  275   1HE   LYS  34          HE2       LYS  34   8.974  -2.168   7.409
  276   2HE   LYS  34          HE3       LYS  34   8.809  -2.702   9.081
  277   1HZ   LYS  34          HZ1       LYS  34   6.610  -1.770   7.310
  278   2HZ   LYS  34          HZ2       LYS  34   6.433  -2.212   8.937
  279   3HZ   LYS  34          HZ3       LYS  34   6.905  -3.371   7.794
  280    H    ASN  35           HN       ASN  35   8.141   0.260   3.754
  281    HA   ASN  35           HA       ASN  35   5.520   1.436   4.075
  282   1HB   ASN  35          HB2       ASN  35   6.678   3.128   2.662
  283   2HB   ASN  35          HB3       ASN  35   7.033   1.869   1.486
  284   1HD2  ASN  35          HD21      ASN  35   5.859   2.760  -0.167
  285   2HD2  ASN  35          HD22      ASN  35   4.132   2.858  -0.160
  286    H    THR  36           HN       THR  36   3.978   0.026   3.382
  287    HA   THR  36           HA       THR  36   4.913  -2.424   2.070
  288    HB   THR  36           HB       THR  36   2.246  -1.990   3.423
  289    HG1  THR  36           HG1      THR  36   4.758  -2.824   4.497
  290   1HG2  THR  36          HG21      THR  36   3.810  -4.474   2.705
  291   2HG2  THR  36          HG22      THR  36   2.322  -3.913   1.941
  292   3HG2  THR  36          HG23      THR  36   2.302  -4.455   3.619
  293    H    PHE  37           HN       PHE  37   4.585  -2.543  -0.060
  294    HA   PHE  37           HA       PHE  37   2.454  -0.963  -1.295
  295   1HB   PHE  37          HB2       PHE  37   4.694  -2.581  -2.527
  296   2HB   PHE  37          HB3       PHE  37   3.500  -1.673  -3.443
  297    HD1  PHE  37           HD1      PHE  37   6.254  -1.322  -0.976
  298    HD2  PHE  37           HD2      PHE  37   3.797   0.594  -3.884
  299    HE1  PHE  37           HE1      PHE  37   7.651   0.692  -0.831
  300    HE2  PHE  37           HE2      PHE  37   5.207   2.606  -3.750
  301    HZ   PHE  37           HZ       PHE  37   7.214   2.596  -2.295
  302    H    ILE  38           HN       ILE  38   0.979  -1.887  -2.742
  303    HA   ILE  38           HA       ILE  38   0.314  -4.690  -2.133
  304    HB   ILE  38           HB       ILE  38  -1.521  -2.488  -3.104
  305   1HG1  ILE  38          HG12      ILE  38  -1.402  -3.664  -0.323
  306   2HG1  ILE  38          HG13      ILE  38  -0.551  -2.191  -0.773
  307   1HG2  ILE  38          HG21      ILE  38  -2.267  -4.718  -3.735
  308   2HG2  ILE  38          HG22      ILE  38  -2.121  -5.256  -2.062
  309   3HG2  ILE  38          HG23      ILE  38  -3.322  -4.039  -2.495
  310   1HD1  ILE  38          HD11      ILE  38  -3.525  -2.615  -0.896
  311   2HD1  ILE  38          HD12      ILE  38  -2.652  -1.689   0.324
  312   3HD1  ILE  38          HD13      ILE  38  -2.673  -1.141  -1.352
  313    H    TYR  39           HN       TYR  39   0.740  -6.030  -3.740
  314    HA   TYR  39           HA       TYR  39   1.110  -5.143  -6.449
  315   1HB   TYR  39          HB2       TYR  39   2.512  -6.937  -5.599
  316   2HB   TYR  39          HB3       TYR  39   1.098  -7.895  -5.196
  317    HD1  TYR  39           HD1      TYR  39   2.777  -6.320  -8.124
  318    HD2  TYR  39           HD2      TYR  39   0.356  -9.499  -6.690
  319    HE1  TYR  39           HE1      TYR  39   2.869  -7.370 -10.335
  320    HE2  TYR  39           HE2      TYR  39   0.446 -10.569  -8.899
  321    HH   TYR  39           HH       TYR  39   2.623  -9.857 -11.220
  322    H    SER  40           HN       SER  40  -0.846  -4.323  -7.061
  323    HA   SER  40           HA       SER  40  -2.634  -6.047  -8.329
  324   1HB   SER  40          HB2       SER  40  -3.294  -6.377  -5.836
  325   2HB   SER  40          HB3       SER  40  -3.921  -4.734  -5.924
  326    HG   SER  40           HG       SER  40  -4.943  -7.065  -6.946
  327    H    ARG  41           HN       ARG  41  -4.467  -4.735  -9.281
  328    HA   ARG  41           HA       ARG  41  -3.492  -2.097  -9.889
  329   1HB   ARG  41          HB2       ARG  41  -5.828  -3.716 -10.858
  330   2HB   ARG  41          HB3       ARG  41  -5.706  -2.007 -11.233
  331   1HG   ARG  41          HG2       ARG  41  -3.610  -4.056 -11.893
  332   2HG   ARG  41          HG3       ARG  41  -4.824  -3.450 -13.022
  333   1HD   ARG  41          HD2       ARG  41  -3.949  -1.221 -12.845
  334   2HD   ARG  41          HD3       ARG  41  -2.848  -1.707 -11.561
  335    HE   ARG  41           HE       ARG  41  -2.308  -3.246 -13.851
  336   1HH1  ARG  41          HH12      ARG  41  -2.095   0.090 -12.764
  337   2HH1  ARG  41          HH11      ARG  41  -0.666   0.417 -13.703
  338   1HH2  ARG  41          HH22      ARG  41  -0.439  -2.795 -15.072
  339   2HH2  ARG  41          HH21      ARG  41   0.266  -1.201 -15.017
  340    HA   PRO  42           HA       PRO  42  -5.679   0.359  -7.027
  341   1HB   PRO  42          HB2       PRO  42  -6.763   2.297  -8.668
  342   2HB   PRO  42          HB3       PRO  42  -5.090   2.284  -8.114
  343   1HG   PRO  42          HG2       PRO  42  -6.244   1.379 -10.715
  344   2HG   PRO  42          HG3       PRO  42  -4.740   2.264 -10.402
  345   1HD   PRO  42          HD2       PRO  42  -4.741  -0.370 -10.927
  346   2HD   PRO  42          HD3       PRO  42  -3.600   0.352  -9.768
  347    H    GLU  43           HN       GLU  43  -7.474  -0.757  -9.847
  348    HA   GLU  43           HA       GLU  43  -9.995   0.130  -8.874
  349   1HB   GLU  43          HB2       GLU  43  -9.181  -1.710 -11.099
  350   2HB   GLU  43          HB3       GLU  43 -10.861  -1.403 -10.709
  351   1HG   GLU  43          HG2       GLU  43  -8.798   0.569 -11.639
  352   2HG   GLU  43          HG3       GLU  43 -10.260   0.058 -12.479
  353    HA   PRO  44           HA       PRO  44 -10.648  -4.564  -7.681
  354   1HB   PRO  44          HB2       PRO  44  -8.290  -5.923  -7.249
  355   2HB   PRO  44          HB3       PRO  44  -9.267  -6.048  -8.711
  356   1HG   PRO  44          HG2       PRO  44  -6.821  -4.422  -8.193
  357   2HG   PRO  44          HG3       PRO  44  -7.280  -5.328  -9.646
  358   1HD   PRO  44          HD2       PRO  44  -7.554  -2.656  -9.509
  359   2HD   PRO  44          HD3       PRO  44  -8.713  -3.666 -10.373
  360    H    VAL  45           HN       VAL  45  -8.103  -2.478  -6.551
  361    HA   VAL  45           HA       VAL  45  -8.319  -3.462  -3.817
  362    HB   VAL  45           HB       VAL  45  -6.734  -1.138  -4.941
  363   1HG1  VAL  45          HG11      VAL  45  -7.315  -0.740  -2.607
  364   2HG1  VAL  45          HG12      VAL  45  -6.690  -2.329  -2.169
  365   3HG1  VAL  45          HG13      VAL  45  -5.595  -1.087  -2.776
  366   1HG2  VAL  45          HG21      VAL  45  -4.792  -2.597  -4.506
  367   2HG2  VAL  45          HG22      VAL  45  -5.896  -3.897  -4.060
  368   3HG2  VAL  45          HG23      VAL  45  -5.891  -3.270  -5.709
  369    H    LYS  46           HN       LYS  46  -9.285  -0.686  -5.754
  370    HA   LYS  46           HA       LYS  46 -10.490   0.791  -3.656
  371   1HB   LYS  46          HB2       LYS  46  -9.860   1.605  -5.989
  372   2HB   LYS  46          HB3       LYS  46 -11.323   0.815  -6.557
  373   1HG   LYS  46          HG2       LYS  46 -12.670   2.246  -5.120
  374   2HG   LYS  46          HG3       LYS  46 -11.204   3.025  -4.514
  375   1HD   LYS  46          HD2       LYS  46 -10.694   3.572  -6.950
  376   2HD   LYS  46          HD3       LYS  46 -12.365   3.119  -7.283
  377   1HE   LYS  46          HE2       LYS  46 -13.160   4.824  -5.761
  378   2HE   LYS  46          HE3       LYS  46 -11.503   5.235  -5.319
  379   1HZ   LYS  46          HZ1       LYS  46 -12.890   5.704  -7.885
  380   2HZ   LYS  46          HZ2       LYS  46 -11.199   5.693  -7.792
  381   3HZ   LYS  46          HZ3       LYS  46 -12.087   6.825  -6.890
  382    H    ALA  47           HN       ALA  47 -11.464  -1.911  -5.581
  383    HA   ALA  47           HA       ALA  47 -14.242  -1.819  -5.236
  384   1HB   ALA  47          HB1       ALA  47 -14.224  -4.180  -5.828
  385   2HB   ALA  47          HB2       ALA  47 -13.121  -3.272  -6.861
  386   3HB   ALA  47          HB3       ALA  47 -12.485  -4.253  -5.542
  387    H    ILE  48           HN       ILE  48 -11.712  -2.680  -3.041
  388    HA   ILE  48           HA       ILE  48 -13.202  -4.229  -1.208
  389    HB   ILE  48           HB       ILE  48 -10.884  -2.387  -0.569
  390   1HG1  ILE  48          HG12      ILE  48 -10.818  -5.326  -1.284
  391   2HG1  ILE  48          HG13      ILE  48 -10.441  -4.034  -2.419
  392   1HG2  ILE  48          HG21      ILE  48 -10.517  -3.878   1.320
  393   2HG2  ILE  48          HG22      ILE  48 -12.134  -3.175   1.385
  394   3HG2  ILE  48          HG23      ILE  48 -11.918  -4.843   0.851
  395   1HD1  ILE  48          HD11      ILE  48  -8.960  -4.655   0.123
  396   2HD1  ILE  48          HD12      ILE  48  -8.422  -5.004  -1.518
  397   3HD1  ILE  48          HD13      ILE  48  -8.589  -3.333  -0.984
  398    H    CYS  49           HN       CYS  49 -12.770  -0.771  -1.669
  399    HA   CYS  49           HA       CYS  49 -14.413  -0.205   0.684
  400   1HB   CYS  49          HB2       CYS  49 -12.769   1.597  -1.103
  401   2HB   CYS  49          HB3       CYS  49 -13.664   2.131   0.316
  402    H    LYS  50           HN       LYS  50 -14.916  -0.850  -2.470
  403    HA   LYS  50           HA       LYS  50 -16.611   1.226  -3.331
  404   1HB   LYS  50          HB2       LYS  50 -15.593  -0.507  -4.820
  405   2HB   LYS  50          HB3       LYS  50 -16.723  -1.680  -4.155
  406   1HG   LYS  50          HG2       LYS  50 -18.569  -0.611  -5.120
  407   2HG   LYS  50          HG3       LYS  50 -17.649   0.853  -5.467
  408   1HD   LYS  50          HD2       LYS  50 -17.228  -1.845  -6.757
  409   2HD   LYS  50          HD3       LYS  50 -18.046  -0.466  -7.495
  410   1HE   LYS  50          HE2       LYS  50 -15.917   0.834  -7.163
  411   2HE   LYS  50          HE3       LYS  50 -15.147  -0.683  -6.703
  412   1HZ   LYS  50          HZ1       LYS  50 -16.366  -0.025  -9.329
  413   2HZ   LYS  50          HZ2       LYS  50 -15.818  -1.570  -8.903
  414   3HZ   LYS  50          HZ3       LYS  50 -14.721  -0.280  -8.994
  415    H    GLY  51           HN       GLY  51 -18.344   1.859  -2.294
  416   1HA   GLY  51          HA1       GLY  51 -20.669   1.414  -1.788
  417   2HA   GLY  51          HA2       GLY  51 -20.185  -0.181  -1.228
  418    H    ILE  52           HN       ILE  52 -17.800   1.700  -0.129
  419    HA   ILE  52           HA       ILE  52 -19.142   2.102   2.460
  420    HB   ILE  52           HB       ILE  52 -16.165   2.144   2.033
  421   1HG1  ILE  52          HG12      ILE  52 -16.924  -0.002   1.164
  422   2HG1  ILE  52          HG13      ILE  52 -16.106  -0.228   2.703
  423   1HG2  ILE  52          HG21      ILE  52 -16.115   1.550   4.405
  424   2HG2  ILE  52          HG22      ILE  52 -17.002   3.049   4.128
  425   3HG2  ILE  52          HG23      ILE  52 -17.878   1.551   4.440
  426   1HD1  ILE  52          HD11      ILE  52 -18.072  -1.631   2.519
  427   2HD1  ILE  52          HD12      ILE  52 -18.259  -0.451   3.819
  428   3HD1  ILE  52          HD13      ILE  52 -19.080  -0.205   2.277
  429    H    ILE  53           HN       ILE  53 -20.013   4.159   2.168
  430    HA   ILE  53           HA       ILE  53 -18.380   6.291   1.123
  431    HB   ILE  53           HB       ILE  53 -21.206   6.177   2.154
  432   1HG1  ILE  53          HG12      ILE  53 -21.745   6.840  -0.152
  433   2HG1  ILE  53          HG13      ILE  53 -20.039   6.836  -0.560
  434   1HG2  ILE  53          HG21      ILE  53 -20.272   8.314   2.860
  435   2HG2  ILE  53          HG22      ILE  53 -19.728   8.633   1.213
  436   3HG2  ILE  53          HG23      ILE  53 -21.454   8.539   1.569
  437   1HD1  ILE  53          HD11      ILE  53 -19.961   4.433  -0.135
  438   2HD1  ILE  53          HD12      ILE  53 -21.683   4.452   0.255
  439   3HD1  ILE  53          HD13      ILE  53 -21.142   4.847  -1.378
  440    H    ALA  54           HN       ALA  54 -19.900   5.492   4.238
  441    HA   ALA  54           HA       ALA  54 -18.711   7.685   5.619
  442   1HB   ALA  54          HB1       ALA  54 -20.757   6.620   6.426
  443   2HB   ALA  54          HB2       ALA  54 -19.865   5.127   6.727
  444   3HB   ALA  54          HB3       ALA  54 -19.487   6.583   7.650
  445    H    SER  55           HN       SER  55 -16.825   7.861   6.616
  446    HA   SER  55           HA       SER  55 -14.623   6.354   5.949
  447   1HB   SER  55          HB2       SER  55 -14.824   7.824   8.563
  448   2HB   SER  55          HB3       SER  55 -13.450   7.706   7.464
  449    HG   SER  55           HG       SER  55 -14.153   9.399   6.464
  450    H    LYS  56           HN       LYS  56 -14.427   4.211   6.321
  451    HA   LYS  56           HA       LYS  56 -14.875   3.221   9.056
  452   1HB   LYS  56          HB2       LYS  56 -16.834   2.836   7.417
  453   2HB   LYS  56          HB3       LYS  56 -15.776   1.671   6.639
  454   1HG   LYS  56          HG2       LYS  56 -15.563   0.607   8.961
  455   2HG   LYS  56          HG3       LYS  56 -16.971   1.583   9.383
  456   1HD   LYS  56          HD2       LYS  56 -16.757  -0.578   7.298
  457   2HD   LYS  56          HD3       LYS  56 -17.811  -0.526   8.711
  458   1HE   LYS  56          HE2       LYS  56 -17.984   1.326   6.337
  459   2HE   LYS  56          HE3       LYS  56 -19.006  -0.085   6.593
  460   1HZ   LYS  56          HZ1       LYS  56 -20.126   1.932   7.264
  461   2HZ   LYS  56          HZ2       LYS  56 -18.876   2.315   8.345
  462   3HZ   LYS  56          HZ3       LYS  56 -19.848   0.949   8.619
  463    H    ASN  57           HN       ASN  57 -13.285   1.887   9.743
  464    HA   ASN  57           HA       ASN  57 -11.172   1.125   7.911
  465   1HB   ASN  57          HB2       ASN  57 -11.568   0.725  10.884
  466   2HB   ASN  57          HB3       ASN  57 -10.212   0.015  10.014
  467   1HD2  ASN  57          HD21      ASN  57  -8.793   1.228  11.335
  468   2HD2  ASN  57          HD22      ASN  57  -8.532   2.916  11.035
  469    H    VAL  58           HN       VAL  58 -11.532  -0.588   6.601
  470    HA   VAL  58           HA       VAL  58 -13.048  -2.840   7.744
  471    HB   VAL  58           HB       VAL  58 -13.974  -3.363   5.628
  472   1HG1  VAL  58          HG11      VAL  58 -15.220  -1.319   5.049
  473   2HG1  VAL  58          HG12      VAL  58 -15.143  -1.602   6.787
  474   3HG1  VAL  58          HG13      VAL  58 -14.106  -0.384   6.047
  475   1HG2  VAL  58          HG21      VAL  58 -13.452  -2.177   3.565
  476   2HG2  VAL  58          HG22      VAL  58 -12.249  -1.210   4.421
  477   3HG2  VAL  58          HG23      VAL  58 -12.017  -2.949   4.242
  478    H    LEU  59           HN       LEU  59 -12.231  -4.810   7.662
  479    HA   LEU  59           HA       LEU  59  -9.499  -5.141   6.730
  480   1HB   LEU  59          HB2       LEU  59 -10.333  -5.804   9.036
  481   2HB   LEU  59          HB3       LEU  59 -11.244  -7.075   8.257
  482    HG   LEU  59           HG       LEU  59  -8.942  -7.584   9.367
  483   1HD1  LEU  59          HD11      LEU  59 -10.280  -9.209   8.165
  484   2HD1  LEU  59          HD12      LEU  59  -9.638  -8.615   6.634
  485   3HD1  LEU  59          HD13      LEU  59  -8.565  -9.396   7.796
  486   1HD2  LEU  59          HD21      LEU  59  -7.671  -5.873   8.217
  487   2HD2  LEU  59          HD22      LEU  59  -7.076  -7.481   7.797
  488   3HD2  LEU  59          HD23      LEU  59  -8.087  -6.590   6.661
  489    H    THR  60           HN       THR  60  -8.906  -6.603   5.127
  490    HA   THR  60           HA       THR  60 -10.928  -7.023   3.148
  491    HB   THR  60           HB       THR  60  -9.099  -8.054   1.806
  492    HG1  THR  60           HG1      THR  60  -7.432  -8.762   2.871
  493   1HG2  THR  60          HG21      THR  60  -7.788  -5.992   1.552
  494   2HG2  THR  60          HG22      THR  60  -8.471  -5.383   3.060
  495   3HG2  THR  60          HG23      THR  60  -9.517  -5.666   1.667
  496    H    THR  61           HN       THR  61 -11.627  -8.907   2.241
  497    HA   THR  61           HA       THR  61 -12.030 -11.063   4.087
  498    HB   THR  61           HB       THR  61 -13.306 -11.986   2.058
  499    HG1  THR  61           HG1      THR  61 -12.970 -10.913   0.261
  500   1HG2  THR  61          HG21      THR  61 -14.037  -9.286   3.204
  501   2HG2  THR  61          HG22      THR  61 -14.412 -10.853   3.923
  502   3HG2  THR  61          HG23      THR  61 -15.156 -10.385   2.394
  503    H    SER  62           HN       SER  62  -9.760 -10.359   1.704
  504    HA   SER  62           HA       SER  62  -8.826 -13.126   1.606
  505   1HB   SER  62          HB2       SER  62  -9.044 -11.332  -0.829
  506   2HB   SER  62          HB3       SER  62  -8.459 -12.995  -0.797
  507    HG   SER  62           HG       SER  62 -10.531 -13.677  -0.230
  508    H    GLU  63           HN       GLU  63  -6.546 -13.270   0.915
  509    HA   GLU  63           HA       GLU  63  -5.023 -11.060   1.996
  510   1HB   GLU  63          HB2       GLU  63  -3.827 -13.535   0.747
  511   2HB   GLU  63          HB3       GLU  63  -3.111 -12.453   1.918
  512   1HG   GLU  63          HG2       GLU  63  -3.622 -14.410   3.091
  513   2HG   GLU  63          HG3       GLU  63  -4.847 -13.234   3.561
  514    H    PHE  64           HN       PHE  64  -3.475  -9.877   0.865
  515    HA   PHE  64           HA       PHE  64  -3.690 -10.068  -2.063
  516   1HB   PHE  64          HB2       PHE  64  -3.445  -7.665  -0.282
  517   2HB   PHE  64          HB3       PHE  64  -2.961  -7.593  -1.968
  518    HD1  PHE  64           HD1      PHE  64  -4.542  -7.276  -3.655
  519    HD2  PHE  64           HD2      PHE  64  -5.833  -8.319   0.264
  520    HE1  PHE  64           HE1      PHE  64  -6.875  -6.858  -4.315
  521    HE2  PHE  64           HE2      PHE  64  -8.166  -7.898  -0.389
  522    HZ   PHE  64           HZ       PHE  64  -8.689  -7.168  -2.683
  523    H    TYR  65           HN       TYR  65  -1.760  -9.161  -3.174
  524    HA   TYR  65           HA       TYR  65   0.550 -10.557  -2.133
  525   1HB   TYR  65          HB2       TYR  65   0.270  -8.997  -4.709
  526   2HB   TYR  65          HB3       TYR  65   1.489 -10.211  -4.344
  527    HD1  TYR  65           HD1      TYR  65  -1.641  -9.608  -5.859
  528    HD2  TYR  65           HD2      TYR  65   0.563 -12.604  -3.795
  529    HE1  TYR  65           HE1      TYR  65  -3.127 -11.330  -6.785
  530    HE2  TYR  65           HE2      TYR  65  -0.916 -14.335  -4.720
  531    HH   TYR  65           HH       TYR  65  -3.121 -13.698  -7.267
  532    H    LEU  66           HN       LEU  66   1.751  -9.492  -0.669
  533    HA   LEU  66           HA       LEU  66   1.865  -6.566  -0.895
  534   1HB   LEU  66          HB2       LEU  66   2.341  -8.324   1.505
  535   2HB   LEU  66          HB3       LEU  66   2.385  -6.570   1.498
  536    HG   LEU  66           HG       LEU  66  -0.033  -8.283   0.943
  537   1HD1  LEU  66          HD11      LEU  66  -0.882  -7.373   3.040
  538   2HD1  LEU  66          HD12      LEU  66   0.615  -8.272   3.293
  539   3HD1  LEU  66          HD13      LEU  66   0.635  -6.509   3.285
  540   1HD2  LEU  66          HD21      LEU  66  -1.273  -6.164   0.939
  541   2HD2  LEU  66          HD22      LEU  66   0.251  -5.284   1.052
  542   3HD2  LEU  66          HD23      LEU  66  -0.105  -6.253  -0.378
  543    H    SER  67           HN       SER  67   3.726  -5.484  -0.950
  544    HA   SER  67           HA       SER  67   6.229  -6.992  -0.611
  545   1HB   SER  67          HB2       SER  67   5.689  -4.820  -2.656
  546   2HB   SER  67          HB3       SER  67   7.223  -5.659  -2.420
  547    HG   SER  67           HG       SER  67   6.474  -7.057  -3.791
  548    H    ASP  68           HN       ASP  68   7.145  -6.226   1.179
  549    HA   ASP  68           HA       ASP  68   6.518  -3.486   2.007
  550   1HB   ASP  68          HB2       ASP  68   5.965  -5.273   3.605
  551   2HB   ASP  68          HB3       ASP  68   7.650  -5.783   3.618
  552    H    CYS  69           HN       CYS  69   7.960  -1.988   1.623
  553    HA   CYS  69           HA       CYS  69  10.783  -2.694   1.329
  554   1HB   CYS  69          HB2       CYS  69   9.255  -0.131   0.832
  555   2HB   CYS  69          HB3       CYS  69  10.993  -0.294   0.612
  556    H    ASN  70           HN       ASN  70  12.060  -2.574   3.060
  557    HA   ASN  70           HA       ASN  70  11.476  -0.530   5.093
  558   1HB   ASN  70          HB2       ASN  70  12.234  -2.245   6.817
  559   2HB   ASN  70          HB3       ASN  70  10.646  -2.502   6.106
  560   1HD2  ASN  70          HD21      ASN  70  10.296  -4.258   4.785
  561   2HD2  ASN  70          HD22      ASN  70  11.444  -5.542   4.607
  562    H    VAL  71           HN       VAL  71  13.197   0.391   6.105
  563    HA   VAL  71           HA       VAL  71  15.617   0.475   4.629
  564    HB   VAL  71           HB       VAL  71  14.625   2.405   5.850
  565   1HG1  VAL  71          HG11      VAL  71  15.037   2.661   8.247
  566   2HG1  VAL  71          HG12      VAL  71  13.956   1.311   7.901
  567   3HG1  VAL  71          HG13      VAL  71  15.643   1.006   8.314
  568   1HG2  VAL  71          HG21      VAL  71  16.944   2.470   5.111
  569   2HG2  VAL  71          HG22      VAL  71  16.734   3.347   6.627
  570   3HG2  VAL  71          HG23      VAL  71  17.461   1.740   6.631
  571    H    THR  72           HN       THR  72  17.567  -0.487   4.986
  572    HA   THR  72           HA       THR  72  17.538  -2.554   7.085
  573    HB   THR  72           HB       THR  72  19.089  -3.812   5.515
  574    HG1  THR  72           HG1      THR  72  18.727  -3.116   3.246
  575   1HG2  THR  72          HG21      THR  72  16.720  -4.386   5.831
  576   2HG2  THR  72          HG22      THR  72  17.247  -4.666   4.171
  577   3HG2  THR  72          HG23      THR  72  16.284  -3.242   4.560
  578    H    SER  73           HN       SER  73  20.158  -1.471   4.977
  579    HA   SER  73           HA       SER  73  21.920  -1.535   7.297
  580   1HB   SER  73          HB2       SER  73  23.711  -1.479   5.495
  581   2HB   SER  73          HB3       SER  73  22.657  -2.895   5.479
  582    HG   SER  73           HG       SER  73  22.684  -2.224   3.398
  583    H    ARG  74           HN       ARG  74  21.659   0.468   4.380
  584    HA   ARG  74           HA       ARG  74  22.686   2.733   5.920
  585   1HB   ARG  74          HB2       ARG  74  22.597   2.172   2.961
  586   2HB   ARG  74          HB3       ARG  74  23.027   3.747   3.614
  587   1HG   ARG  74          HG2       ARG  74  24.920   2.766   4.783
  588   2HG   ARG  74          HG3       ARG  74  24.482   1.169   4.168
  589   1HD   ARG  74          HD2       ARG  74  24.903   1.855   1.912
  590   2HD   ARG  74          HD3       ARG  74  25.125   3.530   2.414
  591    HE   ARG  74           HE       ARG  74  27.040   2.273   3.815
  592   1HH1  ARG  74          HH12      ARG  74  26.143   2.068   0.437
  593   2HH1  ARG  74          HH11      ARG  74  27.767   1.785  -0.108
  594   1HH2  ARG  74          HH22      ARG  74  29.191   1.892   3.092
  595   2HH2  ARG  74          HH21      ARG  74  29.492   1.691   1.389
  596    HA   PRO  75           HA       PRO  75  18.890   5.007   5.883
  597   1HB   PRO  75          HB2       PRO  75  20.469   7.279   4.788
  598   2HB   PRO  75          HB3       PRO  75  19.432   7.213   6.218
  599   1HG   PRO  75          HG2       PRO  75  22.079   7.226   6.467
  600   2HG   PRO  75          HG3       PRO  75  21.070   6.219   7.523
  601   1HD   PRO  75          HD2       PRO  75  22.725   5.429   5.162
  602   2HD   PRO  75          HD3       PRO  75  22.464   4.570   6.694
  603    H    CYS  76           HN       CYS  76  17.308   5.031   4.461
  604    HA   CYS  76           HA       CYS  76  16.102   5.100   2.565
  605   1HB   CYS  76          HB2       CYS  76  17.189   7.368   2.374
  606   2HB   CYS  76          HB3       CYS  76  18.374   6.636   1.300
  607    H    LYS  77           HN       LYS  77  18.503   3.156   3.029
  608    HA   LYS  77           HA       LYS  77  18.272   1.915   0.371
  609   1HB   LYS  77          HB2       LYS  77  20.283   1.545   2.585
  610   2HB   LYS  77          HB3       LYS  77  20.081   0.341   1.318
  611   1HG   LYS  77          HG2       LYS  77  20.821   3.232   0.900
  612   2HG   LYS  77          HG3       LYS  77  21.919   1.852   0.813
  613   1HD   LYS  77          HD2       LYS  77  20.581   0.933  -1.038
  614   2HD   LYS  77          HD3       LYS  77  19.529   2.346  -0.963
  615   1HE   LYS  77          HE2       LYS  77  21.414   3.789  -1.512
  616   2HE   LYS  77          HE3       LYS  77  22.485   2.388  -1.555
  617   1HZ   LYS  77          HZ1       LYS  77  21.130   1.497  -3.379
  618   2HZ   LYS  77          HZ2       LYS  77  21.832   2.991  -3.772
  619   3HZ   LYS  77          HZ3       LYS  77  20.185   2.907  -3.369
  620    H    TYR  78           HN       TYR  78  17.240  -0.048   0.175
  621    HA   TYR  78           HA       TYR  78  15.850  -0.930   2.607
  622   1HB   TYR  78          HB2       TYR  78  14.539  -0.416  -0.070
  623   2HB   TYR  78          HB3       TYR  78  13.736  -0.968   1.399
  624    HD1  TYR  78           HD1      TYR  78  13.636   0.581   3.370
  625    HD2  TYR  78           HD2      TYR  78  14.899   1.872  -0.475
  626    HE1  TYR  78           HE1      TYR  78  13.241   2.909   4.032
  627    HE2  TYR  78           HE2      TYR  78  14.505   4.209   0.174
  628    HH   TYR  78           HH       TYR  78  14.044   5.165   3.368
  629    H    LYS  79           HN       LYS  79  14.822  -2.967   2.465
  630    HA   LYS  79           HA       LYS  79  15.798  -4.746   0.327
  631   1HB   LYS  79          HB2       LYS  79  16.639  -5.318   2.600
  632   2HB   LYS  79          HB3       LYS  79  14.981  -5.454   3.160
  633   1HG   LYS  79          HG2       LYS  79  14.679  -7.274   1.449
  634   2HG   LYS  79          HG3       LYS  79  16.426  -7.210   1.204
  635   1HD   LYS  79          HD2       LYS  79  15.011  -7.795   3.802
  636   2HD   LYS  79          HD3       LYS  79  15.832  -8.973   2.780
  637   1HE   LYS  79          HE2       LYS  79  17.955  -7.831   3.150
  638   2HE   LYS  79          HE3       LYS  79  17.143  -6.616   4.136
  639   1HZ   LYS  79          HZ1       LYS  79  18.260  -8.363   5.446
  640   2HZ   LYS  79          HZ2       LYS  79  17.210  -9.516   4.773
  641   3HZ   LYS  79          HZ3       LYS  79  16.590  -8.273   5.749
  642    H    LEU  80           HN       LEU  80  14.224  -5.971  -0.739
  643    HA   LEU  80           HA       LEU  80  11.492  -5.079  -0.279
  644   1HB   LEU  80          HB2       LEU  80  12.621  -5.290  -2.576
  645   2HB   LEU  80          HB3       LEU  80  12.392  -7.016  -2.394
  646    HG   LEU  80           HG       LEU  80  10.653  -5.733  -3.748
  647   1HD1  LEU  80          HD11      LEU  80   9.735  -7.437  -1.460
  648   2HD1  LEU  80          HD12      LEU  80   8.797  -7.067  -2.908
  649   3HD1  LEU  80          HD13      LEU  80  10.284  -8.007  -3.037
  650   1HD2  LEU  80          HD21      LEU  80  10.391  -3.847  -2.264
  651   2HD2  LEU  80          HD22      LEU  80   8.858  -4.696  -2.477
  652   3HD2  LEU  80          HD23      LEU  80   9.792  -4.918  -0.998
  653    H    LYS  81           HN       LYS  81   9.821  -6.403   0.293
  654    HA   LYS  81           HA       LYS  81  10.568  -9.065   1.300
  655   1HB   LYS  81          HB2       LYS  81  10.543  -7.279   3.098
  656   2HB   LYS  81          HB3       LYS  81   8.817  -7.123   2.813
  657   1HG   LYS  81          HG2       LYS  81   8.447  -9.397   3.505
  658   2HG   LYS  81          HG3       LYS  81  10.185  -9.668   3.658
  659   1HD   LYS  81          HD2       LYS  81   9.314  -9.282   5.849
  660   2HD   LYS  81          HD3       LYS  81  10.235  -7.853   5.378
  661   1HE   LYS  81          HE2       LYS  81   8.110  -6.767   4.709
  662   2HE   LYS  81          HE3       LYS  81   7.236  -8.171   5.316
  663   1HZ   LYS  81          HZ1       LYS  81   8.839  -6.219   6.870
  664   2HZ   LYS  81          HZ2       LYS  81   8.355  -7.709   7.508
  665   3HZ   LYS  81          HZ3       LYS  81   7.190  -6.578   7.023
  666    H    LYS  82           HN       LYS  82   9.460 -10.353  -0.008
  667    HA   LYS  82           HA       LYS  82   6.815  -9.603  -0.954
  668   1HB   LYS  82          HB2       LYS  82   8.645 -11.911  -1.636
  669   2HB   LYS  82          HB3       LYS  82   7.072 -11.643  -2.380
  670   1HG   LYS  82          HG2       LYS  82   7.773  -9.792  -3.533
  671   2HG   LYS  82          HG3       LYS  82   9.076  -9.446  -2.399
  672   1HD   LYS  82          HD2       LYS  82  10.236 -11.506  -3.243
  673   2HD   LYS  82          HD3       LYS  82   8.992 -11.610  -4.495
  674   1HE   LYS  82          HE2       LYS  82   9.619  -9.476  -5.386
  675   2HE   LYS  82          HE3       LYS  82  10.707  -9.177  -4.034
  676   1HZ   LYS  82          HZ1       LYS  82  11.040 -11.177  -6.199
  677   2HZ   LYS  82          HZ2       LYS  82  12.018 -11.120  -4.810
  678   3HZ   LYS  82          HZ3       LYS  82  12.000  -9.810  -5.890
  679    H    SER  83           HN       SER  83   5.044 -10.181   0.044
  680    HA   SER  83           HA       SER  83   4.798 -12.851   1.173
  681   1HB   SER  83          HB2       SER  83   3.738 -11.787   3.261
  682   2HB   SER  83          HB3       SER  83   5.497 -11.738   3.143
  683    HG   SER  83           HG       SER  83   5.019  -9.579   2.077
  684    H    THR  84           HN       THR  84   2.460 -13.216   1.900
  685    HA   THR  84           HA       THR  84   0.576 -11.540   0.372
  686    HB   THR  84           HB       THR  84   0.211 -14.521   0.612
  687    HG1  THR  84           HG1      THR  84   1.142 -14.722  -1.445
  688   1HG2  THR  84          HG21      THR  84  -1.759 -13.203   0.045
  689   2HG2  THR  84          HG22      THR  84  -1.248 -14.180  -1.333
  690   3HG2  THR  84          HG23      THR  84  -0.887 -12.454  -1.294
  691    H    ASN  85           HN       ASN  85  -0.768 -10.624   1.791
  692    HA   ASN  85           HA       ASN  85  -2.027 -12.214   3.840
  693   1HB   ASN  85          HB2       ASN  85   0.237 -11.154   4.739
  694   2HB   ASN  85          HB3       ASN  85  -0.783  -9.738   4.866
  695   1HD2  ASN  85          HD21      ASN  85  -0.449  -9.884   7.148
  696   2HD2  ASN  85          HD22      ASN  85  -1.392 -10.987   8.097
  697    H    LYS  86           HN       LYS  86  -3.804 -11.081   4.868
  698    HA   LYS  86           HA       LYS  86  -5.149  -9.251   3.148
  699   1HB   LYS  86          HB2       LYS  86  -5.782  -9.846   6.037
  700   2HB   LYS  86          HB3       LYS  86  -6.891  -9.313   4.780
  701   1HG   LYS  86          HG2       LYS  86  -6.613 -11.456   3.629
  702   2HG   LYS  86          HG3       LYS  86  -5.510 -11.985   4.903
  703   1HD   LYS  86          HD2       LYS  86  -7.357 -11.618   6.538
  704   2HD   LYS  86          HD3       LYS  86  -8.419 -11.304   5.174
  705   1HE   LYS  86          HE2       LYS  86  -8.165 -13.511   4.346
  706   2HE   LYS  86          HE3       LYS  86  -6.835 -13.840   5.452
  707   1HZ   LYS  86          HZ1       LYS  86  -8.342 -13.769   7.297
  708   2HZ   LYS  86          HZ2       LYS  86  -8.943 -14.859   6.143
  709   3HZ   LYS  86          HZ3       LYS  86  -9.631 -13.319   6.293
  710    H    PHE  87           HN       PHE  87  -6.075  -7.165   4.219
  711    HA   PHE  87           HA       PHE  87  -4.461  -5.999   6.281
  712   1HB   PHE  87          HB2       PHE  87  -3.901  -3.956   4.877
  713   2HB   PHE  87          HB3       PHE  87  -2.951  -5.403   4.576
  714    HD1  PHE  87           HD1      PHE  87  -2.586  -6.033   2.407
  715    HD2  PHE  87           HD2      PHE  87  -6.015  -3.677   3.294
  716    HE1  PHE  87           HE1      PHE  87  -3.086  -5.862   0.007
  717    HE2  PHE  87           HE2      PHE  87  -6.527  -3.514   0.893
  718    HZ   PHE  87           HZ       PHE  87  -5.058  -4.608  -0.758
  719    H    CYS  88           HN       CYS  88  -5.361  -4.089   7.161
  720    HA   CYS  88           HA       CYS  88  -8.184  -3.772   6.454
  721   1HB   CYS  88          HB2       CYS  88  -7.304  -4.043   8.917
  722   2HB   CYS  88          HB3       CYS  88  -6.834  -2.355   8.738
  723    H    VAL  89           HN       VAL  89  -8.802  -2.116   5.223
  724    HA   VAL  89           HA       VAL  89  -6.979   0.185   5.003
  725    HB   VAL  89           HB       VAL  89  -8.148   0.643   2.803
  726   1HG1  VAL  89          HG11      VAL  89  -6.550  -1.898   3.087
  727   2HG1  VAL  89          HG12      VAL  89  -6.825  -1.037   1.572
  728   3HG1  VAL  89          HG13      VAL  89  -5.912  -0.269   2.871
  729   1HG2  VAL  89          HG21      VAL  89  -9.121  -2.190   3.185
  730   2HG2  VAL  89          HG22      VAL  89 -10.126  -0.743   3.138
  731   3HG2  VAL  89          HG23      VAL  89  -9.251  -1.255   1.693
  732    H    THR  90           HN       THR  90  -7.767   2.210   5.337
  733    HA   THR  90           HA       THR  90 -10.361   2.408   6.576
  734    HB   THR  90           HB       THR  90  -8.407   4.609   5.873
  735    HG1  THR  90           HG1      THR  90  -8.637   2.855   8.061
  736   1HG2  THR  90          HG21      THR  90 -10.703   5.407   6.242
  737   2HG2  THR  90          HG22      THR  90  -9.619   5.930   7.530
  738   3HG2  THR  90          HG23      THR  90 -10.731   4.589   7.805
  739    H    CYS  91           HN       CYS  91 -12.089   2.389   5.252
  740    HA   CYS  91           HA       CYS  91 -11.847   3.453   2.551
  741   1HB   CYS  91          HB2       CYS  91 -14.091   1.955   3.906
  742   2HB   CYS  91          HB3       CYS  91 -14.022   2.370   2.195
  743    H    GLU  92           HN       GLU  92 -12.636   5.345   1.925
  744    HA   GLU  92           HA       GLU  92 -14.863   6.532   3.394
  745   1HB   GLU  92          HB2       GLU  92 -12.558   7.380   4.227
  746   2HB   GLU  92          HB3       GLU  92 -12.479   8.220   2.686
  747   1HG   GLU  92          HG2       GLU  92 -14.637   9.318   3.251
  748   2HG   GLU  92          HG3       GLU  92 -14.540   8.573   4.839
  749    H    ASN  93           HN       ASN  93 -16.348   7.138   1.973
  750    HA   ASN  93           HA       ASN  93 -17.392   7.678   0.034
  751   1HB   ASN  93          HB2       ASN  93 -14.781   9.117  -0.473
  752   2HB   ASN  93          HB3       ASN  93 -16.194   9.265  -1.512
  753   1HD2  ASN  93          HD21      ASN  93 -14.784  10.075   1.534
  754   2HD2  ASN  93          HD22      ASN  93 -15.999  11.199   2.041
  755    H    GLN  94           HN       GLN  94 -16.209   5.185   0.181
  756    HA   GLN  94           HA       GLN  94 -16.093   3.348  -1.130
  757   1HB   GLN  94          HB2       GLN  94 -16.475   5.215  -3.471
  758   2HB   GLN  94          HB3       GLN  94 -16.650   3.464  -3.491
  759   1HG   GLN  94          HG2       GLN  94 -18.497   3.669  -1.870
  760   2HG   GLN  94          HG3       GLN  94 -18.351   5.421  -1.970
  761   1HE2  GLN  94          HE21      GLN  94 -17.863   3.385  -4.736
  762   2HE2  GLN  94          HE22      GLN  94 -19.331   3.808  -5.559
  763    H    ALA  95           HN       ALA  95 -13.780   5.398  -0.743
  764    HA   ALA  95           HA       ALA  95 -11.933   3.865  -2.434
  765   1HB   ALA  95          HB1       ALA  95 -10.633   5.854  -2.915
  766   2HB   ALA  95          HB2       ALA  95 -12.298   6.083  -3.448
  767   3HB   ALA  95          HB3       ALA  95 -11.739   6.839  -1.957
  768    HA   PRO  96           HA       PRO  96  -9.661   3.255   1.387
  769   1HB   PRO  96          HB2       PRO  96  -7.409   2.864  -0.488
  770   2HB   PRO  96          HB3       PRO  96  -8.032   1.781   0.759
  771   1HG   PRO  96          HG2       PRO  96  -8.430   1.326  -1.867
  772   2HG   PRO  96          HG3       PRO  96  -9.619   0.873  -0.639
  773   1HD   PRO  96          HD2       PRO  96  -9.657   3.130  -2.564
  774   2HD   PRO  96          HD3       PRO  96 -11.001   2.188  -1.898
  775    H    VAL  97           HN       VAL  97  -9.042   5.004   2.524
  776    HA   VAL  97           HA       VAL  97  -7.455   7.063   1.141
  777    HB   VAL  97           HB       VAL  97  -8.317   8.681   2.792
  778   1HG1  VAL  97          HG11      VAL  97  -9.444   8.497   0.668
  779   2HG1  VAL  97          HG12      VAL  97 -10.410   7.144   1.259
  780   3HG1  VAL  97          HG13      VAL  97 -10.640   8.754   1.940
  781   1HG2  VAL  97          HG21      VAL  97 -10.193   8.071   4.232
  782   2HG2  VAL  97          HG22      VAL  97 -10.063   6.395   3.695
  783   3HG2  VAL  97          HG23      VAL  97  -8.756   7.125   4.622
  784    H    HIS  98           HN       HIS  98  -7.555   4.944   3.876
  785    HA   HIS  98           HA       HIS  98  -4.867   5.860   4.625
  786   1HB   HIS  98          HB2       HIS  98  -7.196   5.423   6.486
  787   2HB   HIS  98          HB3       HIS  98  -5.541   5.259   7.047
  788    HD1  HIS  98           HD1      HIS  98  -4.683   7.300   8.117
  789    HD2  HIS  98           HD2      HIS  98  -7.539   8.164   5.220
  790    HE1  HIS  98           HE1      HIS  98  -4.996   9.793   8.194
  791    HE2  HIS  98           HE2      HIS  98  -6.898  10.251   6.602
  792    H    PHE  99           HN       PHE  99  -3.485   4.238   5.323
  793    HA   PHE  99           HA       PHE  99  -4.499   1.508   4.955
  794   1HB   PHE  99          HB2       PHE  99  -2.538   2.306   3.563
  795   2HB   PHE  99          HB3       PHE  99  -1.608   2.386   5.055
  796    HD1  PHE  99           HD1      PHE  99  -0.463   0.530   5.803
  797    HD2  PHE  99           HD2      PHE  99  -3.627   0.024   2.999
  798    HE1  PHE  99           HE1      PHE  99   0.112  -1.850   5.592
  799    HE2  PHE  99           HE2      PHE  99  -3.054  -2.360   2.779
  800    HZ   PHE  99           HZ       PHE  99  -1.202  -3.301   4.031
  801    H    VAL 100           HN       VAL 100  -4.945   0.437   6.754
  802    HA   VAL 100           HA       VAL 100  -4.133   1.501   9.305
  803    HB   VAL 100           HB       VAL 100  -5.742  -0.976   8.670
  804   1HG1  VAL 100          HG11      VAL 100  -6.533  -0.825  10.980
  805   2HG1  VAL 100          HG12      VAL 100  -4.788  -1.062  10.903
  806   3HG1  VAL 100          HG13      VAL 100  -5.446   0.536  11.262
  807   1HG2  VAL 100          HG21      VAL 100  -6.821   1.035   7.796
  808   2HG2  VAL 100          HG22      VAL 100  -7.716   0.397   9.175
  809   3HG2  VAL 100          HG23      VAL 100  -6.678   1.808   9.376
  810    H    GLY 101           HN       GLY 101  -4.196  -1.932   8.445
  811   1HA   GLY 101          HA1       GLY 101  -1.351  -2.246   8.498
  812   2HA   GLY 101          HA2       GLY 101  -2.104  -2.810   9.982
  813    H    VAL 102           HN       VAL 102  -0.782  -4.660   8.541
  814    HA   VAL 102           HA       VAL 102  -2.706  -5.906   6.744
  815    HB   VAL 102           HB       VAL 102  -1.052  -7.175   5.840
  816   1HG1  VAL 102          HG11      VAL 102   0.438  -4.782   6.881
  817   2HG1  VAL 102          HG12      VAL 102   0.954  -5.802   5.537
  818   3HG1  VAL 102          HG13      VAL 102  -0.536  -4.868   5.413
  819   1HG2  VAL 102          HG21      VAL 102   0.739  -6.907   8.241
  820   2HG2  VAL 102          HG22      VAL 102  -0.405  -8.231   8.009
  821   3HG2  VAL 102          HG23      VAL 102   0.916  -8.003   6.864
  822    H    GLY 103           HN       GLY 103  -3.243  -8.144   6.912
  823   1HA   GLY 103          HA1       GLY 103  -3.666 -10.109   8.137
  824   2HA   GLY 103          HA2       GLY 103  -3.088  -9.308   9.591
  825    H    SER 104           HN       SER 104  -4.448  -7.847  10.666
  826    HA   SER 104           HA       SER 104  -7.155  -7.441   9.714
  827   1HB   SER 104          HB2       SER 104  -6.543  -8.822  12.344
  828   2HB   SER 104          HB3       SER 104  -8.120  -8.190  11.888
  829    HG   SER 104           HG       SER 104  -7.090  -9.789   9.947
  830    H    CYS 105           HN       CYS 105  -8.275  -5.824  11.173
  831    HA   CYS 105           HA       CYS 105  -6.245  -4.070  12.343
  832   1HB   CYS 105          HB2       CYS 105  -8.008  -2.262  12.041
  833   2HB   CYS 105          HB3       CYS 105  -7.189  -2.869  10.609
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1  -2.890  15.231   0.505
    2   2H    MET   1           H2       MET   1  -3.397  16.594   1.375
    3   3H    MET   1           H3       MET   1  -4.410  15.242   1.256
    4    HA   MET   1           HA       MET   1  -1.789  15.350   2.637
    5   1HB   MET   1          HB2       MET   1  -4.612  15.140   3.715
    6   2HB   MET   1          HB3       MET   1  -3.159  14.946   4.684
    7   1HG   MET   1          HG2       MET   1  -4.009  17.436   3.226
    8   2HG   MET   1          HG3       MET   1  -4.101  17.156   4.963
    9   1HE   MET   1          HE1       MET   1  -2.754  19.716   3.722
   10   2HE   MET   1          HE2       MET   1  -2.773  19.412   5.460
   11   3HE   MET   1          HE3       MET   1  -1.261  19.837   4.654
   12    H    GLN   2           HN       GLN   2  -4.783  13.416   2.539
   13    HA   GLN   2           HA       GLN   2  -3.363  11.059   1.729
   14   1HB   GLN   2          HB2       GLN   2  -2.960  11.255   4.245
   15   2HB   GLN   2          HB3       GLN   2  -4.684  10.971   4.433
   16   1HG   GLN   2          HG2       GLN   2  -3.386   8.931   4.739
   17   2HG   GLN   2          HG3       GLN   2  -4.483   8.813   3.361
   18   1HE2  GLN   2          HE21      GLN   2  -1.164   9.141   4.368
   19   2HE2  GLN   2          HE22      GLN   2  -0.459   8.669   2.860
   20    H    ASP   3           HN       ASP   3  -4.689  10.300   0.301
   21    HA   ASP   3           HA       ASP   3  -7.486   9.860   0.807
   22   1HB   ASP   3          HB2       ASP   3  -8.215  11.197  -1.197
   23   2HB   ASP   3          HB3       ASP   3  -7.654  12.179   0.152
   24    H    TRP   4           HN       TRP   4  -8.380   9.343  -1.720
   25    HA   TRP   4           HA       TRP   4  -7.213   6.843  -2.215
   26   1HB   TRP   4          HB2       TRP   4  -9.533   7.240  -2.765
   27   2HB   TRP   4          HB3       TRP   4  -9.091   8.480  -3.933
   28    HD1  TRP   4           HD1      TRP   4  -9.473   7.581  -6.295
   29    HE1  TRP   4           HE1      TRP   4  -9.046   5.367  -7.528
   30    HE3  TRP   4           HE3      TRP   4  -7.732   4.809  -2.379
   31    HZ2  TRP   4           HZ2      TRP   4  -8.097   2.779  -6.915
   32    HZ3  TRP   4           HZ3      TRP   4  -7.108   2.465  -2.772
   33    HH2  TRP   4           HH2      TRP   4  -7.275   1.474  -5.002
   34    H    LEU   5           HN       LEU   5  -6.632   9.975  -3.733
   35    HA   LEU   5           HA       LEU   5  -5.166   8.879  -5.936
   36   1HB   LEU   5          HB2       LEU   5  -5.234  11.688  -4.834
   37   2HB   LEU   5          HB3       LEU   5  -4.465  11.222  -6.336
   38    HG   LEU   5           HG       LEU   5  -6.523  12.222  -6.910
   39   1HD1  LEU   5          HD11      LEU   5  -6.008  10.238  -8.198
   40   2HD1  LEU   5          HD12      LEU   5  -6.884   9.239  -7.040
   41   3HD1  LEU   5          HD13      LEU   5  -7.751  10.426  -8.013
   42   1HD2  LEU   5          HD21      LEU   5  -7.881  10.394  -4.941
   43   2HD2  LEU   5          HD22      LEU   5  -7.627  12.128  -4.751
   44   3HD2  LEU   5          HD23      LEU   5  -8.689  11.528  -6.025
   45    H    THR   6           HN       THR   6  -4.370  10.176  -2.768
   46    HA   THR   6           HA       THR   6  -1.527  10.041  -3.144
   47    HB   THR   6           HB       THR   6  -3.042  10.068  -0.526
   48    HG1  THR   6           HG1      THR   6  -3.232  11.875  -2.341
   49   1HG2  THR   6          HG21      THR   6  -0.669   9.530  -0.311
   50   2HG2  THR   6          HG22      THR   6  -1.004  11.136   0.336
   51   3HG2  THR   6          HG23      THR   6  -0.248  10.965  -1.248
   52    H    PHE   7           HN       PHE   7  -3.986   8.020  -1.665
   53    HA   PHE   7           HA       PHE   7  -2.480   5.993  -0.535
   54   1HB   PHE   7          HB2       PHE   7  -4.977   6.360  -0.396
   55   2HB   PHE   7          HB3       PHE   7  -5.109   5.660  -2.001
   56    HD1  PHE   7           HD1      PHE   7  -4.969   5.010   1.509
   57    HD2  PHE   7           HD2      PHE   7  -4.323   3.276  -2.325
   58    HE1  PHE   7           HE1      PHE   7  -5.119   2.765   2.504
   59    HE2  PHE   7           HE2      PHE   7  -4.487   1.023  -1.335
   60    HZ   PHE   7           HZ       PHE   7  -4.950   0.786   1.103
   61    H    GLN   8           HN       GLN   8  -3.637   6.355  -3.850
   62    HA   GLN   8           HA       GLN   8  -2.869   3.895  -4.873
   63   1HB   GLN   8          HB2       GLN   8  -3.390   6.580  -6.015
   64   2HB   GLN   8          HB3       GLN   8  -2.582   5.394  -7.023
   65   1HG   GLN   8          HG2       GLN   8  -4.431   3.847  -6.714
   66   2HG   GLN   8          HG3       GLN   8  -5.235   5.012  -5.657
   67   1HE2  GLN   8          HE21      GLN   8  -6.158   6.849  -6.552
   68   2HE2  GLN   8          HE22      GLN   8  -6.475   6.991  -8.249
   69    H    LYS   9           HN       LYS   9  -1.101   6.982  -5.279
   70    HA   LYS   9           HA       LYS   9   1.077   5.939  -6.636
   71   1HB   LYS   9          HB2       LYS   9   1.095   8.237  -4.675
   72   2HB   LYS   9          HB3       LYS   9   2.270   7.954  -5.950
   73   1HG   LYS   9          HG2       LYS   9   0.672   8.427  -7.643
   74   2HG   LYS   9          HG3       LYS   9  -0.650   8.443  -6.471
   75   1HD   LYS   9          HD2       LYS   9   0.299  10.387  -5.392
   76   2HD   LYS   9          HD3       LYS   9   1.672  10.365  -6.498
   77   1HE   LYS   9          HE2       LYS   9   0.190  12.036  -7.293
   78   2HE   LYS   9          HE3       LYS   9   0.013  10.655  -8.375
   79   1HZ   LYS   9          HZ1       LYS   9  -1.803  11.197  -6.093
   80   2HZ   LYS   9          HZ2       LYS   9  -2.025  10.062  -7.339
   81   3HZ   LYS   9          HZ3       LYS   9  -2.104  11.720  -7.675
   82    H    LYS  10           HN       LYS  10   0.398   5.986  -3.228
   83    HA   LYS  10           HA       LYS  10   3.146   5.278  -2.561
   84   1HB   LYS  10          HB2       LYS  10   0.796   6.060  -0.849
   85   2HB   LYS  10          HB3       LYS  10   2.345   5.558  -0.186
   86   1HG   LYS  10          HG2       LYS  10   3.414   7.399  -1.479
   87   2HG   LYS  10          HG3       LYS  10   1.799   7.945  -1.936
   88   1HD   LYS  10          HD2       LYS  10   1.239   8.268   0.424
   89   2HD   LYS  10          HD3       LYS  10   2.850   7.712   0.887
   90   1HE   LYS  10          HE2       LYS  10   3.810   9.578  -0.445
   91   2HE   LYS  10          HE3       LYS  10   2.174  10.161  -0.737
   92   1HZ   LYS  10          HZ1       LYS  10   3.222  11.347   1.072
   93   2HZ   LYS  10          HZ2       LYS  10   3.472   9.903   1.919
   94   3HZ   LYS  10          HZ3       LYS  10   1.898  10.462   1.650
   95    H    HIS  11           HN       HIS  11   0.246   3.564  -3.116
   96    HA   HIS  11           HA       HIS  11   1.398   1.289  -1.648
   97   1HB   HIS  11          HB2       HIS  11  -1.470   2.196  -1.467
   98   2HB   HIS  11          HB3       HIS  11  -0.913   0.614  -0.933
   99    HD1  HIS  11           HD1      HIS  11   1.092   0.771   0.969
  100    HD2  HIS  11           HD2      HIS  11  -1.363   4.094   0.452
  101    HE1  HIS  11           HE1      HIS  11   1.363   2.148   3.056
  102    HE2  HIS  11           HE2      HIS  11   0.026   4.246   2.632
  103    H    ILE  12           HN       ILE  12   0.008   2.396  -4.528
  104    HA   ILE  12           HA       ILE  12  -0.808  -0.315  -5.294
  105    HB   ILE  12           HB       ILE  12  -1.256   2.319  -6.716
  106   1HG1  ILE  12          HG12      ILE  12  -2.601   2.108  -4.697
  107   2HG1  ILE  12          HG13      ILE  12  -3.622   1.962  -6.118
  108   1HG2  ILE  12          HG21      ILE  12  -2.249  -0.439  -7.412
  109   2HG2  ILE  12          HG22      ILE  12  -2.720   1.060  -8.215
  110   3HG2  ILE  12          HG23      ILE  12  -1.051   0.495  -8.308
  111   1HD1  ILE  12          HD11      ILE  12  -2.629  -0.315  -4.420
  112   2HD1  ILE  12          HD12      ILE  12  -4.253   0.370  -4.397
  113   3HD1  ILE  12          HD13      ILE  12  -3.665  -0.458  -5.839
  114    H    THR  13           HN       THR  13   0.711  -1.529  -6.185
  115    HA   THR  13           HA       THR  13   2.499  -0.278  -8.144
  116    HB   THR  13           HB       THR  13   3.704  -0.645  -5.964
  117    HG1  THR  13           HG1      THR  13   5.042  -0.543  -7.686
  118   1HG2  THR  13          HG21      THR  13   2.658  -2.722  -5.252
  119   2HG2  THR  13          HG22      THR  13   4.400  -2.947  -5.416
  120   3HG2  THR  13          HG23      THR  13   3.309  -3.560  -6.661
  121    H    ASN  14           HN       ASN  14   3.448  -1.824  -9.647
  122    HA   ASN  14           HA       ASN  14   1.555  -4.004 -10.222
  123   1HB   ASN  14          HB2       ASN  14   2.096  -3.669 -12.589
  124   2HB   ASN  14          HB3       ASN  14   1.502  -2.178 -11.869
  125   1HD2  ASN  14          HD21      ASN  14   3.184  -2.682 -14.236
  126   2HD2  ASN  14          HD22      ASN  14   4.614  -1.731 -13.986
  127    H    THR  15           HN       THR  15   4.280  -3.796  -8.745
  128    HA   THR  15           HA       THR  15   5.440  -6.146 -10.079
  129    HB   THR  15           HB       THR  15   6.884  -4.289 -10.639
  130    HG1  THR  15           HG1      THR  15   8.735  -5.069  -9.009
  131   1HG2  THR  15          HG21      THR  15   8.007  -2.939  -8.937
  132   2HG2  THR  15          HG22      THR  15   7.095  -3.767  -7.673
  133   3HG2  THR  15          HG23      THR  15   6.255  -2.751  -8.846
  134    H    ARG  16           HN       ARG  16   6.183  -7.762  -8.760
  135    HA   ARG  16           HA       ARG  16   5.414  -7.678  -5.971
  136   1HB   ARG  16          HB2       ARG  16   6.700  -9.780  -7.714
  137   2HB   ARG  16          HB3       ARG  16   6.486 -10.004  -5.983
  138   1HG   ARG  16          HG2       ARG  16   4.224  -9.388  -7.863
  139   2HG   ARG  16          HG3       ARG  16   4.718 -11.027  -7.426
  140   1HD   ARG  16          HD2       ARG  16   3.991  -8.928  -5.401
  141   2HD   ARG  16          HD3       ARG  16   2.814 -10.044  -6.092
  142    HE   ARG  16           HE       ARG  16   4.428 -11.829  -5.188
  143   1HH1  ARG  16          HH12      ARG  16   3.951  -8.704  -3.679
  144   2HH1  ARG  16          HH11      ARG  16   4.174  -9.298  -2.066
  145   1HH2  ARG  16          HH22      ARG  16   4.706 -12.625  -3.069
  146   2HH2  ARG  16          HH21      ARG  16   4.589 -11.545  -1.720
  147    H    ASP  17           HN       ASP  17   8.215  -7.208  -7.893
  148    HA   ASP  17           HA       ASP  17   9.885  -7.009  -5.477
  149   1HB   ASP  17          HB2       ASP  17  10.649  -8.572  -7.314
  150   2HB   ASP  17          HB3       ASP  17  10.816  -7.166  -8.356
  151    H    VAL  18           HN       VAL  18   9.408  -4.944  -4.819
  152    HA   VAL  18           HA       VAL  18   9.188  -2.763  -6.655
  153    HB   VAL  18           HB       VAL  18   9.602  -2.618  -3.659
  154   1HG1  VAL  18          HG11      VAL  18   8.553  -0.586  -5.618
  155   2HG1  VAL  18          HG12      VAL  18   8.566  -0.399  -3.865
  156   3HG1  VAL  18          HG13      VAL  18  10.090  -0.517  -4.751
  157   1HG2  VAL  18          HG21      VAL  18   7.593  -3.842  -4.008
  158   2HG2  VAL  18          HG22      VAL  18   7.160  -2.183  -3.574
  159   3HG2  VAL  18          HG23      VAL  18   7.059  -2.714  -5.255
  160    H    ASP  19           HN       ASP  19  10.730  -1.352  -7.307
  161    HA   ASP  19           HA       ASP  19  13.482  -1.754  -6.575
  162   1HB   ASP  19          HB2       ASP  19  12.715  -1.017  -8.856
  163   2HB   ASP  19          HB3       ASP  19  12.233   0.518  -8.148
  164    H    CYS  20           HN       CYS  20  12.616  -1.503  -4.262
  165    HA   CYS  20           HA       CYS  20  11.396   0.728  -3.241
  166   1HB   CYS  20          HB2       CYS  20  13.387  -0.929  -1.698
  167   2HB   CYS  20          HB3       CYS  20  11.998  -0.044  -1.069
  168    H    ASP  21           HN       ASP  21  14.910   0.082  -3.287
  169    HA   ASP  21           HA       ASP  21  15.531   2.404  -1.753
  170   1HB   ASP  21          HB2       ASP  21  17.891   1.841  -2.257
  171   2HB   ASP  21          HB3       ASP  21  16.977   0.484  -1.610
  172    H    ASN  22           HN       ASN  22  14.453   2.313  -4.806
  173    HA   ASN  22           HA       ASN  22  15.867   4.822  -5.428
  174   1HB   ASN  22          HB2       ASN  22  16.352   2.932  -7.022
  175   2HB   ASN  22          HB3       ASN  22  14.651   2.953  -7.461
  176   1HD2  ASN  22          HD21      ASN  22  13.868   4.555  -8.764
  177   2HD2  ASN  22          HD22      ASN  22  14.880   5.744  -9.520
  178    H    ILE  23           HN       ILE  23  12.878   2.986  -5.712
  179    HA   ILE  23           HA       ILE  23  11.212   5.094  -6.548
  180    HB   ILE  23           HB       ILE  23  10.560   2.562  -5.040
  181   1HG1  ILE  23          HG12      ILE  23  10.249   3.376  -7.939
  182   2HG1  ILE  23          HG13      ILE  23  11.427   2.236  -7.299
  183   1HG2  ILE  23          HG21      ILE  23   8.846   4.251  -4.577
  184   2HG2  ILE  23          HG22      ILE  23   8.632   4.502  -6.309
  185   3HG2  ILE  23          HG23      ILE  23   8.219   2.947  -5.587
  186   1HD1  ILE  23          HD11      ILE  23   9.567   1.114  -8.401
  187   2HD1  ILE  23          HD12      ILE  23   9.642   0.713  -6.686
  188   3HD1  ILE  23          HD13      ILE  23   8.440   1.863  -7.269
  189    H    LEU  24           HN       LEU  24  12.089   3.982  -3.287
  190    HA   LEU  24           HA       LEU  24  10.229   5.778  -2.022
  191   1HB   LEU  24          HB2       LEU  24  12.545   4.345  -0.732
  192   2HB   LEU  24          HB3       LEU  24  11.145   5.027   0.071
  193    HG   LEU  24           HG       LEU  24  11.259   2.562  -1.657
  194   1HD1  LEU  24          HD11      LEU  24  11.914   2.300   0.682
  195   2HD1  LEU  24          HD12      LEU  24  10.380   3.013   1.185
  196   3HD1  LEU  24          HD13      LEU  24  10.397   1.470   0.333
  197   1HD2  LEU  24          HD21      LEU  24   8.855   2.354  -1.312
  198   2HD2  LEU  24          HD22      LEU  24   8.825   3.957  -0.574
  199   3HD2  LEU  24          HD23      LEU  24   9.260   3.778  -2.274
  200    H    SER  25           HN       SER  25  13.221   6.159  -3.435
  201    HA   SER  25           HA       SER  25  14.239   8.187  -1.655
  202   1HB   SER  25          HB2       SER  25  15.182   7.472  -4.443
  203   2HB   SER  25          HB3       SER  25  16.083   8.358  -3.211
  204    HG   SER  25           HG       SER  25  16.474   5.976  -3.499
  205    H    THR  26           HN       THR  26  11.839   8.123  -3.932
  206    HA   THR  26           HA       THR  26  12.236  10.665  -5.182
  207    HB   THR  26           HB       THR  26   9.871  10.440  -5.890
  208    HG1  THR  26           HG1      THR  26   9.764   7.858  -4.771
  209   1HG2  THR  26          HG21      THR  26  10.152   8.387  -7.233
  210   2HG2  THR  26          HG22      THR  26  11.553   7.959  -6.250
  211   3HG2  THR  26          HG23      THR  26  11.590   9.408  -7.254
  212    H    ASN  27           HN       ASN  27  10.434  12.375  -4.921
  213    HA   ASN  27           HA       ASN  27  10.522  13.288  -2.217
  214   1HB   ASN  27          HB2       ASN  27  10.553  14.701  -4.349
  215   2HB   ASN  27          HB3       ASN  27   8.815  14.428  -4.429
  216   1HD2  ASN  27          HD21      ASN  27   8.244  16.536  -4.128
  217   2HD2  ASN  27          HD22      ASN  27   8.487  17.382  -2.633
  218    H    LEU  28           HN       LEU  28   8.438  11.271  -3.940
  219    HA   LEU  28           HA       LEU  28   5.963  11.842  -2.682
  220   1HB   LEU  28          HB2       LEU  28   6.189  10.605  -4.803
  221   2HB   LEU  28          HB3       LEU  28   6.964   9.286  -3.950
  222    HG   LEU  28           HG       LEU  28   4.853   8.953  -2.661
  223   1HD1  LEU  28          HD11      LEU  28   2.797   9.962  -3.532
  224   2HD1  LEU  28          HD12      LEU  28   3.904  11.174  -2.886
  225   3HD1  LEU  28          HD13      LEU  28   3.757  10.953  -4.630
  226   1HD2  LEU  28          HD21      LEU  28   5.385   7.576  -4.594
  227   2HD2  LEU  28          HD22      LEU  28   3.650   7.881  -4.499
  228   3HD2  LEU  28          HD23      LEU  28   4.638   8.766  -5.661
  229    H    PHE  29           HN       PHE  29   8.693   9.808  -1.858
  230    HA   PHE  29           HA       PHE  29   7.296   8.979   0.603
  231   1HB   PHE  29          HB2       PHE  29   9.627   7.622  -0.769
  232   2HB   PHE  29          HB3       PHE  29   8.813   7.058   0.687
  233    HD1  PHE  29           HD1      PHE  29   8.833   7.054  -2.896
  234    HD2  PHE  29           HD2      PHE  29   6.396   6.374   0.525
  235    HE1  PHE  29           HE1      PHE  29   7.247   5.778  -4.281
  236    HE2  PHE  29           HE2      PHE  29   4.811   5.096  -0.851
  237    HZ   PHE  29           HZ       PHE  29   5.273   4.769  -3.276
  238    H    HIS  30           HN       HIS  30  10.318  10.112  -0.770
  239    HA   HIS  30           HA       HIS  30  12.061  11.282   0.038
  240   1HB   HIS  30          HB2       HIS  30   9.989  12.643   0.906
  241   2HB   HIS  30          HB3       HIS  30  10.529  12.066   2.480
  242    HD1  HIS  30           HD1      HIS  30  12.612  13.162   3.479
  243    HD2  HIS  30           HD2      HIS  30  11.802  14.380  -0.415
  244    HE1  HIS  30           HE1      HIS  30  14.154  15.098   3.037
  245    HE2  HIS  30           HE2      HIS  30  13.776  15.693   0.620
  246    H    CYS  31           HN       CYS  31  12.009   8.588   0.622
  247    HA   CYS  31           HA       CYS  31  13.112   7.013   1.799
  248   1HB   CYS  31          HB2       CYS  31  14.616   9.301   3.079
  249   2HB   CYS  31          HB3       CYS  31  15.156   7.635   2.903
  250    H    LYS  32           HN       LYS  32  10.907   6.886   2.868
  251    HA   LYS  32           HA       LYS  32  10.775   7.596   5.653
  252   1HB   LYS  32          HB2       LYS  32   8.678   6.401   5.669
  253   2HB   LYS  32          HB3       LYS  32   8.760   7.420   4.241
  254   1HG   LYS  32          HG2       LYS  32   9.575   5.279   3.042
  255   2HG   LYS  32          HG3       LYS  32   8.912   4.445   4.445
  256   1HD   LYS  32          HD2       LYS  32   7.388   6.358   2.679
  257   2HD   LYS  32          HD3       LYS  32   7.285   4.599   2.606
  258   1HE   LYS  32          HE2       LYS  32   6.468   4.564   4.922
  259   2HE   LYS  32          HE3       LYS  32   6.553   6.325   4.969
  260   1HZ   LYS  32          HZ1       LYS  32   4.309   5.319   4.490
  261   2HZ   LYS  32          HZ2       LYS  32   4.920   4.879   2.968
  262   3HZ   LYS  32          HZ3       LYS  32   4.837   6.512   3.409
  263    H    ASP  33           HN       ASP  33  10.049   5.584   7.128
  264    HA   ASP  33           HA       ASP  33  12.391   3.961   7.389
  265   1HB   ASP  33          HB2       ASP  33  10.888   4.740   9.285
  266   2HB   ASP  33          HB3       ASP  33   9.724   3.532   8.754
  267    H    LYS  34           HN       LYS  34   8.983   3.114   6.766
  268    HA   LYS  34           HA       LYS  34   9.880   1.003   4.941
  269   1HB   LYS  34          HB2       LYS  34   7.879   0.602   7.166
  270   2HB   LYS  34          HB3       LYS  34   8.269  -0.575   5.927
  271   1HG   LYS  34          HG2       LYS  34  10.330  -1.048   6.836
  272   2HG   LYS  34          HG3       LYS  34  10.415   0.489   7.704
  273   1HD   LYS  34          HD2       LYS  34   9.990  -1.322   9.258
  274   2HD   LYS  34          HD3       LYS  34   8.593  -0.244   9.156
  275   1HE   LYS  34          HE2       LYS  34   7.537  -1.829   7.574
  276   2HE   LYS  34          HE3       LYS  34   8.904  -2.921   7.790
  277   1HZ   LYS  34          HZ1       LYS  34   6.962  -2.072   9.871
  278   2HZ   LYS  34          HZ2       LYS  34   8.352  -2.993  10.185
  279   3HZ   LYS  34          HZ3       LYS  34   7.124  -3.621   9.201
  280    H    ASN  35           HN       ASN  35   8.294   0.364   3.399
  281    HA   ASN  35           HA       ASN  35   5.725   1.740   3.473
  282   1HB   ASN  35          HB2       ASN  35   7.361   3.158   2.120
  283   2HB   ASN  35          HB3       ASN  35   7.375   1.845   0.951
  284   1HD2  ASN  35          HD21      ASN  35   5.581   1.467  -0.299
  285   2HD2  ASN  35          HD22      ASN  35   4.260   2.583  -0.412
  286    H    THR  36           HN       THR  36   4.384   0.058   3.410
  287    HA   THR  36           HA       THR  36   5.014  -2.328   1.922
  288    HB   THR  36           HB       THR  36   2.438  -1.650   3.350
  289    HG1  THR  36           HG1      THR  36   4.956  -2.280   4.321
  290   1HG2  THR  36          HG21      THR  36   2.253  -3.549   1.841
  291   2HG2  THR  36          HG22      THR  36   2.229  -4.111   3.514
  292   3HG2  THR  36          HG23      THR  36   3.694  -4.279   2.545
  293    H    PHE  37           HN       PHE  37   4.706  -2.418  -0.191
  294    HA   PHE  37           HA       PHE  37   2.605  -0.839  -1.476
  295   1HB   PHE  37          HB2       PHE  37   4.810  -2.565  -2.632
  296   2HB   PHE  37          HB3       PHE  37   3.644  -1.673  -3.593
  297    HD1  PHE  37           HD1      PHE  37   6.542  -1.388  -1.345
  298    HD2  PHE  37           HD2      PHE  37   3.860   0.661  -3.943
  299    HE1  PHE  37           HE1      PHE  37   7.987   0.591  -1.275
  300    HE2  PHE  37           HE2      PHE  37   5.315   2.637  -3.880
  301    HZ   PHE  37           HZ       PHE  37   7.500   2.501  -2.693
  302    H    ILE  38           HN       ILE  38   1.168  -1.843  -2.980
  303    HA   ILE  38           HA       ILE  38   0.492  -4.618  -2.261
  304    HB   ILE  38           HB       ILE  38  -1.357  -2.404  -3.176
  305   1HG1  ILE  38          HG12      ILE  38  -1.215  -3.679  -0.440
  306   2HG1  ILE  38          HG13      ILE  38  -0.383  -2.183  -0.848
  307   1HG2  ILE  38          HG21      ILE  38  -2.000  -5.189  -2.210
  308   2HG2  ILE  38          HG22      ILE  38  -3.173  -3.944  -2.652
  309   3HG2  ILE  38          HG23      ILE  38  -2.103  -4.627  -3.880
  310   1HD1  ILE  38          HD11      ILE  38  -2.506  -1.113  -1.335
  311   2HD1  ILE  38          HD12      ILE  38  -3.359  -2.615  -0.977
  312   3HD1  ILE  38          HD13      ILE  38  -2.488  -1.769   0.302
  313    H    TYR  39           HN       TYR  39   0.919  -5.976  -3.890
  314    HA   TYR  39           HA       TYR  39   1.109  -5.053  -6.612
  315   1HB   TYR  39          HB2       TYR  39   2.626  -6.806  -5.893
  316   2HB   TYR  39          HB3       TYR  39   1.276  -7.833  -5.427
  317    HD1  TYR  39           HD1      TYR  39   2.560  -6.036  -8.453
  318    HD2  TYR  39           HD2      TYR  39   0.652  -9.508  -6.893
  319    HE1  TYR  39           HE1      TYR  39   2.556  -7.040 -10.696
  320    HE2  TYR  39           HE2      TYR  39   0.644 -10.511  -9.135
  321    HH   TYR  39           HH       TYR  39   0.772  -9.889 -11.435
  322    H    SER  40           HN       SER  40  -0.947  -4.218  -6.828
  323    HA   SER  40           HA       SER  40  -2.841  -5.955  -8.037
  324   1HB   SER  40          HB2       SER  40  -3.510  -4.763  -5.328
  325   2HB   SER  40          HB3       SER  40  -4.747  -5.268  -6.477
  326    HG   SER  40           HG       SER  40  -2.721  -7.086  -5.840
  327    H    ARG  41           HN       ARG  41  -4.511  -4.685  -9.100
  328    HA   ARG  41           HA       ARG  41  -3.542  -2.071  -9.759
  329   1HB   ARG  41          HB2       ARG  41  -5.905  -3.681 -10.678
  330   2HB   ARG  41          HB3       ARG  41  -5.677  -2.010 -11.172
  331   1HG   ARG  41          HG2       ARG  41  -3.807  -4.302 -11.671
  332   2HG   ARG  41          HG3       ARG  41  -4.799  -3.462 -12.865
  333   1HD   ARG  41          HD2       ARG  41  -3.586  -1.378 -12.359
  334   2HD   ARG  41          HD3       ARG  41  -2.559  -2.265 -11.237
  335    HE   ARG  41           HE       ARG  41  -2.056  -3.639 -13.400
  336   1HH1  ARG  41          HH12      ARG  41  -2.529  -0.175 -13.108
  337   2HH1  ARG  41          HH11      ARG  41  -1.448   0.213 -14.411
  338   1HH2  ARG  41          HH22      ARG  41  -0.627  -3.133 -15.122
  339   2HH2  ARG  41          HH21      ARG  41  -0.385  -1.468 -15.584
  340    HA   PRO  42           HA       PRO  42  -5.743   0.540  -7.074
  341   1HB   PRO  42          HB2       PRO  42  -6.898   2.316  -8.873
  342   2HB   PRO  42          HB3       PRO  42  -5.261   2.437  -8.234
  343   1HG   PRO  42          HG2       PRO  42  -6.223   1.377 -10.842
  344   2HG   PRO  42          HG3       PRO  42  -4.741   2.269 -10.471
  345   1HD   PRO  42          HD2       PRO  42  -4.752  -0.391 -10.904
  346   2HD   PRO  42          HD3       PRO  42  -3.634   0.378  -9.758
  347    H    GLU  43           HN       GLU  43  -7.544  -0.721  -9.825
  348    HA   GLU  43           HA       GLU  43 -10.060   0.198  -8.863
  349   1HB   GLU  43          HB2       GLU  43  -9.284  -1.724 -11.039
  350   2HB   GLU  43          HB3       GLU  43 -10.945  -1.302 -10.683
  351   1HG   GLU  43          HG2       GLU  43  -8.750   0.487 -11.667
  352   2HG   GLU  43          HG3       GLU  43 -10.271   0.090 -12.466
  353    HA   PRO  44           HA       PRO  44 -10.703  -4.468  -7.560
  354   1HB   PRO  44          HB2       PRO  44  -8.341  -5.791  -7.059
  355   2HB   PRO  44          HB3       PRO  44  -9.296  -5.969  -8.531
  356   1HG   PRO  44          HG2       PRO  44  -6.878  -4.285  -8.031
  357   2HG   PRO  44          HG3       PRO  44  -7.297  -5.257  -9.456
  358   1HD   PRO  44          HD2       PRO  44  -7.626  -2.592  -9.446
  359   2HD   PRO  44          HD3       PRO  44  -8.767  -3.662 -10.259
  360    H    VAL  45           HN       VAL  45  -8.142  -2.349  -6.466
  361    HA   VAL  45           HA       VAL  45  -8.429  -3.248  -3.708
  362    HB   VAL  45           HB       VAL  45  -6.765  -1.013  -4.889
  363   1HG1  VAL  45          HG11      VAL  45  -5.650  -0.932  -2.688
  364   2HG1  VAL  45          HG12      VAL  45  -7.345  -0.446  -2.605
  365   3HG1  VAL  45          HG13      VAL  45  -6.859  -2.051  -2.057
  366   1HG2  VAL  45          HG21      VAL  45  -4.879  -2.495  -4.385
  367   2HG2  VAL  45          HG22      VAL  45  -6.007  -3.731  -3.832
  368   3HG2  VAL  45          HG23      VAL  45  -6.006  -3.232  -5.522
  369    H    LYS  46           HN       LYS  46  -9.349  -0.550  -5.755
  370    HA   LYS  46           HA       LYS  46 -10.586   1.042  -3.779
  371   1HB   LYS  46          HB2       LYS  46 -10.002   1.673  -6.174
  372   2HB   LYS  46          HB3       LYS  46 -11.435   0.783  -6.665
  373   1HG   LYS  46          HG2       LYS  46 -12.835   2.287  -5.359
  374   2HG   LYS  46          HG3       LYS  46 -11.399   3.177  -4.837
  375   1HD   LYS  46          HD2       LYS  46 -10.892   3.629  -7.233
  376   2HD   LYS  46          HD3       LYS  46 -12.434   2.883  -7.655
  377   1HE   LYS  46          HE2       LYS  46 -13.576   4.571  -6.243
  378   2HE   LYS  46          HE3       LYS  46 -12.018   5.338  -5.958
  379   1HZ   LYS  46          HZ1       LYS  46 -13.101   4.911  -8.678
  380   2HZ   LYS  46          HZ2       LYS  46 -11.823   5.921  -8.209
  381   3HZ   LYS  46          HZ3       LYS  46 -13.418   6.316  -7.785
  382    H    ALA  47           HN       ALA  47 -11.555  -1.758  -5.593
  383    HA   ALA  47           HA       ALA  47 -14.328  -1.678  -5.140
  384   1HB   ALA  47          HB1       ALA  47 -12.579  -4.086  -5.627
  385   2HB   ALA  47          HB2       ALA  47 -14.330  -4.011  -5.822
  386   3HB   ALA  47          HB3       ALA  47 -13.283  -3.058  -6.874
  387    H    ILE  48           HN       ILE  48 -11.719  -2.504  -3.051
  388    HA   ILE  48           HA       ILE  48 -13.089  -4.234  -1.278
  389    HB   ILE  48           HB       ILE  48 -10.820  -2.342  -0.594
  390   1HG1  ILE  48          HG12      ILE  48 -10.687  -5.229  -1.502
  391   2HG1  ILE  48          HG13      ILE  48 -10.350  -3.851  -2.544
  392   1HG2  ILE  48          HG21      ILE  48 -10.346  -3.954   1.188
  393   2HG2  ILE  48          HG22      ILE  48 -11.964  -3.269   1.353
  394   3HG2  ILE  48          HG23      ILE  48 -11.757  -4.898   0.709
  395   1HD1  ILE  48          HD11      ILE  48  -8.836  -4.605  -0.062
  396   2HD1  ILE  48          HD12      ILE  48  -8.310  -4.859  -1.725
  397   3HD1  ILE  48          HD13      ILE  48  -8.493  -3.221  -1.100
  398    H    CYS  49           HN       CYS  49 -12.916  -0.773  -1.654
  399    HA   CYS  49           HA       CYS  49 -14.438  -0.359   0.810
  400   1HB   CYS  49          HB2       CYS  49 -13.039   1.587  -1.031
  401   2HB   CYS  49          HB3       CYS  49 -13.878   2.027   0.453
  402    H    LYS  50           HN       LYS  50 -15.257  -1.196  -2.129
  403    HA   LYS  50           HA       LYS  50 -16.997   0.794  -3.082
  404   1HB   LYS  50          HB2       LYS  50 -16.178  -1.091  -4.453
  405   2HB   LYS  50          HB3       LYS  50 -17.168  -2.193  -3.504
  406   1HG   LYS  50          HG2       LYS  50 -19.176  -1.237  -4.328
  407   2HG   LYS  50          HG3       LYS  50 -18.310   0.119  -5.049
  408   1HD   LYS  50          HD2       LYS  50 -18.927  -1.424  -6.787
  409   2HD   LYS  50          HD3       LYS  50 -17.178  -1.473  -6.574
  410   1HE   LYS  50          HE2       LYS  50 -18.016  -3.717  -6.845
  411   2HE   LYS  50          HE3       LYS  50 -17.436  -3.504  -5.195
  412   1HZ   LYS  50          HZ1       LYS  50 -20.288  -3.190  -5.923
  413   2HZ   LYS  50          HZ2       LYS  50 -19.613  -3.392  -4.377
  414   3HZ   LYS  50          HZ3       LYS  50 -19.620  -4.684  -5.472
  415    H    GLY  51           HN       GLY  51 -18.662   1.588  -2.064
  416   1HA   GLY  51          HA1       GLY  51 -20.923   1.357  -1.351
  417   2HA   GLY  51          HA2       GLY  51 -20.538  -0.254  -0.766
  418    H    ILE  52           HN       ILE  52 -17.988   1.507   0.204
  419    HA   ILE  52           HA       ILE  52 -19.196   1.935   2.847
  420    HB   ILE  52           HB       ILE  52 -16.244   1.933   2.239
  421   1HG1  ILE  52          HG12      ILE  52 -17.119  -0.216   1.482
  422   2HG1  ILE  52          HG13      ILE  52 -16.199  -0.424   2.966
  423   1HG2  ILE  52          HG21      ILE  52 -16.869   2.909   4.361
  424   2HG2  ILE  52          HG22      ILE  52 -17.818   1.478   4.769
  425   3HG2  ILE  52          HG23      ILE  52 -16.063   1.361   4.626
  426   1HD1  ILE  52          HD11      ILE  52 -19.197  -0.318   2.767
  427   2HD1  ILE  52          HD12      ILE  52 -18.223  -1.775   2.950
  428   3HD1  ILE  52          HD13      ILE  52 -18.262  -0.573   4.241
  429    H    ILE  53           HN       ILE  53 -20.078   3.972   2.633
  430    HA   ILE  53           HA       ILE  53 -18.555   6.123   1.488
  431    HB   ILE  53           HB       ILE  53 -21.295   5.938   2.706
  432   1HG1  ILE  53          HG12      ILE  53 -21.982   6.657   0.450
  433   2HG1  ILE  53          HG13      ILE  53 -20.303   6.701  -0.052
  434   1HG2  ILE  53          HG21      ILE  53 -20.414   8.069   3.434
  435   2HG2  ILE  53          HG22      ILE  53 -19.897   8.447   1.789
  436   3HG2  ILE  53          HG23      ILE  53 -21.617   8.320   2.167
  437   1HD1  ILE  53          HD11      ILE  53 -21.347   4.716  -0.882
  438   2HD1  ILE  53          HD12      ILE  53 -20.175   4.271   0.359
  439   3HD1  ILE  53          HD13      ILE  53 -21.899   4.280   0.736
  440    H    ALA  54           HN       ALA  54 -19.737   5.280   4.740
  441    HA   ALA  54           HA       ALA  54 -18.492   7.567   5.953
  442   1HB   ALA  54          HB1       ALA  54 -19.547   5.048   7.238
  443   2HB   ALA  54          HB2       ALA  54 -19.145   6.552   8.067
  444   3HB   ALA  54          HB3       ALA  54 -20.485   6.507   6.922
  445    H    SER  55           HN       SER  55 -16.536   7.733   6.904
  446    HA   SER  55           HA       SER  55 -14.403   6.118   6.224
  447   1HB   SER  55          HB2       SER  55 -14.325   8.459   7.191
  448   2HB   SER  55          HB3       SER  55 -14.559   7.730   8.779
  449    HG   SER  55           HG       SER  55 -12.413   7.279   6.982
  450    H    LYS  56           HN       LYS  56 -14.371   3.987   6.581
  451    HA   LYS  56           HA       LYS  56 -14.643   3.037   9.343
  452   1HB   LYS  56          HB2       LYS  56 -16.812   2.673   8.324
  453   2HB   LYS  56          HB3       LYS  56 -16.067   1.922   6.922
  454   1HG   LYS  56          HG2       LYS  56 -15.309   0.065   8.314
  455   2HG   LYS  56          HG3       LYS  56 -16.060   0.818   9.723
  456   1HD   LYS  56          HD2       LYS  56 -18.248   0.637   8.677
  457   2HD   LYS  56          HD3       LYS  56 -17.515  -0.042   7.223
  458   1HE   LYS  56          HE2       LYS  56 -16.772  -1.979   8.458
  459   2HE   LYS  56          HE3       LYS  56 -17.378  -1.290   9.964
  460   1HZ   LYS  56          HZ1       LYS  56 -19.005  -2.131   7.621
  461   2HZ   LYS  56          HZ2       LYS  56 -19.625  -1.358   8.999
  462   3HZ   LYS  56          HZ3       LYS  56 -18.926  -2.899   9.137
  463    H    ASN  57           HN       ASN  57 -13.094   1.636   9.895
  464    HA   ASN  57           HA       ASN  57 -11.107   0.815   7.996
  465   1HB   ASN  57          HB2       ASN  57 -11.553   0.024  10.884
  466   2HB   ASN  57          HB3       ASN  57 -10.164  -0.471   9.925
  467   1HD2  ASN  57          HD21      ASN  57 -10.305   1.061  12.372
  468   2HD2  ASN  57          HD22      ASN  57  -9.514   2.570  12.041
  469    H    VAL  58           HN       VAL  58 -11.292  -0.872   6.664
  470    HA   VAL  58           HA       VAL  58 -12.898  -3.155   7.600
  471    HB   VAL  58           HB       VAL  58 -13.674  -3.610   5.395
  472   1HG1  VAL  58          HG11      VAL  58 -13.967  -0.665   5.919
  473   2HG1  VAL  58          HG12      VAL  58 -15.008  -1.640   4.885
  474   3HG1  VAL  58          HG13      VAL  58 -14.953  -1.947   6.621
  475   1HG2  VAL  58          HG21      VAL  58 -11.654  -3.016   4.168
  476   2HG2  VAL  58          HG22      VAL  58 -13.092  -2.294   3.446
  477   3HG2  VAL  58          HG23      VAL  58 -12.005  -1.306   4.422
  478    H    LEU  59           HN       LEU  59 -12.005  -5.104   7.476
  479    HA   LEU  59           HA       LEU  59  -9.252  -5.316   6.538
  480   1HB   LEU  59          HB2       LEU  59 -10.008  -6.009   8.860
  481   2HB   LEU  59          HB3       LEU  59 -10.893  -7.304   8.100
  482    HG   LEU  59           HG       LEU  59  -8.600  -7.809   9.138
  483   1HD1  LEU  59          HD11      LEU  59  -8.108  -9.492   7.461
  484   2HD1  LEU  59          HD12      LEU  59  -9.836  -9.402   7.803
  485   3HD1  LEU  59          HD13      LEU  59  -9.190  -8.680   6.329
  486   1HD2  LEU  59          HD21      LEU  59  -6.699  -7.491   7.646
  487   2HD2  LEU  59          HD22      LEU  59  -7.725  -6.576   6.542
  488   3HD2  LEU  59          HD23      LEU  59  -7.396  -5.954   8.159
  489    H    THR  60           HN       THR  60  -8.685  -6.662   4.861
  490    HA   THR  60           HA       THR  60 -10.773  -7.129   2.973
  491    HB   THR  60           HB       THR  60  -8.983  -8.042   1.508
  492    HG1  THR  60           HG1      THR  60  -7.297  -8.794   2.524
  493   1HG2  THR  60          HG21      THR  60  -9.462  -5.659   1.488
  494   2HG2  THR  60          HG22      THR  60  -7.733  -5.939   1.276
  495   3HG2  THR  60          HG23      THR  60  -8.355  -5.409   2.838
  496    H    THR  61           HN       THR  61 -11.565  -8.978   2.157
  497    HA   THR  61           HA       THR  61 -11.824 -11.169   3.937
  498    HB   THR  61           HB       THR  61 -13.099 -12.134   1.945
  499    HG1  THR  61           HG1      THR  61 -13.573 -10.420   0.350
  500   1HG2  THR  61          HG21      THR  61 -13.845  -9.401   3.001
  501   2HG2  THR  61          HG22      THR  61 -14.234 -10.952   3.749
  502   3HG2  THR  61          HG23      THR  61 -14.952 -10.515   2.198
  503    H    SER  62           HN       SER  62  -9.663 -10.415   1.429
  504    HA   SER  62           HA       SER  62  -8.704 -13.180   1.290
  505   1HB   SER  62          HB2       SER  62  -8.878 -11.280  -1.065
  506   2HB   SER  62          HB3       SER  62  -8.353 -12.964  -1.102
  507    HG   SER  62           HG       SER  62 -10.513 -13.500  -0.345
  508    H    GLU  63           HN       GLU  63  -6.446 -13.373   0.737
  509    HA   GLU  63           HA       GLU  63  -4.879 -11.170   1.768
  510   1HB   GLU  63          HB2       GLU  63  -3.859 -13.832   0.768
  511   2HB   GLU  63          HB3       GLU  63  -3.016 -12.681   1.783
  512   1HG   GLU  63          HG2       GLU  63  -3.663 -14.409   3.211
  513   2HG   GLU  63          HG3       GLU  63  -4.794 -13.099   3.529
  514    H    PHE  64           HN       PHE  64  -3.673  -9.829   0.587
  515    HA   PHE  64           HA       PHE  64  -3.653 -10.260  -2.318
  516   1HB   PHE  64          HB2       PHE  64  -3.420  -7.760  -0.655
  517   2HB   PHE  64          HB3       PHE  64  -3.047  -7.786  -2.372
  518    HD1  PHE  64           HD1      PHE  64  -4.743  -7.576  -3.964
  519    HD2  PHE  64           HD2      PHE  64  -5.760  -8.426   0.080
  520    HE1  PHE  64           HE1      PHE  64  -7.120  -7.217  -4.489
  521    HE2  PHE  64           HE2      PHE  64  -8.138  -8.071  -0.440
  522    HZ   PHE  64           HZ       PHE  64  -8.820  -7.466  -2.727
  523    H    TYR  65           HN       TYR  65  -1.678  -9.368  -3.417
  524    HA   TYR  65           HA       TYR  65   0.617 -10.605  -2.168
  525   1HB   TYR  65          HB2       TYR  65   0.370  -9.273  -4.873
  526   2HB   TYR  65          HB3       TYR  65   1.711 -10.276  -4.328
  527    HD1  TYR  65           HD1      TYR  65  -1.400 -10.238  -6.023
  528    HD2  TYR  65           HD2      TYR  65   1.121 -12.704  -3.643
  529    HE1  TYR  65           HE1      TYR  65  -2.561 -12.236  -6.869
  530    HE2  TYR  65           HE2      TYR  65  -0.030 -14.703  -4.484
  531    HH   TYR  65           HH       TYR  65  -2.115 -15.351  -5.475
  532    H    LEU  66           HN       LEU  66   1.495  -9.377  -0.616
  533    HA   LEU  66           HA       LEU  66   1.714  -6.497  -1.090
  534   1HB   LEU  66          HB2       LEU  66   2.085  -8.032   1.475
  535   2HB   LEU  66          HB3       LEU  66   2.009  -6.287   1.302
  536    HG   LEU  66           HG       LEU  66  -0.249  -8.203   0.742
  537   1HD1  LEU  66          HD11      LEU  66   0.164  -6.258   3.005
  538   2HD1  LEU  66          HD12      LEU  66  -1.285  -7.224   2.723
  539   3HD1  LEU  66          HD13      LEU  66   0.241  -8.017   3.118
  540   1HD2  LEU  66          HD21      LEU  66  -0.158  -5.192   0.681
  541   2HD2  LEU  66          HD22      LEU  66  -0.381  -6.266  -0.700
  542   3HD2  LEU  66          HD23      LEU  66  -1.620  -6.170   0.551
  543    H    SER  67           HN       SER  67   3.612  -5.441  -1.077
  544    HA   SER  67           HA       SER  67   6.052  -7.003  -0.544
  545   1HB   SER  67          HB2       SER  67   5.637  -4.961  -2.748
  546   2HB   SER  67          HB3       SER  67   7.160  -5.768  -2.380
  547    HG   SER  67           HG       SER  67   6.466  -7.201  -3.754
  548    H    ASP  68           HN       ASP  68   6.867  -6.176   1.264
  549    HA   ASP  68           HA       ASP  68   6.359  -3.354   1.861
  550   1HB   ASP  68          HB2       ASP  68   5.576  -4.914   3.539
  551   2HB   ASP  68          HB3       ASP  68   7.171  -5.652   3.639
  552    H    CYS  69           HN       CYS  69   7.915  -1.972   1.458
  553    HA   CYS  69           HA       CYS  69  10.671  -2.894   1.267
  554   1HB   CYS  69          HB2       CYS  69   9.425  -0.190   0.724
  555   2HB   CYS  69          HB3       CYS  69  11.096  -0.620   0.385
  556    H    ASN  70           HN       ASN  70  11.985  -2.787   2.963
  557    HA   ASN  70           HA       ASN  70  11.397  -0.798   5.056
  558   1HB   ASN  70          HB2       ASN  70  12.139  -2.512   6.729
  559   2HB   ASN  70          HB3       ASN  70  10.633  -2.905   5.910
  560   1HD2  ASN  70          HD21      ASN  70  10.581  -4.617   4.455
  561   2HD2  ASN  70          HD22      ASN  70  11.842  -5.797   4.378
  562    H    VAL  71           HN       VAL  71  13.062   0.175   6.041
  563    HA   VAL  71           HA       VAL  71  15.482   0.418   4.607
  564    HB   VAL  71           HB       VAL  71  14.444   2.231   5.930
  565   1HG1  VAL  71          HG11      VAL  71  13.716   0.973   7.863
  566   2HG1  VAL  71          HG12      VAL  71  15.392   0.680   8.331
  567   3HG1  VAL  71          HG13      VAL  71  14.742   2.322   8.352
  568   1HG2  VAL  71          HG21      VAL  71  16.764   2.444   5.297
  569   2HG2  VAL  71          HG22      VAL  71  16.521   3.126   6.905
  570   3HG2  VAL  71          HG23      VAL  71  17.270   1.538   6.724
  571    H    THR  72           HN       THR  72  17.485  -0.457   4.917
  572    HA   THR  72           HA       THR  72  17.560  -2.743   6.737
  573    HB   THR  72           HB       THR  72  19.575  -3.438   5.414
  574    HG1  THR  72           HG1      THR  72  19.925  -2.360   3.422
  575   1HG2  THR  72          HG21      THR  72  17.016  -2.985   3.878
  576   2HG2  THR  72          HG22      THR  72  17.381  -4.359   4.923
  577   3HG2  THR  72          HG23      THR  72  18.287  -4.121   3.429
  578    H    SER  73           HN       SER  73  20.530  -1.365   5.619
  579    HA   SER  73           HA       SER  73  21.252  -0.802   8.406
  580   1HB   SER  73          HB2       SER  73  23.073  -1.329   6.082
  581   2HB   SER  73          HB3       SER  73  23.549  -1.195   7.769
  582    HG   SER  73           HG       SER  73  22.684  -3.345   6.436
  583    H    ARG  74           HN       ARG  74  20.941   0.619   5.279
  584    HA   ARG  74           HA       ARG  74  22.213   3.075   6.246
  585   1HB   ARG  74          HB2       ARG  74  23.433   2.353   4.350
  586   2HB   ARG  74          HB3       ARG  74  21.972   1.878   3.490
  587   1HG   ARG  74          HG2       ARG  74  21.330   4.292   3.486
  588   2HG   ARG  74          HG3       ARG  74  22.960   4.654   4.054
  589   1HD   ARG  74          HD2       ARG  74  23.898   3.610   2.061
  590   2HD   ARG  74          HD3       ARG  74  22.277   3.185   1.507
  591    HE   ARG  74           HE       ARG  74  23.335   5.931   1.726
  592   1HH1  ARG  74          HH12      ARG  74  21.098   3.616   0.352
  593   2HH1  ARG  74          HH11      ARG  74  20.394   4.759  -0.751
  594   1HH2  ARG  74          HH22      ARG  74  22.433   7.431   0.260
  595   2HH2  ARG  74          HH21      ARG  74  21.164   6.914  -0.814
  596    HA   PRO  75           HA       PRO  75  18.127   4.915   6.196
  597   1HB   PRO  75          HB2       PRO  75  19.746   7.352   5.626
  598   2HB   PRO  75          HB3       PRO  75  18.495   7.092   6.848
  599   1HG   PRO  75          HG2       PRO  75  21.062   7.148   7.536
  600   2HG   PRO  75          HG3       PRO  75  19.947   5.991   8.287
  601   1HD   PRO  75          HD2       PRO  75  22.012   5.537   6.174
  602   2HD   PRO  75          HD3       PRO  75  21.522   4.485   7.518
  603    H    CYS  76           HN       CYS  76  16.783   5.002   4.550
  604    HA   CYS  76           HA       CYS  76  15.878   5.320   2.503
  605   1HB   CYS  76          HB2       CYS  76  17.106   7.534   2.609
  606   2HB   CYS  76          HB3       CYS  76  18.379   6.783   1.660
  607    H    LYS  77           HN       LYS  77  18.189   3.270   3.200
  608    HA   LYS  77           HA       LYS  77  18.153   2.121   0.483
  609   1HB   LYS  77          HB2       LYS  77  20.436   2.374   1.474
  610   2HB   LYS  77          HB3       LYS  77  19.942   1.325   2.798
  611   1HG   LYS  77          HG2       LYS  77  19.456  -0.446   1.097
  612   2HG   LYS  77          HG3       LYS  77  20.196   0.604  -0.110
  613   1HD   LYS  77          HD2       LYS  77  22.283   0.591   1.211
  614   2HD   LYS  77          HD3       LYS  77  21.528  -0.533   2.344
  615   1HE   LYS  77          HE2       LYS  77  21.185  -2.122   0.475
  616   2HE   LYS  77          HE3       LYS  77  22.050  -1.014  -0.589
  617   1HZ   LYS  77          HZ1       LYS  77  23.166  -2.360   1.811
  618   2HZ   LYS  77          HZ2       LYS  77  24.006  -1.259   0.835
  619   3HZ   LYS  77          HZ3       LYS  77  23.509  -2.751   0.196
  620    H    TYR  78           HN       TYR  78  17.059   0.195   0.199
  621    HA   TYR  78           HA       TYR  78  15.701  -0.825   2.601
  622   1HB   TYR  78          HB2       TYR  78  14.353  -0.272  -0.044
  623   2HB   TYR  78          HB3       TYR  78  13.587  -0.876   1.421
  624    HD1  TYR  78           HD1      TYR  78  13.148   0.598   3.291
  625    HD2  TYR  78           HD2      TYR  78  14.961   2.054  -0.268
  626    HE1  TYR  78           HE1      TYR  78  12.678   2.899   4.002
  627    HE2  TYR  78           HE2      TYR  78  14.494   4.361   0.433
  628    HH   TYR  78           HH       TYR  78  13.226   5.612   1.878
  629    H    LYS  79           HN       LYS  79  14.812  -2.902   2.455
  630    HA   LYS  79           HA       LYS  79  15.391  -4.421   0.015
  631   1HB   LYS  79          HB2       LYS  79  17.004  -5.029   1.858
  632   2HB   LYS  79          HB3       LYS  79  15.628  -5.571   2.806
  633   1HG   LYS  79          HG2       LYS  79  16.927  -7.355   1.578
  634   2HG   LYS  79          HG3       LYS  79  15.179  -7.354   1.338
  635   1HD   LYS  79          HD2       LYS  79  16.392  -7.709  -0.767
  636   2HD   LYS  79          HD3       LYS  79  15.446  -6.223  -0.797
  637   1HE   LYS  79          HE2       LYS  79  17.538  -4.987  -0.187
  638   2HE   LYS  79          HE3       LYS  79  18.422  -6.496  -0.408
  639   1HZ   LYS  79          HZ1       LYS  79  17.601  -6.552  -2.718
  640   2HZ   LYS  79          HZ2       LYS  79  18.550  -5.189  -2.400
  641   3HZ   LYS  79          HZ3       LYS  79  16.867  -5.040  -2.488
  642    H    LEU  80           HN       LEU  80  13.912  -6.372  -0.099
  643    HA   LEU  80           HA       LEU  80  11.269  -5.303   0.402
  644   1HB   LEU  80          HB2       LEU  80  12.467  -7.227  -1.510
  645   2HB   LEU  80          HB3       LEU  80  10.769  -7.396  -1.127
  646    HG   LEU  80           HG       LEU  80  11.719  -4.710  -1.856
  647   1HD1  LEU  80          HD11      LEU  80  12.821  -6.138  -3.507
  648   2HD1  LEU  80          HD12      LEU  80  11.277  -6.915  -3.862
  649   3HD1  LEU  80          HD13      LEU  80  11.514  -5.208  -4.240
  650   1HD2  LEU  80          HD21      LEU  80   9.244  -6.285  -2.521
  651   2HD2  LEU  80          HD22      LEU  80   9.400  -5.123  -1.204
  652   3HD2  LEU  80          HD23      LEU  80   9.522  -4.580  -2.877
  653    H    LYS  81           HN       LYS  81   9.584  -6.429   1.203
  654    HA   LYS  81           HA       LYS  81  10.092  -9.080   2.375
  655   1HB   LYS  81          HB2       LYS  81   9.864  -7.333   4.141
  656   2HB   LYS  81          HB3       LYS  81   8.280  -6.926   3.501
  657   1HG   LYS  81          HG2       LYS  81   7.533  -9.233   4.008
  658   2HG   LYS  81          HG3       LYS  81   9.103  -9.537   4.753
  659   1HD   LYS  81          HD2       LYS  81   7.655  -8.964   6.533
  660   2HD   LYS  81          HD3       LYS  81   8.623  -7.519   6.227
  661   1HE   LYS  81          HE2       LYS  81   6.643  -6.899   4.632
  662   2HE   LYS  81          HE3       LYS  81   5.744  -8.040   5.631
  663   1HZ   LYS  81          HZ1       LYS  81   6.485  -6.716   7.588
  664   2HZ   LYS  81          HZ2       LYS  81   5.457  -5.877   6.536
  665   3HZ   LYS  81          HZ3       LYS  81   7.124  -5.566   6.517
  666    H    LYS  82           HN       LYS  82   9.143 -10.345   0.900
  667    HA   LYS  82           HA       LYS  82   6.667  -9.447  -0.371
  668   1HB   LYS  82          HB2       LYS  82   8.541 -11.713  -1.088
  669   2HB   LYS  82          HB3       LYS  82   7.152 -11.191  -2.035
  670   1HG   LYS  82          HG2       LYS  82   8.175  -9.154  -2.609
  671   2HG   LYS  82          HG3       LYS  82   9.425  -9.344  -1.380
  672   1HD   LYS  82          HD2       LYS  82  10.348 -11.242  -2.613
  673   2HD   LYS  82          HD3       LYS  82   9.087 -11.065  -3.831
  674   1HE   LYS  82          HE2       LYS  82   9.919  -8.863  -4.414
  675   2HE   LYS  82          HE3       LYS  82  11.119  -8.952  -3.128
  676   1HZ   LYS  82          HZ1       LYS  82  11.006 -10.721  -5.515
  677   2HZ   LYS  82          HZ2       LYS  82  12.169 -10.801  -4.283
  678   3HZ   LYS  82          HZ3       LYS  82  12.091  -9.433  -5.288
  679    H    SER  83           HN       SER  83   4.829 -10.159   0.455
  680    HA   SER  83           HA       SER  83   4.557 -12.933   1.254
  681   1HB   SER  83          HB2       SER  83   3.532 -12.197   3.472
  682   2HB   SER  83          HB3       SER  83   5.287 -12.056   3.346
  683    HG   SER  83           HG       SER  83   3.434  -9.941   2.923
  684    H    THR  84           HN       THR  84   2.343 -13.563   1.544
  685    HA   THR  84           HA       THR  84   0.451 -11.728   0.230
  686    HB   THR  84           HB       THR  84   0.139 -14.719   0.550
  687    HG1  THR  84           HG1      THR  84   2.062 -13.812  -0.730
  688   1HG2  THR  84          HG21      THR  84  -1.110 -12.709  -1.335
  689   2HG2  THR  84          HG22      THR  84  -1.910 -13.494   0.029
  690   3HG2  THR  84          HG23      THR  84  -1.395 -14.450  -1.362
  691    H    ASN  85           HN       ASN  85  -0.911 -10.754   1.588
  692    HA   ASN  85           HA       ASN  85  -2.055 -12.186   3.837
  693   1HB   ASN  85          HB2       ASN  85   0.217 -10.839   4.428
  694   2HB   ASN  85          HB3       ASN  85  -0.970  -9.560   4.589
  695   1HD2  ASN  85          HD21      ASN  85   0.645 -10.745   6.646
  696   2HD2  ASN  85          HD22      ASN  85  -0.454 -11.411   7.809
  697    H    LYS  86           HN       LYS  86  -3.887 -11.069   4.760
  698    HA   LYS  86           HA       LYS  86  -5.287  -9.345   2.966
  699   1HB   LYS  86          HB2       LYS  86  -5.937  -9.626   5.889
  700   2HB   LYS  86          HB3       LYS  86  -7.036  -9.395   4.538
  701   1HG   LYS  86          HG2       LYS  86  -6.542 -11.703   3.796
  702   2HG   LYS  86          HG3       LYS  86  -5.545 -11.916   5.238
  703   1HD   LYS  86          HD2       LYS  86  -7.621 -11.176   6.540
  704   2HD   LYS  86          HD3       LYS  86  -8.496 -11.463   5.047
  705   1HE   LYS  86          HE2       LYS  86  -6.727 -13.586   6.169
  706   2HE   LYS  86          HE3       LYS  86  -8.341 -13.340   6.836
  707   1HZ   LYS  86          HZ1       LYS  86  -7.696 -13.947   3.996
  708   2HZ   LYS  86          HZ2       LYS  86  -9.255 -13.675   4.617
  709   3HZ   LYS  86          HZ3       LYS  86  -8.364 -15.022   5.127
  710    H    PHE  87           HN       PHE  87  -6.129  -7.143   3.858
  711    HA   PHE  87           HA       PHE  87  -4.409  -5.949   5.848
  712   1HB   PHE  87          HB2       PHE  87  -3.817  -3.990   4.428
  713   2HB   PHE  87          HB3       PHE  87  -3.043  -5.491   3.943
  714    HD1  PHE  87           HD1      PHE  87  -3.377  -6.387   1.768
  715    HD2  PHE  87           HD2      PHE  87  -5.715  -3.089   3.096
  716    HE1  PHE  87           HE1      PHE  87  -4.220  -6.069  -0.520
  717    HE2  PHE  87           HE2      PHE  87  -6.560  -2.766   0.807
  718    HZ   PHE  87           HZ       PHE  87  -5.724  -4.213  -1.030
  719    H    CYS  88           HN       CYS  88  -5.153  -3.955   6.648
  720    HA   CYS  88           HA       CYS  88  -8.056  -3.681   6.341
  721   1HB   CYS  88          HB2       CYS  88  -7.100  -4.129   8.607
  722   2HB   CYS  88          HB3       CYS  88  -6.223  -2.609   8.501
  723    H    VAL  89           HN       VAL  89  -8.825  -1.961   5.291
  724    HA   VAL  89           HA       VAL  89  -7.082   0.397   5.025
  725    HB   VAL  89           HB       VAL  89  -8.346   0.863   2.869
  726   1HG1  VAL  89          HG11      VAL  89  -6.574  -1.574   2.990
  727   2HG1  VAL  89          HG12      VAL  89  -6.914  -0.617   1.547
  728   3HG1  VAL  89          HG13      VAL  89  -6.040   0.104   2.896
  729   1HG2  VAL  89          HG21      VAL  89 -10.207  -0.670   3.172
  730   2HG2  VAL  89          HG22      VAL  89  -9.310  -1.092   1.711
  731   3HG2  VAL  89          HG23      VAL  89  -9.101  -2.044   3.185
  732    H    THR  90           HN       THR  90  -7.965   2.376   5.414
  733    HA   THR  90           HA       THR  90 -10.557   2.420   6.683
  734    HB   THR  90           HB       THR  90  -8.780   4.777   6.028
  735    HG1  THR  90           HG1      THR  90  -8.853   3.104   8.347
  736   1HG2  THR  90          HG21      THR  90 -11.085   5.362   6.597
  737   2HG2  THR  90          HG22      THR  90  -9.971   5.867   7.867
  738   3HG2  THR  90          HG23      THR  90 -10.961   4.423   8.086
  739    H    CYS  91           HN       CYS  91 -12.268   2.336   5.338
  740    HA   CYS  91           HA       CYS  91 -12.049   3.540   2.693
  741   1HB   CYS  91          HB2       CYS  91 -14.220   1.828   3.904
  742   2HB   CYS  91          HB3       CYS  91 -14.098   2.301   2.210
  743    H    GLU  92           HN       GLU  92 -12.932   5.416   2.160
  744    HA   GLU  92           HA       GLU  92 -15.415   6.230   3.451
  745   1HB   GLU  92          HB2       GLU  92 -13.539   7.422   4.621
  746   2HB   GLU  92          HB3       GLU  92 -13.138   8.169   3.082
  747   1HG   GLU  92          HG2       GLU  92 -15.408   9.143   3.002
  748   2HG   GLU  92          HG3       GLU  92 -15.719   8.464   4.595
  749    H    ASN  93           HN       ASN  93 -16.814   7.168   2.060
  750    HA   ASN  93           HA       ASN  93 -17.784   7.717   0.083
  751   1HB   ASN  93          HB2       ASN  93 -15.053   8.888  -0.512
  752   2HB   ASN  93          HB3       ASN  93 -16.528   9.230  -1.412
  753   1HD2  ASN  93          HD21      ASN  93 -14.774  11.016   0.077
  754   2HD2  ASN  93          HD22      ASN  93 -15.769  11.781   1.277
  755    H    GLN  94           HN       GLN  94 -16.470   5.148   0.367
  756    HA   GLN  94           HA       GLN  94 -16.378   3.256  -0.866
  757   1HB   GLN  94          HB2       GLN  94 -17.007   5.030  -3.226
  758   2HB   GLN  94          HB3       GLN  94 -17.039   3.271  -3.226
  759   1HG   GLN  94          HG2       GLN  94 -18.799   3.351  -1.488
  760   2HG   GLN  94          HG3       GLN  94 -18.807   5.105  -1.630
  761   1HE2  GLN  94          HE21      GLN  94 -18.297   3.088  -4.401
  762   2HE2  GLN  94          HE22      GLN  94 -19.840   3.367  -5.137
  763    H    ALA  95           HN       ALA  95 -14.116   5.326  -0.619
  764    HA   ALA  95           HA       ALA  95 -12.309   3.861  -2.416
  765   1HB   ALA  95          HB1       ALA  95 -11.063   5.911  -2.870
  766   2HB   ALA  95          HB2       ALA  95 -12.736   6.050  -3.410
  767   3HB   ALA  95          HB3       ALA  95 -12.224   6.834  -1.915
  768    HA   PRO  96           HA       PRO  96  -9.823   3.352   1.295
  769   1HB   PRO  96          HB2       PRO  96  -7.635   2.906  -0.617
  770   2HB   PRO  96          HB3       PRO  96  -8.268   1.832   0.633
  771   1HG   PRO  96          HG2       PRO  96  -8.679   1.409  -2.007
  772   2HG   PRO  96          HG3       PRO  96  -9.837   0.924  -0.761
  773   1HD   PRO  96          HD2       PRO  96  -9.944   3.212  -2.651
  774   2HD   PRO  96          HD3       PRO  96 -11.264   2.236  -1.983
  775    H    VAL  97           HN       VAL  97  -9.517   5.365   2.157
  776    HA   VAL  97           HA       VAL  97  -7.762   7.203   0.685
  777    HB   VAL  97           HB       VAL  97  -8.703   8.986   2.151
  778   1HG1  VAL  97          HG11      VAL  97 -10.858   9.120   1.006
  779   2HG1  VAL  97          HG12      VAL  97  -9.585   8.600  -0.097
  780   3HG1  VAL  97          HG13      VAL  97 -10.727   7.423   0.549
  781   1HG2  VAL  97          HG21      VAL  97  -9.368   7.563   4.020
  782   2HG2  VAL  97          HG22      VAL  97 -10.735   8.508   3.423
  783   3HG2  VAL  97          HG23      VAL  97 -10.595   6.799   3.007
  784    H    HIS  98           HN       HIS  98  -7.914   5.258   3.473
  785    HA   HIS  98           HA       HIS  98  -5.328   6.330   4.318
  786   1HB   HIS  98          HB2       HIS  98  -7.559   5.739   6.284
  787   2HB   HIS  98          HB3       HIS  98  -5.935   6.262   6.685
  788    HD1  HIS  98           HD1      HIS  98  -5.341   8.779   5.716
  789    HD2  HIS  98           HD2      HIS  98  -9.342   7.739   6.108
  790    HE1  HIS  98           HE1      HIS  98  -6.608  10.946   5.683
  791    HE2  HIS  98           HE2      HIS  98  -9.038  10.271   5.682
  792    H    PHE  99           HN       PHE  99  -3.949   4.763   5.162
  793    HA   PHE  99           HA       PHE  99  -4.921   2.005   4.820
  794   1HB   PHE  99          HB2       PHE  99  -3.003   2.751   3.395
  795   2HB   PHE  99          HB3       PHE  99  -2.063   3.006   4.862
  796    HD1  PHE  99           HD1      PHE  99  -0.868   1.242   5.828
  797    HD2  PHE  99           HD2      PHE  99  -3.866   0.412   2.922
  798    HE1  PHE  99           HE1      PHE  99  -0.157  -1.110   5.770
  799    HE2  PHE  99           HE2      PHE  99  -3.160  -1.942   2.861
  800    HZ   PHE  99           HZ       PHE  99  -1.305  -2.707   4.286
  801    H    VAL 100           HN       VAL 100  -5.006   0.665   6.508
  802    HA   VAL 100           HA       VAL 100  -4.299   1.723   9.129
  803    HB   VAL 100           HB       VAL 100  -5.807  -0.787   8.366
  804   1HG1  VAL 100          HG11      VAL 100  -4.774  -1.046  10.533
  805   2HG1  VAL 100          HG12      VAL 100  -5.416   0.512  11.059
  806   3HG1  VAL 100          HG13      VAL 100  -6.513  -0.828  10.723
  807   1HG2  VAL 100          HG21      VAL 100  -7.800   0.464   9.117
  808   2HG2  VAL 100          HG22      VAL 100  -6.797   1.901   9.317
  809   3HG2  VAL 100          HG23      VAL 100  -7.029   1.201   7.714
  810    H    GLY 101           HN       GLY 101  -4.099  -1.576   7.810
  811   1HA   GLY 101          HA1       GLY 101  -1.287  -1.822   7.951
  812   2HA   GLY 101          HA2       GLY 101  -2.002  -2.450   9.434
  813    H    VAL 102           HN       VAL 102  -0.827  -4.426   8.308
  814    HA   VAL 102           HA       VAL 102  -2.754  -5.642   6.445
  815    HB   VAL 102           HB       VAL 102  -1.120  -6.863   5.422
  816   1HG1  VAL 102          HG11      VAL 102  -0.682  -4.545   4.966
  817   2HG1  VAL 102          HG12      VAL 102   0.363  -4.429   6.383
  818   3HG1  VAL 102          HG13      VAL 102   0.838  -5.438   5.014
  819   1HG2  VAL 102          HG21      VAL 102  -0.285  -7.993   7.423
  820   2HG2  VAL 102          HG22      VAL 102   1.025  -7.514   6.346
  821   3HG2  VAL 102          HG23      VAL 102   0.701  -6.579   7.808
  822    H    GLY 103           HN       GLY 103  -3.251  -7.882   6.689
  823   1HA   GLY 103          HA1       GLY 103  -3.408  -9.879   7.918
  824   2HA   GLY 103          HA2       GLY 103  -2.683  -9.072   9.300
  825    H    SER 104           HN       SER 104  -4.158  -7.109  10.022
  826    HA   SER 104           HA       SER 104  -6.990  -7.662   9.870
  827   1HB   SER 104          HB2       SER 104  -7.106  -7.863  12.410
  828   2HB   SER 104          HB3       SER 104  -6.472  -9.267  11.553
  829    HG   SER 104           HG       SER 104  -5.150  -7.397  13.185
  830    H    CYS 105           HN       CYS 105  -8.211  -6.128  11.320
  831    HA   CYS 105           HA       CYS 105  -6.979  -3.489  11.236
  832   1HB   CYS 105          HB2       CYS 105  -9.771  -4.333  12.058
  833   2HB   CYS 105          HB3       CYS 105  -9.225  -2.673  11.860
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1  -2.897  15.389  -0.242
    2   2H    MET   1           H2       MET   1  -2.428  15.664   1.363
    3   3H    MET   1           H3       MET   1  -3.346  16.829   0.536
    4    HA   MET   1           HA       MET   1  -4.743  15.647   2.055
    5   1HB   MET   1          HB2       MET   1  -5.185  14.862  -0.834
    6   2HB   MET   1          HB3       MET   1  -6.389  14.683   0.430
    7   1HG   MET   1          HG2       MET   1  -5.179  17.283  -0.474
    8   2HG   MET   1          HG3       MET   1  -6.766  16.671  -0.931
    9   1HE   MET   1          HE1       MET   1  -6.347  19.558   0.280
   10   2HE   MET   1          HE2       MET   1  -7.922  18.894  -0.156
   11   3HE   MET   1          HE3       MET   1  -7.684  19.628   1.429
   12    H    GLN   2           HN       GLN   2  -5.723  13.634   2.690
   13    HA   GLN   2           HA       GLN   2  -4.049  11.291   2.075
   14   1HB   GLN   2          HB2       GLN   2  -5.950  11.661   4.403
   15   2HB   GLN   2          HB3       GLN   2  -4.837  10.324   4.157
   16   1HG   GLN   2          HG2       GLN   2  -3.934  13.168   4.518
   17   2HG   GLN   2          HG3       GLN   2  -4.158  12.047   5.857
   18   1HE2  GLN   2          HE21      GLN   2  -2.909  11.088   2.719
   19   2HE2  GLN   2          HE22      GLN   2  -1.307  10.747   3.261
   20    H    ASP   3           HN       ASP   3  -5.062  10.738   0.173
   21    HA   ASP   3           HA       ASP   3  -7.887   9.972   0.328
   22   1HB   ASP   3          HB2       ASP   3  -8.438  11.189  -1.669
   23   2HB   ASP   3          HB3       ASP   3  -7.658  12.320  -0.567
   24    H    TRP   4           HN       TRP   4  -8.370   9.232  -2.167
   25    HA   TRP   4           HA       TRP   4  -7.113   6.724  -2.320
   26   1HB   TRP   4          HB2       TRP   4  -9.410   7.042  -3.024
   27   2HB   TRP   4          HB3       TRP   4  -8.905   8.162  -4.284
   28    HD1  TRP   4           HD1      TRP   4  -9.244   7.013  -6.533
   29    HE1  TRP   4           HE1      TRP   4  -8.757   4.682  -7.521
   30    HE3  TRP   4           HE3      TRP   4  -7.481   4.705  -2.326
   31    HZ2  TRP   4           HZ2      TRP   4  -7.753   2.213  -6.629
   32    HZ3  TRP   4           HZ3      TRP   4  -6.791   2.347  -2.477
   33    HH2  TRP   4           HH2      TRP   4  -6.915   1.132  -4.592
   34    H    LEU   5           HN       LEU   5  -6.640   9.712  -4.173
   35    HA   LEU   5           HA       LEU   5  -4.968   8.534  -6.141
   36   1HB   LEU   5          HB2       LEU   5  -5.385  11.374  -5.235
   37   2HB   LEU   5          HB3       LEU   5  -4.242  10.959  -6.496
   38    HG   LEU   5           HG       LEU   5  -6.267  11.721  -7.511
   39   1HD1  LEU   5          HD11      LEU   5  -6.043   8.728  -7.741
   40   2HD1  LEU   5          HD12      LEU   5  -6.856   9.790  -8.893
   41   3HD1  LEU   5          HD13      LEU   5  -5.113   9.920  -8.648
   42   1HD2  LEU   5          HD21      LEU   5  -8.422  10.648  -7.183
   43   2HD2  LEU   5          HD22      LEU   5  -7.715   9.567  -5.983
   44   3HD2  LEU   5          HD23      LEU   5  -7.809  11.297  -5.663
   45    H    THR   6           HN       THR   6  -4.336  10.241  -3.109
   46    HA   THR   6           HA       THR   6  -1.503  10.095  -3.297
   47    HB   THR   6           HB       THR   6  -3.203  10.339  -0.804
   48    HG1  THR   6           HG1      THR   6  -3.785  12.140  -1.808
   49   1HG2  THR   6          HG21      THR   6  -0.877   9.847  -0.296
   50   2HG2  THR   6          HG22      THR   6  -1.226  11.534   0.089
   51   3HG2  THR   6          HG23      THR   6  -0.344  11.128  -1.383
   52    H    PHE   7           HN       PHE   7  -3.982   8.051  -1.862
   53    HA   PHE   7           HA       PHE   7  -2.352   6.176  -0.564
   54   1HB   PHE   7          HB2       PHE   7  -4.854   6.410  -0.369
   55   2HB   PHE   7          HB3       PHE   7  -5.000   5.662  -1.952
   56    HD1  PHE   7           HD1      PHE   7  -4.564   5.111   1.584
   57    HD2  PHE   7           HD2      PHE   7  -4.270   3.304  -2.259
   58    HE1  PHE   7           HE1      PHE   7  -4.582   2.884   2.634
   59    HE2  PHE   7           HE2      PHE   7  -4.300   1.075  -1.217
   60    HZ   PHE   7           HZ       PHE   7  -4.500   0.884   1.274
   61    H    GLN   8           HN       GLN   8  -3.563   6.332  -3.880
   62    HA   GLN   8           HA       GLN   8  -2.674   3.883  -4.827
   63   1HB   GLN   8          HB2       GLN   8  -3.322   6.508  -6.035
   64   2HB   GLN   8          HB3       GLN   8  -2.438   5.355  -7.017
   65   1HG   GLN   8          HG2       GLN   8  -4.205   3.715  -6.710
   66   2HG   GLN   8          HG3       GLN   8  -5.076   4.840  -5.668
   67   1HE2  GLN   8          HE21      GLN   8  -6.095   6.606  -6.569
   68   2HE2  GLN   8          HE22      GLN   8  -6.429   6.718  -8.265
   69    H    LYS   9           HN       LYS   9  -1.053   7.028  -5.261
   70    HA   LYS   9           HA       LYS   9   1.200   6.163  -6.582
   71   1HB   LYS   9          HB2       LYS   9   1.008   8.371  -4.526
   72   2HB   LYS   9          HB3       LYS   9   2.298   8.192  -5.704
   73   1HG   LYS   9          HG2       LYS   9   0.883   8.716  -7.498
   74   2HG   LYS   9          HG3       LYS   9  -0.572   8.502  -6.518
   75   1HD   LYS   9          HD2       LYS   9   0.037  10.439  -5.176
   76   2HD   LYS   9          HD3       LYS   9   1.514  10.647  -6.117
   77   1HE   LYS   9          HE2       LYS   9  -1.299  10.829  -7.189
   78   2HE   LYS   9          HE3       LYS   9  -0.256  12.199  -6.813
   79   1HZ   LYS   9          HZ1       LYS   9  -0.093  11.850  -9.114
   80   2HZ   LYS   9          HZ2       LYS   9   0.093  10.176  -8.949
   81   3HZ   LYS   9          HZ3       LYS   9   1.345  11.221  -8.470
   82    H    LYS  10           HN       LYS  10   0.502   6.055  -3.172
   83    HA   LYS  10           HA       LYS  10   3.263   5.370  -2.522
   84   1HB   LYS  10          HB2       LYS  10   0.906   6.065  -0.782
   85   2HB   LYS  10          HB3       LYS  10   2.468   5.584  -0.144
   86   1HG   LYS  10          HG2       LYS  10   3.477   7.497  -1.387
   87   2HG   LYS  10          HG3       LYS  10   1.844   8.009  -1.809
   88   1HD   LYS  10          HD2       LYS  10   2.175   9.276   0.062
   89   2HD   LYS  10          HD3       LYS  10   1.491   7.830   0.802
   90   1HE   LYS  10          HE2       LYS  10   4.440   8.407   0.530
   91   2HE   LYS  10          HE3       LYS  10   3.492   8.700   1.983
   92   1HZ   LYS  10          HZ1       LYS  10   4.611   6.645   2.245
   93   2HZ   LYS  10          HZ2       LYS  10   4.105   6.080   0.737
   94   3HZ   LYS  10          HZ3       LYS  10   2.979   6.275   1.988
   95    H    HIS  11           HN       HIS  11   0.339   3.663  -3.075
   96    HA   HIS  11           HA       HIS  11   1.454   1.385  -1.574
   97   1HB   HIS  11          HB2       HIS  11  -1.418   2.293  -1.594
   98   2HB   HIS  11          HB3       HIS  11  -0.909   0.707  -1.027
   99    HD1  HIS  11           HD1      HIS  11   0.962   0.852   1.012
  100    HD2  HIS  11           HD2      HIS  11  -1.454   4.175   0.340
  101    HE1  HIS  11           HE1      HIS  11   1.062   2.205   3.132
  102    HE2  HIS  11           HE2      HIS  11  -0.494   4.157   2.746
  103    H    ILE  12           HN       ILE  12   0.171   2.441  -4.559
  104    HA   ILE  12           HA       ILE  12  -0.657  -0.286  -5.252
  105    HB   ILE  12           HB       ILE  12  -1.108   2.312  -6.730
  106   1HG1  ILE  12          HG12      ILE  12  -2.441   2.113  -4.696
  107   2HG1  ILE  12          HG13      ILE  12  -3.466   1.969  -6.116
  108   1HG2  ILE  12          HG21      ILE  12  -0.916   0.500  -8.316
  109   2HG2  ILE  12          HG22      ILE  12  -2.060  -0.467  -7.386
  110   3HG2  ILE  12          HG23      ILE  12  -2.601   1.009  -8.185
  111   1HD1  ILE  12          HD11      ILE  12  -4.113   0.381  -4.411
  112   2HD1  ILE  12          HD12      ILE  12  -3.496  -0.461  -5.832
  113   3HD1  ILE  12          HD13      ILE  12  -2.484  -0.295  -4.396
  114    H    THR  13           HN       THR  13   0.916  -1.512  -6.017
  115    HA   THR  13           HA       THR  13   2.758  -0.323  -7.979
  116    HB   THR  13           HB       THR  13   3.921  -0.865  -5.838
  117    HG1  THR  13           HG1      THR  13   5.550  -1.204  -7.125
  118   1HG2  THR  13          HG21      THR  13   3.203  -3.714  -6.545
  119   2HG2  THR  13          HG22      THR  13   2.621  -2.809  -5.147
  120   3HG2  THR  13          HG23      THR  13   4.331  -3.225  -5.277
  121    H    ASN  14           HN       ASN  14   3.504  -1.769  -9.632
  122    HA   ASN  14           HA       ASN  14   1.460  -3.786 -10.267
  123   1HB   ASN  14          HB2       ASN  14   1.924  -3.314 -12.628
  124   2HB   ASN  14          HB3       ASN  14   1.490  -1.836 -11.776
  125   1HD2  ASN  14          HD21      ASN  14   3.089  -0.281 -11.360
  126   2HD2  ASN  14          HD22      ASN  14   4.597  -0.276 -12.227
  127    H    THR  15           HN       THR  15   4.275  -3.834  -8.918
  128    HA   THR  15           HA       THR  15   5.198  -6.213 -10.359
  129    HB   THR  15           HB       THR  15   6.604  -4.359 -11.131
  130    HG1  THR  15           HG1      THR  15   7.493  -6.592 -10.276
  131   1HG2  THR  15          HG21      THR  15   7.257  -3.957  -8.212
  132   2HG2  THR  15          HG22      THR  15   6.370  -2.843  -9.254
  133   3HG2  THR  15          HG23      THR  15   8.078  -3.162  -9.558
  134    H    ARG  16           HN       ARG  16   6.155  -7.796  -9.033
  135    HA   ARG  16           HA       ARG  16   5.307  -7.824  -6.341
  136   1HB   ARG  16          HB2       ARG  16   7.249  -9.598  -7.818
  137   2HB   ARG  16          HB3       ARG  16   6.787  -9.855  -6.140
  138   1HG   ARG  16          HG2       ARG  16   4.909  -9.843  -8.485
  139   2HG   ARG  16          HG3       ARG  16   5.499 -11.271  -7.627
  140   1HD   ARG  16          HD2       ARG  16   3.963  -9.031  -6.349
  141   2HD   ARG  16          HD3       ARG  16   3.226 -10.524  -6.925
  142    HE   ARG  16           HE       ARG  16   4.684 -11.674  -5.260
  143   1HH1  ARG  16          HH12      ARG  16   3.881  -8.289  -4.845
  144   2HH1  ARG  16          HH11      ARG  16   4.031  -8.326  -3.121
  145   1HH2  ARG  16          HH22      ARG  16   4.849 -11.738  -2.964
  146   2HH2  ARG  16          HH21      ARG  16   4.552 -10.283  -2.053
  147    H    ASP  17           HN       ASP  17   8.642  -7.649  -7.644
  148    HA   ASP  17           HA       ASP  17   9.486  -6.589  -5.077
  149   1HB   ASP  17          HB2       ASP  17  11.763  -6.798  -6.000
  150   2HB   ASP  17          HB3       ASP  17  10.900  -8.320  -6.006
  151    H    VAL  18           HN       VAL  18   8.522  -4.619  -5.110
  152    HA   VAL  18           HA       VAL  18   8.801  -2.719  -7.178
  153    HB   VAL  18           HB       VAL  18   7.029  -2.235  -5.761
  154   1HG1  VAL  18          HG11      VAL  18   8.862  -2.672  -3.406
  155   2HG1  VAL  18          HG12      VAL  18   7.200  -2.089  -3.290
  156   3HG1  VAL  18          HG13      VAL  18   7.525  -3.704  -3.922
  157   1HG2  VAL  18          HG21      VAL  18   9.336  -0.480  -4.957
  158   2HG2  VAL  18          HG22      VAL  18   8.106  -0.177  -6.184
  159   3HG2  VAL  18          HG23      VAL  18   7.666  -0.155  -4.475
  160    H    ASP  19           HN       ASP  19  10.426  -1.415  -7.689
  161    HA   ASP  19           HA       ASP  19  12.956  -1.771  -6.444
  162   1HB   ASP  19          HB2       ASP  19  12.668  -1.375  -8.871
  163   2HB   ASP  19          HB3       ASP  19  12.134   0.263  -8.523
  164    H    CYS  20           HN       CYS  20  12.525  -1.141  -4.324
  165    HA   CYS  20           HA       CYS  20  11.578   1.256  -3.392
  166   1HB   CYS  20          HB2       CYS  20  13.708  -0.536  -2.259
  167   2HB   CYS  20          HB3       CYS  20  12.994   0.814  -1.380
  168    H    ASP  21           HN       ASP  21  14.977   0.501  -4.199
  169    HA   ASP  21           HA       ASP  21  16.091   2.825  -3.130
  170   1HB   ASP  21          HB2       ASP  21  17.311   0.744  -3.945
  171   2HB   ASP  21          HB3       ASP  21  17.194   1.427  -5.564
  172    H    ASN  22           HN       ASN  22  14.321   2.410  -6.054
  173    HA   ASN  22           HA       ASN  22  15.161   5.054  -7.006
  174   1HB   ASN  22          HB2       ASN  22  15.149   3.073  -8.571
  175   2HB   ASN  22          HB3       ASN  22  13.403   3.035  -8.408
  176   1HD2  ASN  22          HD21      ASN  22  15.029   3.425 -10.766
  177   2HD2  ASN  22          HD22      ASN  22  14.556   4.955 -11.436
  178    H    ILE  23           HN       ILE  23  12.201   3.193  -6.414
  179    HA   ILE  23           HA       ILE  23  10.489   5.395  -6.873
  180    HB   ILE  23           HB       ILE  23   9.981   2.781  -5.447
  181   1HG1  ILE  23          HG12      ILE  23   9.313   3.768  -8.228
  182   2HG1  ILE  23          HG13      ILE  23  10.579   2.615  -7.827
  183   1HG2  ILE  23          HG21      ILE  23   8.379   4.458  -4.682
  184   2HG2  ILE  23          HG22      ILE  23   7.989   4.859  -6.354
  185   3HG2  ILE  23          HG23      ILE  23   7.596   3.262  -5.714
  186   1HD1  ILE  23          HD11      ILE  23   8.939   1.005  -7.122
  187   2HD1  ILE  23          HD12      ILE  23   7.641   2.173  -7.367
  188   3HD1  ILE  23          HD13      ILE  23   8.554   1.570  -8.748
  189    H    LEU  24           HN       LEU  24  11.879   4.049  -3.891
  190    HA   LEU  24           HA       LEU  24  10.376   5.839  -2.221
  191   1HB   LEU  24          HB2       LEU  24  12.290   3.635  -1.821
  192   2HB   LEU  24          HB3       LEU  24  12.269   4.864  -0.573
  193    HG   LEU  24           HG       LEU  24   9.881   4.472  -0.226
  194   1HD1  LEU  24          HD11      LEU  24   9.296   3.747  -2.481
  195   2HD1  LEU  24          HD12      LEU  24  10.197   2.252  -2.225
  196   3HD1  LEU  24          HD13      LEU  24   8.763   2.595  -1.253
  197   1HD2  LEU  24          HD21      LEU  24  11.574   1.995  -0.129
  198   2HD2  LEU  24          HD22      LEU  24  11.514   3.266   1.091
  199   3HD2  LEU  24          HD23      LEU  24  10.092   2.266   0.790
  200    H    SER  25           HN       SER  25  13.189   6.242  -4.049
  201    HA   SER  25           HA       SER  25  14.455   7.998  -2.110
  202   1HB   SER  25          HB2       SER  25  16.086   8.420  -4.026
  203   2HB   SER  25          HB3       SER  25  16.014   6.772  -3.404
  204    HG   SER  25           HG       SER  25  15.662   6.248  -5.395
  205    H    THR  26           HN       THR  26  11.970   8.246  -4.294
  206    HA   THR  26           HA       THR  26  12.369  10.959  -5.122
  207    HB   THR  26           HB       THR  26  10.023  10.876  -5.860
  208    HG1  THR  26           HG1      THR  26   9.879   8.174  -5.022
  209   1HG2  THR  26          HG21      THR  26  11.580   8.390  -6.576
  210   2HG2  THR  26          HG22      THR  26  11.750   9.974  -7.332
  211   3HG2  THR  26          HG23      THR  26  10.244   9.072  -7.505
  212    H    ASN  27           HN       ASN  27  10.670  12.631  -4.550
  213    HA   ASN  27           HA       ASN  27  10.724  13.127  -1.758
  214   1HB   ASN  27          HB2       ASN  27  10.703  14.915  -3.448
  215   2HB   ASN  27          HB3       ASN  27   9.076  14.449  -3.928
  216   1HD2  ASN  27          HD21      ASN  27  11.025  15.986  -1.493
  217   2HD2  ASN  27          HD22      ASN  27   9.713  16.745  -0.651
  218    H    LEU  28           HN       LEU  28   8.673  11.240  -3.658
  219    HA   LEU  28           HA       LEU  28   6.204  11.650  -2.296
  220   1HB   LEU  28          HB2       LEU  28   6.381  10.817  -4.611
  221   2HB   LEU  28          HB3       LEU  28   7.127   9.346  -4.020
  222    HG   LEU  28           HG       LEU  28   5.024   8.805  -2.810
  223   1HD1  LEU  28          HD11      LEU  28   4.164  11.080  -2.550
  224   2HD1  LEU  28          HD12      LEU  28   3.930  11.192  -4.295
  225   3HD1  LEU  28          HD13      LEU  28   2.989  10.036  -3.352
  226   1HD2  LEU  28          HD21      LEU  28   3.753   8.195  -4.812
  227   2HD2  LEU  28          HD22      LEU  28   4.751   9.285  -5.774
  228   3HD2  LEU  28          HD23      LEU  28   5.476   7.871  -5.011
  229    H    PHE  29           HN       PHE  29   9.048   9.961  -1.476
  230    HA   PHE  29           HA       PHE  29   7.612   8.557   0.665
  231   1HB   PHE  29          HB2       PHE  29   9.765   7.303  -1.050
  232   2HB   PHE  29          HB3       PHE  29   9.048   6.573   0.384
  233    HD1  PHE  29           HD1      PHE  29   8.692   7.221  -3.142
  234    HD2  PHE  29           HD2      PHE  29   6.668   5.885   0.351
  235    HE1  PHE  29           HE1      PHE  29   6.946   6.220  -4.545
  236    HE2  PHE  29           HE2      PHE  29   4.911   4.880  -1.048
  237    HZ   PHE  29           HZ       PHE  29   5.046   5.048  -3.500
  238    H    HIS  30           HN       HIS  30  10.567   9.885  -0.623
  239    HA   HIS  30           HA       HIS  30  12.557  10.461   0.298
  240   1HB   HIS  30          HB2       HIS  30  12.320  12.101   2.156
  241   2HB   HIS  30          HB3       HIS  30  11.309  12.430   0.767
  242    HD1  HIS  30           HD1      HIS  30  11.144  11.444   4.382
  243    HD2  HIS  30           HD2      HIS  30   8.565  12.335   1.241
  244    HE1  HIS  30           HE1      HIS  30   8.872  11.730   5.428
  245    HE2  HIS  30           HE2      HIS  30   7.368  12.455   3.532
  246    H    CYS  31           HN       CYS  31  12.406   7.967   0.769
  247    HA   CYS  31           HA       CYS  31  12.789   6.181   2.105
  248   1HB   CYS  31          HB2       CYS  31  14.939   6.518   3.470
  249   2HB   CYS  31          HB3       CYS  31  15.005   6.649   1.721
  250    H    LYS  32           HN       LYS  32  10.644   6.962   3.304
  251    HA   LYS  32           HA       LYS  32  11.002   7.313   6.104
  252   1HB   LYS  32          HB2       LYS  32   8.700   6.887   6.325
  253   2HB   LYS  32          HB3       LYS  32   8.860   7.702   4.782
  254   1HG   LYS  32          HG2       LYS  32   8.667   4.713   5.020
  255   2HG   LYS  32          HG3       LYS  32   7.263   5.758   4.908
  256   1HD   LYS  32          HD2       LYS  32   7.498   5.241   2.710
  257   2HD   LYS  32          HD3       LYS  32   8.541   6.660   2.779
  258   1HE   LYS  32          HE2       LYS  32   9.501   4.698   1.562
  259   2HE   LYS  32          HE3       LYS  32  10.498   5.314   2.879
  260   1HZ   LYS  32          HZ1       LYS  32   9.814   3.527   4.270
  261   2HZ   LYS  32          HZ2       LYS  32  10.305   2.854   2.797
  262   3HZ   LYS  32          HZ3       LYS  32   8.658   3.000   3.149
  263    H    ASP  33           HN       ASP  33  10.301   5.553   7.670
  264    HA   ASP  33           HA       ASP  33  12.195   3.557   7.726
  265   1HB   ASP  33          HB2       ASP  33   9.459   3.534   9.019
  266   2HB   ASP  33          HB3       ASP  33  10.785   2.463   9.454
  267    H    LYS  34           HN       LYS  34   8.737   3.054   7.008
  268    HA   LYS  34           HA       LYS  34   9.444   0.741   5.360
  269   1HB   LYS  34          HB2       LYS  34   9.151  -0.381   7.353
  270   2HB   LYS  34          HB3       LYS  34   7.978   0.772   7.960
  271   1HG   LYS  34          HG2       LYS  34   6.704  -0.402   5.806
  272   2HG   LYS  34          HG3       LYS  34   7.574  -1.734   6.583
  273   1HD   LYS  34          HD2       LYS  34   6.652  -0.897   8.771
  274   2HD   LYS  34          HD3       LYS  34   5.625   0.185   7.835
  275   1HE   LYS  34          HE2       LYS  34   4.389  -1.812   8.444
  276   2HE   LYS  34          HE3       LYS  34   4.639  -1.771   6.699
  277   1HZ   LYS  34          HZ1       LYS  34   6.184  -3.469   6.790
  278   2HZ   LYS  34          HZ2       LYS  34   5.058  -3.953   7.966
  279   3HZ   LYS  34          HZ3       LYS  34   6.516  -3.236   8.435
  280    H    ASN  35           HN       ASN  35   7.993   0.285   3.766
  281    HA   ASN  35           HA       ASN  35   5.492   1.818   3.644
  282   1HB   ASN  35          HB2       ASN  35   7.396   2.988   2.329
  283   2HB   ASN  35          HB3       ASN  35   7.276   1.632   1.218
  284   1HD2  ASN  35          HD21      ASN  35   5.382   1.354   0.024
  285   2HD2  ASN  35          HD22      ASN  35   4.272   2.657  -0.240
  286    H    THR  36           HN       THR  36   3.995   0.267   3.473
  287    HA   THR  36           HA       THR  36   4.654  -2.253   2.194
  288    HB   THR  36           HB       THR  36   1.986  -1.488   3.380
  289    HG1  THR  36           HG1      THR  36   4.309  -2.562   4.679
  290   1HG2  THR  36          HG21      THR  36   3.392  -4.138   2.989
  291   2HG2  THR  36          HG22      THR  36   2.004  -3.546   2.073
  292   3HG2  THR  36          HG23      THR  36   1.837  -3.921   3.789
  293    H    PHE  37           HN       PHE  37   4.493  -2.381   0.060
  294    HA   PHE  37           HA       PHE  37   2.447  -0.847  -1.356
  295   1HB   PHE  37          HB2       PHE  37   4.694  -2.589  -2.392
  296   2HB   PHE  37          HB3       PHE  37   3.554  -1.719  -3.408
  297    HD1  PHE  37           HD1      PHE  37   6.468  -1.434  -1.215
  298    HD2  PHE  37           HD2      PHE  37   3.687   0.678  -3.654
  299    HE1  PHE  37           HE1      PHE  37   7.915   0.546  -1.147
  300    HE2  PHE  37           HE2      PHE  37   5.140   2.659  -3.592
  301    HZ   PHE  37           HZ       PHE  37   7.341   2.526  -2.446
  302    H    ILE  38           HN       ILE  38   1.066  -1.865  -2.861
  303    HA   ILE  38           HA       ILE  38   0.398  -4.652  -2.184
  304    HB   ILE  38           HB       ILE  38  -1.484  -2.474  -3.126
  305   1HG1  ILE  38          HG12      ILE  38  -1.305  -3.659  -0.352
  306   2HG1  ILE  38          HG13      ILE  38  -0.512  -2.154  -0.807
  307   1HG2  ILE  38          HG21      ILE  38  -2.029  -5.253  -2.089
  308   2HG2  ILE  38          HG22      ILE  38  -3.253  -4.053  -2.508
  309   3HG2  ILE  38          HG23      ILE  38  -2.198  -4.711  -3.759
  310   1HD1  ILE  38          HD11      ILE  38  -2.634  -1.772   0.338
  311   2HD1  ILE  38          HD12      ILE  38  -2.655  -1.150  -1.312
  312   3HD1  ILE  38          HD13      ILE  38  -3.474  -2.665  -0.932
  313    H    TYR  39           HN       TYR  39   0.913  -5.957  -3.829
  314    HA   TYR  39           HA       TYR  39   1.096  -4.972  -6.531
  315   1HB   TYR  39          HB2       TYR  39   2.682  -6.668  -5.935
  316   2HB   TYR  39          HB3       TYR  39   1.412  -7.736  -5.347
  317    HD1  TYR  39           HD1      TYR  39   2.421  -5.984  -8.487
  318    HD2  TYR  39           HD2      TYR  39   0.733  -9.471  -6.732
  319    HE1  TYR  39           HE1      TYR  39   2.329  -7.044 -10.701
  320    HE2  TYR  39           HE2      TYR  39   0.633 -10.539  -8.945
  321    HH   TYR  39           HH       TYR  39   2.178  -9.137 -11.729
  322    H    SER  40           HN       SER  40  -0.903  -4.249  -6.966
  323    HA   SER  40           HA       SER  40  -2.698  -6.012  -8.192
  324   1HB   SER  40          HB2       SER  40  -3.212  -6.392  -5.674
  325   2HB   SER  40          HB3       SER  40  -3.874  -4.760  -5.700
  326    HG   SER  40           HG       SER  40  -4.960  -7.078  -6.594
  327    H    ARG  41           HN       ARG  41  -4.463  -4.762  -9.181
  328    HA   ARG  41           HA       ARG  41  -3.595  -2.108  -9.784
  329   1HB   ARG  41          HB2       ARG  41  -5.933  -3.768 -10.681
  330   2HB   ARG  41          HB3       ARG  41  -5.808  -2.072 -11.110
  331   1HG   ARG  41          HG2       ARG  41  -3.715  -4.141 -11.711
  332   2HG   ARG  41          HG3       ARG  41  -4.934  -3.575 -12.855
  333   1HD   ARG  41          HD2       ARG  41  -4.053  -1.400 -12.882
  334   2HD   ARG  41          HD3       ARG  41  -3.095  -1.680 -11.433
  335    HE   ARG  41           HE       ARG  41  -2.216  -3.444 -13.425
  336   1HH1  ARG  41          HH12      ARG  41  -2.333  -0.006 -12.785
  337   2HH1  ARG  41          HH11      ARG  41  -0.830   0.336 -13.595
  338   1HH2  ARG  41          HH22      ARG  41  -0.256  -3.012 -14.513
  339   2HH2  ARG  41          HH21      ARG  41   0.346  -1.388 -14.599
  340    HA   PRO  42           HA       PRO  42  -5.773   0.371  -6.930
  341   1HB   PRO  42          HB2       PRO  42  -6.901   2.233  -8.652
  342   2HB   PRO  42          HB3       PRO  42  -5.253   2.297  -8.027
  343   1HG   PRO  42          HG2       PRO  42  -6.255   1.339 -10.663
  344   2HG   PRO  42          HG3       PRO  42  -4.770   2.220 -10.282
  345   1HD   PRO  42          HD2       PRO  42  -4.781  -0.423 -10.798
  346   2HD   PRO  42          HD3       PRO  42  -3.660   0.308  -9.627
  347    H    GLU  43           HN       GLU  43  -7.550  -0.806  -9.745
  348    HA   GLU  43           HA       GLU  43 -10.096   0.013  -8.799
  349   1HB   GLU  43          HB2       GLU  43  -9.158  -1.778 -10.997
  350   2HB   GLU  43          HB3       GLU  43 -10.860  -1.734 -10.567
  351   1HG   GLU  43          HG2       GLU  43  -9.195   0.646 -11.362
  352   2HG   GLU  43          HG3       GLU  43 -10.328  -0.211 -12.406
  353    HA   PRO  44           HA       PRO  44 -10.656  -4.621  -7.420
  354   1HB   PRO  44          HB2       PRO  44  -8.288  -5.942  -6.936
  355   2HB   PRO  44          HB3       PRO  44  -9.265  -6.133  -8.390
  356   1HG   PRO  44          HG2       PRO  44  -6.827  -4.481  -7.940
  357   2HG   PRO  44          HG3       PRO  44  -7.293  -5.433  -9.361
  358   1HD   PRO  44          HD2       PRO  44  -7.557  -2.754  -9.285
  359   2HD   PRO  44          HD3       PRO  44  -8.704  -3.783 -10.146
  360    H    VAL  45           HN       VAL  45  -8.119  -2.480  -6.367
  361    HA   VAL  45           HA       VAL  45  -8.337  -3.361  -3.597
  362    HB   VAL  45           HB       VAL  45  -6.749  -1.080  -4.800
  363   1HG1  VAL  45          HG11      VAL  45  -5.598  -0.977  -2.641
  364   2HG1  VAL  45          HG12      VAL  45  -7.317  -0.622  -2.471
  365   3HG1  VAL  45          HG13      VAL  45  -6.693  -2.201  -2.000
  366   1HG2  VAL  45          HG21      VAL  45  -4.813  -2.528  -4.383
  367   2HG2  VAL  45          HG22      VAL  45  -5.897  -3.803  -3.829
  368   3HG2  VAL  45          HG23      VAL  45  -5.954  -3.267  -5.507
  369    H    LYS  46           HN       LYS  46  -9.305  -0.651  -5.624
  370    HA   LYS  46           HA       LYS  46 -10.534   0.877  -3.569
  371   1HB   LYS  46          HB2       LYS  46  -9.864   1.684  -5.867
  372   2HB   LYS  46          HB3       LYS  46 -11.255   0.822  -6.503
  373   1HG   LYS  46          HG2       LYS  46 -12.746   2.228  -5.191
  374   2HG   LYS  46          HG3       LYS  46 -11.354   3.076  -4.507
  375   1HD   LYS  46          HD2       LYS  46 -10.699   3.779  -6.770
  376   2HD   LYS  46          HD3       LYS  46 -12.126   2.974  -7.421
  377   1HE   LYS  46          HE2       LYS  46 -13.535   4.461  -6.027
  378   2HE   LYS  46          HE3       LYS  46 -12.078   5.308  -5.514
  379   1HZ   LYS  46          HZ1       LYS  46 -11.679   6.034  -7.732
  380   2HZ   LYS  46          HZ2       LYS  46 -13.302   6.377  -7.377
  381   3HZ   LYS  46          HZ3       LYS  46 -12.911   5.045  -8.351
  382    H    ALA  47           HN       ALA  47 -11.491  -1.844  -5.491
  383    HA   ALA  47           HA       ALA  47 -14.278  -1.737  -5.156
  384   1HB   ALA  47          HB1       ALA  47 -14.280  -4.088  -5.774
  385   2HB   ALA  47          HB2       ALA  47 -13.163  -3.187  -6.796
  386   3HB   ALA  47          HB3       ALA  47 -12.544  -4.185  -5.482
  387    H    ILE  48           HN       ILE  48 -11.730  -2.711  -3.024
  388    HA   ILE  48           HA       ILE  48 -13.186  -4.263  -1.187
  389    HB   ILE  48           HB       ILE  48 -10.849  -2.438  -0.558
  390   1HG1  ILE  48          HG12      ILE  48 -10.791  -5.355  -1.373
  391   2HG1  ILE  48          HG13      ILE  48 -10.467  -4.027  -2.483
  392   1HG2  ILE  48          HG21      ILE  48 -11.864  -4.935   0.803
  393   2HG2  ILE  48          HG22      ILE  48 -10.424  -4.024   1.257
  394   3HG2  ILE  48          HG23      ILE  48 -12.019  -3.286   1.409
  395   1HD1  ILE  48          HD11      ILE  48  -8.892  -4.697  -0.013
  396   2HD1  ILE  48          HD12      ILE  48  -8.414  -5.018  -1.681
  397   3HD1  ILE  48          HD13      ILE  48  -8.566  -3.355  -1.110
  398    H    CYS  49           HN       CYS  49 -12.758  -0.803  -1.588
  399    HA   CYS  49           HA       CYS  49 -14.375  -0.279   0.791
  400   1HB   CYS  49          HB2       CYS  49 -12.753   1.550  -0.983
  401   2HB   CYS  49          HB3       CYS  49 -13.656   2.074   0.436
  402    H    LYS  50           HN       LYS  50 -14.929  -0.895  -2.350
  403    HA   LYS  50           HA       LYS  50 -16.613   1.190  -3.206
  404   1HB   LYS  50          HB2       LYS  50 -15.639  -0.625  -4.652
  405   2HB   LYS  50          HB3       LYS  50 -16.824  -1.728  -3.966
  406   1HG   LYS  50          HG2       LYS  50 -18.631  -0.354  -4.868
  407   2HG   LYS  50          HG3       LYS  50 -17.442   0.758  -5.550
  408   1HD   LYS  50          HD2       LYS  50 -17.630  -2.173  -6.237
  409   2HD   LYS  50          HD3       LYS  50 -18.349  -0.879  -7.194
  410   1HE   LYS  50          HE2       LYS  50 -15.409  -1.055  -6.551
  411   2HE   LYS  50          HE3       LYS  50 -16.130  -1.711  -8.020
  412   1HZ   LYS  50          HZ1       LYS  50 -16.912   0.521  -8.571
  413   2HZ   LYS  50          HZ2       LYS  50 -15.222   0.467  -8.429
  414   3HZ   LYS  50          HZ3       LYS  50 -16.153   1.143  -7.186
  415    H    GLY  51           HN       GLY  51 -18.478   1.815  -2.421
  416   1HA   GLY  51          HA1       GLY  51 -20.731   1.451  -1.791
  417   2HA   GLY  51          HA2       GLY  51 -20.293  -0.160  -1.248
  418    H    ILE  52           HN       ILE  52 -17.909   1.838  -0.148
  419    HA   ILE  52           HA       ILE  52 -19.267   2.065   2.468
  420    HB   ILE  52           HB       ILE  52 -16.285   2.079   2.073
  421   1HG1  ILE  52          HG12      ILE  52 -17.142  -0.015   1.121
  422   2HG1  ILE  52          HG13      ILE  52 -16.249  -0.302   2.603
  423   1HG2  ILE  52          HG21      ILE  52 -18.037   1.464   4.445
  424   2HG2  ILE  52          HG22      ILE  52 -16.276   1.376   4.428
  425   3HG2  ILE  52          HG23      ILE  52 -17.085   2.926   4.196
  426   1HD1  ILE  52          HD11      ILE  52 -19.238  -0.264   2.311
  427   2HD1  ILE  52          HD12      ILE  52 -18.217  -1.691   2.494
  428   3HD1  ILE  52          HD13      ILE  52 -18.360  -0.533   3.818
  429    H    ILE  53           HN       ILE  53 -20.110   4.142   2.267
  430    HA   ILE  53           HA       ILE  53 -18.484   6.307   1.285
  431    HB   ILE  53           HB       ILE  53 -21.282   6.172   2.391
  432   1HG1  ILE  53          HG12      ILE  53 -21.886   6.921   0.127
  433   2HG1  ILE  53          HG13      ILE  53 -20.196   6.909  -0.338
  434   1HG2  ILE  53          HG21      ILE  53 -21.513   8.558   1.839
  435   2HG2  ILE  53          HG22      ILE  53 -20.357   8.277   3.140
  436   3HG2  ILE  53          HG23      ILE  53 -19.784   8.634   1.512
  437   1HD1  ILE  53          HD11      ILE  53 -21.832   4.516   0.470
  438   2HD1  ILE  53          HD12      ILE  53 -21.373   4.963  -1.175
  439   3HD1  ILE  53          HD13      ILE  53 -20.132   4.499  -0.012
  440    H    ALA  54           HN       ALA  54 -19.969   5.430   4.393
  441    HA   ALA  54           HA       ALA  54 -18.688   7.595   5.779
  442   1HB   ALA  54          HB1       ALA  54 -19.629   6.605   7.795
  443   2HB   ALA  54          HB2       ALA  54 -20.847   6.724   6.526
  444   3HB   ALA  54          HB3       ALA  54 -20.099   5.168   6.886
  445    H    SER  55           HN       SER  55 -16.833   7.611   6.834
  446    HA   SER  55           HA       SER  55 -14.755   5.986   6.146
  447   1HB   SER  55          HB2       SER  55 -14.473   7.209   8.773
  448   2HB   SER  55          HB3       SER  55 -13.607   7.541   7.273
  449    HG   SER  55           HG       SER  55 -14.835   9.205   6.965
  450    H    LYS  56           HN       LYS  56 -14.539   3.890   6.513
  451    HA   LYS  56           HA       LYS  56 -14.774   2.908   9.265
  452   1HB   LYS  56          HB2       LYS  56 -16.862   2.224   8.325
  453   2HB   LYS  56          HB3       LYS  56 -16.093   1.700   6.834
  454   1HG   LYS  56          HG2       LYS  56 -14.949  -0.093   8.099
  455   2HG   LYS  56          HG3       LYS  56 -15.836   0.406   9.540
  456   1HD   LYS  56          HD2       LYS  56 -17.913  -0.220   8.591
  457   2HD   LYS  56          HD3       LYS  56 -17.210  -0.385   6.982
  458   1HE   LYS  56          HE2       LYS  56 -17.612  -2.569   7.981
  459   2HE   LYS  56          HE3       LYS  56 -15.887  -2.291   7.752
  460   1HZ   LYS  56          HZ1       LYS  56 -16.290  -3.274   9.891
  461   2HZ   LYS  56          HZ2       LYS  56 -17.385  -2.047  10.306
  462   3HZ   LYS  56          HZ3       LYS  56 -15.741  -1.684  10.116
  463    H    ASN  57           HN       ASN  57 -13.179   1.520   9.841
  464    HA   ASN  57           HA       ASN  57 -11.115   0.870   7.913
  465   1HB   ASN  57          HB2       ASN  57 -11.421   0.047  10.817
  466   2HB   ASN  57          HB3       ASN  57 -10.006  -0.262   9.821
  467   1HD2  ASN  57          HD21      ASN  57 -10.139   1.159  12.298
  468   2HD2  ASN  57          HD22      ASN  57  -9.594   2.775  11.979
  469    H    VAL  58           HN       VAL  58 -11.506  -0.758   6.515
  470    HA   VAL  58           HA       VAL  58 -13.079  -3.033   7.516
  471    HB   VAL  58           HB       VAL  58 -13.837  -3.493   5.335
  472   1HG1  VAL  58          HG11      VAL  58 -13.853  -0.504   5.653
  473   2HG1  VAL  58          HG12      VAL  58 -14.947  -1.441   4.635
  474   3HG1  VAL  58          HG13      VAL  58 -14.988  -1.637   6.387
  475   1HG2  VAL  58          HG21      VAL  58 -11.787  -3.223   4.094
  476   2HG2  VAL  58          HG22      VAL  58 -13.081  -2.302   3.326
  477   3HG2  VAL  58          HG23      VAL  58 -11.862  -1.473   4.299
  478    H    LEU  59           HN       LEU  59 -12.254  -5.023   7.495
  479    HA   LEU  59           HA       LEU  59  -9.491  -5.343   6.636
  480   1HB   LEU  59          HB2       LEU  59 -10.333  -6.015   8.937
  481   2HB   LEU  59          HB3       LEU  59 -11.221  -7.286   8.142
  482    HG   LEU  59           HG       LEU  59  -8.911  -7.773   9.250
  483   1HD1  LEU  59          HD11      LEU  59 -10.238  -9.413   8.036
  484   2HD1  LEU  59          HD12      LEU  59  -9.584  -8.815   6.511
  485   3HD1  LEU  59          HD13      LEU  59  -8.517  -9.584   7.689
  486   1HD2  LEU  59          HD21      LEU  59  -7.680  -6.034   8.115
  487   2HD2  LEU  59          HD22      LEU  59  -7.055  -7.622   7.666
  488   3HD2  LEU  59          HD23      LEU  59  -8.093  -6.735   6.549
  489    H    THR  60           HN       THR  60  -8.899  -6.734   5.040
  490    HA   THR  60           HA       THR  60 -10.842  -7.201   3.016
  491    HB   THR  60           HB       THR  60  -8.713  -8.480   2.036
  492    HG1  THR  60           HG1      THR  60  -7.525  -6.604   3.807
  493   1HG2  THR  60          HG21      THR  60  -9.687  -6.442   1.106
  494   2HG2  THR  60          HG22      THR  60  -7.928  -6.325   1.168
  495   3HG2  THR  60          HG23      THR  60  -8.910  -5.487   2.369
  496    H    THR  61           HN       THR  61 -11.498  -9.127   2.091
  497    HA   THR  61           HA       THR  61 -11.871 -11.266   3.988
  498    HB   THR  61           HB       THR  61 -13.247 -12.191   2.040
  499    HG1  THR  61           HG1      THR  61 -13.807 -10.401   0.536
  500   1HG2  THR  61          HG21      THR  61 -13.914  -9.488   3.219
  501   2HG2  THR  61          HG22      THR  61 -14.262 -11.058   3.945
  502   3HG2  THR  61          HG23      THR  61 -15.077 -10.578   2.457
  503    H    SER  62           HN       SER  62  -9.693 -10.538   1.560
  504    HA   SER  62           HA       SER  62  -8.720 -13.291   1.448
  505   1HB   SER  62          HB2       SER  62  -8.229 -12.866  -1.027
  506   2HB   SER  62          HB3       SER  62  -9.919 -13.137  -0.599
  507    HG   SER  62           HG       SER  62 -10.378 -11.183  -1.240
  508    H    GLU  63           HN       GLU  63  -6.440 -13.435   0.835
  509    HA   GLU  63           HA       GLU  63  -4.962 -11.148   1.833
  510   1HB   GLU  63          HB2       GLU  63  -3.694 -13.683   0.802
  511   2HB   GLU  63          HB3       GLU  63  -3.061 -12.536   1.966
  512   1HG   GLU  63          HG2       GLU  63  -3.638 -14.447   3.191
  513   2HG   GLU  63          HG3       GLU  63  -4.899 -13.261   3.521
  514    H    PHE  64           HN       PHE  64  -3.549  -9.920   0.670
  515    HA   PHE  64           HA       PHE  64  -3.666 -10.281  -2.246
  516   1HB   PHE  64          HB2       PHE  64  -3.374  -7.808  -0.560
  517   2HB   PHE  64          HB3       PHE  64  -2.978  -7.817  -2.271
  518    HD1  PHE  64           HD1      PHE  64  -4.628  -7.220  -3.779
  519    HD2  PHE  64           HD2      PHE  64  -5.756  -8.753   0.028
  520    HE1  PHE  64           HE1      PHE  64  -6.990  -6.815  -4.318
  521    HE2  PHE  64           HE2      PHE  64  -8.122  -8.348  -0.507
  522    HZ   PHE  64           HZ       PHE  64  -8.723  -7.312  -2.700
  523    H    TYR  65           HN       TYR  65  -1.718  -9.420  -3.387
  524    HA   TYR  65           HA       TYR  65   0.613 -10.661  -2.196
  525   1HB   TYR  65          HB2       TYR  65   0.456  -9.274  -4.879
  526   2HB   TYR  65          HB3       TYR  65   1.609 -10.502  -4.364
  527    HD1  TYR  65           HD1      TYR  65  -1.406  -9.900  -6.102
  528    HD2  TYR  65           HD2      TYR  65   0.592 -12.825  -3.749
  529    HE1  TYR  65           HE1      TYR  65  -2.884 -11.636  -7.019
  530    HE2  TYR  65           HE2      TYR  65  -0.874 -14.571  -4.661
  531    HH   TYR  65           HH       TYR  65  -3.194 -14.682  -5.670
  532    H    LEU  66           HN       LEU  66   1.525  -9.394  -0.668
  533    HA   LEU  66           HA       LEU  66   1.643  -6.512  -1.153
  534   1HB   LEU  66          HB2       LEU  66   2.147  -8.059   1.384
  535   2HB   LEU  66          HB3       LEU  66   2.090  -6.313   1.236
  536    HG   LEU  66           HG       LEU  66  -0.227  -8.190   0.780
  537   1HD1  LEU  66          HD11      LEU  66  -1.128  -7.184   2.824
  538   2HD1  LEU  66          HD12      LEU  66   0.388  -8.032   3.122
  539   3HD1  LEU  66          HD13      LEU  66   0.365  -6.271   3.024
  540   1HD2  LEU  66          HD21      LEU  66  -1.570  -6.141   0.650
  541   2HD2  LEU  66          HD22      LEU  66  -0.098  -5.176   0.739
  542   3HD2  LEU  66          HD23      LEU  66  -0.379  -6.228  -0.648
  543    H    SER  67           HN       SER  67   3.529  -5.340  -0.926
  544    HA   SER  67           HA       SER  67   6.015  -6.885  -0.625
  545   1HB   SER  67          HB2       SER  67   5.668  -4.440  -2.376
  546   2HB   SER  67          HB3       SER  67   7.061  -5.522  -2.301
  547    HG   SER  67           HG       SER  67   6.067  -6.406  -3.950
  548    H    ASP  68           HN       ASP  68   6.775  -6.322   1.308
  549    HA   ASP  68           HA       ASP  68   6.091  -3.678   2.368
  550   1HB   ASP  68          HB2       ASP  68   5.573  -5.777   3.678
  551   2HB   ASP  68          HB3       ASP  68   7.311  -6.006   3.863
  552    H    CYS  69           HN       CYS  69   7.536  -2.182   1.900
  553    HA   CYS  69           HA       CYS  69  10.324  -2.941   1.556
  554   1HB   CYS  69          HB2       CYS  69   9.155  -1.471  -0.091
  555   2HB   CYS  69          HB3       CYS  69   9.043  -0.238   1.157
  556    H    ASN  70           HN       ASN  70  11.769  -2.724   3.100
  557    HA   ASN  70           HA       ASN  70  11.209  -0.849   5.302
  558   1HB   ASN  70          HB2       ASN  70  12.316  -3.658   5.465
  559   2HB   ASN  70          HB3       ASN  70  12.363  -2.512   6.801
  560   1HD2  ASN  70          HD21      ASN  70  10.330  -4.493   4.794
  561   2HD2  ASN  70          HD22      ASN  70   8.916  -4.420   5.799
  562    H    VAL  71           HN       VAL  71  12.939   0.162   6.237
  563    HA   VAL  71           HA       VAL  71  15.273   0.490   4.606
  564    HB   VAL  71           HB       VAL  71  14.186   2.314   5.950
  565   1HG1  VAL  71          HG11      VAL  71  14.767   2.530   8.319
  566   2HG1  VAL  71          HG12      VAL  71  13.767   1.111   8.006
  567   3HG1  VAL  71          HG13      VAL  71  15.500   0.925   8.278
  568   1HG2  VAL  71          HG21      VAL  71  17.122   1.848   6.466
  569   2HG2  VAL  71          HG22      VAL  71  16.420   2.589   5.026
  570   3HG2  VAL  71          HG23      VAL  71  16.284   3.397   6.589
  571    H    THR  72           HN       THR  72  17.331  -0.117   5.029
  572    HA   THR  72           HA       THR  72  17.570  -2.566   6.561
  573    HB   THR  72           HB       THR  72  19.825  -2.677   5.490
  574    HG1  THR  72           HG1      THR  72  18.969  -0.400   4.002
  575   1HG2  THR  72          HG21      THR  72  17.908  -3.730   4.410
  576   2HG2  THR  72          HG22      THR  72  19.007  -3.053   3.206
  577   3HG2  THR  72          HG23      THR  72  17.510  -2.209   3.608
  578    H    SER  73           HN       SER  73  20.534  -1.927   6.683
  579    HA   SER  73           HA       SER  73  20.507  -0.825   9.356
  580   1HB   SER  73          HB2       SER  73  22.868  -1.781   7.768
  581   2HB   SER  73          HB3       SER  73  22.782  -1.566   9.511
  582    HG   SER  73           HG       SER  73  20.924  -3.184   9.238
  583    H    ARG  74           HN       ARG  74  20.990   0.201   6.171
  584    HA   ARG  74           HA       ARG  74  22.354   2.631   7.088
  585   1HB   ARG  74          HB2       ARG  74  22.310   1.261   4.414
  586   2HB   ARG  74          HB3       ARG  74  22.761   2.953   4.563
  587   1HG   ARG  74          HG2       ARG  74  24.586   2.369   6.044
  588   2HG   ARG  74          HG3       ARG  74  24.113   0.672   5.986
  589   1HD   ARG  74          HD2       ARG  74  24.625   0.561   3.633
  590   2HD   ARG  74          HD3       ARG  74  24.941   2.296   3.585
  591    HE   ARG  74           HE       ARG  74  26.613   1.024   5.493
  592   1HH1  ARG  74          HH12      ARG  74  26.200   1.359   2.020
  593   2HH1  ARG  74          HH11      ARG  74  27.906   1.245   1.683
  594   1HH2  ARG  74          HH22      ARG  74  28.846   0.838   5.045
  595   2HH2  ARG  74          HH21      ARG  74  29.404   0.931   3.399
  596    HA   PRO  75           HA       PRO  75  18.522   4.808   6.733
  597   1HB   PRO  75          HB2       PRO  75  20.363   7.082   6.192
  598   2HB   PRO  75          HB3       PRO  75  19.067   6.943   7.385
  599   1HG   PRO  75          HG2       PRO  75  21.624   6.778   8.120
  600   2HG   PRO  75          HG3       PRO  75  20.385   5.760   8.875
  601   1HD   PRO  75          HD2       PRO  75  22.450   5.039   6.843
  602   2HD   PRO  75          HD3       PRO  75  21.799   4.079   8.184
  603    H    CYS  76           HN       CYS  76  17.225   5.075   5.071
  604    HA   CYS  76           HA       CYS  76  16.386   5.468   3.020
  605   1HB   CYS  76          HB2       CYS  76  18.963   6.960   2.509
  606   2HB   CYS  76          HB3       CYS  76  17.513   7.048   1.515
  607    H    LYS  77           HN       LYS  77  18.552   3.273   3.604
  608    HA   LYS  77           HA       LYS  77  18.612   2.381   0.797
  609   1HB   LYS  77          HB2       LYS  77  20.299   1.412   3.117
  610   2HB   LYS  77          HB3       LYS  77  20.377   0.797   1.472
  611   1HG   LYS  77          HG2       LYS  77  21.073   3.582   2.377
  612   2HG   LYS  77          HG3       LYS  77  22.198   2.326   1.861
  613   1HD   LYS  77          HD2       LYS  77  20.049   3.522   0.113
  614   2HD   LYS  77          HD3       LYS  77  21.735   4.040   0.114
  615   1HE   LYS  77          HE2       LYS  77  22.406   1.750  -0.509
  616   2HE   LYS  77          HE3       LYS  77  20.706   1.289  -0.571
  617   1HZ   LYS  77          HZ1       LYS  77  20.338   2.745  -2.391
  618   2HZ   LYS  77          HZ2       LYS  77  21.726   1.841  -2.758
  619   3HZ   LYS  77          HZ3       LYS  77  21.875   3.451  -2.239
  620    H    TYR  78           HN       TYR  78  17.391   0.633   0.267
  621    HA   TYR  78           HA       TYR  78  15.617  -0.225   2.468
  622   1HB   TYR  78          HB2       TYR  78  14.743  -0.161  -0.394
  623   2HB   TYR  78          HB3       TYR  78  13.782   0.013   1.073
  624    HD1  TYR  78           HD1      TYR  78  13.809   2.193   2.304
  625    HD2  TYR  78           HD2      TYR  78  15.696   1.711  -1.477
  626    HE1  TYR  78           HE1      TYR  78  13.852   4.635   2.014
  627    HE2  TYR  78           HE2      TYR  78  15.743   4.148  -1.777
  628    HH   TYR  78           HH       TYR  78  14.602   6.110  -0.987
  629    H    LYS  79           HN       LYS  79  14.630  -2.246   2.354
  630    HA   LYS  79           HA       LYS  79  15.666  -4.151   0.369
  631   1HB   LYS  79          HB2       LYS  79  16.283  -4.195   3.103
  632   2HB   LYS  79          HB3       LYS  79  15.026  -5.405   2.911
  633   1HG   LYS  79          HG2       LYS  79  17.192  -6.439   2.699
  634   2HG   LYS  79          HG3       LYS  79  16.364  -6.480   1.140
  635   1HD   LYS  79          HD2       LYS  79  17.665  -4.626   0.337
  636   2HD   LYS  79          HD3       LYS  79  18.390  -4.387   1.925
  637   1HE   LYS  79          HE2       LYS  79  19.964  -5.506   0.478
  638   2HE   LYS  79          HE3       LYS  79  19.438  -6.617   1.742
  639   1HZ   LYS  79          HZ1       LYS  79  19.536  -7.586  -0.537
  640   2HZ   LYS  79          HZ2       LYS  79  18.258  -6.565  -0.982
  641   3HZ   LYS  79          HZ3       LYS  79  18.027  -7.741   0.222
  642    H    LEU  80           HN       LEU  80  14.136  -5.743  -0.259
  643    HA   LEU  80           HA       LEU  80  11.392  -4.815   0.177
  644   1HB   LEU  80          HB2       LEU  80  12.466  -4.937  -2.128
  645   2HB   LEU  80          HB3       LEU  80  12.383  -6.676  -1.973
  646    HG   LEU  80           HG       LEU  80  10.551  -5.422  -3.297
  647   1HD1  LEU  80          HD11      LEU  80   9.856  -7.493  -1.235
  648   2HD1  LEU  80          HD12      LEU  80   8.858  -7.060  -2.625
  649   3HD1  LEU  80          HD13      LEU  80  10.446  -7.786  -2.871
  650   1HD2  LEU  80          HD21      LEU  80   8.629  -4.746  -1.966
  651   2HD2  LEU  80          HD22      LEU  80   9.555  -5.024  -0.489
  652   3HD2  LEU  80          HD23      LEU  80  10.045  -3.756  -1.611
  653    H    LYS  81           HN       LYS  81   9.710  -6.242   0.648
  654    HA   LYS  81           HA       LYS  81  10.486  -8.926   1.580
  655   1HB   LYS  81          HB2       LYS  81  10.374  -7.428   3.521
  656   2HB   LYS  81          HB3       LYS  81   8.750  -6.942   3.067
  657   1HG   LYS  81          HG2       LYS  81   7.909  -9.153   3.516
  658   2HG   LYS  81          HG3       LYS  81   9.541  -9.743   3.838
  659   1HD   LYS  81          HD2       LYS  81   9.722  -8.238   5.749
  660   2HD   LYS  81          HD3       LYS  81   8.113  -7.599   5.412
  661   1HE   LYS  81          HE2       LYS  81   8.668 -10.497   6.024
  662   2HE   LYS  81          HE3       LYS  81   8.229  -9.311   7.249
  663   1HZ   LYS  81          HZ1       LYS  81   6.144  -8.930   6.104
  664   2HZ   LYS  81          HZ2       LYS  81   6.311 -10.573   6.483
  665   3HZ   LYS  81          HZ3       LYS  81   6.567 -10.044   4.894
  666    H    LYS  82           HN       LYS  82   9.428 -10.252   0.248
  667    HA   LYS  82           HA       LYS  82   6.828  -9.573  -0.809
  668   1HB   LYS  82          HB2       LYS  82   8.523 -12.053  -1.134
  669   2HB   LYS  82          HB3       LYS  82   7.041 -11.720  -2.017
  670   1HG   LYS  82          HG2       LYS  82   8.077  -9.791  -3.071
  671   2HG   LYS  82          HG3       LYS  82   9.557 -10.071  -2.150
  672   1HD   LYS  82          HD2       LYS  82   9.891 -12.191  -3.243
  673   2HD   LYS  82          HD3       LYS  82   8.344 -12.042  -4.069
  674   1HE   LYS  82          HE2       LYS  82   9.182 -10.052  -5.248
  675   2HE   LYS  82          HE3       LYS  82  10.739 -10.247  -4.442
  676   1HZ   LYS  82          HZ1       LYS  82   9.492 -12.255  -6.245
  677   2HZ   LYS  82          HZ2       LYS  82  11.030 -12.364  -5.532
  678   3HZ   LYS  82          HZ3       LYS  82  10.718 -11.176  -6.701
  679    H    SER  83           HN       SER  83   5.018  -9.979   0.295
  680    HA   SER  83           HA       SER  83   4.748 -12.522   1.699
  681   1HB   SER  83          HB2       SER  83   4.133  -9.873   3.036
  682   2HB   SER  83          HB3       SER  83   3.925 -11.476   3.741
  683    HG   SER  83           HG       SER  83   6.383 -11.508   3.053
  684    H    THR  84           HN       THR  84   2.674 -13.327   1.657
  685    HA   THR  84           HA       THR  84   0.639 -11.664   0.326
  686    HB   THR  84           HB       THR  84   0.344 -14.612   0.843
  687    HG1  THR  84           HG1      THR  84   2.357 -14.370  -0.214
  688   1HG2  THR  84          HG21      THR  84  -0.630 -12.794  -1.364
  689   2HG2  THR  84          HG22      THR  84  -1.590 -13.368   0.001
  690   3HG2  THR  84          HG23      THR  84  -0.998 -14.511  -1.207
  691    H    ASN  85           HN       ASN  85  -0.722 -10.680   1.693
  692    HA   ASN  85           HA       ASN  85  -1.876 -12.126   3.919
  693   1HB   ASN  85          HB2       ASN  85   0.359 -10.849   4.607
  694   2HB   ASN  85          HB3       ASN  85  -0.743  -9.490   4.631
  695   1HD2  ASN  85          HD21      ASN  85   0.676 -10.684   6.831
  696   2HD2  ASN  85          HD22      ASN  85  -0.520 -11.198   7.968
  697    H    LYS  86           HN       LYS  86  -3.740 -11.037   4.808
  698    HA   LYS  86           HA       LYS  86  -5.098  -9.276   3.021
  699   1HB   LYS  86          HB2       LYS  86  -5.722  -9.870   5.918
  700   2HB   LYS  86          HB3       LYS  86  -6.824  -9.219   4.718
  701   1HG   LYS  86          HG2       LYS  86  -6.726 -11.337   3.488
  702   2HG   LYS  86          HG3       LYS  86  -5.649 -11.994   4.723
  703   1HD   LYS  86          HD2       LYS  86  -7.350 -11.717   6.401
  704   2HD   LYS  86          HD3       LYS  86  -8.396 -10.914   5.252
  705   1HE   LYS  86          HE2       LYS  86  -9.186 -13.137   5.498
  706   2HE   LYS  86          HE3       LYS  86  -8.401 -13.024   3.927
  707   1HZ   LYS  86          HZ1       LYS  86  -6.646 -14.304   4.602
  708   2HZ   LYS  86          HZ2       LYS  86  -7.914 -15.025   5.463
  709   3HZ   LYS  86          HZ3       LYS  86  -6.860 -13.954   6.247
  710    H    PHE  87           HN       PHE  87  -6.008  -7.173   3.985
  711    HA   PHE  87           HA       PHE  87  -4.358  -5.923   5.988
  712   1HB   PHE  87          HB2       PHE  87  -3.846  -3.937   4.548
  713   2HB   PHE  87          HB3       PHE  87  -2.976  -5.403   4.120
  714    HD1  PHE  87           HD1      PHE  87  -3.073  -6.257   1.957
  715    HD2  PHE  87           HD2      PHE  87  -5.871  -3.286   3.155
  716    HE1  PHE  87           HE1      PHE  87  -3.809  -6.009  -0.375
  717    HE2  PHE  87           HE2      PHE  87  -6.613  -3.043   0.824
  718    HZ   PHE  87           HZ       PHE  87  -5.579  -4.407  -0.947
  719    H    CYS  88           HN       CYS  88  -5.261  -4.096   6.906
  720    HA   CYS  88           HA       CYS  88  -8.133  -3.791   6.406
  721   1HB   CYS  88          HB2       CYS  88  -7.316  -4.212   8.716
  722   2HB   CYS  88          HB3       CYS  88  -6.395  -2.715   8.644
  723    H    VAL  89           HN       VAL  89  -8.879  -2.039   5.340
  724    HA   VAL  89           HA       VAL  89  -7.072   0.278   5.076
  725    HB   VAL  89           HB       VAL  89  -8.338   0.738   2.896
  726   1HG1  VAL  89          HG11      VAL  89  -6.526  -1.669   3.058
  727   2HG1  VAL  89          HG12      VAL  89  -6.859  -0.725   1.606
  728   3HG1  VAL  89          HG13      VAL  89  -6.013   0.016   2.964
  729   1HG2  VAL  89          HG21      VAL  89  -9.269  -1.232   1.751
  730   2HG2  VAL  89          HG22      VAL  89  -9.029  -2.186   3.216
  731   3HG2  VAL  89          HG23      VAL  89 -10.171  -0.845   3.217
  732    H    THR  90           HN       THR  90  -7.909   2.290   5.392
  733    HA   THR  90           HA       THR  90 -10.504   2.445   6.654
  734    HB   THR  90           HB       THR  90  -8.618   4.703   5.945
  735    HG1  THR  90           HG1      THR  90  -8.852   3.192   8.359
  736   1HG2  THR  90          HG21      THR  90  -9.793   5.926   7.712
  737   2HG2  THR  90          HG22      THR  90 -10.854   4.541   7.966
  738   3HG2  THR  90          HG23      THR  90 -10.907   5.422   6.440
  739    H    CYS  91           HN       CYS  91 -12.213   2.381   5.337
  740    HA   CYS  91           HA       CYS  91 -12.019   3.506   2.648
  741   1HB   CYS  91          HB2       CYS  91 -14.209   1.867   3.929
  742   2HB   CYS  91          HB3       CYS  91 -14.072   2.269   2.219
  743    H    GLU  92           HN       GLU  92 -12.798   5.423   2.167
  744    HA   GLU  92           HA       GLU  92 -15.249   6.342   3.456
  745   1HB   GLU  92          HB2       GLU  92 -13.191   7.356   4.604
  746   2HB   GLU  92          HB3       GLU  92 -12.930   8.221   3.101
  747   1HG   GLU  92          HG2       GLU  92 -15.220   9.175   3.338
  748   2HG   GLU  92          HG3       GLU  92 -15.300   8.435   4.930
  749    H    ASN  93           HN       ASN  93 -16.605   7.294   2.029
  750    HA   ASN  93           HA       ASN  93 -17.525   7.793   0.011
  751   1HB   ASN  93          HB2       ASN  93 -14.777   8.954  -0.533
  752   2HB   ASN  93          HB3       ASN  93 -16.195   9.218  -1.542
  753   1HD2  ASN  93          HD21      ASN  93 -14.532  10.074   1.312
  754   2HD2  ASN  93          HD22      ASN  93 -15.608  11.328   1.834
  755    H    GLN  94           HN       GLN  94 -16.362   5.236   0.392
  756    HA   GLN  94           HA       GLN  94 -16.157   3.301  -0.741
  757   1HB   GLN  94          HB2       GLN  94 -16.669   4.877  -3.262
  758   2HB   GLN  94          HB3       GLN  94 -16.840   3.142  -3.042
  759   1HG   GLN  94          HG2       GLN  94 -18.621   3.636  -1.345
  760   2HG   GLN  94          HG3       GLN  94 -18.536   5.321  -1.858
  761   1HE2  GLN  94          HE21      GLN  94 -17.903   4.375  -4.615
  762   2HE2  GLN  94          HE22      GLN  94 -19.426   3.910  -5.292
  763    H    ALA  95           HN       ALA  95 -13.879   5.256  -0.422
  764    HA   ALA  95           HA       ALA  95 -12.067   3.827  -2.234
  765   1HB   ALA  95          HB1       ALA  95 -10.817   5.871  -2.695
  766   2HB   ALA  95          HB2       ALA  95 -12.491   6.019  -3.231
  767   3HB   ALA  95          HB3       ALA  95 -11.970   6.801  -1.737
  768    HA   PRO  96           HA       PRO  96  -9.621   3.302   1.497
  769   1HB   PRO  96          HB2       PRO  96  -7.419   2.835  -0.389
  770   2HB   PRO  96          HB3       PRO  96  -8.082   1.760   0.844
  771   1HG   PRO  96          HG2       PRO  96  -8.454   1.375  -1.812
  772   2HG   PRO  96          HG3       PRO  96  -9.620   0.863  -0.591
  773   1HD   PRO  96          HD2       PRO  96  -9.723   3.168  -2.454
  774   2HD   PRO  96          HD3       PRO  96 -11.045   2.196  -1.790
  775    H    VAL  97           HN       VAL  97  -9.235   5.258   2.409
  776    HA   VAL  97           HA       VAL  97  -7.490   7.132   0.959
  777    HB   VAL  97           HB       VAL  97  -8.415   8.878   2.494
  778   1HG1  VAL  97          HG11      VAL  97 -10.591   9.037   1.361
  779   2HG1  VAL  97          HG12      VAL  97  -9.297   8.607   0.241
  780   3HG1  VAL  97          HG13      VAL  97 -10.417   7.369   0.810
  781   1HG2  VAL  97          HG21      VAL  97 -10.371   6.712   3.245
  782   2HG2  VAL  97          HG22      VAL  97  -9.091   7.330   4.288
  783   3HG2  VAL  97          HG23      VAL  97 -10.405   8.392   3.778
  784    H    HIS  98           HN       HIS  98  -7.696   5.153   3.724
  785    HA   HIS  98           HA       HIS  98  -5.091   6.139   4.621
  786   1HB   HIS  98          HB2       HIS  98  -7.508   5.728   6.390
  787   2HB   HIS  98          HB3       HIS  98  -5.871   5.795   7.014
  788    HD1  HIS  98           HD1      HIS  98  -4.696   8.107   7.033
  789    HD2  HIS  98           HD2      HIS  98  -8.624   8.190   5.678
  790    HE1  HIS  98           HE1      HIS  98  -5.368  10.524   7.044
  791    HE2  HIS  98           HE2      HIS  98  -7.798  10.536   6.385
  792    H    PHE  99           HN       PHE  99  -3.792   4.532   5.587
  793    HA   PHE  99           HA       PHE  99  -4.778   1.803   5.096
  794   1HB   PHE  99          HB2       PHE  99  -2.802   2.551   3.758
  795   2HB   PHE  99          HB3       PHE  99  -1.906   2.739   5.263
  796    HD1  PHE  99           HD1      PHE  99  -0.662   0.978   6.063
  797    HD2  PHE  99           HD2      PHE  99  -3.837   0.195   3.341
  798    HE1  PHE  99           HE1      PHE  99   0.006  -1.388   5.974
  799    HE2  PHE  99           HE2      PHE  99  -3.181  -2.175   3.250
  800    HZ   PHE  99           HZ       PHE  99  -1.258  -2.966   4.521
  801    H    VAL 100           HN       VAL 100  -5.208   0.623   6.814
  802    HA   VAL 100           HA       VAL 100  -4.527   1.573   9.446
  803    HB   VAL 100           HB       VAL 100  -6.007  -0.915   8.574
  804   1HG1  VAL 100          HG11      VAL 100  -5.104  -1.244  10.779
  805   2HG1  VAL 100          HG12      VAL 100  -5.709   0.329  11.304
  806   3HG1  VAL 100          HG13      VAL 100  -6.840  -0.962  10.900
  807   1HG2  VAL 100          HG21      VAL 100  -8.023   0.335   9.208
  808   2HG2  VAL 100          HG22      VAL 100  -7.030   1.752   9.551
  809   3HG2  VAL 100          HG23      VAL 100  -7.145   1.132   7.904
  810    H    GLY 101           HN       GLY 101  -4.165  -1.640   7.945
  811   1HA   GLY 101          HA1       GLY 101  -1.404  -1.864   8.151
  812   2HA   GLY 101          HA2       GLY 101  -2.065  -2.471   9.665
  813    H    VAL 102           HN       VAL 102  -0.682  -4.216   8.104
  814    HA   VAL 102           HA       VAL 102  -2.630  -5.629   6.472
  815    HB   VAL 102           HB       VAL 102  -0.952  -6.797   5.510
  816   1HG1  VAL 102          HG11      VAL 102  -0.432  -4.480   5.124
  817   2HG1  VAL 102          HG12      VAL 102   0.547  -4.431   6.592
  818   3HG1  VAL 102          HG13      VAL 102   1.056  -5.425   5.226
  819   1HG2  VAL 102          HG21      VAL 102   0.743  -6.598   7.989
  820   2HG2  VAL 102          HG22      VAL 102  -0.243  -7.984   7.522
  821   3HG2  VAL 102          HG23      VAL 102   1.132  -7.508   6.528
  822    H    GLY 103           HN       GLY 103  -3.157  -7.848   6.820
  823   1HA   GLY 103          HA1       GLY 103  -3.287  -9.776   8.197
  824   2HA   GLY 103          HA2       GLY 103  -2.727  -8.816   9.557
  825    H    SER 104           HN       SER 104  -4.301  -6.924  10.083
  826    HA   SER 104           HA       SER 104  -7.085  -7.458   9.636
  827   1HB   SER 104          HB2       SER 104  -6.411  -9.219  11.318
  828   2HB   SER 104          HB3       SER 104  -6.026  -7.911  12.432
  829    HG   SER 104           HG       SER 104  -8.045  -7.849  12.927
  830    H    CYS 105           HN       CYS 105  -8.377  -6.104  11.333
  831    HA   CYS 105           HA       CYS 105  -7.252  -3.411  11.282
  832   1HB   CYS 105          HB2       CYS 105 -10.016  -4.375  12.060
  833   2HB   CYS 105          HB3       CYS 105  -9.531  -2.692  11.886
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1  -1.113  16.699   1.030
    2   2H    MET   1           H2       MET   1  -0.395  15.172   0.905
    3   3H    MET   1           H3       MET   1  -1.343  15.548   2.253
    4    HA   MET   1           HA       MET   1  -3.285  15.770   0.846
    5   1HB   MET   1          HB2       MET   1  -3.161  14.902  -1.473
    6   2HB   MET   1          HB3       MET   1  -2.223  16.369  -1.236
    7   1HG   MET   1          HG2       MET   1  -0.178  15.034  -1.096
    8   2HG   MET   1          HG3       MET   1  -1.122  13.569  -1.353
    9   1HE   MET   1          HE1       MET   1   0.170  16.928  -2.960
   10   2HE   MET   1          HE2       MET   1  -0.688  16.918  -4.500
   11   3HE   MET   1          HE3       MET   1  -1.586  17.091  -2.991
   12    H    GLN   2           HN       GLN   2  -4.230  14.302   2.063
   13    HA   GLN   2           HA       GLN   2  -3.373  11.496   1.815
   14   1HB   GLN   2          HB2       GLN   2  -4.929  12.942   3.959
   15   2HB   GLN   2          HB3       GLN   2  -4.885  11.191   3.858
   16   1HG   GLN   2          HG2       GLN   2  -3.296  11.849   5.480
   17   2HG   GLN   2          HG3       GLN   2  -2.399  11.319   4.060
   18   1HE2  GLN   2          HE21      GLN   2  -3.383  14.046   5.978
   19   2HE2  GLN   2          HE22      GLN   2  -2.216  15.164   5.359
   20    H    ASP   3           HN       ASP   3  -4.431  10.806   0.015
   21    HA   ASP   3           HA       ASP   3  -7.293  10.503   0.179
   22   1HB   ASP   3          HB2       ASP   3  -7.924  11.778  -1.674
   23   2HB   ASP   3          HB3       ASP   3  -6.747  12.816  -0.877
   24    H    TRP   4           HN       TRP   4  -7.997   9.583  -2.158
   25    HA   TRP   4           HA       TRP   4  -6.829   7.039  -2.265
   26   1HB   TRP   4          HB2       TRP   4  -9.112   7.240  -2.871
   27   2HB   TRP   4          HB3       TRP   4  -8.762   8.474  -4.077
   28    HD1  TRP   4           HD1      TRP   4  -8.789   7.609  -6.466
   29    HE1  TRP   4           HE1      TRP   4  -8.415   5.345  -7.628
   30    HE3  TRP   4           HE3      TRP   4  -7.622   4.786  -2.364
   31    HZ2  TRP   4           HZ2      TRP   4  -7.705   2.711  -6.894
   32    HZ3  TRP   4           HZ3      TRP   4  -7.118   2.397  -2.680
   33    HH2  TRP   4           HH2      TRP   4  -7.152   1.389  -4.900
   34    H    LEU   5           HN       LEU   5  -6.409   9.871  -4.381
   35    HA   LEU   5           HA       LEU   5  -4.989   8.517  -6.406
   36   1HB   LEU   5          HB2       LEU   5  -5.125  11.410  -5.590
   37   2HB   LEU   5          HB3       LEU   5  -4.104  10.874  -6.908
   38    HG   LEU   5           HG       LEU   5  -6.162  11.742  -7.796
   39   1HD1  LEU   5          HD11      LEU   5  -6.124   8.738  -7.978
   40   2HD1  LEU   5          HD12      LEU   5  -6.932   9.833  -9.100
   41   3HD1  LEU   5          HD13      LEU   5  -5.173   9.850  -8.962
   42   1HD2  LEU   5          HD21      LEU   5  -7.570   9.711  -6.077
   43   2HD2  LEU   5          HD22      LEU   5  -7.618  11.464  -5.885
   44   3HD2  LEU   5          HD23      LEU   5  -8.334  10.712  -7.313
   45    H    THR   6           HN       THR   6  -3.989  10.061  -3.429
   46    HA   THR   6           HA       THR   6  -1.180   9.698  -3.931
   47    HB   THR   6           HB       THR   6  -2.539  10.266  -1.290
   48    HG1  THR   6           HG1      THR   6  -3.176  11.943  -2.555
   49   1HG2  THR   6          HG21      THR   6  -0.387  11.314  -0.734
   50   2HG2  THR   6          HG22      THR   6   0.249  10.830  -2.307
   51   3HG2  THR   6          HG23      THR   6  -0.196   9.601  -1.120
   52    H    PHE   7           HN       PHE   7  -3.770   7.938  -2.425
   53    HA   PHE   7           HA       PHE   7  -2.289   6.146  -0.855
   54   1HB   PHE   7          HB2       PHE   7  -4.741   6.472  -0.658
   55   2HB   PHE   7          HB3       PHE   7  -4.959   5.686  -2.214
   56    HD1  PHE   7           HD1      PHE   7  -4.361   5.225   1.324
   57    HD2  PHE   7           HD2      PHE   7  -4.516   3.271  -2.459
   58    HE1  PHE   7           HE1      PHE   7  -4.516   3.050   2.461
   59    HE2  PHE   7           HE2      PHE   7  -4.671   1.092  -1.322
   60    HZ   PHE   7           HZ       PHE   7  -4.671   0.977   1.136
   61    H    GLN   8           HN       GLN   8  -3.479   5.901  -4.198
   62    HA   GLN   8           HA       GLN   8  -2.512   3.360  -4.822
   63   1HB   GLN   8          HB2       GLN   8  -2.641   5.787  -6.597
   64   2HB   GLN   8          HB3       GLN   8  -2.589   4.122  -7.115
   65   1HG   GLN   8          HG2       GLN   8  -4.759   3.694  -6.214
   66   2HG   GLN   8          HG3       GLN   8  -4.816   5.310  -5.505
   67   1HE2  GLN   8          HE21      GLN   8  -5.134   7.085  -6.839
   68   2HE2  GLN   8          HE22      GLN   8  -5.713   6.933  -8.460
   69    H    LYS   9           HN       LYS   9  -0.995   6.546  -5.284
   70    HA   LYS   9           HA       LYS   9   1.402   5.764  -6.411
   71   1HB   LYS   9          HB2       LYS   9   0.667   8.042  -4.590
   72   2HB   LYS   9          HB3       LYS   9   2.288   7.870  -5.235
   73   1HG   LYS   9          HG2       LYS   9   1.559   8.200  -7.451
   74   2HG   LYS   9          HG3       LYS   9  -0.136   7.979  -7.001
   75   1HD   LYS   9          HD2       LYS   9  -0.276  10.053  -5.994
   76   2HD   LYS   9          HD3       LYS   9   1.468  10.173  -5.754
   77   1HE   LYS   9          HE2       LYS   9   0.653  11.708  -7.495
   78   2HE   LYS   9          HE3       LYS   9   1.804  10.531  -8.122
   79   1HZ   LYS   9          HZ1       LYS   9  -1.157  10.399  -8.406
   80   2HZ   LYS   9          HZ2       LYS   9  -0.063   9.236  -8.979
   81   3HZ   LYS   9          HZ3       LYS   9  -0.047  10.801  -9.626
   82    H    LYS  10           HN       LYS  10   0.461   5.795  -3.007
   83    HA   LYS  10           HA       LYS  10   3.149   5.039  -2.201
   84   1HB   LYS  10          HB2       LYS  10   0.677   5.755  -0.663
   85   2HB   LYS  10          HB3       LYS  10   2.061   5.014   0.126
   86   1HG   LYS  10          HG2       LYS  10   3.442   6.921  -0.823
   87   2HG   LYS  10          HG3       LYS  10   1.902   7.696  -1.214
   88   1HD   LYS  10          HD2       LYS  10   1.240   7.645   1.112
   89   2HD   LYS  10          HD3       LYS  10   2.686   6.732   1.536
   90   1HE   LYS  10          HE2       LYS  10   3.110   8.966   2.172
   91   2HE   LYS  10          HE3       LYS  10   4.029   8.695   0.694
   92   1HZ   LYS  10          HZ1       LYS  10   2.383   9.864  -0.556
   93   2HZ   LYS  10          HZ2       LYS  10   2.836  10.838   0.754
   94   3HZ   LYS  10          HZ3       LYS  10   1.364   9.998   0.791
   95    H    HIS  11           HN       HIS  11   0.214   3.355  -2.951
   96    HA   HIS  11           HA       HIS  11   1.262   1.056  -1.441
   97   1HB   HIS  11          HB2       HIS  11  -1.555   2.105  -1.309
   98   2HB   HIS  11          HB3       HIS  11  -1.109   0.485  -0.779
   99    HD1  HIS  11           HD1      HIS  11   0.874   0.482   1.135
  100    HD2  HIS  11           HD2      HIS  11  -1.282   4.002   0.616
  101    HE1  HIS  11           HE1      HIS  11   1.247   1.818   3.227
  102    HE2  HIS  11           HE2      HIS  11   0.154   4.043   2.774
  103    H    ILE  12           HN       ILE  12  -0.199   2.098  -4.384
  104    HA   ILE  12           HA       ILE  12  -0.813  -0.692  -5.032
  105    HB   ILE  12           HB       ILE  12  -1.726   1.896  -6.221
  106   1HG1  ILE  12          HG12      ILE  12  -3.857   0.425  -6.304
  107   2HG1  ILE  12          HG13      ILE  12  -2.965  -0.662  -5.268
  108   1HG2  ILE  12          HG21      ILE  12  -1.736  -0.744  -7.688
  109   2HG2  ILE  12          HG22      ILE  12  -2.573   0.722  -8.200
  110   3HG2  ILE  12          HG23      ILE  12  -0.811   0.691  -8.134
  111   1HD1  ILE  12          HD11      ILE  12  -2.704   1.194  -3.648
  112   2HD1  ILE  12          HD12      ILE  12  -3.779   2.152  -4.666
  113   3HD1  ILE  12          HD13      ILE  12  -4.368   0.671  -3.917
  114    H    THR  13           HN       THR  13   0.723  -1.845  -5.964
  115    HA   THR  13           HA       THR  13   2.484  -0.518  -7.914
  116    HB   THR  13           HB       THR  13   3.712  -0.978  -5.780
  117    HG1  THR  13           HG1      THR  13   5.458  -2.122  -6.866
  118   1HG2  THR  13          HG21      THR  13   3.189  -3.861  -6.499
  119   2HG2  THR  13          HG22      THR  13   2.580  -3.010  -5.078
  120   3HG2  THR  13          HG23      THR  13   4.313  -3.309  -5.254
  121    H    ASN  14           HN       ASN  14   3.320  -1.966  -9.572
  122    HA   ASN  14           HA       ASN  14   1.345  -4.073 -10.160
  123   1HB   ASN  14          HB2       ASN  14   2.992  -2.427 -12.091
  124   2HB   ASN  14          HB3       ASN  14   1.784  -3.627 -12.532
  125   1HD2  ASN  14          HD21      ASN  14  -0.043  -2.831 -10.393
  126   2HD2  ASN  14          HD22      ASN  14  -0.734  -1.328 -10.895
  127    H    THR  15           HN       THR  15   4.034  -4.129  -8.740
  128    HA   THR  15           HA       THR  15   5.076  -6.437 -10.196
  129    HB   THR  15           HB       THR  15   6.493  -4.623 -10.945
  130    HG1  THR  15           HG1      THR  15   8.514  -5.421 -10.158
  131   1HG2  THR  15          HG21      THR  15   7.836  -3.291  -9.375
  132   2HG2  THR  15          HG22      THR  15   6.996  -4.052  -8.024
  133   3HG2  THR  15          HG23      THR  15   6.107  -3.028  -9.150
  134    H    ARG  16           HN       ARG  16   6.021  -8.015  -8.868
  135    HA   ARG  16           HA       ARG  16   5.240  -7.946  -6.107
  136   1HB   ARG  16          HB2       ARG  16   6.753  -9.940  -7.780
  137   2HB   ARG  16          HB3       ARG  16   6.610 -10.131  -6.037
  138   1HG   ARG  16          HG2       ARG  16   4.300  -9.920  -7.949
  139   2HG   ARG  16          HG3       ARG  16   4.930 -11.420  -7.264
  140   1HD   ARG  16          HD2       ARG  16   3.994  -9.134  -5.557
  141   2HD   ARG  16          HD3       ARG  16   2.895 -10.383  -6.132
  142    HE   ARG  16           HE       ARG  16   4.511 -11.966  -4.944
  143   1HH1  ARG  16          HH12      ARG  16   4.039  -8.656  -3.909
  144   2HH1  ARG  16          HH11      ARG  16   4.202  -9.021  -2.220
  145   1HH2  ARG  16          HH22      ARG  16   4.686 -12.456  -2.709
  146   2HH2  ARG  16          HH21      ARG  16   4.540 -11.179  -1.544
  147    H    ASP  17           HN       ASP  17   8.093  -7.208  -7.893
  148    HA   ASP  17           HA       ASP  17   9.521  -6.757  -5.357
  149   1HB   ASP  17          HB2       ASP  17  10.537  -8.477  -6.906
  150   2HB   ASP  17          HB3       ASP  17  10.793  -7.184  -8.073
  151    H    VAL  18           HN       VAL  18   8.603  -4.687  -5.131
  152    HA   VAL  18           HA       VAL  18   8.881  -2.733  -7.213
  153    HB   VAL  18           HB       VAL  18   6.992  -2.402  -5.842
  154   1HG1  VAL  18          HG11      VAL  18   7.137  -2.063  -3.380
  155   2HG1  VAL  18          HG12      VAL  18   7.541  -3.699  -3.907
  156   3HG1  VAL  18          HG13      VAL  18   8.824  -2.575  -3.458
  157   1HG2  VAL  18          HG21      VAL  18   7.355  -0.193  -4.809
  158   2HG2  VAL  18          HG22      VAL  18   9.097  -0.418  -4.987
  159   3HG2  VAL  18          HG23      VAL  18   8.067  -0.320  -6.418
  160    H    ASP  19           HN       ASP  19  10.391  -1.124  -7.406
  161    HA   ASP  19           HA       ASP  19  12.877  -1.564  -6.029
  162   1HB   ASP  19          HB2       ASP  19  12.653  -0.904  -8.490
  163   2HB   ASP  19          HB3       ASP  19  12.318   0.725  -7.907
  164    H    CYS  20           HN       CYS  20  12.130  -1.129  -3.945
  165    HA   CYS  20           HA       CYS  20  11.051   1.171  -2.908
  166   1HB   CYS  20          HB2       CYS  20  13.265  -0.339  -1.547
  167   2HB   CYS  20          HB3       CYS  20  11.857   0.437  -0.822
  168    H    ASP  21           HN       ASP  21  14.441   0.444  -3.544
  169    HA   ASP  21           HA       ASP  21  15.601   2.556  -2.144
  170   1HB   ASP  21          HB2       ASP  21  16.671   0.453  -3.153
  171   2HB   ASP  21          HB3       ASP  21  16.776   1.372  -4.650
  172    H    ASN  22           HN       ASN  22  14.305   2.427  -5.396
  173    HA   ASN  22           HA       ASN  22  15.247   5.135  -5.970
  174   1HB   ASN  22          HB2       ASN  22  15.302   3.195  -7.648
  175   2HB   ASN  22          HB3       ASN  22  13.559   3.382  -7.759
  176   1HD2  ASN  22          HD21      ASN  22  15.505   3.690  -9.848
  177   2HD2  ASN  22          HD22      ASN  22  15.369   5.315 -10.424
  178    H    ILE  23           HN       ILE  23  12.189   3.343  -5.789
  179    HA   ILE  23           HA       ILE  23  10.550   5.541  -6.427
  180    HB   ILE  23           HB       ILE  23   9.918   2.939  -5.037
  181   1HG1  ILE  23          HG12      ILE  23   9.462   3.960  -7.851
  182   2HG1  ILE  23          HG13      ILE  23  10.662   2.769  -7.364
  183   1HG2  ILE  23          HG21      ILE  23   7.962   4.995  -6.067
  184   2HG2  ILE  23          HG22      ILE  23   7.557   3.407  -5.411
  185   3HG2  ILE  23          HG23      ILE  23   8.274   4.638  -4.369
  186   1HD1  ILE  23          HD11      ILE  23   7.678   2.429  -7.203
  187   2HD1  ILE  23          HD12      ILE  23   8.742   1.725  -8.420
  188   3HD1  ILE  23          HD13      ILE  23   8.883   1.229  -6.733
  189    H    LEU  24           HN       LEU  24  11.652   4.283  -3.299
  190    HA   LEU  24           HA       LEU  24  10.003   6.109  -1.817
  191   1HB   LEU  24          HB2       LEU  24  12.071   4.087  -1.129
  192   2HB   LEU  24          HB3       LEU  24  11.752   5.354   0.040
  193    HG   LEU  24           HG       LEU  24   9.426   4.687   0.184
  194   1HD1  LEU  24          HD11      LEU  24   9.076   3.968  -2.094
  195   2HD1  LEU  24          HD12      LEU  24  10.118   2.569  -1.824
  196   3HD1  LEU  24          HD13      LEU  24   8.588   2.713  -0.954
  197   1HD2  LEU  24          HD21      LEU  24  11.299   2.349   0.441
  198   2HD2  LEU  24          HD22      LEU  24  10.986   3.578   1.667
  199   3HD2  LEU  24          HD23      LEU  24   9.703   2.471   1.180
  200    H    SER  25           HN       SER  25  12.767   6.565  -3.604
  201    HA   SER  25           HA       SER  25  13.933   8.553  -1.837
  202   1HB   SER  25          HB2       SER  25  15.385   7.099  -3.226
  203   2HB   SER  25          HB3       SER  25  14.676   7.806  -4.676
  204    HG   SER  25           HG       SER  25  15.409   9.888  -3.522
  205    H    THR  26           HN       THR  26  11.322   8.487  -3.824
  206    HA   THR  26           HA       THR  26  11.622  11.068  -5.064
  207    HB   THR  26           HB       THR  26   9.252  10.809  -5.700
  208    HG1  THR  26           HG1      THR  26   9.205   8.209  -4.624
  209   1HG2  THR  26          HG21      THR  26  10.914   8.330  -6.168
  210   2HG2  THR  26          HG22      THR  26  10.955   9.809  -7.127
  211   3HG2  THR  26          HG23      THR  26   9.503   8.810  -7.110
  212    H    ASN  27           HN       ASN  27   9.844  12.731  -4.673
  213    HA   ASN  27           HA       ASN  27   9.955  13.605  -1.971
  214   1HB   ASN  27          HB2       ASN  27   9.783  15.083  -3.992
  215   2HB   ASN  27          HB3       ASN  27   8.111  14.566  -4.173
  216   1HD2  ASN  27          HD21      ASN  27   6.551  15.413  -2.846
  217   2HD2  ASN  27          HD22      ASN  27   6.858  16.705  -1.732
  218    H    LEU  28           HN       LEU  28   7.974  11.438  -3.603
  219    HA   LEU  28           HA       LEU  28   5.515  11.796  -2.233
  220   1HB   LEU  28          HB2       LEU  28   5.671  10.733  -4.415
  221   2HB   LEU  28          HB3       LEU  28   6.662   9.453  -3.747
  222    HG   LEU  28           HG       LEU  28   4.713   8.784  -2.324
  223   1HD1  LEU  28          HD11      LEU  28   3.248  10.743  -4.089
  224   2HD1  LEU  28          HD12      LEU  28   2.498   9.595  -2.981
  225   3HD1  LEU  28          HD13      LEU  28   3.506  10.898  -2.352
  226   1HD2  LEU  28          HD21      LEU  28   5.317   7.662  -4.429
  227   2HD2  LEU  28          HD22      LEU  28   3.582   7.630  -4.117
  228   3HD2  LEU  28          HD23      LEU  28   4.243   8.757  -5.301
  229    H    PHE  29           HN       PHE  29   8.492  10.288  -1.374
  230    HA   PHE  29           HA       PHE  29   7.192   9.018   0.945
  231   1HB   PHE  29          HB2       PHE  29   9.421   7.822  -0.724
  232   2HB   PHE  29          HB3       PHE  29   8.862   7.175   0.811
  233    HD1  PHE  29           HD1      PHE  29   8.313   7.352  -2.731
  234    HD2  PHE  29           HD2      PHE  29   6.553   6.251   0.978
  235    HE1  PHE  29           HE1      PHE  29   6.668   5.981  -3.929
  236    HE2  PHE  29           HE2      PHE  29   4.894   4.876  -0.213
  237    HZ   PHE  29           HZ       PHE  29   4.954   4.737  -2.669
  238    H    HIS  30           HN       HIS  30   9.892  10.595  -0.514
  239    HA   HIS  30           HA       HIS  30  11.857  11.385   0.213
  240   1HB   HIS  30          HB2       HIS  30  11.696  13.067   1.939
  241   2HB   HIS  30          HB3       HIS  30  10.329  13.156   0.856
  242    HD1  HIS  30           HD1      HIS  30  11.249  12.526   4.401
  243    HD2  HIS  30           HD2      HIS  30   7.852  12.589   2.011
  244    HE1  HIS  30           HE1      HIS  30   9.300  12.559   6.000
  245    HE2  HIS  30           HE2      HIS  30   7.261  12.780   4.522
  246    H    CYS  31           HN       CYS  31  11.649   8.779   0.786
  247    HA   CYS  31           HA       CYS  31  12.735   7.118   1.824
  248   1HB   CYS  31          HB2       CYS  31  14.432   9.298   3.057
  249   2HB   CYS  31          HB3       CYS  31  14.872   7.609   2.831
  250    H    LYS  32           HN       LYS  32  10.668   6.908   3.033
  251    HA   LYS  32           HA       LYS  32  10.740   7.450   5.856
  252   1HB   LYS  32          HB2       LYS  32   8.694   6.177   5.969
  253   2HB   LYS  32          HB3       LYS  32   8.620   7.246   4.579
  254   1HG   LYS  32          HG2       LYS  32   9.435   5.171   3.249
  255   2HG   LYS  32          HG3       LYS  32   8.890   4.275   4.664
  256   1HD   LYS  32          HD2       LYS  32   7.186   6.201   3.090
  257   2HD   LYS  32          HD3       LYS  32   7.159   4.447   2.906
  258   1HE   LYS  32          HE2       LYS  32   6.454   4.206   5.228
  259   2HE   LYS  32          HE3       LYS  32   6.522   5.955   5.441
  260   1HZ   LYS  32          HZ1       LYS  32   4.767   4.622   3.451
  261   2HZ   LYS  32          HZ2       LYS  32   4.727   6.242   3.951
  262   3HZ   LYS  32          HZ3       LYS  32   4.262   5.021   5.020
  263    H    ASP  33           HN       ASP  33  10.320   5.360   7.307
  264    HA   ASP  33           HA       ASP  33  12.743   3.851   7.202
  265   1HB   ASP  33          HB2       ASP  33  10.280   3.470   8.918
  266   2HB   ASP  33          HB3       ASP  33  11.799   2.609   9.139
  267    H    LYS  34           HN       LYS  34   9.329   2.914   6.915
  268    HA   LYS  34           HA       LYS  34  10.067   0.879   4.973
  269   1HB   LYS  34          HB2       LYS  34   8.632  -0.796   6.221
  270   2HB   LYS  34          HB3       LYS  34  10.174  -0.403   6.977
  271   1HG   LYS  34          HG2       LYS  34   8.872   1.322   8.318
  272   2HG   LYS  34          HG3       LYS  34   7.424   0.479   7.769
  273   1HD   LYS  34          HD2       LYS  34   9.645  -1.076   8.998
  274   2HD   LYS  34          HD3       LYS  34   8.584  -0.135  10.040
  275   1HE   LYS  34          HE2       LYS  34   7.752  -2.390   9.919
  276   2HE   LYS  34          HE3       LYS  34   6.637  -1.330   9.064
  277   1HZ   LYS  34          HZ1       LYS  34   7.135  -3.465   7.927
  278   2HZ   LYS  34          HZ2       LYS  34   8.733  -2.941   7.714
  279   3HZ   LYS  34          HZ3       LYS  34   7.458  -2.092   6.987
  280    H    ASN  35           HN       ASN  35   8.285   0.125   3.712
  281    HA   ASN  35           HA       ASN  35   5.731   1.512   4.005
  282   1HB   ASN  35          HB2       ASN  35   7.230   2.962   2.576
  283   2HB   ASN  35          HB3       ASN  35   7.267   1.653   1.406
  284   1HD2  ASN  35          HD21      ASN  35   5.485   1.241   0.164
  285   2HD2  ASN  35          HD22      ASN  35   4.128   2.311   0.070
  286    H    THR  36           HN       THR  36   4.053   0.229   3.380
  287    HA   THR  36           HA       THR  36   4.733  -2.394   2.266
  288    HB   THR  36           HB       THR  36   2.131  -1.489   3.522
  289    HG1  THR  36           HG1      THR  36   4.262  -3.034   4.648
  290   1HG2  THR  36          HG21      THR  36   3.200  -4.239   2.872
  291   2HG2  THR  36          HG22      THR  36   1.883  -3.413   2.037
  292   3HG2  THR  36          HG23      THR  36   1.692  -3.898   3.722
  293    H    PHE  37           HN       PHE  37   4.588  -2.544   0.111
  294    HA   PHE  37           HA       PHE  37   2.518  -1.032  -1.305
  295   1HB   PHE  37          HB2       PHE  37   4.836  -2.683  -2.322
  296   2HB   PHE  37          HB3       PHE  37   3.657  -1.895  -3.363
  297    HD1  PHE  37           HD1      PHE  37   6.482  -1.374  -1.070
  298    HD2  PHE  37           HD2      PHE  37   3.702   0.471  -3.713
  299    HE1  PHE  37           HE1      PHE  37   7.812   0.688  -1.027
  300    HE2  PHE  37           HE2      PHE  37   5.036   2.534  -3.674
  301    HZ   PHE  37           HZ       PHE  37   7.176   2.583  -2.387
  302    H    ILE  38           HN       ILE  38   1.099  -2.048  -2.764
  303    HA   ILE  38           HA       ILE  38   0.461  -4.841  -2.069
  304    HB   ILE  38           HB       ILE  38  -1.391  -2.621  -2.970
  305   1HG1  ILE  38          HG12      ILE  38  -1.305  -3.960  -0.267
  306   2HG1  ILE  38          HG13      ILE  38  -0.426  -2.476  -0.619
  307   1HG2  ILE  38          HG21      ILE  38  -2.055  -5.420  -2.063
  308   2HG2  ILE  38          HG22      ILE  38  -3.211  -4.165  -2.516
  309   3HG2  ILE  38          HG23      ILE  38  -2.119  -4.838  -3.726
  310   1HD1  ILE  38          HD11      ILE  38  -2.538  -2.027   0.493
  311   2HD1  ILE  38          HD12      ILE  38  -2.519  -1.351  -1.135
  312   3HD1  ILE  38          HD13      ILE  38  -3.407  -2.839  -0.810
  313    H    TYR  39           HN       TYR  39   0.892  -6.202  -3.700
  314    HA   TYR  39           HA       TYR  39   1.079  -5.246  -6.417
  315   1HB   TYR  39          HB2       TYR  39   2.653  -6.957  -5.811
  316   2HB   TYR  39          HB3       TYR  39   1.369  -8.014  -5.235
  317    HD1  TYR  39           HD1      TYR  39   2.335  -6.218  -8.370
  318    HD2  TYR  39           HD2      TYR  39   0.731  -9.745  -6.620
  319    HE1  TYR  39           HE1      TYR  39   2.182  -7.247 -10.596
  320    HE2  TYR  39           HE2      TYR  39   0.573 -10.786  -8.840
  321    HH   TYR  39           HH       TYR  39   1.996  -9.317 -11.658
  322    H    SER  40           HN       SER  40  -0.861  -4.573  -7.024
  323    HA   SER  40           HA       SER  40  -2.645  -6.381  -8.164
  324   1HB   SER  40          HB2       SER  40  -3.293  -6.729  -5.737
  325   2HB   SER  40          HB3       SER  40  -3.772  -5.038  -5.682
  326    HG   SER  40           HG       SER  40  -4.882  -7.137  -7.231
  327    H    ARG  41           HN       ARG  41  -4.747  -5.006  -8.794
  328    HA   ARG  41           HA       ARG  41  -3.686  -2.475  -9.726
  329   1HB   ARG  41          HB2       ARG  41  -6.171  -4.022 -10.393
  330   2HB   ARG  41          HB3       ARG  41  -5.953  -2.367 -10.923
  331   1HG   ARG  41          HG2       ARG  41  -4.056  -4.612 -11.537
  332   2HG   ARG  41          HG3       ARG  41  -5.318  -4.031 -12.629
  333   1HD   ARG  41          HD2       ARG  41  -4.312  -1.844 -12.685
  334   2HD   ARG  41          HD3       ARG  41  -3.115  -2.324 -11.488
  335    HE   ARG  41           HE       ARG  41  -2.769  -4.081 -13.556
  336   1HH1  ARG  41          HH12      ARG  41  -2.847  -0.592 -13.276
  337   2HH1  ARG  41          HH11      ARG  41  -1.593  -0.338 -14.460
  338   1HH2  ARG  41          HH22      ARG  41  -1.136  -3.760 -15.136
  339   2HH2  ARG  41          HH21      ARG  41  -0.647  -2.140 -15.541
  340    HA   PRO  42           HA       PRO  42  -5.583   0.154  -6.806
  341   1HB   PRO  42          HB2       PRO  42  -6.493   2.147  -8.478
  342   2HB   PRO  42          HB3       PRO  42  -4.828   1.996  -7.922
  343   1HG   PRO  42          HG2       PRO  42  -6.054   1.204 -10.523
  344   2HG   PRO  42          HG3       PRO  42  -4.455   1.897 -10.198
  345   1HD   PRO  42          HD2       PRO  42  -4.827  -0.735 -10.718
  346   2HD   PRO  42          HD3       PRO  42  -3.546  -0.139  -9.638
  347    H    GLU  43           HN       GLU  43  -7.419  -0.822  -9.618
  348    HA   GLU  43           HA       GLU  43  -9.873   0.310  -8.750
  349   1HB   GLU  43          HB2       GLU  43  -9.142  -1.629 -10.925
  350   2HB   GLU  43          HB3       GLU  43 -10.791  -1.105 -10.640
  351   1HG   GLU  43          HG2       GLU  43 -10.138   1.211 -11.001
  352   2HG   GLU  43          HG3       GLU  43  -8.466   0.710 -11.230
  353    HA   PRO  44           HA       PRO  44 -10.961  -4.292  -7.492
  354   1HB   PRO  44          HB2       PRO  44  -8.740  -5.816  -6.940
  355   2HB   PRO  44          HB3       PRO  44  -9.654  -5.898  -8.447
  356   1HG   PRO  44          HG2       PRO  44  -7.122  -4.430  -7.839
  357   2HG   PRO  44          HG3       PRO  44  -7.567  -5.356  -9.287
  358   1HD   PRO  44          HD2       PRO  44  -7.672  -2.672  -9.262
  359   2HD   PRO  44          HD3       PRO  44  -8.863  -3.638 -10.131
  360    H    VAL  45           HN       VAL  45  -8.233  -2.417  -6.314
  361    HA   VAL  45           HA       VAL  45  -8.678  -3.296  -3.577
  362    HB   VAL  45           HB       VAL  45  -6.801  -1.193  -4.691
  363   1HG1  VAL  45          HG11      VAL  45  -5.756  -1.175  -2.479
  364   2HG1  VAL  45          HG12      VAL  45  -7.435  -0.637  -2.403
  365   3HG1  VAL  45          HG13      VAL  45  -7.006  -2.267  -1.881
  366   1HG2  VAL  45          HG21      VAL  45  -6.198  -3.459  -5.333
  367   2HG2  VAL  45          HG22      VAL  45  -5.049  -2.822  -4.157
  368   3HG2  VAL  45          HG23      VAL  45  -6.283  -3.974  -3.647
  369    H    LYS  46           HN       LYS  46  -9.405  -0.581  -5.660
  370    HA   LYS  46           HA       LYS  46 -10.533   1.088  -3.649
  371   1HB   LYS  46          HB2       LYS  46  -9.772   1.800  -5.957
  372   2HB   LYS  46          HB3       LYS  46 -11.223   1.040  -6.592
  373   1HG   LYS  46          HG2       LYS  46 -12.611   2.577  -5.325
  374   2HG   LYS  46          HG3       LYS  46 -11.168   3.313  -4.618
  375   1HD   LYS  46          HD2       LYS  46 -10.423   3.813  -6.978
  376   2HD   LYS  46          HD3       LYS  46 -12.042   3.342  -7.497
  377   1HE   LYS  46          HE2       LYS  46 -13.020   5.086  -6.149
  378   2HE   LYS  46          HE3       LYS  46 -11.439   5.510  -5.492
  379   1HZ   LYS  46          HZ1       LYS  46 -10.754   6.022  -7.817
  380   2HZ   LYS  46          HZ2       LYS  46 -11.948   7.053  -7.197
  381   3HZ   LYS  46          HZ3       LYS  46 -12.370   5.825  -8.293
  382    H    ALA  47           HN       ALA  47 -11.650  -1.567  -5.584
  383    HA   ALA  47           HA       ALA  47 -14.429  -1.255  -5.245
  384   1HB   ALA  47          HB1       ALA  47 -14.583  -3.593  -5.930
  385   2HB   ALA  47          HB2       ALA  47 -13.458  -2.701  -6.956
  386   3HB   ALA  47          HB3       ALA  47 -12.845  -3.779  -5.702
  387    H    ILE  48           HN       ILE  48 -11.947  -2.410  -3.142
  388    HA   ILE  48           HA       ILE  48 -13.482  -3.959  -1.365
  389    HB   ILE  48           HB       ILE  48 -11.082  -2.244  -0.664
  390   1HG1  ILE  48          HG12      ILE  48 -11.160  -5.142  -1.536
  391   2HG1  ILE  48          HG13      ILE  48 -10.707  -3.805  -2.591
  392   1HG2  ILE  48          HG21      ILE  48 -12.331  -3.073   1.275
  393   2HG2  ILE  48          HG22      ILE  48 -12.201  -4.720   0.655
  394   3HG2  ILE  48          HG23      ILE  48 -10.749  -3.843   1.146
  395   1HD1  ILE  48          HD11      ILE  48  -8.829  -3.300  -1.107
  396   2HD1  ILE  48          HD12      ILE  48  -9.285  -4.662  -0.082
  397   3HD1  ILE  48          HD13      ILE  48  -8.753  -4.944  -1.740
  398    H    CYS  49           HN       CYS  49 -13.111  -0.536  -1.836
  399    HA   CYS  49           HA       CYS  49 -14.621   0.031   0.611
  400   1HB   CYS  49          HB2       CYS  49 -12.964   1.801  -1.185
  401   2HB   CYS  49          HB3       CYS  49 -13.843   2.365   0.234
  402    H    LYS  50           HN       LYS  50 -15.433  -0.729  -2.362
  403    HA   LYS  50           HA       LYS  50 -17.020   1.380  -3.327
  404   1HB   LYS  50          HB2       LYS  50 -16.409  -0.582  -4.687
  405   2HB   LYS  50          HB3       LYS  50 -17.428  -1.596  -3.675
  406   1HG   LYS  50          HG2       LYS  50 -19.390  -0.301  -4.379
  407   2HG   LYS  50          HG3       LYS  50 -18.355   0.674  -5.422
  408   1HD   LYS  50          HD2       LYS  50 -19.438  -1.015  -6.748
  409   2HD   LYS  50          HD3       LYS  50 -17.719  -1.389  -6.639
  410   1HE   LYS  50          HE2       LYS  50 -18.179  -3.032  -4.890
  411   2HE   LYS  50          HE3       LYS  50 -19.898  -2.641  -4.972
  412   1HZ   LYS  50          HZ1       LYS  50 -19.349  -4.645  -6.229
  413   2HZ   LYS  50          HZ2       LYS  50 -18.288  -3.755  -7.207
  414   3HZ   LYS  50          HZ3       LYS  50 -19.951  -3.423  -7.242
  415    H    GLY  51           HN       GLY  51 -18.700   2.294  -2.425
  416   1HA   GLY  51          HA1       GLY  51 -20.928   2.280  -1.659
  417   2HA   GLY  51          HA2       GLY  51 -20.698   0.632  -1.092
  418    H    ILE  52           HN       ILE  52 -18.019   2.229  -0.083
  419    HA   ILE  52           HA       ILE  52 -19.245   2.706   2.550
  420    HB   ILE  52           HB       ILE  52 -16.287   2.488   2.046
  421   1HG1  ILE  52          HG12      ILE  52 -17.298   0.431   1.169
  422   2HG1  ILE  52          HG13      ILE  52 -16.418   0.111   2.656
  423   1HG2  ILE  52          HG21      ILE  52 -17.053   3.434   4.180
  424   2HG2  ILE  52          HG22      ILE  52 -17.968   1.960   4.492
  425   3HG2  ILE  52          HG23      ILE  52 -16.208   1.901   4.403
  426   1HD1  ILE  52          HD11      ILE  52 -19.400   0.378   2.386
  427   2HD1  ILE  52          HD12      ILE  52 -18.497  -1.122   2.596
  428   3HD1  ILE  52          HD13      ILE  52 -18.528   0.077   3.891
  429    H    ILE  53           HN       ILE  53 -19.954   4.826   2.281
  430    HA   ILE  53           HA       ILE  53 -18.147   6.849   1.316
  431    HB   ILE  53           HB       ILE  53 -20.975   6.938   2.349
  432   1HG1  ILE  53          HG12      ILE  53 -21.444   7.738   0.067
  433   2HG1  ILE  53          HG13      ILE  53 -19.742   7.611  -0.335
  434   1HG2  ILE  53          HG21      ILE  53 -21.008   9.340   1.846
  435   2HG2  ILE  53          HG22      ILE  53 -19.875   8.959   3.143
  436   3HG2  ILE  53          HG23      ILE  53 -19.275   9.289   1.519
  437   1HD1  ILE  53          HD11      ILE  53 -21.607   5.347   0.342
  438   2HD1  ILE  53          HD12      ILE  53 -20.977   5.760  -1.256
  439   3HD1  ILE  53          HD13      ILE  53 -19.881   5.184   0.003
  440    H    ALA  54           HN       ALA  54 -19.729   6.110   4.430
  441    HA   ALA  54           HA       ALA  54 -18.227   8.086   5.856
  442   1HB   ALA  54          HB1       ALA  54 -19.172   7.095   7.861
  443   2HB   ALA  54          HB2       ALA  54 -20.422   7.306   6.636
  444   3HB   ALA  54          HB3       ALA  54 -19.738   5.707   6.932
  445    H    SER  55           HN       SER  55 -16.350   7.895   6.947
  446    HA   SER  55           HA       SER  55 -14.414   6.072   6.231
  447   1HB   SER  55          HB2       SER  55 -13.221   6.862   8.316
  448   2HB   SER  55          HB3       SER  55 -13.782   8.144   7.241
  449    HG   SER  55           HG       SER  55 -15.420   7.239   9.349
  450    H    LYS  56           HN       LYS  56 -14.521   3.941   6.451
  451    HA   LYS  56           HA       LYS  56 -15.066   2.826   9.112
  452   1HB   LYS  56          HB2       LYS  56 -17.140   2.691   7.753
  453   2HB   LYS  56          HB3       LYS  56 -16.261   1.781   6.534
  454   1HG   LYS  56          HG2       LYS  56 -15.872  -0.008   8.159
  455   2HG   LYS  56          HG3       LYS  56 -16.785   0.903   9.365
  456   1HD   LYS  56          HD2       LYS  56 -18.770   0.804   7.933
  457   2HD   LYS  56          HD3       LYS  56 -17.855  -0.100   6.726
  458   1HE   LYS  56          HE2       LYS  56 -19.188  -1.629   8.027
  459   2HE   LYS  56          HE3       LYS  56 -17.483  -1.884   8.387
  460   1HZ   LYS  56          HZ1       LYS  56 -17.781  -0.535  10.400
  461   2HZ   LYS  56          HZ2       LYS  56 -18.766  -1.916  10.403
  462   3HZ   LYS  56          HZ3       LYS  56 -19.438  -0.399  10.063
  463    H    ASN  57           HN       ASN  57 -13.689   1.228   9.677
  464    HA   ASN  57           HA       ASN  57 -11.514   0.582   7.883
  465   1HB   ASN  57          HB2       ASN  57 -12.156  -0.254  10.718
  466   2HB   ASN  57          HB3       ASN  57 -10.749  -0.842   9.842
  467   1HD2  ASN  57          HD21      ASN  57 -10.921   0.715  12.288
  468   2HD2  ASN  57          HD22      ASN  57 -10.004   2.151  11.997
  469    H    VAL  58           HN       VAL  58 -11.711  -0.992   6.406
  470    HA   VAL  58           HA       VAL  58 -13.291  -3.355   7.172
  471    HB   VAL  58           HB       VAL  58 -13.968  -3.703   4.913
  472   1HG1  VAL  58          HG11      VAL  58 -14.330  -0.792   5.581
  473   2HG1  VAL  58          HG12      VAL  58 -15.329  -1.737   4.477
  474   3HG1  VAL  58          HG13      VAL  58 -15.306  -2.124   6.199
  475   1HG2  VAL  58          HG21      VAL  58 -13.353  -2.207   3.077
  476   2HG2  VAL  58          HG22      VAL  58 -12.261  -1.344   4.162
  477   3HG2  VAL  58          HG23      VAL  58 -11.951  -3.033   3.764
  478    H    LEU  59           HN       LEU  59 -12.369  -5.292   6.988
  479    HA   LEU  59           HA       LEU  59  -9.548  -5.356   6.200
  480   1HB   LEU  59          HB2       LEU  59 -10.101  -5.976   8.515
  481   2HB   LEU  59          HB3       LEU  59 -11.177  -7.222   7.937
  482    HG   LEU  59           HG       LEU  59  -8.789  -7.806   8.824
  483   1HD1  LEU  59          HD11      LEU  59 -10.380  -9.424   7.973
  484   2HD1  LEU  59          HD12      LEU  59  -9.903  -9.035   6.321
  485   3HD1  LEU  59          HD13      LEU  59  -8.745  -9.787   7.418
  486   1HD2  LEU  59          HD21      LEU  59  -7.540  -6.327   7.377
  487   2HD2  LEU  59          HD22      LEU  59  -7.132  -8.009   7.041
  488   3HD2  LEU  59          HD23      LEU  59  -8.206  -7.129   5.954
  489    H    THR  60           HN       THR  60  -8.849  -6.637   4.566
  490    HA   THR  60           HA       THR  60 -10.787  -7.600   2.704
  491    HB   THR  60           HB       THR  60  -8.840  -8.383   1.389
  492    HG1  THR  60           HG1      THR  60  -7.214  -8.935   2.659
  493   1HG2  THR  60          HG21      THR  60  -8.554  -5.600   2.521
  494   2HG2  THR  60          HG22      THR  60  -9.561  -6.073   1.151
  495   3HG2  THR  60          HG23      THR  60  -7.804  -6.178   1.034
  496    H    THR  61           HN       THR  61 -11.493  -9.610   2.342
  497    HA   THR  61           HA       THR  61 -11.404 -11.432   4.484
  498    HB   THR  61           HB       THR  61 -12.668 -12.909   2.865
  499    HG1  THR  61           HG1      THR  61 -13.066 -12.148   0.857
  500   1HG2  THR  61          HG21      THR  61 -13.804 -11.407   4.419
  501   2HG2  THR  61          HG22      THR  61 -14.654 -11.445   2.873
  502   3HG2  THR  61          HG23      THR  61 -13.621 -10.072   3.281
  503    H    SER  62           HN       SER  62  -9.449 -11.112   1.674
  504    HA   SER  62           HA       SER  62  -8.195 -13.711   2.227
  505   1HB   SER  62          HB2       SER  62  -8.625 -12.459  -0.495
  506   2HB   SER  62          HB3       SER  62  -7.799 -13.984  -0.177
  507    HG   SER  62           HG       SER  62 -10.023 -14.353   0.988
  508    H    GLU  63           HN       GLU  63  -5.921 -13.850   1.462
  509    HA   GLU  63           HA       GLU  63  -4.481 -11.476   2.192
  510   1HB   GLU  63          HB2       GLU  63  -3.388 -14.087   1.125
  511   2HB   GLU  63          HB3       GLU  63  -2.457 -12.795   1.846
  512   1HG   GLU  63          HG2       GLU  63  -2.696 -14.552   3.432
  513   2HG   GLU  63          HG3       GLU  63  -3.629 -13.163   3.975
  514    H    PHE  64           HN       PHE  64  -3.315 -10.147   0.917
  515    HA   PHE  64           HA       PHE  64  -3.461 -10.602  -1.984
  516   1HB   PHE  64          HB2       PHE  64  -3.322  -8.060  -0.375
  517   2HB   PHE  64          HB3       PHE  64  -2.921  -8.095  -2.085
  518    HD1  PHE  64           HD1      PHE  64  -4.577  -7.913  -3.691
  519    HD2  PHE  64           HD2      PHE  64  -5.650  -8.884   0.311
  520    HE1  PHE  64           HE1      PHE  64  -6.952  -7.645  -4.270
  521    HE2  PHE  64           HE2      PHE  64  -8.030  -8.622  -0.262
  522    HZ   PHE  64           HZ       PHE  64  -8.683  -8.000  -2.554
  523    H    TYR  65           HN       TYR  65  -1.539  -9.597  -3.155
  524    HA   TYR  65           HA       TYR  65   0.808 -10.811  -1.954
  525   1HB   TYR  65          HB2       TYR  65   0.531  -9.509  -4.671
  526   2HB   TYR  65          HB3       TYR  65   1.817 -10.592  -4.144
  527    HD1  TYR  65           HD1      TYR  65  -1.258 -10.380  -5.860
  528    HD2  TYR  65           HD2      TYR  65   1.023 -12.983  -3.384
  529    HE1  TYR  65           HE1      TYR  65  -2.561 -12.293  -6.686
  530    HE2  TYR  65           HE2      TYR  65  -0.271 -14.907  -4.206
  531    HH   TYR  65           HH       TYR  65  -2.270 -14.758  -6.918
  532    H    LEU  66           HN       LEU  66   1.758  -9.527  -0.475
  533    HA   LEU  66           HA       LEU  66   1.846  -6.642  -0.997
  534   1HB   LEU  66          HB2       LEU  66   2.336  -8.120   1.584
  535   2HB   LEU  66          HB3       LEU  66   2.207  -6.382   1.385
  536    HG   LEU  66           HG       LEU  66  -0.016  -8.370   0.940
  537   1HD1  LEU  66          HD11      LEU  66  -1.010  -7.353   2.934
  538   2HD1  LEU  66          HD12      LEU  66   0.539  -8.119   3.290
  539   3HD1  LEU  66          HD13      LEU  66   0.436  -6.365   3.141
  540   1HD2  LEU  66          HD21      LEU  66  -1.447  -6.389   0.726
  541   2HD2  LEU  66          HD22      LEU  66  -0.016  -5.360   0.812
  542   3HD2  LEU  66          HD23      LEU  66  -0.227  -6.465  -0.546
  543    H    SER  67           HN       SER  67   3.737  -5.476  -0.827
  544    HA   SER  67           HA       SER  67   6.224  -7.018  -0.523
  545   1HB   SER  67          HB2       SER  67   5.750  -4.768  -2.503
  546   2HB   SER  67          HB3       SER  67   7.247  -5.677  -2.294
  547    HG   SER  67           HG       SER  67   6.458  -7.039  -3.671
  548    H    ASP  68           HN       ASP  68   7.126  -6.336   1.293
  549    HA   ASP  68           HA       ASP  68   6.627  -3.624   2.240
  550   1HB   ASP  68          HB2       ASP  68   7.802  -6.068   3.540
  551   2HB   ASP  68          HB3       ASP  68   7.964  -4.476   4.271
  552    H    CYS  69           HN       CYS  69   7.988  -2.055   1.910
  553    HA   CYS  69           HA       CYS  69  10.769  -2.649   1.225
  554   1HB   CYS  69          HB2       CYS  69   9.121  -0.120   1.105
  555   2HB   CYS  69          HB3       CYS  69  10.838  -0.188   0.713
  556    H    ASN  70           HN       ASN  70  12.260  -2.579   2.780
  557    HA   ASN  70           HA       ASN  70  11.736  -0.893   5.152
  558   1HB   ASN  70          HB2       ASN  70  12.955  -3.671   5.209
  559   2HB   ASN  70          HB3       ASN  70  12.660  -2.630   6.594
  560   1HD2  ASN  70          HD21      ASN  70  11.246  -4.742   4.244
  561   2HD2  ASN  70          HD22      ASN  70   9.703  -4.888   5.004
  562    H    VAL  71           HN       VAL  71  13.399   0.267   5.851
  563    HA   VAL  71           HA       VAL  71  15.723   0.577   4.291
  564    HB   VAL  71           HB       VAL  71  14.705   2.340   5.710
  565   1HG1  VAL  71          HG11      VAL  71  15.262   2.416   8.106
  566   2HG1  VAL  71          HG12      VAL  71  14.194   1.076   7.687
  567   3HG1  VAL  71          HG13      VAL  71  15.906   0.779   7.982
  568   1HG2  VAL  71          HG21      VAL  71  16.817   3.334   6.470
  569   2HG2  VAL  71          HG22      VAL  71  17.614   1.773   6.271
  570   3HG2  VAL  71          HG23      VAL  71  16.967   2.617   4.865
  571    H    THR  72           HN       THR  72  17.893   0.018   4.743
  572    HA   THR  72           HA       THR  72  18.119  -2.310   6.529
  573    HB   THR  72           HB       THR  72  20.019  -3.012   4.990
  574    HG1  THR  72           HG1      THR  72  18.749  -1.120   3.263
  575   1HG2  THR  72          HG21      THR  72  17.230  -2.901   3.831
  576   2HG2  THR  72          HG22      THR  72  17.819  -4.099   4.984
  577   3HG2  THR  72          HG23      THR  72  18.505  -4.028   3.360
  578    H    SER  73           HN       SER  73  20.959  -1.165   4.989
  579    HA   SER  73           HA       SER  73  22.076  -0.629   7.629
  580   1HB   SER  73          HB2       SER  73  24.265  -0.758   6.347
  581   2HB   SER  73          HB3       SER  73  23.301  -2.236   6.366
  582    HG   SER  73           HG       SER  73  23.467  -2.127   4.270
  583    H    ARG  74           HN       ARG  74  21.517   0.936   4.551
  584    HA   ARG  74           HA       ARG  74  22.627   3.425   5.652
  585   1HB   ARG  74          HB2       ARG  74  22.282   2.482   2.813
  586   2HB   ARG  74          HB3       ARG  74  22.562   4.173   3.206
  587   1HG   ARG  74          HG2       ARG  74  24.685   3.634   4.206
  588   2HG   ARG  74          HG3       ARG  74  24.394   1.913   3.956
  589   1HD   ARG  74          HD2       ARG  74  24.450   2.194   1.569
  590   2HD   ARG  74          HD3       ARG  74  24.550   3.947   1.739
  591    HE   ARG  74           HE       ARG  74  26.742   3.385   2.970
  592   1HH1  ARG  74          HH12      ARG  74  25.470   1.603   0.222
  593   2HH1  ARG  74          HH11      ARG  74  27.041   1.094  -0.324
  594   1HH2  ARG  74          HH22      ARG  74  28.781   2.728   2.235
  595   2HH2  ARG  74          HH21      ARG  74  28.922   1.737   0.815
  596    HA   PRO  75           HA       PRO  75  18.539   5.142   5.877
  597   1HB   PRO  75          HB2       PRO  75  19.862   7.661   5.043
  598   2HB   PRO  75          HB3       PRO  75  18.873   7.326   6.467
  599   1HG   PRO  75          HG2       PRO  75  21.528   7.618   6.651
  600   2HG   PRO  75          HG3       PRO  75  20.645   6.463   7.666
  601   1HD   PRO  75          HD2       PRO  75  22.338   5.969   5.255
  602   2HD   PRO  75          HD3       PRO  75  22.144   4.987   6.721
  603    H    CYS  76           HN       CYS  76  17.011   5.132   4.401
  604    HA   CYS  76           HA       CYS  76  15.870   5.288   2.466
  605   1HB   CYS  76          HB2       CYS  76  16.926   7.594   2.403
  606   2HB   CYS  76          HB3       CYS  76  18.132   6.919   1.319
  607    H    LYS  77           HN       LYS  77  18.422   3.476   2.925
  608    HA   LYS  77           HA       LYS  77  18.398   2.335   0.206
  609   1HB   LYS  77          HB2       LYS  77  20.352   2.271   2.442
  610   2HB   LYS  77          HB3       LYS  77  20.183   0.785   1.522
  611   1HG   LYS  77          HG2       LYS  77  22.017   2.179   0.706
  612   2HG   LYS  77          HG3       LYS  77  20.771   1.943  -0.519
  613   1HD   LYS  77          HD2       LYS  77  20.401   4.318   1.150
  614   2HD   LYS  77          HD3       LYS  77  21.862   4.348   0.160
  615   1HE   LYS  77          HE2       LYS  77  19.037   3.903  -0.800
  616   2HE   LYS  77          HE3       LYS  77  19.990   5.369  -1.015
  617   1HZ   LYS  77          HZ1       LYS  77  20.820   2.733  -2.090
  618   2HZ   LYS  77          HZ2       LYS  77  21.444   4.256  -2.493
  619   3HZ   LYS  77          HZ3       LYS  77  19.876   3.825  -2.969
  620    H    TYR  78           HN       TYR  78  17.131   0.619  -0.139
  621    HA   TYR  78           HA       TYR  78  16.059  -0.760   2.247
  622   1HB   TYR  78          HB2       TYR  78  14.413  -0.211  -0.211
  623   2HB   TYR  78          HB3       TYR  78  13.863  -0.706   1.385
  624    HD1  TYR  78           HD1      TYR  78  13.843   0.911   3.235
  625    HD2  TYR  78           HD2      TYR  78  14.760   2.089  -0.745
  626    HE1  TYR  78           HE1      TYR  78  13.435   3.253   3.843
  627    HE2  TYR  78           HE2      TYR  78  14.350   4.438  -0.149
  628    HH   TYR  78           HH       TYR  78  13.935   5.436   3.129
  629    H    LYS  79           HN       LYS  79  15.185  -2.848   1.907
  630    HA   LYS  79           HA       LYS  79  15.814  -4.119  -0.660
  631   1HB   LYS  79          HB2       LYS  79  16.150  -5.186   2.128
  632   2HB   LYS  79          HB3       LYS  79  15.925  -6.273   0.769
  633   1HG   LYS  79          HG2       LYS  79  17.896  -5.192  -0.308
  634   2HG   LYS  79          HG3       LYS  79  18.147  -4.307   1.196
  635   1HD   LYS  79          HD2       LYS  79  18.498  -6.336   2.410
  636   2HD   LYS  79          HD3       LYS  79  18.038  -7.310   1.011
  637   1HE   LYS  79          HE2       LYS  79  20.434  -5.489   1.189
  638   2HE   LYS  79          HE3       LYS  79  20.464  -7.247   1.305
  639   1HZ   LYS  79          HZ1       LYS  79  19.569  -5.693  -1.067
  640   2HZ   LYS  79          HZ2       LYS  79  19.620  -7.385  -0.952
  641   3HZ   LYS  79          HZ3       LYS  79  21.060  -6.484  -0.912
  642    H    LEU  80           HN       LEU  80  14.308  -5.865  -1.222
  643    HA   LEU  80           HA       LEU  80  11.631  -4.974  -0.497
  644   1HB   LEU  80          HB2       LEU  80  12.508  -5.185  -2.890
  645   2HB   LEU  80          HB3       LEU  80  12.359  -6.915  -2.676
  646    HG   LEU  80           HG       LEU  80  10.455  -5.598  -3.847
  647   1HD1  LEU  80          HD11      LEU  80  10.324  -7.961  -3.309
  648   2HD1  LEU  80          HD12      LEU  80   9.851  -7.566  -1.655
  649   3HD1  LEU  80          HD13      LEU  80   8.786  -7.156  -2.998
  650   1HD2  LEU  80          HD21      LEU  80   8.721  -4.799  -2.339
  651   2HD2  LEU  80          HD22      LEU  80   9.772  -5.114  -0.958
  652   3HD2  LEU  80          HD23      LEU  80  10.214  -3.882  -2.140
  653    H    LYS  81           HN       LYS  81  10.000  -6.340   0.136
  654    HA   LYS  81           HA       LYS  81  10.782  -9.017   1.085
  655   1HB   LYS  81          HB2       LYS  81  10.795  -7.654   3.043
  656   2HB   LYS  81          HB3       LYS  81   9.322  -6.826   2.563
  657   1HG   LYS  81          HG2       LYS  81   8.185  -9.106   2.788
  658   2HG   LYS  81          HG3       LYS  81   9.644  -9.593   3.658
  659   1HD   LYS  81          HD2       LYS  81   9.307  -7.973   5.336
  660   2HD   LYS  81          HD3       LYS  81   8.092  -7.125   4.380
  661   1HE   LYS  81          HE2       LYS  81   6.766  -9.325   4.528
  662   2HE   LYS  81          HE3       LYS  81   7.858  -9.720   5.855
  663   1HZ   LYS  81          HZ1       LYS  81   6.088  -7.340   5.679
  664   2HZ   LYS  81          HZ2       LYS  81   7.197  -7.632   6.931
  665   3HZ   LYS  81          HZ3       LYS  81   5.879  -8.679   6.703
  666    H    LYS  82           HN       LYS  82   9.570 -10.422  -0.055
  667    HA   LYS  82           HA       LYS  82   6.921  -9.614  -0.974
  668   1HB   LYS  82          HB2       LYS  82   8.492 -12.121  -1.589
  669   2HB   LYS  82          HB3       LYS  82   7.049 -11.556  -2.422
  670   1HG   LYS  82          HG2       LYS  82   8.246  -9.614  -3.232
  671   2HG   LYS  82          HG3       LYS  82   9.689 -10.113  -2.352
  672   1HD   LYS  82          HD2       LYS  82   9.823 -12.133  -3.704
  673   2HD   LYS  82          HD3       LYS  82   8.358 -11.661  -4.560
  674   1HE   LYS  82          HE2       LYS  82  10.242 -11.074  -5.918
  675   2HE   LYS  82          HE3       LYS  82   9.525  -9.590  -5.296
  676   1HZ   LYS  82          HZ1       LYS  82  11.795  -9.292  -4.992
  677   2HZ   LYS  82          HZ2       LYS  82  12.049 -10.894  -4.505
  678   3HZ   LYS  82          HZ3       LYS  82  11.280  -9.809  -3.457
  679    H    SER  83           HN       SER  83   5.232 -10.049   0.265
  680    HA   SER  83           HA       SER  83   5.066 -12.672   1.559
  681   1HB   SER  83          HB2       SER  83   4.501 -10.027   2.919
  682   2HB   SER  83          HB3       SER  83   4.110 -11.608   3.595
  683    HG   SER  83           HG       SER  83   6.057 -11.536   4.363
  684    H    THR  84           HN       THR  84   2.798 -13.127   2.305
  685    HA   THR  84           HA       THR  84   0.812 -11.745   0.616
  686    HB   THR  84           HB       THR  84   0.708 -14.720   1.129
  687    HG1  THR  84           HG1      THR  84   2.638 -14.237  -0.041
  688   1HG2  THR  84          HG21      THR  84  -0.755 -14.695  -0.847
  689   2HG2  THR  84          HG22      THR  84  -0.553 -12.949  -0.973
  690   3HG2  THR  84          HG23      THR  84  -1.376 -13.642   0.424
  691    H    ASN  85           HN       ASN  85  -0.627 -10.806   1.918
  692    HA   ASN  85           HA       ASN  85  -1.764 -12.212   4.171
  693   1HB   ASN  85          HB2       ASN  85   0.423 -10.913   4.901
  694   2HB   ASN  85          HB3       ASN  85  -0.653  -9.537   4.812
  695   1HD2  ASN  85          HD21      ASN  85   0.652 -10.560   7.129
  696   2HD2  ASN  85          HD22      ASN  85  -0.585 -11.010   8.252
  697    H    LYS  86           HN       LYS  86  -3.653 -11.080   5.032
  698    HA   LYS  86           HA       LYS  86  -5.057  -9.529   3.088
  699   1HB   LYS  86          HB2       LYS  86  -5.839  -9.554   5.980
  700   2HB   LYS  86          HB3       LYS  86  -6.864  -9.581   4.556
  701   1HG   LYS  86          HG2       LYS  86  -6.177 -11.937   4.166
  702   2HG   LYS  86          HG3       LYS  86  -5.283 -11.881   5.689
  703   1HD   LYS  86          HD2       LYS  86  -7.453 -11.157   6.770
  704   2HD   LYS  86          HD3       LYS  86  -8.235 -11.583   5.258
  705   1HE   LYS  86          HE2       LYS  86  -6.520 -13.535   6.745
  706   2HE   LYS  86          HE3       LYS  86  -8.226 -13.324   7.134
  707   1HZ   LYS  86          HZ1       LYS  86  -8.023 -15.120   5.622
  708   2HZ   LYS  86          HZ2       LYS  86  -7.060 -14.227   4.559
  709   3HZ   LYS  86          HZ3       LYS  86  -8.699 -13.831   4.755
  710    H    PHE  87           HN       PHE  87  -6.046  -7.324   3.881
  711    HA   PHE  87           HA       PHE  87  -4.436  -5.950   5.840
  712   1HB   PHE  87          HB2       PHE  87  -3.882  -4.040   4.351
  713   2HB   PHE  87          HB3       PHE  87  -3.046  -5.530   3.933
  714    HD1  PHE  87           HD1      PHE  87  -3.371  -6.570   1.810
  715    HD2  PHE  87           HD2      PHE  87  -5.726  -3.213   2.946
  716    HE1  PHE  87           HE1      PHE  87  -4.190  -6.367  -0.502
  717    HE2  PHE  87           HE2      PHE  87  -6.547  -3.005   0.638
  718    HZ   PHE  87           HZ       PHE  87  -5.696  -4.560  -1.119
  719    H    CYS  88           HN       CYS  88  -5.395  -4.117   6.686
  720    HA   CYS  88           HA       CYS  88  -8.252  -3.921   6.034
  721   1HB   CYS  88          HB2       CYS  88  -7.407  -4.507   8.398
  722   2HB   CYS  88          HB3       CYS  88  -6.899  -2.827   8.498
  723    H    VAL  89           HN       VAL  89  -8.969  -2.152   5.052
  724    HA   VAL  89           HA       VAL  89  -7.230   0.226   5.046
  725    HB   VAL  89           HB       VAL  89  -8.365   0.821   2.868
  726   1HG1  VAL  89          HG11      VAL  89  -6.102  -0.049   2.918
  727   2HG1  VAL  89          HG12      VAL  89  -6.715  -1.702   2.942
  728   3HG1  VAL  89          HG13      VAL  89  -6.968  -0.688   1.521
  729   1HG2  VAL  89          HG21      VAL  89 -10.311  -0.648   3.048
  730   2HG2  VAL  89          HG22      VAL  89  -9.399  -0.999   1.579
  731   3HG2  VAL  89          HG23      VAL  89  -9.261  -2.062   2.980
  732    H    THR  90           HN       THR  90  -8.125   2.194   5.493
  733    HA   THR  90           HA       THR  90 -10.776   2.186   6.646
  734    HB   THR  90           HB       THR  90  -8.988   4.574   6.209
  735    HG1  THR  90           HG1      THR  90  -9.091   2.809   8.456
  736   1HG2  THR  90          HG21      THR  90 -10.221   5.494   8.127
  737   2HG2  THR  90          HG22      THR  90 -11.204   4.031   8.186
  738   3HG2  THR  90          HG23      THR  90 -11.297   5.101   6.787
  739    H    CYS  91           HN       CYS  91 -12.401   2.194   5.206
  740    HA   CYS  91           HA       CYS  91 -12.072   3.479   2.628
  741   1HB   CYS  91          HB2       CYS  91 -14.384   1.942   3.816
  742   2HB   CYS  91          HB3       CYS  91 -14.260   2.467   2.136
  743    H    GLU  92           HN       GLU  92 -12.731   5.425   2.114
  744    HA   GLU  92           HA       GLU  92 -15.040   6.602   3.440
  745   1HB   GLU  92          HB2       GLU  92 -13.060   7.346   4.725
  746   2HB   GLU  92          HB3       GLU  92 -12.392   8.024   3.258
  747   1HG   GLU  92          HG2       GLU  92 -14.278   9.546   3.125
  748   2HG   GLU  92          HG3       GLU  92 -14.934   8.870   4.607
  749    H    ASN  93           HN       ASN  93 -16.276   7.700   2.038
  750    HA   ASN  93           HA       ASN  93 -17.125   8.370   0.043
  751   1HB   ASN  93          HB2       ASN  93 -14.291   9.342  -0.344
  752   2HB   ASN  93          HB3       ASN  93 -15.606   9.700  -1.458
  753   1HD2  ASN  93          HD21      ASN  93 -14.115  10.458   1.513
  754   2HD2  ASN  93          HD22      ASN  93 -15.166  11.757   1.970
  755    H    GLN  94           HN       GLN  94 -16.153   5.700   0.292
  756    HA   GLN  94           HA       GLN  94 -16.162   3.839  -0.977
  757   1HB   GLN  94          HB2       GLN  94 -16.580   5.744  -3.276
  758   2HB   GLN  94          HB3       GLN  94 -16.664   3.992  -3.397
  759   1HG   GLN  94          HG2       GLN  94 -18.498   4.022  -1.732
  760   2HG   GLN  94          HG3       GLN  94 -18.458   5.783  -1.787
  761   1HE2  GLN  94          HE21      GLN  94 -17.857   3.825  -4.592
  762   2HE2  GLN  94          HE22      GLN  94 -19.332   4.203  -5.412
  763    H    ALA  95           HN       ALA  95 -13.717   5.670  -0.611
  764    HA   ALA  95           HA       ALA  95 -12.016   4.043  -2.363
  765   1HB   ALA  95          HB1       ALA  95 -10.590   5.957  -2.848
  766   2HB   ALA  95          HB2       ALA  95 -12.240   6.253  -3.396
  767   3HB   ALA  95          HB3       ALA  95 -11.657   7.005  -1.912
  768    HA   PRO  96           HA       PRO  96  -9.719   3.310   1.418
  769   1HB   PRO  96          HB2       PRO  96  -7.502   2.784  -0.460
  770   2HB   PRO  96          HB3       PRO  96  -8.193   1.738   0.781
  771   1HG   PRO  96          HG2       PRO  96  -8.612   1.325  -1.851
  772   2HG   PRO  96          HG3       PRO  96  -9.820   0.927  -0.622
  773   1HD   PRO  96          HD2       PRO  96  -9.743   3.197  -2.531
  774   2HD   PRO  96          HD3       PRO  96 -11.135   2.327  -1.869
  775    H    VAL  97           HN       VAL  97  -9.309   5.246   2.364
  776    HA   VAL  97           HA       VAL  97  -7.390   7.033   1.045
  777    HB   VAL  97           HB       VAL  97  -8.254   8.789   2.620
  778   1HG1  VAL  97          HG11      VAL  97 -10.304   9.181   1.346
  779   2HG1  VAL  97          HG12      VAL  97  -8.995   8.642   0.294
  780   3HG1  VAL  97          HG13      VAL  97 -10.266   7.514   0.766
  781   1HG2  VAL  97          HG21      VAL  97 -10.402   6.742   3.143
  782   2HG2  VAL  97          HG22      VAL  97  -9.176   7.250   4.304
  783   3HG2  VAL  97          HG23      VAL  97 -10.383   8.405   3.727
  784    H    HIS  98           HN       HIS  98  -8.143   5.541   4.162
  785    HA   HIS  98           HA       HIS  98  -5.424   6.234   5.059
  786   1HB   HIS  98          HB2       HIS  98  -7.871   5.504   6.688
  787   2HB   HIS  98          HB3       HIS  98  -6.266   5.697   7.359
  788    HD1  HIS  98           HD1      HIS  98  -5.471   8.055   7.857
  789    HD2  HIS  98           HD2      HIS  98  -9.123   7.932   5.870
  790    HE1  HIS  98           HE1      HIS  98  -6.397  10.393   7.982
  791    HE2  HIS  98           HE2      HIS  98  -8.687  10.239   6.945
  792    H    PHE  99           HN       PHE  99  -4.068   4.592   5.776
  793    HA   PHE  99           HA       PHE  99  -5.002   1.878   5.128
  794   1HB   PHE  99          HB2       PHE  99  -3.066   2.722   3.810
  795   2HB   PHE  99          HB3       PHE  99  -2.154   2.885   5.306
  796    HD1  PHE  99           HD1      PHE  99  -0.912   1.101   6.118
  797    HD2  PHE  99           HD2      PHE  99  -3.943   0.381   3.219
  798    HE1  PHE  99           HE1      PHE  99  -0.159  -1.230   5.921
  799    HE2  PHE  99           HE2      PHE  99  -3.197  -1.957   3.020
  800    HZ   PHE  99           HZ       PHE  99  -1.319  -2.768   4.351
  801    H    VAL 100           HN       VAL 100  -5.382   0.575   6.785
  802    HA   VAL 100           HA       VAL 100  -4.692   1.409   9.454
  803    HB   VAL 100           HB       VAL 100  -6.086  -1.106   8.519
  804   1HG1  VAL 100          HG11      VAL 100  -5.868   0.123  11.263
  805   2HG1  VAL 100          HG12      VAL 100  -6.905  -1.239  10.833
  806   3HG1  VAL 100          HG13      VAL 100  -5.153  -1.398  10.723
  807   1HG2  VAL 100          HG21      VAL 100  -7.219   1.517   9.494
  808   2HG2  VAL 100          HG22      VAL 100  -7.341   0.863   7.860
  809   3HG2  VAL 100          HG23      VAL 100  -8.156   0.053   9.197
  810    H    GLY 101           HN       GLY 101  -4.377  -1.829   8.016
  811   1HA   GLY 101          HA1       GLY 101  -1.575  -1.977   8.120
  812   2HA   GLY 101          HA2       GLY 101  -2.219  -2.623   9.625
  813    H    VAL 102           HN       VAL 102  -0.848  -4.381   8.237
  814    HA   VAL 102           HA       VAL 102  -2.671  -5.752   6.425
  815    HB   VAL 102           HB       VAL 102  -0.930  -6.977   5.596
  816   1HG1  VAL 102          HG11      VAL 102   0.969  -5.487   5.221
  817   2HG1  VAL 102          HG12      VAL 102  -0.575  -4.650   5.074
  818   3HG1  VAL 102          HG13      VAL 102   0.400  -4.449   6.528
  819   1HG2  VAL 102          HG21      VAL 102  -0.166  -8.026   7.621
  820   2HG2  VAL 102          HG22      VAL 102   1.216  -7.397   6.728
  821   3HG2  VAL 102          HG23      VAL 102   0.613  -6.529   8.142
  822    H    GLY 103           HN       GLY 103  -3.113  -7.991   6.653
  823   1HA   GLY 103          HA1       GLY 103  -3.357  -9.962   7.936
  824   2HA   GLY 103          HA2       GLY 103  -2.887  -9.064   9.372
  825    H    SER 104           HN       SER 104  -4.436  -7.296   9.982
  826    HA   SER 104           HA       SER 104  -7.176  -7.500   9.236
  827   1HB   SER 104          HB2       SER 104  -7.837  -8.220  11.616
  828   2HB   SER 104          HB3       SER 104  -7.238  -9.469  10.529
  829    HG   SER 104           HG       SER 104  -6.354  -9.162  12.851
  830    H    CYS 105           HN       CYS 105  -8.524  -6.174  10.901
  831    HA   CYS 105           HA       CYS 105  -7.012  -3.789  11.615
  832   1HB   CYS 105          HB2       CYS 105  -9.835  -4.399  11.092
  833   2HB   CYS 105          HB3       CYS 105  -9.573  -3.344  12.474
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1  -5.508  16.014  -0.500
    2   2H    MET   1           H2       MET   1  -5.027  14.795  -1.572
    3   3H    MET   1           H3       MET   1  -4.249  16.304  -1.600
    4    HA   MET   1           HA       MET   1  -2.910  14.599  -0.514
    5   1HB   MET   1          HB2       MET   1  -2.373  15.864   1.499
    6   2HB   MET   1          HB3       MET   1  -2.666  16.958   0.157
    7   1HG   MET   1          HG2       MET   1  -4.893  17.435   1.013
    8   2HG   MET   1          HG3       MET   1  -4.629  16.310   2.345
    9   1HE   MET   1          HE1       MET   1  -3.555  19.775   0.758
   10   2HE   MET   1          HE2       MET   1  -2.194  20.196   1.795
   11   3HE   MET   1          HE3       MET   1  -2.086  18.799   0.722
   12    H    GLN   2           HN       GLN   2  -2.719  12.973   0.979
   13    HA   GLN   2           HA       GLN   2  -3.500  11.105   2.023
   14   1HB   GLN   2          HB2       GLN   2  -4.973  13.225   3.583
   15   2HB   GLN   2          HB3       GLN   2  -4.878  11.534   4.047
   16   1HG   GLN   2          HG2       GLN   2  -2.573  13.451   3.793
   17   2HG   GLN   2          HG3       GLN   2  -3.273  12.841   5.292
   18   1HE2  GLN   2          HE21      GLN   2  -1.197  12.174   2.617
   19   2HE2  GLN   2          HE22      GLN   2  -0.583  10.662   3.202
   20    H    ASP   3           HN       ASP   3  -4.616  10.967  -0.165
   21    HA   ASP   3           HA       ASP   3  -7.455  10.408   0.242
   22   1HB   ASP   3          HB2       ASP   3  -7.892  11.408  -2.061
   23   2HB   ASP   3          HB3       ASP   3  -7.581  12.560  -0.767
   24    H    TRP   4           HN       TRP   4  -8.122   9.575  -2.277
   25    HA   TRP   4           HA       TRP   4  -6.940   7.008  -2.384
   26   1HB   TRP   4          HB2       TRP   4  -9.207   7.268  -3.109
   27   2HB   TRP   4          HB3       TRP   4  -8.755   8.489  -4.292
   28    HD1  TRP   4           HD1      TRP   4  -8.711   7.615  -6.668
   29    HE1  TRP   4           HE1      TRP   4  -8.366   5.338  -7.811
   30    HE3  TRP   4           HE3      TRP   4  -7.735   4.775  -2.535
   31    HZ2  TRP   4           HZ2      TRP   4  -7.762   2.689  -7.060
   32    HZ3  TRP   4           HZ3      TRP   4  -7.278   2.371  -2.835
   33    HH2  TRP   4           HH2      TRP   4  -7.284   1.356  -5.055
   34    H    LEU   5           HN       LEU   5  -6.428   9.961  -4.233
   35    HA   LEU   5           HA       LEU   5  -4.760   8.848  -6.214
   36   1HB   LEU   5          HB2       LEU   5  -4.832  11.657  -5.104
   37   2HB   LEU   5          HB3       LEU   5  -3.948  11.178  -6.537
   38    HG   LEU   5           HG       LEU   5  -5.903  12.198  -7.326
   39   1HD1  LEU   5          HD11      LEU   5  -7.136  10.405  -8.444
   40   2HD1  LEU   5          HD12      LEU   5  -5.392  10.145  -8.499
   41   3HD1  LEU   5          HD13      LEU   5  -6.386   9.228  -7.366
   42   1HD2  LEU   5          HD21      LEU   5  -8.166  11.597  -6.589
   43   2HD2  LEU   5          HD22      LEU   5  -7.470  10.527  -5.373
   44   3HD2  LEU   5          HD23      LEU   5  -7.189  12.267  -5.282
   45    H    THR   6           HN       THR   6  -4.139  10.303  -3.070
   46    HA   THR   6           HA       THR   6  -1.318  10.055  -3.107
   47    HB   THR   6           HB       THR   6  -3.088   9.986  -0.653
   48    HG1  THR   6           HG1      THR   6  -3.515  11.782  -2.196
   49   1HG2  THR   6          HG21      THR   6  -0.715   9.536  -0.250
   50   2HG2  THR   6          HG22      THR   6  -1.186  11.097   0.422
   51   3HG2  THR   6          HG23      THR   6  -0.287  11.023  -1.093
   52    H    PHE   7           HN       PHE   7  -3.918   7.976  -1.911
   53    HA   PHE   7           HA       PHE   7  -2.372   5.995  -0.682
   54   1HB   PHE   7          HB2       PHE   7  -4.861   6.297  -0.491
   55   2HB   PHE   7          HB3       PHE   7  -5.018   5.608  -2.102
   56    HD1  PHE   7           HD1      PHE   7  -4.511   4.921   1.419
   57    HD2  PHE   7           HD2      PHE   7  -4.429   3.249  -2.495
   58    HE1  PHE   7           HE1      PHE   7  -4.579   2.660   2.389
   59    HE2  PHE   7           HE2      PHE   7  -4.509   0.986  -1.533
   60    HZ   PHE   7           HZ       PHE   7  -4.600   0.702   0.945
   61    H    GLN   8           HN       GLN   8  -3.582   6.258  -3.998
   62    HA   GLN   8           HA       GLN   8  -2.755   3.822  -5.010
   63   1HB   GLN   8          HB2       GLN   8  -3.297   6.504  -6.136
   64   2HB   GLN   8          HB3       GLN   8  -2.411   5.373  -7.143
   65   1HG   GLN   8          HG2       GLN   8  -4.212   3.767  -6.984
   66   2HG   GLN   8          HG3       GLN   8  -5.082   4.828  -5.875
   67   1HE2  GLN   8          HE21      GLN   8  -4.434   7.247  -7.280
   68   2HE2  GLN   8          HE22      GLN   8  -5.376   7.251  -8.725
   69    H    LYS   9           HN       LYS   9  -0.990   6.914  -5.245
   70    HA   LYS   9           HA       LYS   9   1.258   5.930  -6.564
   71   1HB   LYS   9          HB2       LYS   9   1.145   8.213  -4.585
   72   2HB   LYS   9          HB3       LYS   9   2.362   7.976  -5.832
   73   1HG   LYS   9          HG2       LYS   9   0.836   8.455  -7.559
   74   2HG   LYS   9          HG3       LYS   9  -0.550   8.318  -6.472
   75   1HD   LYS   9          HD2       LYS   9   0.249  10.284  -5.238
   76   2HD   LYS   9          HD3       LYS   9   1.595  10.436  -6.371
   77   1HE   LYS   9          HE2       LYS   9   0.043  10.814  -8.199
   78   2HE   LYS   9          HE3       LYS   9  -1.327  10.573  -7.116
   79   1HZ   LYS   9          HZ1       LYS   9  -0.597  12.520  -5.850
   80   2HZ   LYS   9          HZ2       LYS   9  -0.934  12.914  -7.465
   81   3HZ   LYS   9          HZ3       LYS   9   0.675  12.764  -6.949
   82    H    LYS  10           HN       LYS  10   0.373   5.816  -3.225
   83    HA   LYS  10           HA       LYS  10   3.079   5.198  -2.341
   84   1HB   LYS  10          HB2       LYS  10   0.497   5.724  -0.905
   85   2HB   LYS  10          HB3       LYS  10   1.891   5.067  -0.063
   86   1HG   LYS  10          HG2       LYS  10   3.185   7.033  -0.609
   87   2HG   LYS  10          HG3       LYS  10   1.844   7.679  -1.559
   88   1HD   LYS  10          HD2       LYS  10   0.459   7.817   0.416
   89   2HD   LYS  10          HD3       LYS  10   1.711   7.041   1.386
   90   1HE   LYS  10          HE2       LYS  10   2.037   9.685  -0.023
   91   2HE   LYS  10          HE3       LYS  10   1.578   9.511   1.670
   92   1HZ   LYS  10          HZ1       LYS  10   4.160   8.934   0.380
   93   2HZ   LYS  10          HZ2       LYS  10   3.730   8.106   1.797
   94   3HZ   LYS  10          HZ3       LYS  10   3.835   9.802   1.803
   95    H    HIS  11           HN       HIS  11   0.177   3.427  -3.132
   96    HA   HIS  11           HA       HIS  11   1.342   1.099  -1.755
   97   1HB   HIS  11          HB2       HIS  11  -1.548   1.947  -1.583
   98   2HB   HIS  11          HB3       HIS  11  -0.913   0.419  -0.984
   99    HD1  HIS  11           HD1      HIS  11   1.036   0.724   0.932
  100    HD2  HIS  11           HD2      HIS  11  -1.505   3.950   0.240
  101    HE1  HIS  11           HE1      HIS  11   1.230   2.197   2.965
  102    HE2  HIS  11           HE2      HIS  11  -0.409   4.074   2.588
  103    H    ILE  12           HN       ILE  12   0.207   2.206  -4.691
  104    HA   ILE  12           HA       ILE  12  -0.744  -0.482  -5.424
  105    HB   ILE  12           HB       ILE  12  -1.101   2.115  -6.928
  106   1HG1  ILE  12          HG12      ILE  12  -2.466   2.026  -4.911
  107   2HG1  ILE  12          HG13      ILE  12  -3.479   1.871  -6.338
  108   1HG2  ILE  12          HG21      ILE  12  -0.972   0.269  -8.478
  109   2HG2  ILE  12          HG22      ILE  12  -2.136  -0.652  -7.525
  110   3HG2  ILE  12          HG23      ILE  12  -2.645   0.821  -8.354
  111   1HD1  ILE  12          HD11      ILE  12  -2.600  -0.375  -4.534
  112   2HD1  ILE  12          HD12      ILE  12  -4.206   0.355  -4.594
  113   3HD1  ILE  12          HD13      ILE  12  -3.594  -0.549  -5.981
  114    H    THR  13           HN       THR  13   0.774  -1.751  -6.248
  115    HA   THR  13           HA       THR  13   2.614  -0.571  -8.216
  116    HB   THR  13           HB       THR  13   3.869  -1.109  -6.154
  117    HG1  THR  13           HG1      THR  13   5.401  -2.561  -7.254
  118   1HG2  THR  13          HG21      THR  13   2.534  -2.977  -5.322
  119   2HG2  THR  13          HG22      THR  13   4.223  -3.454  -5.516
  120   3HG2  THR  13          HG23      THR  13   3.019  -3.955  -6.707
  121    H    ASN  14           HN       ASN  14   3.298  -2.018  -9.904
  122    HA   ASN  14           HA       ASN  14   1.239  -4.048 -10.464
  123   1HB   ASN  14          HB2       ASN  14   1.412  -1.985 -11.945
  124   2HB   ASN  14          HB3       ASN  14   2.965  -2.611 -12.484
  125   1HD2  ASN  14          HD21      ASN  14   2.415  -2.939 -14.558
  126   2HD2  ASN  14          HD22      ASN  14   1.241  -4.106 -15.083
  127    H    THR  15           HN       THR  15   4.191  -3.917  -9.292
  128    HA   THR  15           HA       THR  15   4.999  -6.428 -10.584
  129    HB   THR  15           HB       THR  15   6.434  -4.582 -11.415
  130    HG1  THR  15           HG1      THR  15   8.226  -5.775 -11.250
  131   1HG2  THR  15          HG21      THR  15   6.366  -3.105  -9.483
  132   2HG2  THR  15          HG22      THR  15   8.033  -3.509  -9.887
  133   3HG2  THR  15          HG23      THR  15   7.242  -4.293  -8.519
  134    H    ARG  16           HN       ARG  16   6.181  -7.894  -9.187
  135    HA   ARG  16           HA       ARG  16   5.152  -7.800  -6.506
  136   1HB   ARG  16          HB2       ARG  16   6.790  -9.782  -8.049
  137   2HB   ARG  16          HB3       ARG  16   6.582  -9.959  -6.311
  138   1HG   ARG  16          HG2       ARG  16   4.320  -9.765  -8.285
  139   2HG   ARG  16          HG3       ARG  16   4.975 -11.276  -7.647
  140   1HD   ARG  16          HD2       ARG  16   3.948  -9.078  -5.875
  141   2HD   ARG  16          HD3       ARG  16   2.903 -10.349  -6.502
  142    HE   ARG  16           HE       ARG  16   4.585 -11.905  -5.362
  143   1HH1  ARG  16          HH12      ARG  16   3.900  -8.673  -4.183
  144   2HH1  ARG  16          HH11      ARG  16   4.083  -9.096  -2.511
  145   1HH2  ARG  16          HH22      ARG  16   4.781 -12.489  -3.154
  146   2HH2  ARG  16          HH21      ARG  16   4.557 -11.278  -1.929
  147    H    ASP  17           HN       ASP  17   8.290  -7.362  -8.022
  148    HA   ASP  17           HA       ASP  17   9.339  -6.616  -5.403
  149   1HB   ASP  17          HB2       ASP  17  11.565  -6.826  -6.499
  150   2HB   ASP  17          HB3       ASP  17  10.678  -8.331  -6.403
  151    H    VAL  18           HN       VAL  18   8.481  -4.592  -5.292
  152    HA   VAL  18           HA       VAL  18   8.809  -2.673  -7.388
  153    HB   VAL  18           HB       VAL  18   6.948  -2.259  -6.026
  154   1HG1  VAL  18          HG11      VAL  18   7.186  -1.898  -3.527
  155   2HG1  VAL  18          HG12      VAL  18   7.319  -3.560  -4.109
  156   3HG1  VAL  18          HG13      VAL  18   8.772  -2.657  -3.676
  157   1HG2  VAL  18          HG21      VAL  18   8.128  -0.211  -6.562
  158   2HG2  VAL  18          HG22      VAL  18   7.359  -0.078  -4.980
  159   3HG2  VAL  18          HG23      VAL  18   9.098  -0.360  -5.096
  160    H    ASP  19           HN       ASP  19  10.382  -1.089  -7.621
  161    HA   ASP  19           HA       ASP  19  12.849  -1.605  -6.217
  162   1HB   ASP  19          HB2       ASP  19  12.605  -0.936  -8.710
  163   2HB   ASP  19          HB3       ASP  19  12.465   0.714  -8.098
  164    H    CYS  20           HN       CYS  20  11.686  -1.088  -4.192
  165    HA   CYS  20           HA       CYS  20  10.814   1.360  -3.320
  166   1HB   CYS  20          HB2       CYS  20  12.522  -0.433  -1.652
  167   2HB   CYS  20          HB3       CYS  20  11.153   0.509  -1.158
  168    H    ASP  21           HN       ASP  21  14.081   0.070  -3.285
  169    HA   ASP  21           HA       ASP  21  15.469   1.937  -1.871
  170   1HB   ASP  21          HB2       ASP  21  16.256  -0.207  -3.141
  171   2HB   ASP  21          HB3       ASP  21  16.640   0.919  -4.439
  172    H    ASN  22           HN       ASN  22  14.321   2.239  -5.170
  173    HA   ASN  22           HA       ASN  22  15.501   4.910  -5.403
  174   1HB   ASN  22          HB2       ASN  22  15.658   3.177  -7.253
  175   2HB   ASN  22          HB3       ASN  22  13.927   3.378  -7.473
  176   1HD2  ASN  22          HD21      ASN  22  17.031   4.736  -7.881
  177   2HD2  ASN  22          HD22      ASN  22  16.568   6.063  -8.897
  178    H    ILE  23           HN       ILE  23  12.391   3.256  -5.666
  179    HA   ILE  23           HA       ILE  23  10.862   5.511  -6.309
  180    HB   ILE  23           HB       ILE  23  10.083   2.866  -5.092
  181   1HG1  ILE  23          HG12      ILE  23   9.818   4.030  -7.873
  182   2HG1  ILE  23          HG13      ILE  23  10.987   2.816  -7.369
  183   1HG2  ILE  23          HG21      ILE  23   7.759   3.382  -5.600
  184   2HG2  ILE  23          HG22      ILE  23   8.412   4.550  -4.449
  185   3HG2  ILE  23          HG23      ILE  23   8.222   4.996  -6.145
  186   1HD1  ILE  23          HD11      ILE  23   9.141   1.830  -8.602
  187   2HD1  ILE  23          HD12      ILE  23   9.182   1.246  -6.938
  188   3HD1  ILE  23          HD13      ILE  23   8.000   2.464  -7.415
  189    H    LEU  24           HN       LEU  24  11.865   4.279  -3.146
  190    HA   LEU  24           HA       LEU  24   9.924   5.965  -1.796
  191   1HB   LEU  24          HB2       LEU  24  12.193   4.659  -0.361
  192   2HB   LEU  24          HB3       LEU  24  10.589   5.033   0.225
  193    HG   LEU  24           HG       LEU  24  11.413   2.759  -1.557
  194   1HD1  LEU  24          HD11      LEU  24  11.780   2.451   0.826
  195   2HD1  LEU  24          HD12      LEU  24  10.089   2.843   1.144
  196   3HD1  LEU  24          HD13      LEU  24  10.502   1.393   0.229
  197   1HD2  LEU  24          HD21      LEU  24   9.278   3.730  -2.338
  198   2HD2  LEU  24          HD22      LEU  24   9.156   2.074  -1.725
  199   3HD2  LEU  24          HD23      LEU  24   8.609   3.431  -0.730
  200    H    SER  25           HN       SER  25  12.944   6.424  -3.163
  201    HA   SER  25           HA       SER  25  13.987   8.261  -1.195
  202   1HB   SER  25          HB2       SER  25  15.443   6.845  -2.661
  203   2HB   SER  25          HB3       SER  25  14.912   7.797  -4.044
  204    HG   SER  25           HG       SER  25  16.057   9.482  -3.369
  205    H    THR  26           HN       THR  26  11.572   8.455  -3.419
  206    HA   THR  26           HA       THR  26  12.042  11.091  -4.463
  207    HB   THR  26           HB       THR  26   9.740  10.873  -5.363
  208    HG1  THR  26           HG1      THR  26   9.536   8.208  -4.606
  209   1HG2  THR  26          HG21      THR  26  11.603   9.988  -6.661
  210   2HG2  THR  26          HG22      THR  26  10.187   8.953  -6.846
  211   3HG2  THR  26          HG23      THR  26  11.506   8.460  -5.787
  212    H    ASN  27           HN       ASN  27  10.227  12.753  -4.218
  213    HA   ASN  27           HA       ASN  27   9.850  13.343  -1.418
  214   1HB   ASN  27          HB2       ASN  27  10.313  15.003  -3.324
  215   2HB   ASN  27          HB3       ASN  27   8.612  14.833  -3.730
  216   1HD2  ASN  27          HD21      ASN  27  10.903  16.020  -1.408
  217   2HD2  ASN  27          HD22      ASN  27   9.794  17.015  -0.518
  218    H    LEU  28           HN       LEU  28   8.573  11.012  -2.627
  219    HA   LEU  28           HA       LEU  28   5.733  11.611  -2.185
  220   1HB   LEU  28          HB2       LEU  28   6.236  10.771  -4.428
  221   2HB   LEU  28          HB3       LEU  28   7.046   9.376  -3.742
  222    HG   LEU  28           HG       LEU  28   4.920   8.566  -2.837
  223   1HD1  LEU  28          HD11      LEU  28   2.837   9.653  -3.329
  224   2HD1  LEU  28          HD12      LEU  28   3.904  10.799  -2.516
  225   3HD1  LEU  28          HD13      LEU  28   3.664  10.906  -4.260
  226   1HD2  LEU  28          HD21      LEU  28   3.843   8.022  -4.971
  227   2HD2  LEU  28          HD22      LEU  28   4.809   9.263  -5.770
  228   3HD2  LEU  28          HD23      LEU  28   5.596   7.854  -5.061
  229    H    PHE  29           HN       PHE  29   8.492  10.029  -1.033
  230    HA   PHE  29           HA       PHE  29   6.912   8.642   1.010
  231   1HB   PHE  29          HB2       PHE  29   9.267   7.461  -0.489
  232   2HB   PHE  29          HB3       PHE  29   8.520   6.740   0.933
  233    HD1  PHE  29           HD1      PHE  29   8.325   7.208  -2.638
  234    HD2  PHE  29           HD2      PHE  29   6.199   5.894   0.800
  235    HE1  PHE  29           HE1      PHE  29   6.725   6.029  -4.086
  236    HE2  PHE  29           HE2      PHE  29   4.594   4.711  -0.641
  237    HZ   PHE  29           HZ       PHE  29   4.856   4.779  -3.085
  238    H    HIS  30           HN       HIS  30   9.791  10.209  -0.086
  239    HA   HIS  30           HA       HIS  30  11.320  11.500   0.944
  240   1HB   HIS  30          HB2       HIS  30   9.561  11.418   3.396
  241   2HB   HIS  30          HB3       HIS  30  10.738  12.630   2.941
  242    HD1  HIS  30           HD1      HIS  30   7.208  11.696   2.514
  243    HD2  HIS  30           HD2      HIS  30   9.897  14.434   0.910
  244    HE1  HIS  30           HE1      HIS  30   5.804  13.395   1.306
  245    HE2  HIS  30           HE2      HIS  30   7.436  15.153   0.538
  246    H    CYS  31           HN       CYS  31  11.379   8.571   1.179
  247    HA   CYS  31           HA       CYS  31  12.540   6.903   2.149
  248   1HB   CYS  31          HB2       CYS  31  14.206   9.154   3.296
  249   2HB   CYS  31          HB3       CYS  31  14.692   7.468   3.181
  250    H    LYS  32           HN       LYS  32  10.291   7.157   3.513
  251    HA   LYS  32           HA       LYS  32  10.755   7.366   6.327
  252   1HB   LYS  32          HB2       LYS  32   8.514   6.730   6.620
  253   2HB   LYS  32          HB3       LYS  32   8.528   7.683   5.150
  254   1HG   LYS  32          HG2       LYS  32   8.580   4.678   5.140
  255   2HG   LYS  32          HG3       LYS  32   7.094   5.613   5.159
  256   1HD   LYS  32          HD2       LYS  32   7.270   5.331   2.922
  257   2HD   LYS  32          HD3       LYS  32   8.277   6.771   3.067
  258   1HE   LYS  32          HE2       LYS  32   9.245   4.922   1.670
  259   2HE   LYS  32          HE3       LYS  32  10.273   5.483   2.988
  260   1HZ   LYS  32          HZ1       LYS  32  10.062   2.995   2.675
  261   2HZ   LYS  32          HZ2       LYS  32   8.494   3.140   3.298
  262   3HZ   LYS  32          HZ3       LYS  32   9.827   3.586   4.242
  263    H    ASP  33           HN       ASP  33  10.236   5.430   7.780
  264    HA   ASP  33           HA       ASP  33  12.290   3.568   7.548
  265   1HB   ASP  33          HB2       ASP  33   9.712   3.400   9.116
  266   2HB   ASP  33          HB3       ASP  33  11.017   2.231   9.272
  267    H    LYS  34           HN       LYS  34   8.799   2.924   7.047
  268    HA   LYS  34           HA       LYS  34   9.585   0.882   5.114
  269   1HB   LYS  34          HB2       LYS  34   7.928  -0.729   6.140
  270   2HB   LYS  34          HB3       LYS  34   9.435  -0.495   7.005
  271   1HG   LYS  34          HG2       LYS  34   7.804  -0.541   8.660
  272   2HG   LYS  34          HG3       LYS  34   8.157   1.172   8.445
  273   1HD   LYS  34          HD2       LYS  34   6.164   1.444   7.094
  274   2HD   LYS  34          HD3       LYS  34   5.835  -0.288   7.187
  275   1HE   LYS  34          HE2       LYS  34   5.554  -0.115   9.596
  276   2HE   LYS  34          HE3       LYS  34   5.931   1.605   9.530
  277   1HZ   LYS  34          HZ1       LYS  34   3.614   0.300   8.208
  278   2HZ   LYS  34          HZ2       LYS  34   3.965   1.962   8.192
  279   3HZ   LYS  34          HZ3       LYS  34   3.545   1.196   9.647
  280    H    ASN  35           HN       ASN  35   7.732  -0.015   3.897
  281    HA   ASN  35           HA       ASN  35   5.269   1.459   3.830
  282   1HB   ASN  35          HB2       ASN  35   6.916   2.992   2.628
  283   2HB   ASN  35          HB3       ASN  35   7.069   1.735   1.413
  284   1HD2  ASN  35          HD21      ASN  35   5.353   1.307   0.052
  285   2HD2  ASN  35          HD22      ASN  35   4.028   2.405  -0.147
  286    H    THR  36           HN       THR  36   3.856  -0.116   3.394
  287    HA   THR  36           HA       THR  36   4.734  -2.433   1.867
  288    HB   THR  36           HB       THR  36   2.129  -1.993   3.345
  289    HG1  THR  36           HG1      THR  36   4.638  -2.592   4.223
  290   1HG2  THR  36          HG21      THR  36   1.888  -3.675   1.621
  291   2HG2  THR  36          HG22      THR  36   1.960  -4.467   3.196
  292   3HG2  THR  36          HG23      THR  36   3.375  -4.467   2.144
  293    H    PHE  37           HN       PHE  37   4.454  -2.455  -0.251
  294    HA   PHE  37           HA       PHE  37   2.276  -0.939  -1.483
  295   1HB   PHE  37          HB2       PHE  37   4.541  -2.525  -2.723
  296   2HB   PHE  37          HB3       PHE  37   3.343  -1.609  -3.626
  297    HD1  PHE  37           HD1      PHE  37   6.108  -1.302  -1.192
  298    HD2  PHE  37           HD2      PHE  37   3.637   0.698  -4.023
  299    HE1  PHE  37           HE1      PHE  37   7.568   0.673  -1.073
  300    HE2  PHE  37           HE2      PHE  37   5.096   2.668  -3.909
  301    HZ   PHE  37           HZ       PHE  37   7.066   2.651  -2.438
  302    H    ILE  38           HN       ILE  38   0.824  -1.955  -2.950
  303    HA   ILE  38           HA       ILE  38   0.301  -4.774  -2.285
  304    HB   ILE  38           HB       ILE  38  -1.646  -2.683  -3.277
  305   1HG1  ILE  38          HG12      ILE  38  -1.513  -3.858  -0.501
  306   2HG1  ILE  38          HG13      ILE  38  -0.681  -2.366  -0.923
  307   1HG2  ILE  38          HG21      ILE  38  -2.109  -5.470  -2.213
  308   2HG2  ILE  38          HG22      ILE  38  -3.364  -4.325  -2.694
  309   3HG2  ILE  38          HG23      ILE  38  -2.247  -4.972  -3.898
  310   1HD1  ILE  38          HD11      ILE  38  -2.795  -1.332  -1.504
  311   2HD1  ILE  38          HD12      ILE  38  -3.644  -2.835  -1.141
  312   3HD1  ILE  38          HD13      ILE  38  -2.831  -1.948   0.148
  313    H    TYR  39           HN       TYR  39   0.754  -6.143  -3.888
  314    HA   TYR  39           HA       TYR  39   0.985  -5.227  -6.613
  315   1HB   TYR  39          HB2       TYR  39   2.550  -6.910  -5.867
  316   2HB   TYR  39          HB3       TYR  39   1.238  -7.976  -5.385
  317    HD1  TYR  39           HD1      TYR  39   2.593  -6.250  -8.409
  318    HD2  TYR  39           HD2      TYR  39   0.549  -9.639  -6.849
  319    HE1  TYR  39           HE1      TYR  39   2.632  -7.291 -10.637
  320    HE2  TYR  39           HE2      TYR  39   0.579 -10.685  -9.072
  321    HH   TYR  39           HH       TYR  39   2.501  -9.543 -11.625
  322    H    SER  40           HN       SER  40  -0.998  -4.531  -7.130
  323    HA   SER  40           HA       SER  40  -2.787  -6.366  -8.276
  324   1HB   SER  40          HB2       SER  40  -3.425  -6.652  -5.841
  325   2HB   SER  40          HB3       SER  40  -3.853  -4.948  -5.810
  326    HG   SER  40           HG       SER  40  -5.415  -6.895  -6.464
  327    H    ARG  41           HN       ARG  41  -4.857  -4.991  -8.929
  328    HA   ARG  41           HA       ARG  41  -3.792  -2.447  -9.850
  329   1HB   ARG  41          HB2       ARG  41  -6.186  -4.060 -10.669
  330   2HB   ARG  41          HB3       ARG  41  -6.010  -2.387 -11.154
  331   1HG   ARG  41          HG2       ARG  41  -4.093  -4.625 -11.780
  332   2HG   ARG  41          HG3       ARG  41  -5.215  -3.851 -12.905
  333   1HD   ARG  41          HD2       ARG  41  -4.078  -1.694 -12.468
  334   2HD   ARG  41          HD3       ARG  41  -2.907  -2.550 -11.472
  335    HE   ARG  41           HE       ARG  41  -2.484  -3.846 -13.671
  336   1HH1  ARG  41          HH12      ARG  41  -3.449  -0.495 -13.456
  337   2HH1  ARG  41          HH11      ARG  41  -2.488   0.021 -14.808
  338   1HH2  ARG  41          HH22      ARG  41  -1.217  -3.182 -15.490
  339   2HH2  ARG  41          HH21      ARG  41  -1.237  -1.509 -15.972
  340    HA   PRO  42           HA       PRO  42  -5.855   0.102  -6.986
  341   1HB   PRO  42          HB2       PRO  42  -6.751   2.138  -8.583
  342   2HB   PRO  42          HB3       PRO  42  -5.065   1.951  -8.092
  343   1HG   PRO  42          HG2       PRO  42  -6.393   1.164 -10.651
  344   2HG   PRO  42          HG3       PRO  42  -4.818   1.930 -10.403
  345   1HD   PRO  42          HD2       PRO  42  -5.055  -0.706 -10.916
  346   2HD   PRO  42          HD3       PRO  42  -3.796  -0.066  -9.832
  347    H    GLU  43           HN       GLU  43  -7.589  -1.072  -9.746
  348    HA   GLU  43           HA       GLU  43 -10.134  -0.021  -9.044
  349   1HB   GLU  43          HB2       GLU  43  -9.329  -2.247 -10.919
  350   2HB   GLU  43          HB3       GLU  43 -10.930  -1.545 -10.826
  351   1HG   GLU  43          HG2       GLU  43 -10.244   0.473 -11.740
  352   2HG   GLU  43          HG3       GLU  43  -8.550   0.177 -11.350
  353    HA   PRO  44           HA       PRO  44 -11.046  -4.541  -7.469
  354   1HB   PRO  44          HB2       PRO  44  -8.825  -6.072  -6.965
  355   2HB   PRO  44          HB3       PRO  44  -9.772  -6.165  -8.450
  356   1HG   PRO  44          HG2       PRO  44  -7.220  -4.701  -7.912
  357   2HG   PRO  44          HG3       PRO  44  -7.688  -5.652  -9.336
  358   1HD   PRO  44          HD2       PRO  44  -7.787  -2.968  -9.351
  359   2HD   PRO  44          HD3       PRO  44  -8.993  -3.944 -10.193
  360    H    VAL  45           HN       VAL  45  -8.349  -2.599  -6.461
  361    HA   VAL  45           HA       VAL  45  -8.563  -3.453  -3.691
  362    HB   VAL  45           HB       VAL  45  -6.821  -1.335  -4.972
  363   1HG1  VAL  45          HG11      VAL  45  -6.827  -2.350  -2.132
  364   2HG1  VAL  45          HG12      VAL  45  -5.615  -1.278  -2.833
  365   3HG1  VAL  45          HG13      VAL  45  -7.282  -0.729  -2.662
  366   1HG2  VAL  45          HG21      VAL  45  -5.006  -2.921  -4.547
  367   2HG2  VAL  45          HG22      VAL  45  -6.169  -4.077  -3.899
  368   3HG2  VAL  45          HG23      VAL  45  -6.237  -3.617  -5.602
  369    H    LYS  46           HN       LYS  46  -9.453  -0.713  -5.716
  370    HA   LYS  46           HA       LYS  46 -10.501   0.864  -3.579
  371   1HB   LYS  46          HB2       LYS  46  -9.857   1.742  -5.854
  372   2HB   LYS  46          HB3       LYS  46 -11.281   0.950  -6.503
  373   1HG   LYS  46          HG2       LYS  46 -12.715   2.328  -5.122
  374   2HG   LYS  46          HG3       LYS  46 -11.307   3.092  -4.385
  375   1HD   LYS  46          HD2       LYS  46 -10.635   3.903  -6.625
  376   2HD   LYS  46          HD3       LYS  46 -12.134   3.236  -7.278
  377   1HE   LYS  46          HE2       LYS  46 -11.906   5.358  -5.150
  378   2HE   LYS  46          HE3       LYS  46 -12.350   5.622  -6.833
  379   1HZ   LYS  46          HZ1       LYS  46 -14.324   5.565  -5.522
  380   2HZ   LYS  46          HZ2       LYS  46 -13.881   4.097  -4.803
  381   3HZ   LYS  46          HZ3       LYS  46 -14.281   4.143  -6.450
  382    H    ALA  47           HN       ALA  47 -11.651  -1.725  -5.574
  383    HA   ALA  47           HA       ALA  47 -14.412  -1.525  -5.083
  384   1HB   ALA  47          HB1       ALA  47 -12.781  -3.998  -5.659
  385   2HB   ALA  47          HB2       ALA  47 -14.533  -3.850  -5.808
  386   3HB   ALA  47          HB3       ALA  47 -13.476  -2.916  -6.868
  387    H    ILE  48           HN       ILE  48 -11.796  -2.636  -3.100
  388    HA   ILE  48           HA       ILE  48 -13.207  -4.237  -1.273
  389    HB   ILE  48           HB       ILE  48 -10.856  -2.419  -0.668
  390   1HG1  ILE  48          HG12      ILE  48 -10.862  -5.349  -1.442
  391   2HG1  ILE  48          HG13      ILE  48 -10.477  -4.039  -2.553
  392   1HG2  ILE  48          HG21      ILE  48 -11.982  -3.197   1.341
  393   2HG2  ILE  48          HG22      ILE  48 -11.903  -4.861   0.763
  394   3HG2  ILE  48          HG23      ILE  48 -10.419  -3.997   1.165
  395   1HD1  ILE  48          HD11      ILE  48  -8.571  -3.426  -1.167
  396   2HD1  ILE  48          HD12      ILE  48  -8.966  -4.733  -0.051
  397   3HD1  ILE  48          HD13      ILE  48  -8.475  -5.103  -1.702
  398    H    CYS  49           HN       CYS  49 -12.968  -0.788  -1.724
  399    HA   CYS  49           HA       CYS  49 -14.457  -0.302   0.744
  400   1HB   CYS  49          HB2       CYS  49 -13.091   1.593  -1.171
  401   2HB   CYS  49          HB3       CYS  49 -13.892   2.065   0.324
  402    H    LYS  50           HN       LYS  50 -15.454  -1.336  -2.026
  403    HA   LYS  50           HA       LYS  50 -17.257   0.561  -3.047
  404   1HB   LYS  50          HB2       LYS  50 -16.679  -1.537  -4.202
  405   2HB   LYS  50          HB3       LYS  50 -17.538  -2.451  -2.972
  406   1HG   LYS  50          HG2       LYS  50 -19.624  -1.265  -3.635
  407   2HG   LYS  50          HG3       LYS  50 -18.721  -0.522  -4.958
  408   1HD   LYS  50          HD2       LYS  50 -19.024  -3.493  -4.540
  409   2HD   LYS  50          HD3       LYS  50 -20.012  -2.532  -5.640
  410   1HE   LYS  50          HE2       LYS  50 -18.067  -1.958  -6.952
  411   2HE   LYS  50          HE3       LYS  50 -17.009  -2.765  -5.793
  412   1HZ   LYS  50          HZ1       LYS  50 -17.550  -4.063  -7.853
  413   2HZ   LYS  50          HZ2       LYS  50 -19.143  -4.188  -7.286
  414   3HZ   LYS  50          HZ3       LYS  50 -17.870  -4.866  -6.391
  415    H    GLY  51           HN       GLY  51 -18.983   1.452  -2.201
  416   1HA   GLY  51          HA1       GLY  51 -21.024   1.598  -1.124
  417   2HA   GLY  51          HA2       GLY  51 -20.823  -0.065  -0.600
  418    H    ILE  52           HN       ILE  52 -18.166   1.989   0.080
  419    HA   ILE  52           HA       ILE  52 -19.088   2.248   2.870
  420    HB   ILE  52           HB       ILE  52 -16.203   2.117   2.020
  421   1HG1  ILE  52          HG12      ILE  52 -17.349   0.042   1.316
  422   2HG1  ILE  52          HG13      ILE  52 -16.190  -0.242   2.600
  423   1HG2  ILE  52          HG21      ILE  52 -16.648   3.084   4.206
  424   2HG2  ILE  52          HG22      ILE  52 -17.580   1.658   4.663
  425   3HG2  ILE  52          HG23      ILE  52 -15.847   1.521   4.371
  426   1HD1  ILE  52          HD11      ILE  52 -18.015  -0.323   4.225
  427   2HD1  ILE  52          HD12      ILE  52 -19.170  -0.043   2.921
  428   3HD1  ILE  52          HD13      ILE  52 -18.214  -1.525   2.950
  429    H    ILE  53           HN       ILE  53 -19.826   4.333   2.878
  430    HA   ILE  53           HA       ILE  53 -18.376   6.379   1.418
  431    HB   ILE  53           HB       ILE  53 -20.930   6.559   3.002
  432   1HG1  ILE  53          HG12      ILE  53 -21.381   5.159   1.177
  433   2HG1  ILE  53          HG13      ILE  53 -21.903   6.746   0.655
  434   1HG2  ILE  53          HG21      ILE  53 -19.835   8.706   2.855
  435   2HG2  ILE  53          HG22      ILE  53 -19.676   8.523   1.107
  436   3HG2  ILE  53          HG23      ILE  53 -21.273   8.676   1.833
  437   1HD1  ILE  53          HD11      ILE  53 -19.372   5.334  -0.113
  438   2HD1  ILE  53          HD12      ILE  53 -20.758   5.683  -1.148
  439   3HD1  ILE  53          HD13      ILE  53 -19.757   7.004  -0.542
  440    H    ALA  54           HN       ALA  54 -19.549   5.928   4.750
  441    HA   ALA  54           HA       ALA  54 -17.990   8.090   5.781
  442   1HB   ALA  54          HB1       ALA  54 -19.262   5.787   7.262
  443   2HB   ALA  54          HB2       ALA  54 -18.675   7.290   7.974
  444   3HB   ALA  54          HB3       ALA  54 -20.052   7.315   6.871
  445    H    SER  55           HN       SER  55 -16.046   8.067   6.826
  446    HA   SER  55           HA       SER  55 -14.057   6.331   6.053
  447   1HB   SER  55          HB2       SER  55 -13.775   8.605   7.096
  448   2HB   SER  55          HB3       SER  55 -14.083   7.860   8.665
  449    HG   SER  55           HG       SER  55 -11.887   7.578   6.945
  450    H    LYS  56           HN       LYS  56 -14.085   4.213   6.317
  451    HA   LYS  56           HA       LYS  56 -14.556   3.103   8.999
  452   1HB   LYS  56          HB2       LYS  56 -16.604   2.917   7.589
  453   2HB   LYS  56          HB3       LYS  56 -15.679   1.992   6.419
  454   1HG   LYS  56          HG2       LYS  56 -15.286   0.271   8.148
  455   2HG   LYS  56          HG3       LYS  56 -16.319   1.191   9.247
  456   1HD   LYS  56          HD2       LYS  56 -18.135   1.022   7.517
  457   2HD   LYS  56          HD3       LYS  56 -17.095  -0.096   6.636
  458   1HE   LYS  56          HE2       LYS  56 -18.654  -1.362   7.954
  459   2HE   LYS  56          HE3       LYS  56 -17.041  -1.554   8.637
  460   1HZ   LYS  56          HZ1       LYS  56 -19.087   0.343   9.657
  461   2HZ   LYS  56          HZ2       LYS  56 -17.573   0.012  10.353
  462   3HZ   LYS  56          HZ3       LYS  56 -18.771  -1.184  10.323
  463    H    ASN  57           HN       ASN  57 -12.941   1.814   9.597
  464    HA   ASN  57           HA       ASN  57 -10.920   1.011   7.716
  465   1HB   ASN  57          HB2       ASN  57 -11.282   0.460  10.668
  466   2HB   ASN  57          HB3       ASN  57  -9.919  -0.146   9.733
  467   1HD2  ASN  57          HD21      ASN  57  -9.915   1.685  12.001
  468   2HD2  ASN  57          HD22      ASN  57  -9.161   3.137  11.433
  469    H    VAL  58           HN       VAL  58 -11.329  -0.619   6.350
  470    HA   VAL  58           HA       VAL  58 -12.849  -2.913   7.405
  471    HB   VAL  58           HB       VAL  58 -13.721  -3.359   5.262
  472   1HG1  VAL  58          HG11      VAL  58 -14.873  -1.584   6.414
  473   2HG1  VAL  58          HG12      VAL  58 -13.798  -0.386   5.695
  474   3HG1  VAL  58          HG13      VAL  58 -14.910  -1.298   4.675
  475   1HG2  VAL  58          HG21      VAL  58 -11.741  -3.002   3.920
  476   2HG2  VAL  58          HG22      VAL  58 -13.116  -2.136   3.232
  477   3HG2  VAL  58          HG23      VAL  58 -11.885  -1.258   4.141
  478    H    LEU  59           HN       LEU  59 -11.977  -4.872   7.356
  479    HA   LEU  59           HA       LEU  59  -9.227  -5.130   6.407
  480   1HB   LEU  59          HB2       LEU  59  -9.876  -5.628   8.787
  481   2HB   LEU  59          HB3       LEU  59 -10.849  -6.954   8.196
  482    HG   LEU  59           HG       LEU  59  -8.385  -7.264   9.160
  483   1HD1  LEU  59          HD11      LEU  59  -9.565  -8.824   6.886
  484   2HD1  LEU  59          HD12      LEU  59  -8.280  -9.384   7.958
  485   3HD1  LEU  59          HD13      LEU  59  -9.886  -9.056   8.604
  486   1HD2  LEU  59          HD21      LEU  59  -7.342  -5.880   7.425
  487   2HD2  LEU  59          HD22      LEU  59  -6.762  -7.550   7.404
  488   3HD2  LEU  59          HD23      LEU  59  -7.932  -7.010   6.200
  489    H    THR  60           HN       THR  60  -8.660  -6.582   4.835
  490    HA   THR  60           HA       THR  60 -10.685  -7.327   2.996
  491    HB   THR  60           HB       THR  60  -8.841  -8.482   1.768
  492    HG1  THR  60           HG1      THR  60  -7.093  -8.944   2.832
  493   1HG2  THR  60          HG21      THR  60  -8.237  -5.663   2.661
  494   2HG2  THR  60          HG22      THR  60  -9.354  -6.117   1.371
  495   3HG2  THR  60          HG23      THR  60  -7.628  -6.441   1.199
  496    H    THR  61           HN       THR  61 -11.190  -9.414   2.232
  497    HA   THR  61           HA       THR  61 -11.455 -11.303   4.424
  498    HB   THR  61           HB       THR  61 -12.978 -12.454   2.722
  499    HG1  THR  61           HG1      THR  61 -13.010 -11.605   0.784
  500   1HG2  THR  61          HG21      THR  61 -13.615  -9.624   3.568
  501   2HG2  THR  61          HG22      THR  61 -13.800 -11.061   4.574
  502   3HG2  THR  61          HG23      THR  61 -14.793 -10.861   3.130
  503    H    SER  62           HN       SER  62  -9.664 -10.846   1.548
  504    HA   SER  62           HA       SER  62  -8.533 -13.548   1.834
  505   1HB   SER  62          HB2       SER  62  -8.905 -12.033  -0.764
  506   2HB   SER  62          HB3       SER  62  -8.197 -13.639  -0.588
  507    HG   SER  62           HG       SER  62 -10.812 -13.055   0.320
  508    H    GLU  63           HN       GLU  63  -6.281 -13.713   1.129
  509    HA   GLU  63           HA       GLU  63  -4.767 -11.418   1.998
  510   1HB   GLU  63          HB2       GLU  63  -3.578 -13.949   0.869
  511   2HB   GLU  63          HB3       GLU  63  -2.852 -12.806   1.980
  512   1HG   GLU  63          HG2       GLU  63  -3.335 -14.623   3.321
  513   2HG   GLU  63          HG3       GLU  63  -4.682 -13.527   3.626
  514    H    PHE  64           HN       PHE  64  -3.519 -10.110   0.784
  515    HA   PHE  64           HA       PHE  64  -3.613 -10.518  -2.130
  516   1HB   PHE  64          HB2       PHE  64  -3.500  -8.011  -0.473
  517   2HB   PHE  64          HB3       PHE  64  -3.110  -8.011  -2.186
  518    HD1  PHE  64           HD1      PHE  64  -4.819  -8.008  -3.821
  519    HD2  PHE  64           HD2      PHE  64  -5.787  -8.677   0.267
  520    HE1  PHE  64           HE1      PHE  64  -7.209  -7.774  -4.352
  521    HE2  PHE  64           HE2      PHE  64  -8.179  -8.446  -0.258
  522    HZ   PHE  64           HZ       PHE  64  -8.885  -7.977  -2.590
  523    H    TYR  65           HN       TYR  65  -1.683  -9.519  -3.251
  524    HA   TYR  65           HA       TYR  65   0.641 -10.693  -1.958
  525   1HB   TYR  65          HB2       TYR  65   0.243  -9.677  -4.781
  526   2HB   TYR  65          HB3       TYR  65   1.702 -10.472  -4.185
  527    HD1  TYR  65           HD1      TYR  65  -1.724 -10.938  -5.303
  528    HD2  TYR  65           HD2      TYR  65   1.638 -12.854  -3.540
  529    HE1  TYR  65           HE1      TYR  65  -2.732 -13.134  -5.775
  530    HE2  TYR  65           HE2      TYR  65   0.643 -15.052  -4.011
  531    HH   TYR  65           HH       TYR  65  -1.971 -15.479  -6.103
  532    H    LEU  66           HN       LEU  66   1.647  -9.409  -0.611
  533    HA   LEU  66           HA       LEU  66   1.702  -6.534  -1.177
  534   1HB   LEU  66          HB2       LEU  66   2.259  -7.964   1.416
  535   2HB   LEU  66          HB3       LEU  66   2.065  -6.234   1.189
  536    HG   LEU  66           HG       LEU  66  -0.099  -8.291   0.774
  537   1HD1  LEU  66          HD11      LEU  66   0.456  -8.123   3.108
  538   2HD1  LEU  66          HD12      LEU  66   0.388  -6.361   3.031
  539   3HD1  LEU  66          HD13      LEU  66  -1.082  -7.312   2.811
  540   1HD2  LEU  66          HD21      LEU  66  -0.383  -6.346  -0.656
  541   2HD2  LEU  66          HD22      LEU  66  -1.593  -6.358   0.625
  542   3HD2  LEU  66          HD23      LEU  66  -0.202  -5.278   0.737
  543    H    SER  67           HN       SER  67   3.591  -5.374  -1.089
  544    HA   SER  67           HA       SER  67   6.082  -6.883  -0.676
  545   1HB   SER  67          HB2       SER  67   5.681  -4.666  -2.703
  546   2HB   SER  67          HB3       SER  67   7.121  -5.665  -2.492
  547    HG   SER  67           HG       SER  67   6.206  -6.856  -3.969
  548    H    ASP  68           HN       ASP  68   6.903  -6.115   1.167
  549    HA   ASP  68           HA       ASP  68   6.340  -3.325   1.866
  550   1HB   ASP  68          HB2       ASP  68   5.680  -4.998   3.537
  551   2HB   ASP  68          HB3       ASP  68   7.346  -5.576   3.615
  552    H    CYS  69           HN       CYS  69   7.873  -1.851   1.941
  553    HA   CYS  69           HA       CYS  69  10.645  -2.747   1.549
  554   1HB   CYS  69          HB2       CYS  69   9.623   0.044   1.118
  555   2HB   CYS  69          HB3       CYS  69  11.047  -0.726   0.423
  556    H    ASN  70           HN       ASN  70  11.880  -2.633   3.283
  557    HA   ASN  70           HA       ASN  70  11.335  -0.544   5.285
  558   1HB   ASN  70          HB2       ASN  70  12.179  -2.352   6.957
  559   2HB   ASN  70          HB3       ASN  70  10.512  -2.414   6.396
  560   1HD2  ASN  70          HD21      ASN  70   9.838  -4.082   5.103
  561   2HD2  ASN  70          HD22      ASN  70  10.820  -5.477   4.789
  562    H    VAL  71           HN       VAL  71  12.966   0.531   6.027
  563    HA   VAL  71           HA       VAL  71  15.433   0.618   4.754
  564    HB   VAL  71           HB       VAL  71  14.579   1.609   7.471
  565   1HG1  VAL  71          HG11      VAL  71  17.053   2.371   5.912
  566   2HG1  VAL  71          HG12      VAL  71  16.530   3.067   7.446
  567   3HG1  VAL  71          HG13      VAL  71  17.035   1.378   7.371
  568   1HG2  VAL  71          HG21      VAL  71  14.447   3.783   6.334
  569   2HG2  VAL  71          HG22      VAL  71  14.865   2.994   4.813
  570   3HG2  VAL  71          HG23      VAL  71  13.357   2.588   5.629
  571    H    THR  72           HN       THR  72  17.362  -0.301   5.096
  572    HA   THR  72           HA       THR  72  17.414  -2.618   6.860
  573    HB   THR  72           HB       THR  72  19.620  -3.057   5.627
  574    HG1  THR  72           HG1      THR  72  18.535  -0.939   4.043
  575   1HG2  THR  72          HG21      THR  72  17.061  -2.969   4.036
  576   2HG2  THR  72          HG22      THR  72  17.547  -4.257   5.139
  577   3HG2  THR  72          HG23      THR  72  18.475  -3.955   3.670
  578    H    SER  73           HN       SER  73  20.370  -1.134   5.947
  579    HA   SER  73           HA       SER  73  20.945  -0.530   8.762
  580   1HB   SER  73          HB2       SER  73  23.359  -0.619   7.911
  581   2HB   SER  73          HB3       SER  73  22.475  -2.148   7.910
  582    HG   SER  73           HG       SER  73  22.598  -2.215   5.810
  583    H    ARG  74           HN       ARG  74  21.844   0.629   5.533
  584    HA   ARG  74           HA       ARG  74  22.458   3.257   6.401
  585   1HB   ARG  74          HB2       ARG  74  22.090   1.954   3.734
  586   2HB   ARG  74          HB3       ARG  74  22.194   3.704   3.839
  587   1HG   ARG  74          HG2       ARG  74  24.369   3.491   4.947
  588   2HG   ARG  74          HG3       ARG  74  24.267   1.739   4.771
  589   1HD   ARG  74          HD2       ARG  74  25.623   2.756   2.994
  590   2HD   ARG  74          HD3       ARG  74  24.181   1.970   2.349
  591    HE   ARG  74           HE       ARG  74  23.908   4.803   2.898
  592   1HH1  ARG  74          HH12      ARG  74  24.676   2.355   0.502
  593   2HH1  ARG  74          HH11      ARG  74  24.391   3.419  -0.849
  594   1HH2  ARG  74          HH22      ARG  74  23.500   6.166   1.151
  595   2HH2  ARG  74          HH21      ARG  74  23.680   5.590  -0.476
  596    HA   PRO  75           HA       PRO  75  18.482   5.125   6.376
  597   1HB   PRO  75          HB2       PRO  75  19.171   7.683   5.713
  598   2HB   PRO  75          HB3       PRO  75  19.414   6.991   7.319
  599   1HG   PRO  75          HG2       PRO  75  21.379   7.446   5.134
  600   2HG   PRO  75          HG3       PRO  75  21.602   7.544   6.888
  601   1HD   PRO  75          HD2       PRO  75  22.408   5.426   5.323
  602   2HD   PRO  75          HD3       PRO  75  22.087   5.319   7.062
  603    H    CYS  76           HN       CYS  76  16.919   5.135   4.938
  604    HA   CYS  76           HA       CYS  76  15.770   5.149   2.995
  605   1HB   CYS  76          HB2       CYS  76  16.709   7.479   2.850
  606   2HB   CYS  76          HB3       CYS  76  18.010   6.833   1.857
  607    H    LYS  77           HN       LYS  77  18.126   3.249   3.537
  608    HA   LYS  77           HA       LYS  77  18.237   2.159   0.806
  609   1HB   LYS  77          HB2       LYS  77  20.305   2.548   2.513
  610   2HB   LYS  77          HB3       LYS  77  19.825   0.926   2.989
  611   1HG   LYS  77          HG2       LYS  77  21.523   0.721   1.358
  612   2HG   LYS  77          HG3       LYS  77  19.999   0.261   0.596
  613   1HD   LYS  77          HD2       LYS  77  19.829   2.475  -0.419
  614   2HD   LYS  77          HD3       LYS  77  21.338   2.957   0.357
  615   1HE   LYS  77          HE2       LYS  77  21.801   2.380  -1.924
  616   2HE   LYS  77          HE3       LYS  77  22.487   1.134  -0.880
  617   1HZ   LYS  77          HZ1       LYS  77  19.910   0.941  -2.353
  618   2HZ   LYS  77          HZ2       LYS  77  20.567  -0.258  -1.349
  619   3HZ   LYS  77          HZ3       LYS  77  21.360   0.168  -2.782
  620    H    TYR  78           HN       TYR  78  16.896   0.431   0.411
  621    HA   TYR  78           HA       TYR  78  15.474  -0.564   2.797
  622   1HB   TYR  78          HB2       TYR  78  14.275  -0.353   0.033
  623   2HB   TYR  78          HB3       TYR  78  13.448  -0.622   1.565
  624    HD1  TYR  78           HD1      TYR  78  13.193   1.192   3.176
  625    HD2  TYR  78           HD2      TYR  78  14.911   1.851  -0.658
  626    HE1  TYR  78           HE1      TYR  78  12.837   3.602   3.441
  627    HE2  TYR  78           HE2      TYR  78  14.559   4.270  -0.398
  628    HH   TYR  78           HH       TYR  78  13.339   5.610   2.627
  629    H    LYS  79           HN       LYS  79  14.671  -2.601   2.879
  630    HA   LYS  79           HA       LYS  79  15.684  -4.537   0.908
  631   1HB   LYS  79          HB2       LYS  79  16.641  -5.065   3.013
  632   2HB   LYS  79          HB3       LYS  79  15.141  -4.746   3.863
  633   1HG   LYS  79          HG2       LYS  79  14.173  -6.753   3.120
  634   2HG   LYS  79          HG3       LYS  79  15.453  -7.020   1.934
  635   1HD   LYS  79          HD2       LYS  79  15.620  -8.427   4.010
  636   2HD   LYS  79          HD3       LYS  79  17.051  -7.464   3.648
  637   1HE   LYS  79          HE2       LYS  79  16.511  -7.399   6.031
  638   2HE   LYS  79          HE3       LYS  79  16.370  -5.805   5.296
  639   1HZ   LYS  79          HZ1       LYS  79  14.038  -5.920   5.359
  640   2HZ   LYS  79          HZ2       LYS  79  14.545  -6.481   6.872
  641   3HZ   LYS  79          HZ3       LYS  79  14.030  -7.581   5.690
  642    H    LEU  80           HN       LEU  80  14.197  -5.646  -0.224
  643    HA   LEU  80           HA       LEU  80  11.430  -4.863   0.102
  644   1HB   LEU  80          HB2       LEU  80  12.696  -5.055  -2.103
  645   2HB   LEU  80          HB3       LEU  80  12.562  -6.789  -1.917
  646    HG   LEU  80           HG       LEU  80  10.871  -5.511  -3.412
  647   1HD1  LEU  80          HD11      LEU  80  10.727  -7.885  -2.918
  648   2HD1  LEU  80          HD12      LEU  80   9.902  -7.516  -1.402
  649   3HD1  LEU  80          HD13      LEU  80   9.135  -7.123  -2.943
  650   1HD2  LEU  80          HD21      LEU  80   8.864  -4.785  -2.280
  651   2HD2  LEU  80          HD22      LEU  80   9.617  -5.104  -0.717
  652   3HD2  LEU  80          HD23      LEU  80  10.255  -3.834  -1.759
  653    H    LYS  81           HN       LYS  81   9.713  -6.257   0.489
  654    HA   LYS  81           HA       LYS  81  10.404  -8.928   1.493
  655   1HB   LYS  81          HB2       LYS  81  10.256  -7.343   3.407
  656   2HB   LYS  81          HB3       LYS  81   8.603  -6.978   2.940
  657   1HG   LYS  81          HG2       LYS  81   7.930  -9.255   3.365
  658   2HG   LYS  81          HG3       LYS  81   9.597  -9.710   3.716
  659   1HD   LYS  81          HD2       LYS  81   8.350  -9.404   5.776
  660   2HD   LYS  81          HD3       LYS  81   9.608  -8.174   5.627
  661   1HE   LYS  81          HE2       LYS  81   7.953  -6.559   4.862
  662   2HE   LYS  81          HE3       LYS  81   6.689  -7.787   4.959
  663   1HZ   LYS  81          HZ1       LYS  81   6.780  -6.263   6.895
  664   2HZ   LYS  81          HZ2       LYS  81   8.310  -6.881   7.274
  665   3HZ   LYS  81          HZ3       LYS  81   6.953  -7.896   7.315
  666    H    LYS  82           HN       LYS  82   9.354 -10.235   0.154
  667    HA   LYS  82           HA       LYS  82   6.744  -9.506  -0.894
  668   1HB   LYS  82          HB2       LYS  82   8.379 -12.004  -1.378
  669   2HB   LYS  82          HB3       LYS  82   6.997 -11.451  -2.316
  670   1HG   LYS  82          HG2       LYS  82   8.245  -9.507  -3.053
  671   2HG   LYS  82          HG3       LYS  82   9.620 -10.000  -2.064
  672   1HD   LYS  82          HD2       LYS  82   9.791 -12.072  -3.385
  673   2HD   LYS  82          HD3       LYS  82   8.457 -11.510  -4.391
  674   1HE   LYS  82          HE2       LYS  82   9.789  -9.527  -5.000
  675   2HE   LYS  82          HE3       LYS  82  11.129 -10.158  -4.047
  676   1HZ   LYS  82          HZ1       LYS  82   9.984 -11.268  -6.545
  677   2HZ   LYS  82          HZ2       LYS  82  11.005 -12.176  -5.539
  678   3HZ   LYS  82          HZ3       LYS  82  11.573 -10.746  -6.256
  679    H    SER  83           HN       SER  83   4.982  -9.972   0.227
  680    HA   SER  83           HA       SER  83   4.765 -12.584   1.527
  681   1HB   SER  83          HB2       SER  83   4.047  -9.988   2.916
  682   2HB   SER  83          HB3       SER  83   3.870 -11.613   3.580
  683    HG   SER  83           HG       SER  83   6.372 -11.404   2.818
  684    H    THR  84           HN       THR  84   2.485 -13.102   2.059
  685    HA   THR  84           HA       THR  84   0.558 -11.523   0.493
  686    HB   THR  84           HB       THR  84   0.528 -14.546   0.678
  687    HG1  THR  84           HG1      THR  84   1.844 -14.546  -0.989
  688   1HG2  THR  84          HG21      THR  84  -1.665 -13.593   0.284
  689   2HG2  THR  84          HG22      THR  84  -1.075 -14.346  -1.200
  690   3HG2  THR  84          HG23      THR  84  -1.024 -12.591  -1.019
  691    H    ASN  85           HN       ASN  85  -0.891 -10.698   1.866
  692    HA   ASN  85           HA       ASN  85  -1.968 -12.287   4.032
  693   1HB   ASN  85          HB2       ASN  85   0.253 -10.966   4.726
  694   2HB   ASN  85          HB3       ASN  85  -0.908  -9.665   4.877
  695   1HD2  ASN  85          HD21      ASN  85   0.631 -10.938   6.951
  696   2HD2  ASN  85          HD22      ASN  85  -0.508 -11.573   8.084
  697    H    LYS  86           HN       LYS  86  -3.551 -10.862   5.321
  698    HA   LYS  86           HA       LYS  86  -5.311  -9.512   3.491
  699   1HB   LYS  86          HB2       LYS  86  -5.542  -9.223   6.466
  700   2HB   LYS  86          HB3       LYS  86  -6.818  -9.343   5.271
  701   1HG   LYS  86          HG2       LYS  86  -5.072 -11.688   5.915
  702   2HG   LYS  86          HG3       LYS  86  -6.463 -11.273   6.906
  703   1HD   LYS  86          HD2       LYS  86  -7.898 -11.442   4.918
  704   2HD   LYS  86          HD3       LYS  86  -6.489 -11.938   3.966
  705   1HE   LYS  86          HE2       LYS  86  -6.163 -13.860   5.444
  706   2HE   LYS  86          HE3       LYS  86  -7.552 -13.366   6.404
  707   1HZ   LYS  86          HZ1       LYS  86  -8.318 -15.048   4.993
  708   2HZ   LYS  86          HZ2       LYS  86  -7.516 -14.426   3.637
  709   3HZ   LYS  86          HZ3       LYS  86  -8.872 -13.620   4.270
  710    H    PHE  87           HN       PHE  87  -6.091  -7.202   4.162
  711    HA   PHE  87           HA       PHE  87  -4.326  -5.766   5.903
  712   1HB   PHE  87          HB2       PHE  87  -3.740  -3.969   4.303
  713   2HB   PHE  87          HB3       PHE  87  -2.996  -5.514   3.923
  714    HD1  PHE  87           HD1      PHE  87  -3.221  -6.438   1.784
  715    HD2  PHE  87           HD2      PHE  87  -5.814  -3.291   2.994
  716    HE1  PHE  87           HE1      PHE  87  -4.115  -6.297  -0.505
  717    HE2  PHE  87           HE2      PHE  87  -6.708  -3.149   0.709
  718    HZ   PHE  87           HZ       PHE  87  -5.730  -4.582  -1.091
  719    H    CYS  88           HN       CYS  88  -5.232  -3.962   6.791
  720    HA   CYS  88           HA       CYS  88  -8.075  -3.628   6.172
  721   1HB   CYS  88          HB2       CYS  88  -7.031  -4.020   8.594
  722   2HB   CYS  88          HB3       CYS  88  -6.740  -2.291   8.494
  723    H    VAL  89           HN       VAL  89  -8.663  -1.972   4.951
  724    HA   VAL  89           HA       VAL  89  -6.848   0.339   4.777
  725    HB   VAL  89           HB       VAL  89  -8.087   0.851   2.620
  726   1HG1  VAL  89          HG11      VAL  89  -5.845  -0.066   2.629
  727   2HG1  VAL  89          HG12      VAL  89  -6.488  -1.700   2.786
  728   3HG1  VAL  89          HG13      VAL  89  -6.785  -0.773   1.315
  729   1HG2  VAL  89          HG21      VAL  89 -10.057  -0.542   2.973
  730   2HG2  VAL  89          HG22      VAL  89  -9.213  -1.039   1.504
  731   3HG2  VAL  89          HG23      VAL  89  -9.051  -1.992   2.981
  732    H    THR  90           HN       THR  90  -7.630   2.389   5.064
  733    HA   THR  90           HA       THR  90 -10.170   2.614   6.419
  734    HB   THR  90           HB       THR  90  -8.262   4.816   5.590
  735    HG1  THR  90           HG1      THR  90  -8.442   3.298   8.004
  736   1HG2  THR  90          HG21      THR  90 -10.544   5.570   6.150
  737   2HG2  THR  90          HG22      THR  90  -9.357   6.122   7.335
  738   3HG2  THR  90          HG23      THR  90 -10.414   4.760   7.711
  739    H    CYS  91           HN       CYS  91 -11.925   2.520   5.123
  740    HA   CYS  91           HA       CYS  91 -11.789   3.629   2.431
  741   1HB   CYS  91          HB2       CYS  91 -13.999   2.120   3.831
  742   2HB   CYS  91          HB3       CYS  91 -13.946   2.522   2.117
  743    H    GLU  92           HN       GLU  92 -12.572   5.542   1.881
  744    HA   GLU  92           HA       GLU  92 -14.911   6.572   3.286
  745   1HB   GLU  92          HB2       GLU  92 -12.831   7.629   4.281
  746   2HB   GLU  92          HB3       GLU  92 -12.560   8.356   2.705
  747   1HG   GLU  92          HG2       GLU  92 -14.796   9.414   2.869
  748   2HG   GLU  92          HG3       GLU  92 -14.921   8.786   4.506
  749    H    ASN  93           HN       ASN  93 -16.363   7.389   1.912
  750    HA   ASN  93           HA       ASN  93 -17.421   7.821  -0.048
  751   1HB   ASN  93          HB2       ASN  93 -14.771   9.164  -0.543
  752   2HB   ASN  93          HB3       ASN  93 -16.034   9.159  -1.772
  753   1HD2  ASN  93          HD21      ASN  93 -14.976  10.460   1.224
  754   2HD2  ASN  93          HD22      ASN  93 -16.266  11.598   1.434
  755    H    GLN  94           HN       GLN  94 -16.235   5.283   0.263
  756    HA   GLN  94           HA       GLN  94 -16.017   3.361  -0.902
  757   1HB   GLN  94          HB2       GLN  94 -16.837   5.096  -3.230
  758   2HB   GLN  94          HB3       GLN  94 -16.656   3.349  -3.318
  759   1HG   GLN  94          HG2       GLN  94 -18.379   3.103  -1.591
  760   2HG   GLN  94          HG3       GLN  94 -18.578   4.852  -1.565
  761   1HE2  GLN  94          HE21      GLN  94 -17.920   3.146  -4.499
  762   2HE2  GLN  94          HE22      GLN  94 -19.483   3.353  -5.206
  763    H    ALA  95           HN       ALA  95 -13.770   5.274  -0.594
  764    HA   ALA  95           HA       ALA  95 -11.990   3.828  -2.405
  765   1HB   ALA  95          HB1       ALA  95 -11.882   6.822  -2.033
  766   2HB   ALA  95          HB2       ALA  95 -10.733   5.847  -2.950
  767   3HB   ALA  95          HB3       ALA  95 -12.407   5.978  -3.490
  768    HA   PRO  96           HA       PRO  96  -9.600   3.420   1.368
  769   1HB   PRO  96          HB2       PRO  96  -7.426   2.718  -0.488
  770   2HB   PRO  96          HB3       PRO  96  -8.140   1.766   0.814
  771   1HG   PRO  96          HG2       PRO  96  -8.552   1.210  -1.802
  772   2HG   PRO  96          HG3       PRO  96  -9.750   0.870  -0.545
  773   1HD   PRO  96          HD2       PRO  96  -9.700   3.041  -2.566
  774   2HD   PRO  96          HD3       PRO  96 -11.079   2.188  -1.855
  775    H    VAL  97           HN       VAL  97  -9.038   5.358   2.202
  776    HA   VAL  97           HA       VAL  97  -7.275   7.089   0.599
  777    HB   VAL  97           HB       VAL  97  -8.025   8.939   2.078
  778   1HG1  VAL  97          HG11      VAL  97 -10.208   7.428   0.645
  779   2HG1  VAL  97          HG12      VAL  97 -10.299   9.119   1.139
  780   3HG1  VAL  97          HG13      VAL  97  -9.110   8.614  -0.062
  781   1HG2  VAL  97          HG21      VAL  97  -9.940   6.869   3.144
  782   2HG2  VAL  97          HG22      VAL  97  -8.604   7.603   4.035
  783   3HG2  VAL  97          HG23      VAL  97  -9.971   8.592   3.518
  784    H    HIS  98           HN       HIS  98  -7.354   5.118   3.343
  785    HA   HIS  98           HA       HIS  98  -4.691   6.039   4.097
  786   1HB   HIS  98          HB2       HIS  98  -6.985   5.748   6.047
  787   2HB   HIS  98          HB3       HIS  98  -5.301   5.848   6.531
  788    HD1  HIS  98           HD1      HIS  98  -4.071   8.166   5.808
  789    HD2  HIS  98           HD2      HIS  98  -8.229   8.151   5.786
  790    HE1  HIS  98           HE1      HIS  98  -4.760  10.590   5.803
  791    HE2  HIS  98           HE2      HIS  98  -7.281  10.556   5.696
  792    H    PHE  99           HN       PHE  99  -3.435   4.419   5.149
  793    HA   PHE  99           HA       PHE  99  -4.536   1.715   4.785
  794   1HB   PHE  99          HB2       PHE  99  -2.556   2.362   3.368
  795   2HB   PHE  99          HB3       PHE  99  -1.615   2.499   4.849
  796    HD1  PHE  99           HD1      PHE  99  -0.612   0.635   5.804
  797    HD2  PHE  99           HD2      PHE  99  -3.598   0.105   2.816
  798    HE1  PHE  99           HE1      PHE  99  -0.091  -1.766   5.717
  799    HE2  PHE  99           HE2      PHE  99  -3.081  -2.300   2.724
  800    HZ   PHE  99           HZ       PHE  99  -1.345  -3.240   4.135
  801    H    VAL 100           HN       VAL 100  -4.874   0.551   6.548
  802    HA   VAL 100           HA       VAL 100  -4.061   1.617   9.115
  803    HB   VAL 100           HB       VAL 100  -5.722  -0.817   8.453
  804   1HG1  VAL 100          HG11      VAL 100  -4.751  -1.044  10.638
  805   2HG1  VAL 100          HG12      VAL 100  -5.253   0.593  11.072
  806   3HG1  VAL 100          HG13      VAL 100  -6.465  -0.659  10.803
  807   1HG2  VAL 100          HG21      VAL 100  -6.813   1.203   7.677
  808   2HG2  VAL 100          HG22      VAL 100  -7.641   0.598   9.111
  809   3HG2  VAL 100          HG23      VAL 100  -6.550   1.976   9.239
  810    H    GLY 101           HN       GLY 101  -3.945  -1.682   7.732
  811   1HA   GLY 101          HA1       GLY 101  -1.194  -2.082   8.113
  812   2HA   GLY 101          HA2       GLY 101  -2.031  -2.661   9.547
  813    H    VAL 102           HN       VAL 102  -0.711  -4.562   8.324
  814    HA   VAL 102           HA       VAL 102  -2.517  -5.814   6.388
  815    HB   VAL 102           HB       VAL 102  -0.799  -7.045   5.533
  816   1HG1  VAL 102          HG11      VAL 102  -0.314  -4.728   5.107
  817   2HG1  VAL 102          HG12      VAL 102   0.604  -4.615   6.609
  818   3HG1  VAL 102          HG13      VAL 102   1.187  -5.634   5.294
  819   1HG2  VAL 102          HG21      VAL 102   1.282  -7.634   6.674
  820   2HG2  VAL 102          HG22      VAL 102   0.739  -6.755   8.106
  821   3HG2  VAL 102          HG23      VAL 102  -0.139  -8.189   7.561
  822    H    GLY 103           HN       GLY 103  -3.045  -8.047   6.581
  823   1HA   GLY 103          HA1       GLY 103  -3.430 -10.036   7.748
  824   2HA   GLY 103          HA2       GLY 103  -2.667  -9.333   9.167
  825    H    SER 104           HN       SER 104  -3.984  -7.228   9.810
  826    HA   SER 104           HA       SER 104  -6.798  -7.260   9.527
  827   1HB   SER 104          HB2       SER 104  -7.215  -7.771  11.975
  828   2HB   SER 104          HB3       SER 104  -6.761  -9.155  10.988
  829    HG   SER 104           HG       SER 104  -4.507  -8.312  11.809
  830    H    CYS 105           HN       CYS 105  -7.714  -5.676  11.291
  831    HA   CYS 105           HA       CYS 105  -5.645  -3.670  11.797
  832   1HB   CYS 105          HB2       CYS 105  -7.718  -2.082  11.842
  833   2HB   CYS 105          HB3       CYS 105  -6.958  -2.560  10.331
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1  -3.778  13.706   6.679
    2   2H    MET   1           H2       MET   1  -4.151  15.357   6.570
    3   3H    MET   1           H3       MET   1  -2.781  14.741   5.786
    4    HA   MET   1           HA       MET   1  -5.584  14.045   5.159
    5   1HB   MET   1          HB2       MET   1  -5.112  16.303   4.436
    6   2HB   MET   1          HB3       MET   1  -3.587  15.800   3.718
    7   1HG   MET   1          HG2       MET   1  -4.843  14.402   2.119
    8   2HG   MET   1          HG3       MET   1  -6.346  15.017   2.804
    9   1HE   MET   1          HE1       MET   1  -7.054  15.686   0.293
   10   2HE   MET   1          HE2       MET   1  -6.072  16.720  -0.745
   11   3HE   MET   1          HE3       MET   1  -5.497  15.111  -0.303
   12    H    GLN   2           HN       GLN   2  -5.868  12.330   3.885
   13    HA   GLN   2           HA       GLN   2  -3.837  11.443   2.062
   14   1HB   GLN   2          HB2       GLN   2  -3.215  10.373   4.295
   15   2HB   GLN   2          HB3       GLN   2  -4.717   9.468   4.174
   16   1HG   GLN   2          HG2       GLN   2  -3.961   8.418   2.132
   17   2HG   GLN   2          HG3       GLN   2  -2.485   9.382   2.155
   18   1HE2  GLN   2          HE21      GLN   2  -0.879   8.910   3.668
   19   2HE2  GLN   2          HE22      GLN   2  -0.844   7.410   4.530
   20    H    ASP   3           HN       ASP   3  -4.812  10.485   0.336
   21    HA   ASP   3           HA       ASP   3  -7.653   9.791   0.562
   22   1HB   ASP   3          HB2       ASP   3  -8.325  11.271  -1.149
   23   2HB   ASP   3          HB3       ASP   3  -7.250  12.243  -0.148
   24    H    TRP   4           HN       TRP   4  -8.291   9.265  -1.960
   25    HA   TRP   4           HA       TRP   4  -7.120   6.762  -2.383
   26   1HB   TRP   4          HB2       TRP   4  -9.405   7.292  -3.073
   27   2HB   TRP   4          HB3       TRP   4  -8.794   8.418  -4.282
   28    HD1  TRP   4           HD1      TRP   4  -9.089   7.375  -6.591
   29    HE1  TRP   4           HE1      TRP   4  -8.744   5.039  -7.634
   30    HE3  TRP   4           HE3      TRP   4  -7.705   4.804  -2.395
   31    HZ2  TRP   4           HZ2      TRP   4  -7.981   2.470  -6.783
   32    HZ3  TRP   4           HZ3      TRP   4  -7.196   2.403  -2.594
   33    HH2  TRP   4           HH2      TRP   4  -7.321   1.270  -4.748
   34    H    LEU   5           HN       LEU   5  -6.539   9.871  -3.997
   35    HA   LEU   5           HA       LEU   5  -4.853   8.791  -6.007
   36   1HB   LEU   5          HB2       LEU   5  -5.207  11.573  -4.918
   37   2HB   LEU   5          HB3       LEU   5  -4.060  11.208  -6.190
   38    HG   LEU   5           HG       LEU   5  -6.057  12.099  -7.170
   39   1HD1  LEU   5          HD11      LEU   5  -4.939  10.379  -8.445
   40   2HD1  LEU   5          HD12      LEU   5  -5.867   9.129  -7.616
   41   3HD1  LEU   5          HD13      LEU   5  -6.683  10.271  -8.685
   42   1HD2  LEU   5          HD21      LEU   5  -7.631  11.566  -5.376
   43   2HD2  LEU   5          HD22      LEU   5  -8.236  11.060  -6.954
   44   3HD2  LEU   5          HD23      LEU   5  -7.572   9.865  -5.839
   45    H    THR   6           HN       THR   6  -4.262  10.185  -2.825
   46    HA   THR   6           HA       THR   6  -1.422  10.045  -2.962
   47    HB   THR   6           HB       THR   6  -3.232  10.079  -0.529
   48    HG1  THR   6           HG1      THR   6  -3.684  11.957  -1.502
   49   1HG2  THR   6          HG21      THR   6  -0.332  10.871  -0.810
   50   2HG2  THR   6          HG22      THR   6  -0.928   9.417  -0.008
   51   3HG2  THR   6          HG23      THR   6  -1.311  11.008   0.651
   52    H    PHE   7           HN       PHE   7  -3.957   7.931  -1.780
   53    HA   PHE   7           HA       PHE   7  -2.405   5.931  -0.584
   54   1HB   PHE   7          HB2       PHE   7  -4.907   6.241  -0.434
   55   2HB   PHE   7          HB3       PHE   7  -5.034   5.596  -2.062
   56    HD1  PHE   7           HD1      PHE   7  -4.778   4.827   1.434
   57    HD2  PHE   7           HD2      PHE   7  -4.309   3.243  -2.488
   58    HE1  PHE   7           HE1      PHE   7  -4.889   2.544   2.347
   59    HE2  PHE   7           HE2      PHE   7  -4.435   0.956  -1.583
   60    HZ   PHE   7           HZ       PHE   7  -4.806   0.626   0.879
   61    H    GLN   8           HN       GLN   8  -3.546   6.336  -3.908
   62    HA   GLN   8           HA       GLN   8  -2.745   3.888  -4.942
   63   1HB   GLN   8          HB2       GLN   8  -3.443   6.520  -6.027
   64   2HB   GLN   8          HB3       GLN   8  -2.399   5.548  -7.053
   65   1HG   GLN   8          HG2       GLN   8  -4.032   3.703  -6.904
   66   2HG   GLN   8          HG3       GLN   8  -5.088   4.754  -5.960
   67   1HE2  GLN   8          HE21      GLN   8  -6.145   6.441  -6.973
   68   2HE2  GLN   8          HE22      GLN   8  -6.281   6.553  -8.694
   69    H    LYS   9           HN       LYS   9  -0.974   6.990  -5.289
   70    HA   LYS   9           HA       LYS   9   1.183   5.907  -6.681
   71   1HB   LYS   9          HB2       LYS   9   1.143   8.279  -4.814
   72   2HB   LYS   9          HB3       LYS   9   2.396   7.943  -5.999
   73   1HG   LYS   9          HG2       LYS   9   0.919   8.331  -7.807
   74   2HG   LYS   9          HG3       LYS   9  -0.487   8.356  -6.738
   75   1HD   LYS   9          HD2       LYS   9   0.268  10.379  -5.697
   76   2HD   LYS   9          HD3       LYS   9   1.789  10.323  -6.586
   77   1HE   LYS   9          HE2       LYS   9  -0.958  10.708  -7.770
   78   2HE   LYS   9          HE3       LYS   9   0.271  11.955  -7.563
   79   1HZ   LYS   9          HZ1       LYS   9   0.451  11.297  -9.779
   80   2HZ   LYS   9          HZ2       LYS   9   0.284   9.653  -9.415
   81   3HZ   LYS   9          HZ3       LYS   9   1.719  10.465  -9.015
   82    H    LYS  10           HN       LYS  10   0.536   6.030  -3.277
   83    HA   LYS  10           HA       LYS  10   3.277   5.327  -2.588
   84   1HB   LYS  10          HB2       LYS  10   0.889   6.092  -0.915
   85   2HB   LYS  10          HB3       LYS  10   2.454   5.674  -0.238
   86   1HG   LYS  10          HG2       LYS  10   3.478   7.566  -1.315
   87   2HG   LYS  10          HG3       LYS  10   1.983   7.930  -2.180
   88   1HD   LYS  10          HD2       LYS  10   0.889   8.217   0.076
   89   2HD   LYS  10          HD3       LYS  10   2.505   8.133   0.778
   90   1HE   LYS  10          HE2       LYS  10   1.721  10.106  -1.355
   91   2HE   LYS  10          HE3       LYS  10   1.610  10.451   0.367
   92   1HZ   LYS  10          HZ1       LYS  10   3.664  11.263  -0.709
   93   2HZ   LYS  10          HZ2       LYS  10   4.123   9.658  -0.997
   94   3HZ   LYS  10          HZ3       LYS  10   3.951  10.217   0.591
   95    H    HIS  11           HN       HIS  11   0.377   3.617  -3.171
   96    HA   HIS  11           HA       HIS  11   1.458   1.369  -1.613
   97   1HB   HIS  11          HB2       HIS  11  -1.370   2.387  -1.465
   98   2HB   HIS  11          HB3       HIS  11  -0.903   0.778  -0.925
   99    HD1  HIS  11           HD1      HIS  11   1.305   0.965   0.859
  100    HD2  HIS  11           HD2      HIS  11  -1.369   4.141   0.571
  101    HE1  HIS  11           HE1      HIS  11   1.606   2.296   2.969
  102    HE2  HIS  11           HE2      HIS  11  -0.155   4.097   2.862
  103    H    ILE  12           HN       ILE  12   0.262   2.366  -4.579
  104    HA   ILE  12           HA       ILE  12  -0.626  -0.365  -5.232
  105    HB   ILE  12           HB       ILE  12  -1.093   2.205  -6.759
  106   1HG1  ILE  12          HG12      ILE  12  -2.402   2.118  -4.709
  107   2HG1  ILE  12          HG13      ILE  12  -3.451   1.908  -6.105
  108   1HG2  ILE  12          HG21      ILE  12  -2.628   0.875  -8.144
  109   2HG2  ILE  12          HG22      ILE  12  -0.957   0.324  -8.279
  110   3HG2  ILE  12          HG23      ILE  12  -2.107  -0.583  -7.297
  111   1HD1  ILE  12          HD11      ILE  12  -2.450  -0.285  -4.301
  112   2HD1  ILE  12          HD12      ILE  12  -4.067   0.421  -4.288
  113   3HD1  ILE  12          HD13      ILE  12  -3.515  -0.492  -5.692
  114    H    THR  13           HN       THR  13   0.883  -1.607  -6.136
  115    HA   THR  13           HA       THR  13   2.635  -0.379  -8.148
  116    HB   THR  13           HB       THR  13   3.911  -0.822  -6.021
  117    HG1  THR  13           HG1      THR  13   5.378  -0.862  -7.539
  118   1HG2  THR  13          HG21      THR  13   3.351  -3.702  -6.735
  119   2HG2  THR  13          HG22      THR  13   2.850  -2.861  -5.268
  120   3HG2  THR  13          HG23      THR  13   4.562  -3.169  -5.568
  121    H    ASN  14           HN       ASN  14   3.332  -1.797  -9.822
  122    HA   ASN  14           HA       ASN  14   1.435  -4.002 -10.260
  123   1HB   ASN  14          HB2       ASN  14   1.733  -3.599 -12.661
  124   2HB   ASN  14          HB3       ASN  14   1.197  -2.138 -11.841
  125   1HD2  ASN  14          HD21      ASN  14   3.773  -3.677 -13.558
  126   2HD2  ASN  14          HD22      ASN  14   4.773  -2.273 -13.738
  127    H    THR  15           HN       THR  15   4.242  -3.855  -9.011
  128    HA   THR  15           HA       THR  15   5.253  -6.200 -10.437
  129    HB   THR  15           HB       THR  15   6.559  -4.276 -11.248
  130    HG1  THR  15           HG1      THR  15   7.568  -6.476 -10.099
  131   1HG2  THR  15          HG21      THR  15   6.345  -2.809  -9.296
  132   2HG2  THR  15          HG22      THR  15   8.032  -3.025  -9.760
  133   3HG2  THR  15          HG23      THR  15   7.383  -3.894  -8.368
  134    H    ARG  16           HN       ARG  16   5.960  -7.805  -9.111
  135    HA   ARG  16           HA       ARG  16   5.322  -7.741  -6.370
  136   1HB   ARG  16          HB2       ARG  16   6.971  -9.642  -8.020
  137   2HB   ARG  16          HB3       ARG  16   6.741  -9.870  -6.292
  138   1HG   ARG  16          HG2       ARG  16   4.518  -9.696  -8.311
  139   2HG   ARG  16          HG3       ARG  16   5.179 -11.195  -7.650
  140   1HD   ARG  16          HD2       ARG  16   4.056  -8.998  -5.935
  141   2HD   ARG  16          HD3       ARG  16   3.069 -10.319  -6.554
  142    HE   ARG  16           HE       ARG  16   4.758 -11.796  -5.327
  143   1HH1  ARG  16          HH12      ARG  16   3.991  -8.533  -4.284
  144   2HH1  ARG  16          HH11      ARG  16   4.197  -8.882  -2.595
  145   1HH2  ARG  16          HH22      ARG  16   4.990 -12.271  -3.090
  146   2HH2  ARG  16          HH21      ARG  16   4.735 -11.007  -1.924
  147    H    ASP  17           HN       ASP  17   8.480  -7.612  -7.998
  148    HA   ASP  17           HA       ASP  17   9.690  -6.892  -5.433
  149   1HB   ASP  17          HB2       ASP  17  10.726  -8.658  -6.911
  150   2HB   ASP  17          HB3       ASP  17  11.101  -7.379  -8.060
  151    H    VAL  18           HN       VAL  18   8.721  -4.820  -5.329
  152    HA   VAL  18           HA       VAL  18   9.257  -2.852  -7.324
  153    HB   VAL  18           HB       VAL  18   7.309  -2.430  -6.069
  154   1HG1  VAL  18          HG11      VAL  18   8.958  -2.748  -3.570
  155   2HG1  VAL  18          HG12      VAL  18   7.316  -2.097  -3.598
  156   3HG1  VAL  18          HG13      VAL  18   7.615  -3.759  -4.111
  157   1HG2  VAL  18          HG21      VAL  18   7.776  -0.281  -4.889
  158   2HG2  VAL  18          HG22      VAL  18   9.498  -0.596  -5.128
  159   3HG2  VAL  18          HG23      VAL  18   8.435  -0.389  -6.523
  160    H    ASP  19           HN       ASP  19  11.057  -1.629  -7.585
  161    HA   ASP  19           HA       ASP  19  13.281  -2.104  -5.831
  162   1HB   ASP  19          HB2       ASP  19  13.533  -1.849  -8.322
  163   2HB   ASP  19          HB3       ASP  19  13.183  -0.134  -8.116
  164    H    CYS  20           HN       CYS  20  12.059  -1.263  -4.029
  165    HA   CYS  20           HA       CYS  20  11.447   1.371  -3.556
  166   1HB   CYS  20          HB2       CYS  20  12.334  -0.871  -1.790
  167   2HB   CYS  20          HB3       CYS  20  11.915   0.712  -1.131
  168    H    ASP  21           HN       ASP  21  14.616  -0.084  -3.636
  169    HA   ASP  21           HA       ASP  21  16.124   1.745  -2.210
  170   1HB   ASP  21          HB2       ASP  21  16.774   0.245  -4.748
  171   2HB   ASP  21          HB3       ASP  21  17.955   1.248  -3.914
  172    H    ASN  22           HN       ASN  22  14.940   1.948  -5.521
  173    HA   ASN  22           HA       ASN  22  15.932   4.689  -5.764
  174   1HB   ASN  22          HB2       ASN  22  16.214   3.104  -7.651
  175   2HB   ASN  22          HB3       ASN  22  14.469   2.953  -7.763
  176   1HD2  ASN  22          HD21      ASN  22  14.304   3.733  -9.809
  177   2HD2  ASN  22          HD22      ASN  22  14.622   5.383 -10.227
  178    H    ILE  23           HN       ILE  23  12.901   2.887  -6.038
  179    HA   ILE  23           HA       ILE  23  11.252   5.049  -6.629
  180    HB   ILE  23           HB       ILE  23  10.606   2.406  -5.337
  181   1HG1  ILE  23          HG12      ILE  23  10.243   3.505  -8.132
  182   2HG1  ILE  23          HG13      ILE  23  11.452   2.329  -7.632
  183   1HG2  ILE  23          HG21      ILE  23   8.891   4.013  -4.675
  184   2HG2  ILE  23          HG22      ILE  23   8.663   4.476  -6.362
  185   3HG2  ILE  23          HG23      ILE  23   8.251   2.844  -5.830
  186   1HD1  ILE  23          HD11      ILE  23   9.616   1.271  -8.805
  187   2HD1  ILE  23          HD12      ILE  23   9.684   0.729  -7.129
  188   3HD1  ILE  23          HD13      ILE  23   8.473   1.911  -7.624
  189    H    LEU  24           HN       LEU  24  12.054   3.715  -3.401
  190    HA   LEU  24           HA       LEU  24  10.272   5.557  -2.096
  191   1HB   LEU  24          HB2       LEU  24  12.478   3.855  -0.938
  192   2HB   LEU  24          HB3       LEU  24  11.331   4.786   0.003
  193    HG   LEU  24           HG       LEU  24  10.720   2.390  -1.725
  194   1HD1  LEU  24          HD11      LEU  24  11.736   1.885   0.431
  195   2HD1  LEU  24          HD12      LEU  24  10.503   2.854   1.238
  196   3HD1  LEU  24          HD13      LEU  24  10.045   1.383   0.380
  197   1HD2  LEU  24          HD21      LEU  24   8.879   4.212  -0.199
  198   2HD2  LEU  24          HD22      LEU  24   8.880   3.905  -1.937
  199   3HD2  LEU  24          HD23      LEU  24   8.433   2.617  -0.812
  200    H    SER  25           HN       SER  25  13.342   5.814  -3.430
  201    HA   SER  25           HA       SER  25  14.387   7.734  -1.549
  202   1HB   SER  25          HB2       SER  25  15.885   6.208  -2.817
  203   2HB   SER  25          HB3       SER  25  15.403   7.009  -4.312
  204    HG   SER  25           HG       SER  25  16.139   8.933  -2.716
  205    H    THR  26           HN       THR  26  12.179   7.826  -4.075
  206    HA   THR  26           HA       THR  26  12.752  10.457  -5.051
  207    HB   THR  26           HB       THR  26  10.580  10.329  -6.169
  208    HG1  THR  26           HG1      THR  26  10.190   7.750  -5.042
  209   1HG2  THR  26          HG21      THR  26  12.478   9.228  -7.229
  210   2HG2  THR  26          HG22      THR  26  10.988   8.341  -7.547
  211   3HG2  THR  26          HG23      THR  26  12.128   7.743  -6.342
  212    H    ASN  27           HN       ASN  27  10.841  12.119  -4.927
  213    HA   ASN  27           HA       ASN  27  10.649  12.791  -2.132
  214   1HB   ASN  27          HB2       ASN  27  11.028  14.461  -3.990
  215   2HB   ASN  27          HB3       ASN  27   9.351  14.216  -4.467
  216   1HD2  ASN  27          HD21      ASN  27   7.733  15.153  -3.298
  217   2HD2  ASN  27          HD22      ASN  27   8.019  16.256  -1.991
  218    H    LEU  28           HN       LEU  28   8.846  10.935  -4.225
  219    HA   LEU  28           HA       LEU  28   6.209  11.420  -3.300
  220   1HB   LEU  28          HB2       LEU  28   6.648  10.290  -5.414
  221   2HB   LEU  28          HB3       LEU  28   7.444   8.974  -4.574
  222    HG   LEU  28           HG       LEU  28   5.311   8.333  -3.542
  223   1HD1  LEU  28          HD11      LEU  28   4.281  10.552  -3.472
  224   2HD1  LEU  28          HD12      LEU  28   4.114  10.525  -5.227
  225   3HD1  LEU  28          HD13      LEU  28   3.228   9.362  -4.237
  226   1HD2  LEU  28          HD21      LEU  28   5.169   8.623  -6.539
  227   2HD2  LEU  28          HD22      LEU  28   5.968   7.322  -5.658
  228   3HD2  LEU  28          HD23      LEU  28   4.216   7.505  -5.565
  229    H    PHE  29           HN       PHE  29   8.897   9.688  -2.005
  230    HA   PHE  29           HA       PHE  29   7.179   8.797   0.220
  231   1HB   PHE  29          HB2       PHE  29   9.573   7.324  -0.901
  232   2HB   PHE  29          HB3       PHE  29   8.637   6.837   0.511
  233    HD1  PHE  29           HD1      PHE  29   8.834   6.855  -3.089
  234    HD2  PHE  29           HD2      PHE  29   6.284   6.107   0.233
  235    HE1  PHE  29           HE1      PHE  29   7.309   5.601  -4.549
  236    HE2  PHE  29           HE2      PHE  29   4.751   4.852  -1.223
  237    HZ   PHE  29           HZ       PHE  29   5.261   4.597  -3.617
  238    H    HIS  30           HN       HIS  30  10.302   9.949  -0.860
  239    HA   HIS  30           HA       HIS  30  11.931  11.157   0.133
  240   1HB   HIS  30          HB2       HIS  30   9.779  12.387   0.961
  241   2HB   HIS  30          HB3       HIS  30  10.177  11.660   2.517
  242    HD1  HIS  30           HD1      HIS  30  11.972  12.780   3.878
  243    HD2  HIS  30           HD2      HIS  30  11.815  14.148  -0.049
  244    HE1  HIS  30           HE1      HIS  30  13.566  14.723   3.771
  245    HE2  HIS  30           HE2      HIS  30  13.320  15.646   1.437
  246    H    CYS  31           HN       CYS  31  11.786   8.399   0.503
  247    HA   CYS  31           HA       CYS  31  12.237   6.630   1.814
  248   1HB   CYS  31          HB2       CYS  31  14.534   6.816   2.889
  249   2HB   CYS  31          HB3       CYS  31  14.415   7.042   1.154
  250    H    LYS  32           HN       LYS  32  10.421   6.824   3.142
  251    HA   LYS  32           HA       LYS  32  10.670   7.786   5.831
  252   1HB   LYS  32          HB2       LYS  32   8.490   6.681   6.163
  253   2HB   LYS  32          HB3       LYS  32   8.492   7.715   4.744
  254   1HG   LYS  32          HG2       LYS  32   9.096   5.437   3.538
  255   2HG   LYS  32          HG3       LYS  32   8.285   4.764   4.951
  256   1HD   LYS  32          HD2       LYS  32   7.137   6.790   3.031
  257   2HD   LYS  32          HD3       LYS  32   6.713   5.080   3.109
  258   1HE   LYS  32          HE2       LYS  32   6.326   7.047   5.365
  259   2HE   LYS  32          HE3       LYS  32   5.070   6.601   4.216
  260   1HZ   LYS  32          HZ1       LYS  32   6.473   4.665   5.976
  261   2HZ   LYS  32          HZ2       LYS  32   5.127   4.361   4.999
  262   3HZ   LYS  32          HZ3       LYS  32   4.982   5.374   6.346
  263    H    ASP  33           HN       ASP  33   9.918   5.943   7.563
  264    HA   ASP  33           HA       ASP  33  12.169   4.286   7.924
  265   1HB   ASP  33          HB2       ASP  33  10.828   5.009   9.819
  266   2HB   ASP  33          HB3       ASP  33   9.422   4.156   9.193
  267    H    LYS  34           HN       LYS  34   8.844   3.454   6.947
  268    HA   LYS  34           HA       LYS  34   9.844   1.559   5.071
  269   1HB   LYS  34          HB2       LYS  34   8.511  -0.388   6.042
  270   2HB   LYS  34          HB3       LYS  34  10.053  -0.008   6.780
  271   1HG   LYS  34          HG2       LYS  34   8.537  -0.537   8.511
  272   2HG   LYS  34          HG3       LYS  34   8.811   1.202   8.574
  273   1HD   LYS  34          HD2       LYS  34   6.682   1.697   7.889
  274   2HD   LYS  34          HD3       LYS  34   6.492   0.176   7.012
  275   1HE   LYS  34          HE2       LYS  34   5.131   0.398   9.114
  276   2HE   LYS  34          HE3       LYS  34   6.150  -1.037   9.017
  277   1HZ   LYS  34          HZ1       LYS  34   6.793   1.451  10.511
  278   2HZ   LYS  34          HZ2       LYS  34   7.783   0.082  10.407
  279   3HZ   LYS  34          HZ3       LYS  34   6.290  -0.017  11.196
  280    H    ASN  35           HN       ASN  35   8.124   0.512   3.814
  281    HA   ASN  35           HA       ASN  35   5.476   1.678   4.020
  282   1HB   ASN  35          HB2       ASN  35   6.806   3.373   2.750
  283   2HB   ASN  35          HB3       ASN  35   7.148   2.152   1.540
  284   1HD2  ASN  35          HD21      ASN  35   5.560   1.538   0.113
  285   2HD2  ASN  35          HD22      ASN  35   4.081   2.420  -0.075
  286    H    THR  36           HN       THR  36   4.013   0.203   3.421
  287    HA   THR  36           HA       THR  36   4.931  -2.203   2.042
  288    HB   THR  36           HB       THR  36   2.248  -1.667   3.339
  289    HG1  THR  36           HG1      THR  36   4.195  -3.339   4.515
  290   1HG2  THR  36          HG21      THR  36   3.578  -4.243   2.488
  291   2HG2  THR  36          HG22      THR  36   2.190  -3.481   1.711
  292   3HG2  THR  36          HG23      THR  36   2.046  -4.118   3.349
  293    H    PHE  37           HN       PHE  37   4.542  -2.520  -0.059
  294    HA   PHE  37           HA       PHE  37   2.526  -0.851  -1.409
  295   1HB   PHE  37          HB2       PHE  37   4.760  -2.540  -2.562
  296   2HB   PHE  37          HB3       PHE  37   3.599  -1.630  -3.516
  297    HD1  PHE  37           HD1      PHE  37   6.347  -1.294  -1.044
  298    HD2  PHE  37           HD2      PHE  37   3.930   0.623  -3.982
  299    HE1  PHE  37           HE1      PHE  37   7.766   0.698  -0.909
  300    HE2  PHE  37           HE2      PHE  37   5.369   2.610  -3.864
  301    HZ   PHE  37           HZ       PHE  37   7.416   2.543  -2.442
  302    H    ILE  38           HN       ILE  38   1.026  -1.784  -2.824
  303    HA   ILE  38           HA       ILE  38   0.392  -4.595  -2.232
  304    HB   ILE  38           HB       ILE  38  -1.436  -2.395  -3.222
  305   1HG1  ILE  38          HG12      ILE  38  -1.467  -3.683  -0.495
  306   2HG1  ILE  38          HG13      ILE  38  -0.536  -2.227  -0.831
  307   1HG2  ILE  38          HG21      ILE  38  -2.112  -5.182  -2.271
  308   2HG2  ILE  38          HG22      ILE  38  -3.253  -3.952  -2.818
  309   3HG2  ILE  38          HG23      ILE  38  -2.099  -4.653  -3.953
  310   1HD1  ILE  38          HD11      ILE  38  -3.510  -2.500  -1.186
  311   2HD1  ILE  38          HD12      ILE  38  -2.702  -1.742   0.187
  312   3HD1  ILE  38          HD13      ILE  38  -2.549  -1.038  -1.421
  313    H    TYR  39           HN       TYR  39   0.880  -5.941  -3.831
  314    HA   TYR  39           HA       TYR  39   1.152  -5.023  -6.555
  315   1HB   TYR  39          HB2       TYR  39   2.704  -6.719  -5.827
  316   2HB   TYR  39          HB3       TYR  39   1.393  -7.768  -5.302
  317    HD1  TYR  39           HD1      TYR  39   2.642  -6.073  -8.388
  318    HD2  TYR  39           HD2      TYR  39   0.733  -9.478  -6.708
  319    HE1  TYR  39           HE1      TYR  39   2.645  -7.151 -10.595
  320    HE2  TYR  39           HE2      TYR  39   0.730 -10.568  -8.908
  321    HH   TYR  39           HH       TYR  39   0.906 -10.105 -11.191
  322    H    SER  40           HN       SER  40  -0.824  -4.323  -7.126
  323    HA   SER  40           HA       SER  40  -2.604  -6.141  -8.283
  324   1HB   SER  40          HB2       SER  40  -3.210  -6.449  -5.809
  325   2HB   SER  40          HB3       SER  40  -3.774  -4.782  -5.832
  326    HG   SER  40           HG       SER  40  -4.982  -7.039  -6.765
  327    H    ARG  41           HN       ARG  41  -4.812  -4.688  -8.673
  328    HA   ARG  41           HA       ARG  41  -3.723  -2.159  -9.666
  329   1HB   ARG  41          HB2       ARG  41  -6.080  -3.807 -10.523
  330   2HB   ARG  41          HB3       ARG  41  -5.891  -2.138 -11.031
  331   1HG   ARG  41          HG2       ARG  41  -3.928  -4.358 -11.532
  332   2HG   ARG  41          HG3       ARG  41  -5.039  -3.669 -12.719
  333   1HD   ARG  41          HD2       ARG  41  -3.967  -1.490 -12.447
  334   2HD   ARG  41          HD3       ARG  41  -2.864  -2.175 -11.257
  335    HE   ARG  41           HE       ARG  41  -2.376  -3.721 -13.382
  336   1HH1  ARG  41          HH12      ARG  41  -2.724  -0.244 -13.122
  337   2HH1  ARG  41          HH11      ARG  41  -1.550   0.098 -14.361
  338   1HH2  ARG  41          HH22      ARG  41  -0.812  -3.290 -14.996
  339   2HH2  ARG  41          HH21      ARG  41  -0.470  -1.645 -15.440
  340    HA   PRO  42           HA       PRO  42  -5.912   0.429  -6.935
  341   1HB   PRO  42          HB2       PRO  42  -6.921   2.280  -8.734
  342   2HB   PRO  42          HB3       PRO  42  -5.289   2.299  -8.068
  343   1HG   PRO  42          HG2       PRO  42  -6.260   1.305 -10.701
  344   2HG   PRO  42          HG3       PRO  42  -4.758   2.151 -10.306
  345   1HD   PRO  42          HD2       PRO  42  -4.841  -0.503 -10.750
  346   2HD   PRO  42          HD3       PRO  42  -3.725   0.228  -9.574
  347    H    GLU  43           HN       GLU  43  -7.647  -0.763  -9.765
  348    HA   GLU  43           HA       GLU  43 -10.189   0.178  -8.934
  349   1HB   GLU  43          HB2       GLU  43  -9.277  -1.788 -11.002
  350   2HB   GLU  43          HB3       GLU  43 -10.982  -1.533 -10.679
  351   1HG   GLU  43          HG2       GLU  43  -9.002   0.557 -11.556
  352   2HG   GLU  43          HG3       GLU  43 -10.256  -0.184 -12.550
  353    HA   PRO  44           HA       PRO  44 -10.963  -4.386  -7.426
  354   1HB   PRO  44          HB2       PRO  44  -8.688  -5.833  -6.913
  355   2HB   PRO  44          HB3       PRO  44  -9.627  -5.958  -8.400
  356   1HG   PRO  44          HG2       PRO  44  -7.128  -4.414  -7.857
  357   2HG   PRO  44          HG3       PRO  44  -7.573  -5.366  -9.287
  358   1HD   PRO  44          HD2       PRO  44  -7.750  -2.684  -9.267
  359   2HD   PRO  44          HD3       PRO  44  -8.912  -3.689 -10.139
  360    H    VAL  45           HN       VAL  45  -8.339  -2.343  -6.393
  361    HA   VAL  45           HA       VAL  45  -8.573  -3.214  -3.630
  362    HB   VAL  45           HB       VAL  45  -6.891  -1.028  -4.875
  363   1HG1  VAL  45          HG11      VAL  45  -5.750  -0.868  -2.717
  364   2HG1  VAL  45          HG12      VAL  45  -7.452  -0.428  -2.576
  365   3HG1  VAL  45          HG13      VAL  45  -6.901  -2.009  -2.022
  366   1HG2  VAL  45          HG21      VAL  45  -6.162  -3.733  -3.762
  367   2HG2  VAL  45          HG22      VAL  45  -6.180  -3.275  -5.465
  368   3HG2  VAL  45          HG23      VAL  45  -5.022  -2.529  -4.363
  369    H    LYS  46           HN       LYS  46  -9.580  -0.552  -5.683
  370    HA   LYS  46           HA       LYS  46 -10.748   0.995  -3.590
  371   1HB   LYS  46          HB2       LYS  46 -10.153   1.829  -5.908
  372   2HB   LYS  46          HB3       LYS  46 -11.566   0.966  -6.502
  373   1HG   LYS  46          HG2       LYS  46 -13.009   2.329  -5.098
  374   2HG   LYS  46          HG3       LYS  46 -11.600   3.173  -4.451
  375   1HD   LYS  46          HD2       LYS  46 -11.059   3.867  -6.796
  376   2HD   LYS  46          HD3       LYS  46 -12.621   3.208  -7.283
  377   1HE   LYS  46          HE2       LYS  46 -12.184   5.382  -5.241
  378   2HE   LYS  46          HE3       LYS  46 -12.722   5.626  -6.898
  379   1HZ   LYS  46          HZ1       LYS  46 -14.186   4.117  -4.800
  380   2HZ   LYS  46          HZ2       LYS  46 -14.703   4.317  -6.401
  381   3HZ   LYS  46          HZ3       LYS  46 -14.579   5.662  -5.376
  382    H    ALA  47           HN       ALA  47 -11.650  -1.806  -5.354
  383    HA   ALA  47           HA       ALA  47 -14.463  -1.691  -4.932
  384   1HB   ALA  47          HB1       ALA  47 -14.473  -4.002  -5.685
  385   2HB   ALA  47          HB2       ALA  47 -13.461  -3.008  -6.733
  386   3HB   ALA  47          HB3       ALA  47 -12.717  -4.071  -5.539
  387    H    ILE  48           HN       ILE  48 -11.824  -2.441  -2.914
  388    HA   ILE  48           HA       ILE  48 -13.144  -4.157  -1.076
  389    HB   ILE  48           HB       ILE  48 -10.893  -2.215  -0.504
  390   1HG1  ILE  48          HG12      ILE  48 -10.731  -5.127  -1.318
  391   2HG1  ILE  48          HG13      ILE  48 -10.444  -3.777  -2.408
  392   1HG2  ILE  48          HG21      ILE  48 -11.972  -3.081   1.501
  393   2HG2  ILE  48          HG22      ILE  48 -11.763  -4.733   0.917
  394   3HG2  ILE  48          HG23      ILE  48 -10.352  -3.755   1.323
  395   1HD1  ILE  48          HD11      ILE  48  -8.848  -4.453   0.046
  396   2HD1  ILE  48          HD12      ILE  48  -8.359  -4.698  -1.630
  397   3HD1  ILE  48          HD13      ILE  48  -8.571  -3.064  -1.005
  398    H    CYS  49           HN       CYS  49 -13.003  -0.714  -1.595
  399    HA   CYS  49           HA       CYS  49 -14.591  -0.199   0.808
  400   1HB   CYS  49          HB2       CYS  49 -13.175   1.655  -1.115
  401   2HB   CYS  49          HB3       CYS  49 -14.057   2.176   0.318
  402    H    LYS  50           HN       LYS  50 -15.487  -1.422  -1.819
  403    HA   LYS  50           HA       LYS  50 -17.210   0.314  -3.174
  404   1HB   LYS  50          HB2       LYS  50 -16.628  -1.901  -4.030
  405   2HB   LYS  50          HB3       LYS  50 -17.475  -2.660  -2.691
  406   1HG   LYS  50          HG2       LYS  50 -19.584  -1.649  -3.510
  407   2HG   LYS  50          HG3       LYS  50 -18.698  -1.026  -4.903
  408   1HD   LYS  50          HD2       LYS  50 -18.931  -3.943  -4.160
  409   2HD   LYS  50          HD3       LYS  50 -19.905  -3.131  -5.387
  410   1HE   LYS  50          HE2       LYS  50 -16.905  -3.460  -5.413
  411   2HE   LYS  50          HE3       LYS  50 -18.059  -4.353  -6.403
  412   1HZ   LYS  50          HZ1       LYS  50 -18.760  -2.102  -7.281
  413   2HZ   LYS  50          HZ2       LYS  50 -17.239  -2.664  -7.772
  414   3HZ   LYS  50          HZ3       LYS  50 -17.353  -1.481  -6.561
  415    H    GLY  51           HN       GLY  51 -18.781   1.472  -2.336
  416   1HA   GLY  51          HA1       GLY  51 -20.924   1.803  -1.521
  417   2HA   GLY  51          HA2       GLY  51 -20.925   0.157  -0.915
  418    H    ILE  52           HN       ILE  52 -18.193   2.037  -0.002
  419    HA   ILE  52           HA       ILE  52 -19.343   2.235   2.703
  420    HB   ILE  52           HB       ILE  52 -16.398   2.144   2.062
  421   1HG1  ILE  52          HG12      ILE  52 -17.484   0.076   1.248
  422   2HG1  ILE  52          HG13      ILE  52 -16.420  -0.226   2.611
  423   1HG2  ILE  52          HG21      ILE  52 -17.976   1.699   4.594
  424   2HG2  ILE  52          HG22      ILE  52 -16.234   1.465   4.437
  425   3HG2  ILE  52          HG23      ILE  52 -16.932   3.070   4.223
  426   1HD1  ILE  52          HD11      ILE  52 -18.464  -1.515   2.785
  427   2HD1  ILE  52          HD12      ILE  52 -18.358  -0.337   4.093
  428   3HD1  ILE  52          HD13      ILE  52 -19.417  -0.033   2.716
  429    H    ILE  53           HN       ILE  53 -20.143   4.296   2.658
  430    HA   ILE  53           HA       ILE  53 -18.558   6.451   1.550
  431    HB   ILE  53           HB       ILE  53 -21.216   6.565   2.964
  432   1HG1  ILE  53          HG12      ILE  53 -21.622   5.290   1.052
  433   2HG1  ILE  53          HG13      ILE  53 -22.017   6.923   0.555
  434   1HG2  ILE  53          HG21      ILE  53 -21.448   8.740   1.866
  435   2HG2  ILE  53          HG22      ILE  53 -20.093   8.698   2.995
  436   3HG2  ILE  53          HG23      ILE  53 -19.799   8.593   1.261
  437   1HD1  ILE  53          HD11      ILE  53 -20.803   5.869  -1.200
  438   2HD1  ILE  53          HD12      ILE  53 -19.774   7.101  -0.467
  439   3HD1  ILE  53          HD13      ILE  53 -19.517   5.395  -0.086
  440    H    ALA  54           HN       ALA  54 -20.078   5.826   4.710
  441    HA   ALA  54           HA       ALA  54 -18.594   7.798   6.087
  442   1HB   ALA  54          HB1       ALA  54 -20.715   6.921   6.942
  443   2HB   ALA  54          HB2       ALA  54 -19.964   5.345   7.191
  444   3HB   ALA  54          HB3       ALA  54 -19.418   6.740   8.124
  445    H    SER  55           HN       SER  55 -16.671   7.728   7.079
  446    HA   SER  55           HA       SER  55 -14.637   6.084   6.335
  447   1HB   SER  55          HB2       SER  55 -14.589   7.220   9.076
  448   2HB   SER  55          HB3       SER  55 -13.400   7.351   7.780
  449    HG   SER  55           HG       SER  55 -14.296   9.136   7.165
  450    H    LYS  56           HN       LYS  56 -14.714   3.914   6.497
  451    HA   LYS  56           HA       LYS  56 -14.990   2.781   9.200
  452   1HB   LYS  56          HB2       LYS  56 -17.054   2.338   7.894
  453   2HB   LYS  56          HB3       LYS  56 -16.082   1.552   6.658
  454   1HG   LYS  56          HG2       LYS  56 -15.288   0.080   8.695
  455   2HG   LYS  56          HG3       LYS  56 -16.829   0.608   9.377
  456   1HD   LYS  56          HD2       LYS  56 -16.440  -0.788   6.729
  457   2HD   LYS  56          HD3       LYS  56 -17.059  -1.524   8.205
  458   1HE   LYS  56          HE2       LYS  56 -18.362   0.800   6.806
  459   2HE   LYS  56          HE3       LYS  56 -18.803  -0.884   6.536
  460   1HZ   LYS  56          HZ1       LYS  56 -18.958   0.554   9.136
  461   2HZ   LYS  56          HZ2       LYS  56 -19.368  -1.073   8.878
  462   3HZ   LYS  56          HZ3       LYS  56 -20.272   0.158   8.133
  463    H    ASN  57           HN       ASN  57 -13.341   1.479   9.757
  464    HA   ASN  57           HA       ASN  57 -11.286   0.831   7.833
  465   1HB   ASN  57          HB2       ASN  57 -11.648   0.132  10.754
  466   2HB   ASN  57          HB3       ASN  57 -10.276  -0.411   9.796
  467   1HD2  ASN  57          HD21      ASN  57 -10.391   1.326  12.152
  468   2HD2  ASN  57          HD22      ASN  57  -9.605   2.793  11.684
  469    H    VAL  58           HN       VAL  58 -11.547  -0.803   6.436
  470    HA   VAL  58           HA       VAL  58 -13.109  -3.125   7.362
  471    HB   VAL  58           HB       VAL  58 -13.872  -3.535   5.156
  472   1HG1  VAL  58          HG11      VAL  58 -14.029  -0.582   5.707
  473   2HG1  VAL  58          HG12      VAL  58 -15.052  -1.455   4.567
  474   3HG1  VAL  58          HG13      VAL  58 -15.134  -1.826   6.288
  475   1HG2  VAL  58          HG21      VAL  58 -11.862  -3.097   3.904
  476   2HG2  VAL  58          HG22      VAL  58 -13.205  -2.185   3.214
  477   3HG2  VAL  58          HG23      VAL  58 -12.008  -1.369   4.220
  478    H    LEU  59           HN       LEU  59 -12.294  -5.134   7.132
  479    HA   LEU  59           HA       LEU  59  -9.482  -5.338   6.353
  480   1HB   LEU  59          HB2       LEU  59 -10.348  -6.038   8.637
  481   2HB   LEU  59          HB3       LEU  59 -11.198  -7.325   7.828
  482    HG   LEU  59           HG       LEU  59  -8.953  -7.824   8.988
  483   1HD1  LEU  59          HD11      LEU  59  -9.435  -8.739   6.167
  484   2HD1  LEU  59          HD12      LEU  59  -8.405  -9.537   7.356
  485   3HD1  LEU  59          HD13      LEU  59 -10.145  -9.434   7.624
  486   1HD2  LEU  59          HD21      LEU  59  -7.718  -5.980   8.008
  487   2HD2  LEU  59          HD22      LEU  59  -6.993  -7.536   7.593
  488   3HD2  LEU  59          HD23      LEU  59  -7.958  -6.667   6.398
  489    H    THR  60           HN       THR  60  -8.828  -6.780   4.752
  490    HA   THR  60           HA       THR  60 -10.845  -7.340   2.778
  491    HB   THR  60           HB       THR  60  -8.936  -8.200   1.418
  492    HG1  THR  60           HG1      THR  60  -7.270  -8.815   2.560
  493   1HG2  THR  60          HG21      THR  60  -7.816  -6.024   1.168
  494   2HG2  THR  60          HG22      THR  60  -8.550  -5.487   2.681
  495   3HG2  THR  60          HG23      THR  60  -9.569  -5.856   1.289
  496    H    THR  61           HN       THR  61 -11.505  -9.285   1.993
  497    HA   THR  61           HA       THR  61 -11.701 -11.383   3.900
  498    HB   THR  61           HB       THR  61 -12.858 -12.532   1.925
  499    HG1  THR  61           HG1      THR  61 -13.114 -11.355   0.093
  500   1HG2  THR  61          HG21      THR  61 -14.817 -11.035   2.105
  501   2HG2  THR  61          HG22      THR  61 -13.791  -9.822   2.877
  502   3HG2  THR  61          HG23      THR  61 -14.089 -11.368   3.677
  503    H    SER  62           HN       SER  62  -9.473 -10.717   1.411
  504    HA   SER  62           HA       SER  62  -8.374 -13.429   1.582
  505   1HB   SER  62          HB2       SER  62  -8.591 -11.830  -0.980
  506   2HB   SER  62          HB3       SER  62  -7.969 -13.471  -0.809
  507    HG   SER  62           HG       SER  62 -10.460 -12.715  -1.259
  508    H    GLU  63           HN       GLU  63  -6.082 -13.534   0.978
  509    HA   GLU  63           HA       GLU  63  -4.651 -11.195   1.899
  510   1HB   GLU  63          HB2       GLU  63  -3.428 -13.756   0.859
  511   2HB   GLU  63          HB3       GLU  63  -2.675 -12.543   1.871
  512   1HG   GLU  63          HG2       GLU  63  -3.129 -14.363   3.269
  513   2HG   GLU  63          HG3       GLU  63  -4.344 -13.147   3.652
  514    H    PHE  64           HN       PHE  64  -3.504  -9.824   0.685
  515    HA   PHE  64           HA       PHE  64  -3.540 -10.244  -2.219
  516   1HB   PHE  64          HB2       PHE  64  -3.276  -7.763  -0.533
  517   2HB   PHE  64          HB3       PHE  64  -2.910  -7.767  -2.251
  518    HD1  PHE  64           HD1      PHE  64  -4.609  -7.577  -3.845
  519    HD2  PHE  64           HD2      PHE  64  -5.611  -8.397   0.210
  520    HE1  PHE  64           HE1      PHE  64  -6.986  -7.205  -4.361
  521    HE2  PHE  64           HE2      PHE  64  -7.989  -8.029  -0.301
  522    HZ   PHE  64           HZ       PHE  64  -8.679  -7.431  -2.590
  523    H    TYR  65           HN       TYR  65  -1.579  -9.351  -3.353
  524    HA   TYR  65           HA       TYR  65   0.741 -10.569  -2.120
  525   1HB   TYR  65          HB2       TYR  65   0.446  -9.294  -4.848
  526   2HB   TYR  65          HB3       TYR  65   1.816 -10.256  -4.297
  527    HD1  TYR  65           HD1      TYR  65  -1.276 -10.322  -5.994
  528    HD2  TYR  65           HD2      TYR  65   1.254 -12.676  -3.514
  529    HE1  TYR  65           HE1      TYR  65  -2.406 -12.361  -6.784
  530    HE2  TYR  65           HE2      TYR  65   0.136 -14.719  -4.298
  531    HH   TYR  65           HH       TYR  65  -2.123 -15.322  -5.271
  532    H    LEU  66           HN       LEU  66   1.744  -9.348  -0.671
  533    HA   LEU  66           HA       LEU  66   1.842  -6.457  -1.125
  534   1HB   LEU  66          HB2       LEU  66   2.339  -8.010   1.413
  535   2HB   LEU  66          HB3       LEU  66   2.280  -6.264   1.262
  536    HG   LEU  66           HG       LEU  66  -0.032  -8.149   0.815
  537   1HD1  LEU  66          HD11      LEU  66   0.508  -6.175   3.024
  538   2HD1  LEU  66          HD12      LEU  66  -0.952  -7.146   2.834
  539   3HD1  LEU  66          HD13      LEU  66   0.593  -7.932   3.159
  540   1HD2  LEU  66          HD21      LEU  66   0.072  -5.136   0.722
  541   2HD2  LEU  66          HD22      LEU  66  -0.171  -6.213  -0.654
  542   3HD2  LEU  66          HD23      LEU  66  -1.388  -6.122   0.619
  543    H    SER  67           HN       SER  67   3.755  -5.316  -0.904
  544    HA   SER  67           HA       SER  67   6.216  -6.906  -0.648
  545   1HB   SER  67          HB2       SER  67   5.836  -4.471  -2.415
  546   2HB   SER  67          HB3       SER  67   7.272  -5.488  -2.308
  547    HG   SER  67           HG       SER  67   6.354  -6.485  -3.929
  548    H    ASP  68           HN       ASP  68   7.010  -6.378   1.277
  549    HA   ASP  68           HA       ASP  68   6.455  -3.746   2.400
  550   1HB   ASP  68          HB2       ASP  68   7.671  -6.234   3.616
  551   2HB   ASP  68          HB3       ASP  68   7.495  -4.711   4.480
  552    H    CYS  69           HN       CYS  69   7.873  -2.163   2.346
  553    HA   CYS  69           HA       CYS  69  10.696  -2.844   1.871
  554   1HB   CYS  69          HB2       CYS  69   9.038  -0.486   0.997
  555   2HB   CYS  69          HB3       CYS  69  10.795  -0.480   0.906
  556    H    ASN  70           HN       ASN  70  11.977  -2.479   3.550
  557    HA   ASN  70           HA       ASN  70  11.256  -0.292   5.379
  558   1HB   ASN  70          HB2       ASN  70  12.105  -1.776   7.264
  559   2HB   ASN  70          HB3       ASN  70  10.543  -2.195   6.578
  560   1HD2  ASN  70          HD21      ASN  70  10.609  -4.306   7.202
  561   2HD2  ASN  70          HD22      ASN  70  11.691  -5.463   6.515
  562    H    VAL  71           HN       VAL  71  12.895   0.796   6.377
  563    HA   VAL  71           HA       VAL  71  15.304   0.979   4.898
  564    HB   VAL  71           HB       VAL  71  14.168   2.864   6.119
  565   1HG1  VAL  71          HG11      VAL  71  13.704   1.784   8.224
  566   2HG1  VAL  71          HG12      VAL  71  15.428   1.605   8.545
  567   3HG1  VAL  71          HG13      VAL  71  14.704   3.212   8.482
  568   1HG2  VAL  71          HG21      VAL  71  16.424   3.093   5.235
  569   2HG2  VAL  71          HG22      VAL  71  16.237   3.995   6.740
  570   3HG2  VAL  71          HG23      VAL  71  17.089   2.450   6.736
  571    H    THR  72           HN       THR  72  17.354   0.231   5.351
  572    HA   THR  72           HA       THR  72  17.402  -1.839   7.443
  573    HB   THR  72           HB       THR  72  19.118  -2.974   5.947
  574    HG1  THR  72           HG1      THR  72  17.966  -1.243   3.987
  575   1HG2  THR  72          HG21      THR  72  16.308  -2.672   4.877
  576   2HG2  THR  72          HG22      THR  72  16.787  -3.741   6.195
  577   3HG2  THR  72          HG23      THR  72  17.406  -4.019   4.567
  578    H    SER  73           HN       SER  73  20.317  -1.462   5.769
  579    HA   SER  73           HA       SER  73  21.567  -0.771   8.287
  580   1HB   SER  73          HB2       SER  73  23.665  -1.274   6.757
  581   2HB   SER  73          HB3       SER  73  22.661  -2.584   7.382
  582    HG   SER  73           HG       SER  73  22.409  -1.376   4.805
  583    H    ARG  74           HN       ARG  74  20.826   0.719   5.290
  584    HA   ARG  74           HA       ARG  74  22.465   3.016   6.096
  585   1HB   ARG  74          HB2       ARG  74  21.872   1.966   3.343
  586   2HB   ARG  74          HB3       ARG  74  22.387   3.625   3.611
  587   1HG   ARG  74          HG2       ARG  74  24.450   2.797   4.652
  588   2HG   ARG  74          HG3       ARG  74  23.933   1.143   4.319
  589   1HD   ARG  74          HD2       ARG  74  25.512   2.007   2.628
  590   2HD   ARG  74          HD3       ARG  74  23.944   1.580   1.940
  591    HE   ARG  74           HE       ARG  74  23.914   4.300   2.634
  592   1HH1  ARG  74          HH12      ARG  74  25.345   2.146   0.276
  593   2HH1  ARG  74          HH11      ARG  74  25.625   3.407  -0.890
  594   1HH2  ARG  74          HH22      ARG  74  24.193   5.924   1.097
  595   2HH2  ARG  74          HH21      ARG  74  24.935   5.563  -0.434
  596    HA   PRO  75           HA       PRO  75  18.747   5.435   6.195
  597   1HB   PRO  75          HB2       PRO  75  20.408   7.597   5.037
  598   2HB   PRO  75          HB3       PRO  75  19.468   7.576   6.532
  599   1HG   PRO  75          HG2       PRO  75  22.140   7.449   6.572
  600   2HG   PRO  75          HG3       PRO  75  21.152   6.546   7.735
  601   1HD   PRO  75          HD2       PRO  75  22.570   5.567   5.289
  602   2HD   PRO  75          HD3       PRO  75  22.367   4.781   6.870
  603    H    CYS  76           HN       CYS  76  17.161   5.556   4.792
  604    HA   CYS  76           HA       CYS  76  15.956   5.595   2.886
  605   1HB   CYS  76          HB2       CYS  76  18.344   7.010   1.686
  606   2HB   CYS  76          HB3       CYS  76  16.705   7.001   1.043
  607    H    LYS  77           HN       LYS  77  18.305   3.530   3.341
  608    HA   LYS  77           HA       LYS  77  18.119   2.356   0.654
  609   1HB   LYS  77          HB2       LYS  77  20.346   2.774   2.197
  610   2HB   LYS  77          HB3       LYS  77  19.945   1.106   2.585
  611   1HG   LYS  77          HG2       LYS  77  21.526   1.261   0.740
  612   2HG   LYS  77          HG3       LYS  77  20.003   0.522   0.240
  613   1HD   LYS  77          HD2       LYS  77  19.279   2.598  -0.760
  614   2HD   LYS  77          HD3       LYS  77  20.715   3.426  -0.161
  615   1HE   LYS  77          HE2       LYS  77  20.918   2.887  -2.530
  616   2HE   LYS  77          HE3       LYS  77  22.125   2.035  -1.571
  617   1HZ   LYS  77          HZ1       LYS  77  20.994   0.022  -1.812
  618   2HZ   LYS  77          HZ2       LYS  77  20.921   0.724  -3.354
  619   3HZ   LYS  77          HZ3       LYS  77  19.565   0.762  -2.336
  620    H    TYR  78           HN       TYR  78  17.049   0.426   0.404
  621    HA   TYR  78           HA       TYR  78  15.748  -0.573   2.852
  622   1HB   TYR  78          HB2       TYR  78  14.560  -0.201   0.103
  623   2HB   TYR  78          HB3       TYR  78  13.737  -0.962   1.459
  624    HD1  TYR  78           HD1      TYR  78  12.812   0.333   3.225
  625    HD2  TYR  78           HD2      TYR  78  15.042   2.206   0.130
  626    HE1  TYR  78           HE1      TYR  78  11.990   2.522   3.970
  627    HE2  TYR  78           HE2      TYR  78  14.227   4.403   0.869
  628    HH   TYR  78           HH       TYR  78  12.547   4.819   3.839
  629    H    LYS  79           HN       LYS  79  14.614  -2.658   2.480
  630    HA   LYS  79           HA       LYS  79  15.803  -4.348   0.409
  631   1HB   LYS  79          HB2       LYS  79  15.477  -4.921   3.336
  632   2HB   LYS  79          HB3       LYS  79  15.350  -6.235   2.177
  633   1HG   LYS  79          HG2       LYS  79  17.707  -4.379   2.410
  634   2HG   LYS  79          HG3       LYS  79  17.609  -5.987   3.131
  635   1HD   LYS  79          HD2       LYS  79  17.608  -7.052   1.048
  636   2HD   LYS  79          HD3       LYS  79  17.164  -5.573   0.193
  637   1HE   LYS  79          HE2       LYS  79  19.785  -5.986   1.616
  638   2HE   LYS  79          HE3       LYS  79  19.542  -6.258  -0.109
  639   1HZ   LYS  79          HZ1       LYS  79  18.932  -3.669   1.190
  640   2HZ   LYS  79          HZ2       LYS  79  19.101  -3.987  -0.464
  641   3HZ   LYS  79          HZ3       LYS  79  20.460  -4.024   0.557
  642    H    LEU  80           HN       LEU  80  14.348  -5.655  -0.627
  643    HA   LEU  80           HA       LEU  80  11.569  -4.929  -0.221
  644   1HB   LEU  80          HB2       LEU  80  12.670  -4.993  -2.485
  645   2HB   LEU  80          HB3       LEU  80  12.738  -6.733  -2.330
  646    HG   LEU  80           HG       LEU  80  10.828  -5.650  -3.694
  647   1HD1  LEU  80          HD11      LEU  80  10.186  -7.733  -1.627
  648   2HD1  LEU  80          HD12      LEU  80   9.311  -7.445  -3.131
  649   3HD1  LEU  80          HD13      LEU  80  10.973  -8.033  -3.177
  650   1HD2  LEU  80          HD21      LEU  80  10.134  -4.032  -2.044
  651   2HD2  LEU  80          HD22      LEU  80   8.826  -5.162  -2.392
  652   3HD2  LEU  80          HD23      LEU  80   9.762  -5.328  -0.908
  653    H    LYS  81           HN       LYS  81   9.970  -6.291   0.325
  654    HA   LYS  81           HA       LYS  81  10.716  -8.980   1.249
  655   1HB   LYS  81          HB2       LYS  81  10.713  -7.683   3.236
  656   2HB   LYS  81          HB3       LYS  81   9.269  -6.808   2.754
  657   1HG   LYS  81          HG2       LYS  81   7.981  -8.923   2.996
  658   2HG   LYS  81          HG3       LYS  81   9.443  -9.677   3.638
  659   1HD   LYS  81          HD2       LYS  81   9.465  -8.250   5.522
  660   2HD   LYS  81          HD3       LYS  81   8.268  -7.167   4.809
  661   1HE   LYS  81          HE2       LYS  81   7.235  -8.516   6.528
  662   2HE   LYS  81          HE3       LYS  81   6.596  -8.967   4.948
  663   1HZ   LYS  81          HZ1       LYS  81   8.721 -10.437   6.415
  664   2HZ   LYS  81          HZ2       LYS  81   8.032 -10.888   4.929
  665   3HZ   LYS  81          HZ3       LYS  81   7.091 -10.893   6.337
  666    H    LYS  82           HN       LYS  82   9.601 -10.278  -0.049
  667    HA   LYS  82           HA       LYS  82   7.011  -9.485  -1.063
  668   1HB   LYS  82          HB2       LYS  82   8.628 -12.015  -1.442
  669   2HB   LYS  82          HB3       LYS  82   7.135 -11.633  -2.295
  670   1HG   LYS  82          HG2       LYS  82   8.148  -9.755  -3.367
  671   2HG   LYS  82          HG3       LYS  82   9.611  -9.929  -2.398
  672   1HD   LYS  82          HD2       LYS  82  10.054 -12.093  -3.439
  673   2HD   LYS  82          HD3       LYS  82   8.584 -11.937  -4.398
  674   1HE   LYS  82          HE2       LYS  82   9.484  -9.976  -5.508
  675   2HE   LYS  82          HE3       LYS  82  10.924 -10.037  -4.496
  676   1HZ   LYS  82          HZ1       LYS  82  11.284 -10.968  -6.718
  677   2HZ   LYS  82          HZ2       LYS  82  10.113 -12.155  -6.421
  678   3HZ   LYS  82          HZ3       LYS  82  11.539 -12.122  -5.505
  679    H    SER  83           HN       SER  83   5.180  -9.866  -0.039
  680    HA   SER  83           HA       SER  83   4.971 -12.209   1.712
  681   1HB   SER  83          HB2       SER  83   3.774 -10.729   3.374
  682   2HB   SER  83          HB3       SER  83   5.497 -10.389   3.209
  683    HG   SER  83           HG       SER  83   4.732  -8.408   2.958
  684    H    THR  84           HN       THR  84   2.659 -12.641   2.310
  685    HA   THR  84           HA       THR  84   0.710 -11.413   0.500
  686    HB   THR  84           HB       THR  84   0.678 -14.393   0.988
  687    HG1  THR  84           HG1      THR  84   2.350 -12.965  -0.612
  688   1HG2  THR  84          HG21      THR  84  -0.742 -14.377  -1.035
  689   2HG2  THR  84          HG22      THR  84  -0.625 -12.616  -1.084
  690   3HG2  THR  84          HG23      THR  84  -1.430 -13.411   0.270
  691    H    ASN  85           HN       ASN  85  -0.752 -10.517   1.812
  692    HA   ASN  85           HA       ASN  85  -1.874 -12.005   4.024
  693   1HB   ASN  85          HB2       ASN  85   0.296 -10.649   4.741
  694   2HB   ASN  85          HB3       ASN  85  -0.842  -9.318   4.736
  695   1HD2  ASN  85          HD21      ASN  85   0.570 -10.384   6.969
  696   2HD2  ASN  85          HD22      ASN  85  -0.614 -10.957   8.097
  697    H    LYS  86           HN       LYS  86  -3.810 -10.993   4.861
  698    HA   LYS  86           HA       LYS  86  -5.197  -9.301   3.024
  699   1HB   LYS  86          HB2       LYS  86  -5.889  -9.792   5.922
  700   2HB   LYS  86          HB3       LYS  86  -6.982  -9.356   4.616
  701   1HG   LYS  86          HG2       LYS  86  -6.619 -11.552   3.588
  702   2HG   LYS  86          HG3       LYS  86  -5.551 -11.991   4.925
  703   1HD   LYS  86          HD2       LYS  86  -7.419 -11.605   6.484
  704   2HD   LYS  86          HD3       LYS  86  -8.457 -11.266   5.117
  705   1HE   LYS  86          HE2       LYS  86  -8.779 -13.536   5.911
  706   2HE   LYS  86          HE3       LYS  86  -8.102 -13.521   4.287
  707   1HZ   LYS  86          HZ1       LYS  86  -6.191 -14.443   4.969
  708   2HZ   LYS  86          HZ2       LYS  86  -7.142 -15.011   6.257
  709   3HZ   LYS  86          HZ3       LYS  86  -6.177 -13.628   6.458
  710    H    PHE  87           HN       PHE  87  -6.166  -7.152   3.937
  711    HA   PHE  87           HA       PHE  87  -4.547  -5.920   5.974
  712   1HB   PHE  87          HB2       PHE  87  -3.936  -3.947   4.551
  713   2HB   PHE  87          HB3       PHE  87  -3.084  -5.438   4.176
  714    HD1  PHE  87           HD1      PHE  87  -2.985  -6.185   1.994
  715    HD2  PHE  87           HD2      PHE  87  -5.988  -3.374   3.078
  716    HE1  PHE  87           HE1      PHE  87  -3.598  -5.930  -0.371
  717    HE2  PHE  87           HE2      PHE  87  -6.612  -3.124   0.711
  718    HZ   PHE  87           HZ       PHE  87  -5.412  -4.405  -1.021
  719    H    CYS  88           HN       CYS  88  -5.375  -4.043   6.823
  720    HA   CYS  88           HA       CYS  88  -8.234  -3.682   6.307
  721   1HB   CYS  88          HB2       CYS  88  -7.434  -4.147   8.624
  722   2HB   CYS  88          HB3       CYS  88  -6.509  -2.650   8.576
  723    H    VAL  89           HN       VAL  89  -8.916  -1.919   5.241
  724    HA   VAL  89           HA       VAL  89  -7.092   0.388   5.080
  725    HB   VAL  89           HB       VAL  89  -8.186   0.915   2.871
  726   1HG1  VAL  89          HG11      VAL  89  -5.952  -0.035   3.002
  727   2HG1  VAL  89          HG12      VAL  89  -6.631  -1.662   3.052
  728   3HG1  VAL  89          HG13      VAL  89  -6.818  -0.673   1.603
  729   1HG2  VAL  89          HG21      VAL  89  -9.278  -0.920   1.659
  730   2HG2  VAL  89          HG22      VAL  89  -9.184  -1.927   3.105
  731   3HG2  VAL  89          HG23      VAL  89 -10.181  -0.473   3.107
  732    H    THR  90           HN       THR  90  -7.961   2.413   5.375
  733    HA   THR  90           HA       THR  90 -10.546   2.519   6.642
  734    HB   THR  90           HB       THR  90  -8.758   4.835   5.847
  735    HG1  THR  90           HG1      THR  90  -8.846   3.263   8.232
  736   1HG2  THR  90          HG21      THR  90  -9.952   6.028   7.647
  737   2HG2  THR  90          HG22      THR  90 -10.981   4.616   7.886
  738   3HG2  THR  90          HG23      THR  90 -11.044   5.505   6.364
  739    H    CYS  91           HN       CYS  91 -12.267   2.334   5.338
  740    HA   CYS  91           HA       CYS  91 -12.183   3.439   2.650
  741   1HB   CYS  91          HB2       CYS  91 -14.245   1.769   4.088
  742   2HB   CYS  91          HB3       CYS  91 -14.375   2.288   2.408
  743    H    GLU  92           HN       GLU  92 -12.893   5.370   2.188
  744    HA   GLU  92           HA       GLU  92 -15.213   6.442   3.595
  745   1HB   GLU  92          HB2       GLU  92 -12.882   7.212   4.542
  746   2HB   GLU  92          HB3       GLU  92 -12.879   8.235   3.122
  747   1HG   GLU  92          HG2       GLU  92 -15.059   9.160   3.853
  748   2HG   GLU  92          HG3       GLU  92 -14.884   8.240   5.342
  749    H    ASN  93           HN       ASN  93 -16.580   7.380   2.193
  750    HA   ASN  93           HA       ASN  93 -17.505   8.085   0.237
  751   1HB   ASN  93          HB2       ASN  93 -14.706   9.148  -0.116
  752   2HB   ASN  93          HB3       ASN  93 -15.948   9.384  -1.339
  753   1HD2  ASN  93          HD21      ASN  93 -14.806  10.279   1.792
  754   2HD2  ASN  93          HD22      ASN  93 -15.904  11.595   2.043
  755    H    GLN  94           HN       GLN  94 -16.386   5.410   0.433
  756    HA   GLN  94           HA       GLN  94 -16.263   3.555  -0.851
  757   1HB   GLN  94          HB2       GLN  94 -17.127   5.493  -2.977
  758   2HB   GLN  94          HB3       GLN  94 -16.781   3.809  -3.348
  759   1HG   GLN  94          HG2       GLN  94 -18.456   3.152  -1.647
  760   2HG   GLN  94          HG3       GLN  94 -18.856   4.852  -1.444
  761   1HE2  GLN  94          HE21      GLN  94 -17.991   3.594  -4.549
  762   2HE2  GLN  94          HE22      GLN  94 -19.572   3.674  -5.243
  763    H    ALA  95           HN       ALA  95 -13.931   5.375  -0.448
  764    HA   ALA  95           HA       ALA  95 -12.204   3.920  -2.306
  765   1HB   ALA  95          HB1       ALA  95 -12.521   6.135  -3.309
  766   2HB   ALA  95          HB2       ALA  95 -11.959   6.889  -1.817
  767   3HB   ALA  95          HB3       ALA  95 -10.858   5.898  -2.773
  768    HA   PRO  96           HA       PRO  96  -9.829   3.334   1.458
  769   1HB   PRO  96          HB2       PRO  96  -7.622   2.714  -0.379
  770   2HB   PRO  96          HB3       PRO  96  -8.370   1.697   0.854
  771   1HG   PRO  96          HG2       PRO  96  -8.713   1.278  -1.796
  772   2HG   PRO  96          HG3       PRO  96  -9.949   0.884  -0.591
  773   1HD   PRO  96          HD2       PRO  96  -9.828   3.167  -2.489
  774   2HD   PRO  96          HD3       PRO  96 -11.232   2.276  -1.882
  775    H    VAL  97           HN       VAL  97  -9.429   5.341   2.276
  776    HA   VAL  97           HA       VAL  97  -7.584   7.080   0.804
  777    HB   VAL  97           HB       VAL  97  -8.363   8.891   2.295
  778   1HG1  VAL  97          HG11      VAL  97 -10.558   7.393   0.871
  779   2HG1  VAL  97          HG12      VAL  97 -10.628   9.085   1.363
  780   3HG1  VAL  97          HG13      VAL  97  -9.454   8.567   0.153
  781   1HG2  VAL  97          HG21      VAL  97  -8.935   7.551   4.242
  782   2HG2  VAL  97          HG22      VAL  97 -10.317   8.519   3.728
  783   3HG2  VAL  97          HG23      VAL  97 -10.255   6.796   3.351
  784    H    HIS  98           HN       HIS  98  -7.731   5.071   3.542
  785    HA   HIS  98           HA       HIS  98  -5.081   6.007   4.339
  786   1HB   HIS  98          HB2       HIS  98  -7.476   5.794   6.135
  787   2HB   HIS  98          HB3       HIS  98  -5.860   5.537   6.778
  788    HD1  HIS  98           HD1      HIS  98  -4.343   7.580   7.041
  789    HD2  HIS  98           HD2      HIS  98  -8.059   8.461   5.395
  790    HE1  HIS  98           HE1      HIS  98  -4.556  10.082   7.146
  791    HE2  HIS  98           HE2      HIS  98  -6.874  10.579   6.305
  792    H    PHE  99           HN       PHE  99  -3.762   4.424   5.227
  793    HA   PHE  99           HA       PHE  99  -4.763   1.688   4.861
  794   1HB   PHE  99          HB2       PHE  99  -2.794   2.428   3.476
  795   2HB   PHE  99          HB3       PHE  99  -1.880   2.604   4.969
  796    HD1  PHE  99           HD1      PHE  99  -0.720   0.788   5.845
  797    HD2  PHE  99           HD2      PHE  99  -3.801   0.129   2.987
  798    HE1  PHE  99           HE1      PHE  99  -0.102  -1.591   5.734
  799    HE2  PHE  99           HE2      PHE  99  -3.197  -2.250   2.872
  800    HZ   PHE  99           HZ       PHE  99  -1.343  -3.115   4.247
  801    H    VAL 100           HN       VAL 100  -5.207   0.610   6.641
  802    HA   VAL 100           HA       VAL 100  -4.427   1.629   9.220
  803    HB   VAL 100           HB       VAL 100  -5.990  -0.849   8.471
  804   1HG1  VAL 100          HG11      VAL 100  -5.591   0.467  11.153
  805   2HG1  VAL 100          HG12      VAL 100  -6.765  -0.806  10.817
  806   3HG1  VAL 100          HG13      VAL 100  -5.042  -1.136  10.659
  807   1HG2  VAL 100          HG21      VAL 100  -7.958   0.471   9.150
  808   2HG2  VAL 100          HG22      VAL 100  -6.918   1.879   9.367
  809   3HG2  VAL 100          HG23      VAL 100  -7.124   1.172   7.764
  810    H    GLY 101           HN       GLY 101  -4.241  -1.675   7.900
  811   1HA   GLY 101          HA1       GLY 101  -1.464  -1.956   8.060
  812   2HA   GLY 101          HA2       GLY 101  -2.142  -2.508   9.588
  813    H    VAL 102           HN       VAL 102  -0.862  -4.396   8.280
  814    HA   VAL 102           HA       VAL 102  -2.768  -5.750   6.536
  815    HB   VAL 102           HB       VAL 102  -1.074  -7.063   5.710
  816   1HG1  VAL 102          HG11      VAL 102  -0.716  -4.750   5.080
  817   2HG1  VAL 102          HG12      VAL 102   0.320  -4.516   6.488
  818   3HG1  VAL 102          HG13      VAL 102   0.819  -5.612   5.201
  819   1HG2  VAL 102          HG21      VAL 102  -0.293  -7.925   7.873
  820   2HG2  VAL 102          HG22      VAL 102   1.035  -7.555   6.772
  821   3HG2  VAL 102          HG23      VAL 102   0.653  -6.452   8.096
  822    H    GLY 103           HN       GLY 103  -3.296  -7.963   6.848
  823   1HA   GLY 103          HA1       GLY 103  -3.464  -9.915   8.188
  824   2HA   GLY 103          HA2       GLY 103  -2.956  -8.979   9.585
  825    H    SER 104           HN       SER 104  -4.519  -7.192  10.202
  826    HA   SER 104           HA       SER 104  -7.303  -7.649   9.566
  827   1HB   SER 104          HB2       SER 104  -6.214  -8.125  12.353
  828   2HB   SER 104          HB3       SER 104  -7.919  -8.026  11.939
  829    HG   SER 104           HG       SER 104  -6.717  -9.799  10.329
  830    H    CYS 105           HN       CYS 105  -8.637  -6.165  11.147
  831    HA   CYS 105           HA       CYS 105  -7.372  -3.538  11.109
  832   1HB   CYS 105          HB2       CYS 105 -10.172  -4.396  11.890
  833   2HB   CYS 105          HB3       CYS 105  -9.626  -2.728  11.773
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1  -7.094  15.522   5.362
    2   2H    MET   1           H2       MET   1  -6.267  14.263   6.138
    3   3H    MET   1           H3       MET   1  -7.593  13.919   5.136
    4    HA   MET   1           HA       MET   1  -6.368  14.811   3.231
    5   1HB   MET   1          HB2       MET   1  -4.059  14.816   5.190
    6   2HB   MET   1          HB3       MET   1  -3.928  15.090   3.459
    7   1HG   MET   1          HG2       MET   1  -5.442  17.072   3.771
    8   2HG   MET   1          HG3       MET   1  -5.249  16.844   5.508
    9   1HE   MET   1          HE1       MET   1  -2.767  16.849   6.683
   10   2HE   MET   1          HE2       MET   1  -2.169  15.745   5.443
   11   3HE   MET   1          HE3       MET   1  -1.296  17.237   5.793
   12    H    GLN   2           HN       GLN   2  -4.281  13.471   2.364
   13    HA   GLN   2           HA       GLN   2  -3.732  11.454   1.516
   14   1HB   GLN   2          HB2       GLN   2  -4.353  10.626   4.337
   15   2HB   GLN   2          HB3       GLN   2  -3.939   9.433   3.114
   16   1HG   GLN   2          HG2       GLN   2  -1.811  10.589   2.727
   17   2HG   GLN   2          HG3       GLN   2  -2.229  11.751   3.986
   18   1HE2  GLN   2          HE21      GLN   2  -2.096  11.164   6.122
   19   2HE2  GLN   2          HE22      GLN   2  -1.350   9.690   6.642
   20    H    ASP   3           HN       ASP   3  -4.904  10.668  -0.047
   21    HA   ASP   3           HA       ASP   3  -7.591   9.642   0.500
   22   1HB   ASP   3          HB2       ASP   3  -6.969  11.538  -1.745
   23   2HB   ASP   3          HB3       ASP   3  -8.535  10.836  -1.387
   24    H    TRP   4           HN       TRP   4  -8.374   9.036  -2.020
   25    HA   TRP   4           HA       TRP   4  -7.206   6.584  -2.454
   26   1HB   TRP   4          HB2       TRP   4  -9.411   7.147  -3.290
   27   2HB   TRP   4          HB3       TRP   4  -8.725   8.322  -4.405
   28    HD1  TRP   4           HD1      TRP   4  -8.967   7.391  -6.757
   29    HE1  TRP   4           HE1      TRP   4  -8.583   5.122  -7.904
   30    HE3  TRP   4           HE3      TRP   4  -7.697   4.630  -2.653
   31    HZ2  TRP   4           HZ2      TRP   4  -7.826   2.505  -7.158
   32    HZ3  TRP   4           HZ3      TRP   4  -7.162   2.248  -2.948
   33    HH2  TRP   4           HH2      TRP   4  -7.217   1.209  -5.160
   34    H    LEU   5           HN       LEU   5  -6.531   9.601  -4.242
   35    HA   LEU   5           HA       LEU   5  -4.714   8.471  -6.062
   36   1HB   LEU   5          HB2       LEU   5  -5.076  11.277  -5.043
   37   2HB   LEU   5          HB3       LEU   5  -3.851  10.873  -6.227
   38    HG   LEU   5           HG       LEU   5  -5.760  11.779  -7.359
   39   1HD1  LEU   5          HD11      LEU   5  -6.316   9.944  -8.880
   40   2HD1  LEU   5          HD12      LEU   5  -4.593  10.003  -8.511
   41   3HD1  LEU   5          HD13      LEU   5  -5.619   8.797  -7.735
   42   1HD2  LEU   5          HD21      LEU   5  -7.480  11.355  -5.703
   43   2HD2  LEU   5          HD22      LEU   5  -7.969  10.723  -7.275
   44   3HD2  LEU   5          HD23      LEU   5  -7.387   9.624  -6.025
   45    H    THR   6           HN       THR   6  -4.217  10.019  -2.923
   46    HA   THR   6           HA       THR   6  -1.402   9.818  -2.879
   47    HB   THR   6           HB       THR   6  -3.245   9.787  -0.485
   48    HG1  THR   6           HG1      THR   6  -2.262  12.031  -1.966
   49   1HG2  THR   6          HG21      THR   6  -0.882   9.398   0.013
   50   2HG2  THR   6          HG22      THR   6  -1.398  10.977   0.608
   51   3HG2  THR   6          HG23      THR   6  -0.449  10.859  -0.874
   52    H    PHE   7           HN       PHE   7  -4.003   7.711  -1.792
   53    HA   PHE   7           HA       PHE   7  -2.470   5.764  -0.476
   54   1HB   PHE   7          HB2       PHE   7  -4.965   6.025  -0.358
   55   2HB   PHE   7          HB3       PHE   7  -5.068   5.343  -1.977
   56    HD1  PHE   7           HD1      PHE   7  -4.698   4.665   1.534
   57    HD2  PHE   7           HD2      PHE   7  -4.381   2.978  -2.359
   58    HE1  PHE   7           HE1      PHE   7  -4.750   2.406   2.512
   59    HE2  PHE   7           HE2      PHE   7  -4.437   0.718  -1.391
   60    HZ   PHE   7           HZ       PHE   7  -4.619   0.430   1.047
   61    H    GLN   8           HN       GLN   8  -3.600   5.996  -3.825
   62    HA   GLN   8           HA       GLN   8  -2.680   3.575  -4.796
   63   1HB   GLN   8          HB2       GLN   8  -3.140   6.253  -6.023
   64   2HB   GLN   8          HB3       GLN   8  -2.387   4.980  -6.957
   65   1HG   GLN   8          HG2       GLN   8  -4.357   3.541  -6.462
   66   2HG   GLN   8          HG3       GLN   8  -5.113   4.943  -5.702
   67   1HE2  GLN   8          HE21      GLN   8  -5.743   6.687  -6.992
   68   2HE2  GLN   8          HE22      GLN   8  -5.926   6.537  -8.702
   69    H    LYS   9           HN       LYS   9  -1.064   6.720  -5.092
   70    HA   LYS   9           HA       LYS   9   1.232   5.817  -6.344
   71   1HB   LYS   9          HB2       LYS   9   0.818   8.172  -4.509
   72   2HB   LYS   9          HB3       LYS   9   2.253   7.936  -5.504
   73   1HG   LYS   9          HG2       LYS   9   1.027   8.172  -7.502
   74   2HG   LYS   9          HG3       LYS   9  -0.517   8.024  -6.663
   75   1HD   LYS   9          HD2       LYS   9  -0.120  10.332  -7.259
   76   2HD   LYS   9          HD3       LYS   9  -0.061  10.142  -5.508
   77   1HE   LYS   9          HE2       LYS   9   1.722  11.604  -6.279
   78   2HE   LYS   9          HE3       LYS   9   2.379  10.122  -5.588
   79   1HZ   LYS   9          HZ1       LYS   9   2.830   9.276  -7.749
   80   2HZ   LYS   9          HZ2       LYS   9   3.451  10.855  -7.691
   81   3HZ   LYS   9          HZ3       LYS   9   1.997  10.547  -8.503
   82    H    LYS  10           HN       LYS  10   0.350   5.722  -2.998
   83    HA   LYS  10           HA       LYS  10   3.078   5.124  -2.148
   84   1HB   LYS  10          HB2       LYS  10   0.510   5.592  -0.656
   85   2HB   LYS  10          HB3       LYS  10   1.940   4.965   0.147
   86   1HG   LYS  10          HG2       LYS  10   3.170   6.967  -0.374
   87   2HG   LYS  10          HG3       LYS  10   1.819   7.587  -1.330
   88   1HD   LYS  10          HD2       LYS  10   0.420   7.679   0.653
   89   2HD   LYS  10          HD3       LYS  10   1.705   6.960   1.622
   90   1HE   LYS  10          HE2       LYS  10   1.978   9.587   0.172
   91   2HE   LYS  10          HE3       LYS  10   1.446   9.449   1.847
   92   1HZ   LYS  10          HZ1       LYS  10   3.758   9.891   1.861
   93   2HZ   LYS  10          HZ2       LYS  10   4.082   8.686   0.720
   94   3HZ   LYS  10          HZ3       LYS  10   3.584   8.255   2.285
   95    H    HIS  11           HN       HIS  11   0.044   3.391  -2.683
   96    HA   HIS  11           HA       HIS  11   1.310   1.056  -1.392
   97   1HB   HIS  11          HB2       HIS  11  -1.594   1.850  -1.162
   98   2HB   HIS  11          HB3       HIS  11  -0.880   0.387  -0.499
   99    HD1  HIS  11           HD1      HIS  11   1.103   0.882   1.345
  100    HD2  HIS  11           HD2      HIS  11  -1.580   3.962   0.540
  101    HE1  HIS  11           HE1      HIS  11   1.302   2.482   3.279
  102    HE2  HIS  11           HE2      HIS  11  -0.391   4.297   2.820
  103    H    ILE  12           HN       ILE  12   0.168   2.129  -4.294
  104    HA   ILE  12           HA       ILE  12  -0.782  -0.558  -5.034
  105    HB   ILE  12           HB       ILE  12  -1.224   2.070  -6.465
  106   1HG1  ILE  12          HG12      ILE  12  -2.566   1.839  -4.435
  107   2HG1  ILE  12          HG13      ILE  12  -3.587   1.734  -5.861
  108   1HG2  ILE  12          HG21      ILE  12  -2.692   0.810  -7.971
  109   2HG2  ILE  12          HG22      ILE  12  -1.023   0.246  -8.062
  110   3HG2  ILE  12          HG23      ILE  12  -2.221  -0.688  -7.168
  111   1HD1  ILE  12          HD11      ILE  12  -3.676  -0.683  -5.625
  112   2HD1  ILE  12          HD12      ILE  12  -2.616  -0.592  -4.219
  113   3HD1  ILE  12          HD13      ILE  12  -4.228   0.119  -4.154
  114    H    THR  13           HN       THR  13   0.611  -1.798  -6.068
  115    HA   THR  13           HA       THR  13   2.475  -0.538  -7.950
  116    HB   THR  13           HB       THR  13   3.758  -1.089  -5.915
  117    HG1  THR  13           HG1      THR  13   5.237  -2.646  -7.070
  118   1HG2  THR  13          HG21      THR  13   4.122  -3.434  -5.286
  119   2HG2  THR  13          HG22      THR  13   2.912  -3.934  -6.473
  120   3HG2  THR  13          HG23      THR  13   2.434  -2.957  -5.082
  121    H    ASN  14           HN       ASN  14   3.130  -1.898  -9.684
  122    HA   ASN  14           HA       ASN  14   1.166  -4.016 -10.248
  123   1HB   ASN  14          HB2       ASN  14   1.501  -3.527 -12.614
  124   2HB   ASN  14          HB3       ASN  14   1.085  -2.045 -11.760
  125   1HD2  ASN  14          HD21      ASN  14   2.462  -2.431 -14.297
  126   2HD2  ASN  14          HD22      ASN  14   3.989  -1.634 -14.134
  127    H    THR  15           HN       THR  15   4.010  -3.895  -8.994
  128    HA   THR  15           HA       THR  15   4.974  -6.275 -10.409
  129    HB   THR  15           HB       THR  15   6.390  -4.512 -11.232
  130    HG1  THR  15           HG1      THR  15   8.396  -5.201  -9.754
  131   1HG2  THR  15          HG21      THR  15   7.701  -3.063  -9.749
  132   2HG2  THR  15          HG22      THR  15   6.897  -3.773  -8.348
  133   3HG2  THR  15          HG23      THR  15   5.969  -2.828  -9.514
  134    H    ARG  16           HN       ARG  16   5.900  -7.848  -9.089
  135    HA   ARG  16           HA       ARG  16   5.234  -7.760  -6.312
  136   1HB   ARG  16          HB2       ARG  16   6.811  -9.701  -7.994
  137   2HB   ARG  16          HB3       ARG  16   6.638  -9.905  -6.256
  138   1HG   ARG  16          HG2       ARG  16   4.318  -9.690  -8.154
  139   2HG   ARG  16          HG3       ARG  16   5.030 -11.218  -7.628
  140   1HD   ARG  16          HD2       ARG  16   3.981  -9.138  -5.720
  141   2HD   ARG  16          HD3       ARG  16   2.993 -10.458  -6.344
  142    HE   ARG  16           HE       ARG  16   4.861 -11.916  -5.334
  143   1HH1  ARG  16          HH12      ARG  16   3.841  -8.840  -4.008
  144   2HH1  ARG  16          HH11      ARG  16   4.134  -9.299  -2.361
  145   1HH2  ARG  16          HH22      ARG  16   5.251 -12.545  -3.167
  146   2HH2  ARG  16          HH21      ARG  16   4.922 -11.418  -1.883
  147    H    ASP  17           HN       ASP  17   8.100  -7.199  -8.205
  148    HA   ASP  17           HA       ASP  17   9.576  -6.525  -5.783
  149   1HB   ASP  17          HB2       ASP  17  11.514  -6.392  -7.437
  150   2HB   ASP  17          HB3       ASP  17  10.875  -7.990  -7.093
  151    H    VAL  18           HN       VAL  18   8.598  -4.566  -5.353
  152    HA   VAL  18           HA       VAL  18   8.575  -2.470  -7.325
  153    HB   VAL  18           HB       VAL  18   6.792  -2.269  -5.822
  154   1HG1  VAL  18          HG11      VAL  18   7.101  -2.177  -3.340
  155   2HG1  VAL  18          HG12      VAL  18   7.425  -3.751  -4.073
  156   3HG1  VAL  18          HG13      VAL  18   8.765  -2.708  -3.593
  157   1HG2  VAL  18          HG21      VAL  18   7.775  -0.119  -6.216
  158   2HG2  VAL  18          HG22      VAL  18   7.224  -0.189  -4.541
  159   3HG2  VAL  18          HG23      VAL  18   8.941  -0.365  -4.914
  160    H    ASP  19           HN       ASP  19  10.005  -0.806  -7.537
  161    HA   ASP  19           HA       ASP  19  12.632  -1.221  -6.585
  162   1HB   ASP  19          HB2       ASP  19  11.534   1.237  -7.946
  163   2HB   ASP  19          HB3       ASP  19  13.191   0.672  -7.929
  164    H    CYS  20           HN       CYS  20  11.957  -1.133  -4.253
  165    HA   CYS  20           HA       CYS  20  11.055   1.087  -2.907
  166   1HB   CYS  20          HB2       CYS  20  13.302  -0.556  -1.775
  167   2HB   CYS  20          HB3       CYS  20  11.904   0.134  -0.954
  168    H    ASP  21           HN       ASP  21  14.411   0.308  -3.720
  169    HA   ASP  21           HA       ASP  21  15.745   2.339  -2.436
  170   1HB   ASP  21          HB2       ASP  21  16.855   0.466  -3.547
  171   2HB   ASP  21          HB3       ASP  21  16.406   1.112  -5.120
  172    H    ASN  22           HN       ASN  22  14.165   2.480  -5.598
  173    HA   ASN  22           HA       ASN  22  15.131   5.212  -5.977
  174   1HB   ASN  22          HB2       ASN  22  15.198   3.398  -7.797
  175   2HB   ASN  22          HB3       ASN  22  13.460   3.629  -7.922
  176   1HD2  ASN  22          HD21      ASN  22  15.563   4.097  -9.882
  177   2HD2  ASN  22          HD22      ASN  22  15.426   5.758 -10.344
  178    H    ILE  23           HN       ILE  23  12.082   3.414  -5.912
  179    HA   ILE  23           HA       ILE  23  10.418   5.620  -6.414
  180    HB   ILE  23           HB       ILE  23   9.801   2.989  -5.064
  181   1HG1  ILE  23          HG12      ILE  23   9.377   3.987  -7.890
  182   2HG1  ILE  23          HG13      ILE  23  10.574   2.805  -7.380
  183   1HG2  ILE  23          HG21      ILE  23   8.136   4.657  -4.417
  184   2HG2  ILE  23          HG22      ILE  23   7.874   5.062  -6.113
  185   3HG2  ILE  23          HG23      ILE  23   7.442   3.460  -5.511
  186   1HD1  ILE  23          HD11      ILE  23   8.802   1.261  -6.764
  187   2HD1  ILE  23          HD12      ILE  23   7.591   2.452  -7.246
  188   3HD1  ILE  23          HD13      ILE  23   8.667   1.751  -8.453
  189    H    LEU  24           HN       LEU  24  11.699   4.311  -3.384
  190    HA   LEU  24           HA       LEU  24   9.938   5.943  -1.786
  191   1HB   LEU  24          HB2       LEU  24  12.390   4.458  -0.866
  192   2HB   LEU  24          HB3       LEU  24  11.077   5.049   0.131
  193    HG   LEU  24           HG       LEU  24  10.951   2.783  -1.856
  194   1HD1  LEU  24          HD11      LEU  24  10.491   1.421   0.103
  195   2HD1  LEU  24          HD12      LEU  24  12.056   2.226   0.233
  196   3HD1  LEU  24          HD13      LEU  24  10.670   2.840   1.136
  197   1HD2  LEU  24          HD21      LEU  24   8.666   2.446  -1.034
  198   2HD2  LEU  24          HD22      LEU  24   8.770   3.974  -0.160
  199   3HD2  LEU  24          HD23      LEU  24   8.854   3.960  -1.924
  200    H    SER  25           HN       SER  25  12.770   6.525  -3.473
  201    HA   SER  25           HA       SER  25  13.884   8.442  -1.620
  202   1HB   SER  25          HB2       SER  25  14.588   7.715  -4.465
  203   2HB   SER  25          HB3       SER  25  15.434   8.957  -3.545
  204    HG   SER  25           HG       SER  25  15.430   6.172  -3.216
  205    H    THR  26           HN       THR  26  11.244   8.495  -3.561
  206    HA   THR  26           HA       THR  26  11.477  11.194  -4.552
  207    HB   THR  26           HB       THR  26   9.101  10.941  -5.183
  208    HG1  THR  26           HG1      THR  26   9.115   8.236  -4.428
  209   1HG2  THR  26          HG21      THR  26  10.794   8.553  -5.932
  210   2HG2  THR  26          HG22      THR  26  10.848  10.139  -6.704
  211   3HG2  THR  26          HG23      THR  26   9.394   9.150  -6.822
  212    H    ASN  27           HN       ASN  27   9.753  12.825  -3.920
  213    HA   ASN  27           HA       ASN  27   9.821  13.209  -1.088
  214   1HB   ASN  27          HB2       ASN  27   9.803  15.075  -2.762
  215   2HB   ASN  27          HB3       ASN  27   8.122  14.690  -3.111
  216   1HD2  ASN  27          HD21      ASN  27   6.539  15.343  -1.721
  217   2HD2  ASN  27          HD22      ASN  27   6.841  16.329  -0.328
  218    H    LEU  28           HN       LEU  28   7.817  11.509  -3.178
  219    HA   LEU  28           HA       LEU  28   5.333  11.578  -1.860
  220   1HB   LEU  28          HB2       LEU  28   5.621  10.737  -4.124
  221   2HB   LEU  28          HB3       LEU  28   6.636   9.436  -3.540
  222    HG   LEU  28           HG       LEU  28   4.679   8.513  -2.314
  223   1HD1  LEU  28          HD11      LEU  28   2.448   9.319  -2.902
  224   2HD1  LEU  28          HD12      LEU  28   3.387  10.560  -2.075
  225   3HD1  LEU  28          HD13      LEU  28   3.167  10.639  -3.823
  226   1HD2  LEU  28          HD21      LEU  28   3.561   7.652  -4.322
  227   2HD2  LEU  28          HD22      LEU  28   4.360   8.892  -5.288
  228   3HD2  LEU  28          HD23      LEU  28   5.316   7.645  -4.487
  229    H    PHE  29           HN       PHE  29   8.311   9.970  -1.122
  230    HA   PHE  29           HA       PHE  29   6.971   8.672   1.157
  231   1HB   PHE  29          HB2       PHE  29   9.331   7.609  -0.407
  232   2HB   PHE  29          HB3       PHE  29   8.668   6.877   1.051
  233    HD1  PHE  29           HD1      PHE  29   8.347   7.236  -2.518
  234    HD2  PHE  29           HD2      PHE  29   6.371   5.946   1.017
  235    HE1  PHE  29           HE1      PHE  29   6.771   5.931  -3.880
  236    HE2  PHE  29           HE2      PHE  29   4.788   4.642  -0.336
  237    HZ   PHE  29           HZ       PHE  29   4.962   4.681  -2.807
  238    H    HIS  30           HN       HIS  30   9.832  10.273  -0.083
  239    HA   HIS  30           HA       HIS  30  11.404  11.582   0.892
  240   1HB   HIS  30          HB2       HIS  30   9.153  12.346   2.083
  241   2HB   HIS  30          HB3       HIS  30   9.932  11.643   3.495
  242    HD1  HIS  30           HD1      HIS  30  10.600  13.667   4.791
  243    HD2  HIS  30           HD2      HIS  30  11.654  13.938   0.775
  244    HE1  HIS  30           HE1      HIS  30  11.954  15.781   4.584
  245    HE2  HIS  30           HE2      HIS  30  12.437  16.008   2.113
  246    H    CYS  31           HN       CYS  31  11.617   8.765   1.004
  247    HA   CYS  31           HA       CYS  31  12.619   7.011   1.993
  248   1HB   CYS  31          HB2       CYS  31  14.370   9.150   3.221
  249   2HB   CYS  31          HB3       CYS  31  14.756   7.444   3.097
  250    H    LYS  32           HN       LYS  32  10.340   7.397   3.252
  251    HA   LYS  32           HA       LYS  32  10.447   7.600   6.058
  252   1HB   LYS  32          HB2       LYS  32   8.262   6.787   6.066
  253   2HB   LYS  32          HB3       LYS  32   8.395   7.513   4.473
  254   1HG   LYS  32          HG2       LYS  32   8.683   4.573   5.075
  255   2HG   LYS  32          HG3       LYS  32   7.239   5.357   4.445
  256   1HD   LYS  32          HD2       LYS  32   8.158   5.703   2.367
  257   2HD   LYS  32          HD3       LYS  32   9.814   5.673   2.980
  258   1HE   LYS  32          HE2       LYS  32   7.981   3.292   2.779
  259   2HE   LYS  32          HE3       LYS  32   9.274   3.685   1.646
  260   1HZ   LYS  32          HZ1       LYS  32   9.587   3.029   4.523
  261   2HZ   LYS  32          HZ2       LYS  32  10.848   3.532   3.517
  262   3HZ   LYS  32          HZ3       LYS  32  10.055   2.064   3.214
  263    H    ASP  33           HN       ASP  33   9.868   5.591   7.490
  264    HA   ASP  33           HA       ASP  33  12.160   3.925   7.419
  265   1HB   ASP  33          HB2       ASP  33  11.282   2.870   9.406
  266   2HB   ASP  33          HB3       ASP  33  11.008   4.602   9.517
  267    H    LYS  34           HN       LYS  34   8.696   3.115   6.954
  268    HA   LYS  34           HA       LYS  34   9.515   0.987   5.135
  269   1HB   LYS  34          HB2       LYS  34   8.006  -0.659   6.333
  270   2HB   LYS  34          HB3       LYS  34   9.543  -0.296   7.097
  271   1HG   LYS  34          HG2       LYS  34   7.962  -0.374   8.824
  272   2HG   LYS  34          HG3       LYS  34   8.295   1.335   8.560
  273   1HD   LYS  34          HD2       LYS  34   6.238   1.536   7.259
  274   2HD   LYS  34          HD3       LYS  34   5.915  -0.183   7.493
  275   1HE   LYS  34          HE2       LYS  34   4.606   1.125   9.054
  276   2HE   LYS  34          HE3       LYS  34   5.820   0.186   9.924
  277   1HZ   LYS  34          HZ1       LYS  34   6.023   3.067   9.225
  278   2HZ   LYS  34          HZ2       LYS  34   7.201   2.176  10.059
  279   3HZ   LYS  34          HZ3       LYS  34   5.678   2.442  10.762
  280    H    ASN  35           HN       ASN  35   7.646  -0.063   4.063
  281    HA   ASN  35           HA       ASN  35   5.091   1.243   4.125
  282   1HB   ASN  35          HB2       ASN  35   6.406   2.868   2.755
  283   2HB   ASN  35          HB3       ASN  35   6.781   1.567   1.632
  284   1HD2  ASN  35          HD21      ASN  35   5.752   2.443  -0.097
  285   2HD2  ASN  35          HD22      ASN  35   4.034   2.605  -0.208
  286    H    THR  36           HN       THR  36   3.561  -0.134   3.383
  287    HA   THR  36           HA       THR  36   4.485  -2.607   2.113
  288    HB   THR  36           HB       THR  36   1.769  -2.076   3.330
  289    HG1  THR  36           HG1      THR  36   4.233  -2.793   4.497
  290   1HG2  THR  36          HG21      THR  36   3.239  -4.639   2.701
  291   2HG2  THR  36          HG22      THR  36   1.890  -3.973   1.780
  292   3HG2  THR  36          HG23      THR  36   1.641  -4.517   3.440
  293    H    PHE  37           HN       PHE  37   4.300  -2.687  -0.027
  294    HA   PHE  37           HA       PHE  37   2.235  -1.111  -1.376
  295   1HB   PHE  37          HB2       PHE  37   4.530  -2.736  -2.502
  296   2HB   PHE  37          HB3       PHE  37   3.402  -1.784  -3.457
  297    HD1  PHE  37           HD1      PHE  37   6.106  -1.571  -0.934
  298    HD2  PHE  37           HD2      PHE  37   3.712   0.528  -3.765
  299    HE1  PHE  37           HE1      PHE  37   7.527   0.408  -0.665
  300    HE2  PHE  37           HE2      PHE  37   5.152   2.507  -3.511
  301    HZ   PHE  37           HZ       PHE  37   7.168   2.370  -2.080
  302    H    ILE  38           HN       ILE  38   0.741  -2.035  -2.767
  303    HA   ILE  38           HA       ILE  38   0.144  -4.861  -2.209
  304    HB   ILE  38           HB       ILE  38  -1.715  -2.677  -3.177
  305   1HG1  ILE  38          HG12      ILE  38  -1.652  -3.915  -0.427
  306   2HG1  ILE  38          HG13      ILE  38  -0.764  -2.446  -0.815
  307   1HG2  ILE  38          HG21      ILE  38  -3.502  -4.250  -2.681
  308   2HG2  ILE  38          HG22      ILE  38  -2.382  -4.939  -3.854
  309   3HG2  ILE  38          HG23      ILE  38  -2.322  -5.457  -2.169
  310   1HD1  ILE  38          HD11      ILE  38  -2.892  -1.962   0.249
  311   2HD1  ILE  38          HD12      ILE  38  -2.842  -1.331  -1.397
  312   3HD1  ILE  38          HD13      ILE  38  -3.741  -2.806  -1.045
  313    H    TYR  39           HN       TYR  39   0.684  -6.186  -3.839
  314    HA   TYR  39           HA       TYR  39   0.854  -5.226  -6.558
  315   1HB   TYR  39          HB2       TYR  39   2.479  -6.876  -5.872
  316   2HB   TYR  39          HB3       TYR  39   1.210  -7.984  -5.368
  317    HD1  TYR  39           HD1      TYR  39   2.289  -6.141  -8.447
  318    HD2  TYR  39           HD2      TYR  39   0.695  -9.716  -6.785
  319    HE1  TYR  39           HE1      TYR  39   2.337  -7.192 -10.672
  320    HE2  TYR  39           HE2      TYR  39   0.733 -10.773  -9.002
  321    HH   TYR  39           HH       TYR  39   0.911 -10.353 -11.246
  322    H    SER  40           HN       SER  40  -1.161  -4.566  -7.027
  323    HA   SER  40           HA       SER  40  -2.967  -6.416  -8.142
  324   1HB   SER  40          HB2       SER  40  -3.570  -6.826  -5.766
  325   2HB   SER  40          HB3       SER  40  -3.872  -5.104  -5.548
  326    HG   SER  40           HG       SER  40  -5.596  -5.252  -6.971
  327    H    ARG  41           HN       ARG  41  -4.701  -5.256  -9.262
  328    HA   ARG  41           HA       ARG  41  -3.905  -2.627  -9.991
  329   1HB   ARG  41          HB2       ARG  41  -6.351  -4.232 -10.639
  330   2HB   ARG  41          HB3       ARG  41  -6.147  -2.588 -11.194
  331   1HG   ARG  41          HG2       ARG  41  -4.246  -4.834 -11.786
  332   2HG   ARG  41          HG3       ARG  41  -5.506  -4.261 -12.882
  333   1HD   ARG  41          HD2       ARG  41  -4.485  -2.024 -12.837
  334   2HD   ARG  41          HD3       ARG  41  -3.202  -2.645 -11.802
  335    HE   ARG  41           HE       ARG  41  -2.827  -4.241 -13.806
  336   1HH1  ARG  41          HH12      ARG  41  -3.858  -0.904 -14.006
  337   2HH1  ARG  41          HH11      ARG  41  -3.091  -0.616 -15.541
  338   1HH2  ARG  41          HH22      ARG  41  -1.804  -3.884 -15.801
  339   2HH2  ARG  41          HH21      ARG  41  -1.883  -2.316 -16.551
  340    HA   PRO  42           HA       PRO  42  -5.849  -0.003  -7.107
  341   1HB   PRO  42          HB2       PRO  42  -6.815   1.877  -8.941
  342   2HB   PRO  42          HB3       PRO  42  -5.225   1.889  -8.177
  343   1HG   PRO  42          HG2       PRO  42  -6.023   1.006 -10.886
  344   2HG   PRO  42          HG3       PRO  42  -4.496   1.697 -10.331
  345   1HD   PRO  42          HD2       PRO  42  -4.821  -0.945 -10.907
  346   2HD   PRO  42          HD3       PRO  42  -3.659  -0.339  -9.702
  347    H    GLU  43           HN       GLU  43  -7.683  -0.979  -9.989
  348    HA   GLU  43           HA       GLU  43 -10.193  -0.110  -9.046
  349   1HB   GLU  43          HB2       GLU  43  -9.620  -2.352 -10.983
  350   2HB   GLU  43          HB3       GLU  43 -11.164  -1.572 -10.751
  351   1HG   GLU  43          HG2       GLU  43 -10.493  -0.434 -12.579
  352   2HG   GLU  43          HG3       GLU  43  -9.727   0.579 -11.356
  353    HA   PRO  44           HA       PRO  44 -10.688  -4.817  -7.502
  354   1HB   PRO  44          HB2       PRO  44  -7.856  -5.248  -7.022
  355   2HB   PRO  44          HB3       PRO  44  -9.079  -6.384  -7.524
  356   1HG   PRO  44          HG2       PRO  44  -7.245  -5.396  -9.227
  357   2HG   PRO  44          HG3       PRO  44  -8.885  -5.852  -9.728
  358   1HD   PRO  44          HD2       PRO  44  -7.697  -3.205  -9.380
  359   2HD   PRO  44          HD3       PRO  44  -9.059  -3.689 -10.382
  360    H    VAL  45           HN       VAL  45  -8.250  -2.520  -6.448
  361    HA   VAL  45           HA       VAL  45  -8.517  -3.338  -3.670
  362    HB   VAL  45           HB       VAL  45  -6.866  -1.123  -4.915
  363   1HG1  VAL  45          HG11      VAL  45  -5.693  -1.032  -2.761
  364   2HG1  VAL  45          HG12      VAL  45  -7.394  -0.597  -2.597
  365   3HG1  VAL  45          HG13      VAL  45  -6.839  -2.193  -2.093
  366   1HG2  VAL  45          HG21      VAL  45  -6.137  -3.346  -5.590
  367   2HG2  VAL  45          HG22      VAL  45  -4.966  -2.613  -4.492
  368   3HG2  VAL  45          HG23      VAL  45  -6.074  -3.850  -3.902
  369    H    LYS  46           HN       LYS  46  -9.385  -0.603  -5.739
  370    HA   LYS  46           HA       LYS  46 -10.672   0.887  -3.681
  371   1HB   LYS  46          HB2       LYS  46  -9.970   1.760  -5.958
  372   2HB   LYS  46          HB3       LYS  46 -11.356   0.912  -6.626
  373   1HG   LYS  46          HG2       LYS  46 -12.856   2.253  -5.248
  374   2HG   LYS  46          HG3       LYS  46 -11.468   3.097  -4.556
  375   1HD   LYS  46          HD2       LYS  46 -10.850   3.818  -6.858
  376   2HD   LYS  46          HD3       LYS  46 -12.369   3.123  -7.430
  377   1HE   LYS  46          HE2       LYS  46 -12.104   5.291  -5.353
  378   2HE   LYS  46          HE3       LYS  46 -12.533   5.543  -7.042
  379   1HZ   LYS  46          HZ1       LYS  46 -14.478   5.518  -5.611
  380   2HZ   LYS  46          HZ2       LYS  46 -14.106   3.948  -5.088
  381   3HZ   LYS  46          HZ3       LYS  46 -14.523   4.227  -6.709
  382    H    ALA  47           HN       ALA  47 -11.467  -1.867  -5.561
  383    HA   ALA  47           HA       ALA  47 -14.270  -1.868  -5.349
  384   1HB   ALA  47          HB1       ALA  47 -14.063  -4.303  -5.782
  385   2HB   ALA  47          HB2       ALA  47 -13.135  -3.314  -6.913
  386   3HB   ALA  47          HB3       ALA  47 -12.312  -4.153  -5.596
  387    H    ILE  48           HN       ILE  48 -11.755  -2.630  -3.092
  388    HA   ILE  48           HA       ILE  48 -13.243  -4.192  -1.267
  389    HB   ILE  48           HB       ILE  48 -10.904  -2.365  -0.666
  390   1HG1  ILE  48          HG12      ILE  48 -10.884  -5.312  -1.365
  391   2HG1  ILE  48          HG13      ILE  48 -10.512  -4.030  -2.514
  392   1HG2  ILE  48          HG21      ILE  48 -11.933  -4.798   0.795
  393   2HG2  ILE  48          HG22      ILE  48 -10.513  -3.848   1.231
  394   3HG2  ILE  48          HG23      ILE  48 -12.120  -3.127   1.324
  395   1HD1  ILE  48          HD11      ILE  48  -8.997  -4.645   0.009
  396   2HD1  ILE  48          HD12      ILE  48  -8.494  -5.039  -1.636
  397   3HD1  ILE  48          HD13      ILE  48  -8.620  -3.353  -1.132
  398    H    CYS  49           HN       CYS  49 -12.951  -0.762  -1.830
  399    HA   CYS  49           HA       CYS  49 -14.496  -0.187   0.591
  400   1HB   CYS  49          HB2       CYS  49 -12.889   1.618  -1.221
  401   2HB   CYS  49          HB3       CYS  49 -13.768   2.152   0.211
  402    H    LYS  50           HN       LYS  50 -15.338  -1.100  -2.278
  403    HA   LYS  50           HA       LYS  50 -16.934   0.941  -3.383
  404   1HB   LYS  50          HB2       LYS  50 -16.313  -1.094  -4.612
  405   2HB   LYS  50          HB3       LYS  50 -17.310  -2.058  -3.531
  406   1HG   LYS  50          HG2       LYS  50 -19.300  -0.857  -4.315
  407   2HG   LYS  50          HG3       LYS  50 -18.290   0.081  -5.415
  408   1HD   LYS  50          HD2       LYS  50 -18.509  -2.926  -5.459
  409   2HD   LYS  50          HD3       LYS  50 -19.452  -1.848  -6.488
  410   1HE   LYS  50          HE2       LYS  50 -16.438  -1.918  -6.417
  411   2HE   LYS  50          HE3       LYS  50 -17.421  -2.805  -7.582
  412   1HZ   LYS  50          HZ1       LYS  50 -18.330  -0.707  -8.361
  413   2HZ   LYS  50          HZ2       LYS  50 -16.640  -0.715  -8.503
  414   3HZ   LYS  50          HZ3       LYS  50 -17.383   0.150  -7.249
  415    H    GLY  51           HN       GLY  51 -18.446   1.983  -2.276
  416   1HA   GLY  51          HA1       GLY  51 -20.722   2.027  -1.577
  417   2HA   GLY  51          HA2       GLY  51 -20.542   0.381  -0.991
  418    H    ILE  52           HN       ILE  52 -17.829   2.026  -0.048
  419    HA   ILE  52           HA       ILE  52 -19.001   2.506   2.607
  420    HB   ILE  52           HB       ILE  52 -16.054   2.301   2.009
  421   1HG1  ILE  52          HG12      ILE  52 -17.124   0.219   1.252
  422   2HG1  ILE  52          HG13      ILE  52 -16.148  -0.052   2.688
  423   1HG2  ILE  52          HG21      ILE  52 -16.673   3.322   4.131
  424   2HG2  ILE  52          HG22      ILE  52 -17.654   1.914   4.536
  425   3HG2  ILE  52          HG23      ILE  52 -15.903   1.757   4.390
  426   1HD1  ILE  52          HD11      ILE  52 -18.240  -1.278   2.790
  427   2HD1  ILE  52          HD12      ILE  52 -18.164  -0.057   4.062
  428   3HD1  ILE  52          HD13      ILE  52 -19.142   0.226   2.619
  429    H    ILE  53           HN       ILE  53 -19.741   4.602   2.390
  430    HA   ILE  53           HA       ILE  53 -18.075   6.660   1.255
  431    HB   ILE  53           HB       ILE  53 -20.821   6.653   2.483
  432   1HG1  ILE  53          HG12      ILE  53 -21.487   7.406   0.243
  433   2HG1  ILE  53          HG13      ILE  53 -19.813   7.366  -0.279
  434   1HG2  ILE  53          HG21      ILE  53 -20.998   9.042   1.980
  435   2HG2  ILE  53          HG22      ILE  53 -19.763   8.719   3.197
  436   3HG2  ILE  53          HG23      ILE  53 -19.291   9.069   1.534
  437   1HD1  ILE  53          HD11      ILE  53 -21.474   5.004   0.565
  438   2HD1  ILE  53          HD12      ILE  53 -21.032   5.439  -1.088
  439   3HD1  ILE  53          HD13      ILE  53 -19.783   4.949   0.059
  440    H    ALA  54           HN       ALA  54 -19.455   5.976   4.470
  441    HA   ALA  54           HA       ALA  54 -18.056   8.132   5.717
  442   1HB   ALA  54          HB1       ALA  54 -20.153   7.248   6.627
  443   2HB   ALA  54          HB2       ALA  54 -19.350   5.718   6.982
  444   3HB   ALA  54          HB3       ALA  54 -18.851   7.192   7.814
  445    H    SER  55           HN       SER  55 -16.138   8.159   6.718
  446    HA   SER  55           HA       SER  55 -14.087   6.520   5.934
  447   1HB   SER  55          HB2       SER  55 -14.011   7.899   8.586
  448   2HB   SER  55          HB3       SER  55 -12.775   7.821   7.329
  449    HG   SER  55           HG       SER  55 -13.562   9.568   6.488
  450    H    LYS  56           HN       LYS  56 -13.994   4.382   6.261
  451    HA   LYS  56           HA       LYS  56 -14.276   3.347   8.992
  452   1HB   LYS  56          HB2       LYS  56 -16.460   3.028   7.973
  453   2HB   LYS  56          HB3       LYS  56 -15.729   2.279   6.561
  454   1HG   LYS  56          HG2       LYS  56 -14.887   0.467   8.077
  455   2HG   LYS  56          HG3       LYS  56 -15.876   1.178   9.355
  456   1HD   LYS  56          HD2       LYS  56 -17.879   0.841   8.032
  457   2HD   LYS  56          HD3       LYS  56 -16.916   0.224   6.689
  458   1HE   LYS  56          HE2       LYS  56 -16.152  -1.623   8.148
  459   2HE   LYS  56          HE3       LYS  56 -17.226  -1.027   9.414
  460   1HZ   LYS  56          HZ1       LYS  56 -18.277  -2.813   8.208
  461   2HZ   LYS  56          HZ2       LYS  56 -18.044  -2.014   6.733
  462   3HZ   LYS  56          HZ3       LYS  56 -19.102  -1.366   7.888
  463    H    ASN  57           HN       ASN  57 -12.510   2.209   9.452
  464    HA   ASN  57           HA       ASN  57 -10.793   1.124   7.432
  465   1HB   ASN  57          HB2       ASN  57  -9.667  -0.014   9.437
  466   2HB   ASN  57          HB3       ASN  57  -9.643   1.754   9.396
  467   1HD2  ASN  57          HD21      ASN  57  -9.375  -0.130  11.617
  468   2HD2  ASN  57          HD22      ASN  57 -10.598   0.302  12.757
  469    H    VAL  58           HN       VAL  58 -10.997  -0.747   6.424
  470    HA   VAL  58           HA       VAL  58 -12.596  -2.854   7.720
  471    HB   VAL  58           HB       VAL  58 -13.537  -3.512   5.610
  472   1HG1  VAL  58          HG11      VAL  58 -14.743  -1.776   6.783
  473   2HG1  VAL  58          HG12      VAL  58 -13.787  -0.538   5.969
  474   3HG1  VAL  58          HG13      VAL  58 -14.891  -1.552   5.040
  475   1HG2  VAL  58          HG21      VAL  58 -13.129  -2.269   3.532
  476   2HG2  VAL  58          HG22      VAL  58 -11.897  -1.321   4.364
  477   3HG2  VAL  58          HG23      VAL  58 -11.672  -3.057   4.145
  478    H    LEU  59           HN       LEU  59 -11.796  -4.887   7.646
  479    HA   LEU  59           HA       LEU  59  -9.100  -5.238   6.607
  480   1HB   LEU  59          HB2       LEU  59  -9.687  -5.817   8.957
  481   2HB   LEU  59          HB3       LEU  59 -10.797  -7.018   8.356
  482    HG   LEU  59           HG       LEU  59  -8.488  -7.750   9.228
  483   1HD1  LEU  59          HD11      LEU  59  -9.485  -8.728   6.570
  484   2HD1  LEU  59          HD12      LEU  59  -8.397  -9.601   7.650
  485   3HD1  LEU  59          HD13      LEU  59 -10.051  -9.254   8.155
  486   1HD2  LEU  59          HD21      LEU  59  -7.719  -6.894   6.453
  487   2HD2  LEU  59          HD22      LEU  59  -7.200  -6.117   7.951
  488   3HD2  LEU  59          HD23      LEU  59  -6.709  -7.776   7.602
  489    H    THR  60           HN       THR  60  -8.615  -6.621   4.956
  490    HA   THR  60           HA       THR  60 -10.753  -7.160   3.138
  491    HB   THR  60           HB       THR  60  -8.973  -8.091   1.665
  492    HG1  THR  60           HG1      THR  60  -7.227  -8.737   2.656
  493   1HG2  THR  60          HG21      THR  60  -9.529  -5.729   1.562
  494   2HG2  THR  60          HG22      THR  60  -7.796  -5.954   1.332
  495   3HG2  THR  60          HG23      THR  60  -8.412  -5.388   2.883
  496    H    THR  61           HN       THR  61 -11.456  -9.106   2.317
  497    HA   THR  61           HA       THR  61 -11.673 -11.207   4.217
  498    HB   THR  61           HB       THR  61 -12.921 -12.345   2.346
  499    HG1  THR  61           HG1      THR  61 -12.119 -11.535   0.492
  500   1HG2  THR  61          HG21      THR  61 -14.795 -10.747   2.365
  501   2HG2  THR  61          HG22      THR  61 -13.716  -9.504   3.001
  502   3HG2  THR  61          HG23      THR  61 -14.085 -10.931   3.970
  503    H    SER  62           HN       SER  62  -9.535 -10.570   1.618
  504    HA   SER  62           HA       SER  62  -8.499 -13.320   1.710
  505   1HB   SER  62          HB2       SER  62  -8.620 -11.610  -0.783
  506   2HB   SER  62          HB3       SER  62  -8.200 -13.318  -0.672
  507    HG   SER  62           HG       SER  62 -10.288 -13.343  -1.284
  508    H    GLU  63           HN       GLU  63  -6.218 -13.494   1.081
  509    HA   GLU  63           HA       GLU  63  -4.720 -11.167   1.979
  510   1HB   GLU  63          HB2       GLU  63  -3.638 -13.910   1.310
  511   2HB   GLU  63          HB3       GLU  63  -2.825 -12.630   2.197
  512   1HG   GLU  63          HG2       GLU  63  -4.553 -12.799   3.954
  513   2HG   GLU  63          HG3       GLU  63  -5.233 -14.172   3.102
  514    H    PHE  64           HN       PHE  64  -3.493  -9.939   0.724
  515    HA   PHE  64           HA       PHE  64  -3.520 -10.538  -2.151
  516   1HB   PHE  64          HB2       PHE  64  -3.206  -7.950  -0.635
  517   2HB   PHE  64          HB3       PHE  64  -2.930  -8.080  -2.365
  518    HD1  PHE  64           HD1      PHE  64  -4.723  -8.007  -3.881
  519    HD2  PHE  64           HD2      PHE  64  -5.491  -8.497   0.276
  520    HE1  PHE  64           HE1      PHE  64  -7.123  -7.661  -4.287
  521    HE2  PHE  64           HE2      PHE  64  -7.894  -8.152  -0.123
  522    HZ   PHE  64           HZ       PHE  64  -8.708  -7.708  -2.413
  523    H    TYR  65           HN       TYR  65  -1.592  -9.748  -3.355
  524    HA   TYR  65           HA       TYR  65   0.768 -10.856  -2.125
  525   1HB   TYR  65          HB2       TYR  65   0.524  -9.543  -4.839
  526   2HB   TYR  65          HB3       TYR  65   1.787 -10.644  -4.299
  527    HD1  TYR  65           HD1      TYR  65  -1.233 -10.374  -6.079
  528    HD2  TYR  65           HD2      TYR  65   0.944 -13.034  -3.572
  529    HE1  TYR  65           HE1      TYR  65  -2.530 -12.263  -6.967
  530    HE2  TYR  65           HE2      TYR  65  -0.353 -14.930  -4.447
  531    HH   TYR  65           HH       TYR  65  -2.353 -15.447  -5.579
  532    H    LEU  66           HN       LEU  66   1.671  -9.559  -0.639
  533    HA   LEU  66           HA       LEU  66   1.754  -6.682  -1.180
  534   1HB   LEU  66          HB2       LEU  66   2.213  -8.151   1.415
  535   2HB   LEU  66          HB3       LEU  66   2.141  -6.411   1.211
  536    HG   LEU  66           HG       LEU  66  -0.142  -8.335   0.785
  537   1HD1  LEU  66          HD11      LEU  66   0.442  -8.026   3.134
  538   2HD1  LEU  66          HD12      LEU  66   0.349  -6.277   2.931
  539   3HD1  LEU  66          HD13      LEU  66  -1.102  -7.263   2.757
  540   1HD2  LEU  66          HD21      LEU  66  -1.507  -6.292   0.545
  541   2HD2  LEU  66          HD22      LEU  66  -0.029  -5.329   0.561
  542   3HD2  LEU  66          HD23      LEU  66  -0.323  -6.475  -0.749
  543    H    SER  67           HN       SER  67   3.620  -5.521  -1.069
  544    HA   SER  67           HA       SER  67   6.121  -6.996  -0.600
  545   1HB   SER  67          HB2       SER  67   5.757  -4.821  -2.679
  546   2HB   SER  67          HB3       SER  67   7.202  -5.789  -2.397
  547    HG   SER  67           HG       SER  67   6.343  -6.965  -3.933
  548    H    ASP  68           HN       ASP  68   6.938  -6.200   1.214
  549    HA   ASP  68           HA       ASP  68   6.312  -3.428   1.951
  550   1HB   ASP  68          HB2       ASP  68   5.792  -5.276   3.566
  551   2HB   ASP  68          HB3       ASP  68   7.519  -5.607   3.671
  552    H    CYS  69           HN       CYS  69   7.796  -1.929   1.630
  553    HA   CYS  69           HA       CYS  69  10.616  -2.742   1.463
  554   1HB   CYS  69          HB2       CYS  69   9.305  -0.121   0.699
  555   2HB   CYS  69          HB3       CYS  69  10.993  -0.539   0.441
  556    H    ASN  70           HN       ASN  70  11.744  -2.530   3.266
  557    HA   ASN  70           HA       ASN  70  11.120  -0.294   5.063
  558   1HB   ASN  70          HB2       ASN  70  11.709  -1.838   6.985
  559   2HB   ASN  70          HB3       ASN  70  10.173  -2.151   6.189
  560   1HD2  ASN  70          HD21      ASN  70   9.911  -4.021   4.985
  561   2HD2  ASN  70          HD22      ASN  70  11.038  -5.334   5.075
  562    H    VAL  71           HN       VAL  71  12.854   0.484   6.318
  563    HA   VAL  71           HA       VAL  71  15.227   0.566   4.677
  564    HB   VAL  71           HB       VAL  71  14.171   2.622   5.607
  565   1HG1  VAL  71          HG11      VAL  71  13.546   1.824   7.798
  566   2HG1  VAL  71          HG12      VAL  71  15.242   1.612   8.234
  567   3HG1  VAL  71          HG13      VAL  71  14.601   3.229   7.942
  568   1HG2  VAL  71          HG21      VAL  71  16.266   3.723   6.260
  569   2HG2  VAL  71          HG22      VAL  71  17.036   2.143   6.409
  570   3HG2  VAL  71          HG23      VAL  71  16.458   2.699   4.837
  571    H    THR  72           HN       THR  72  17.201  -0.013   5.146
  572    HA   THR  72           HA       THR  72  17.566  -1.943   7.280
  573    HB   THR  72           HB       THR  72  19.791  -2.293   6.195
  574    HG1  THR  72           HG1      THR  72  18.789  -0.392   4.305
  575   1HG2  THR  72          HG21      THR  72  17.855  -3.639   5.516
  576   2HG2  THR  72          HG22      THR  72  18.938  -3.342   4.157
  577   3HG2  THR  72          HG23      THR  72  17.437  -2.430   4.306
  578    H    SER  73           HN       SER  73  20.403  -1.424   7.431
  579    HA   SER  73           HA       SER  73  20.379   0.621   9.469
  580   1HB   SER  73          HB2       SER  73  22.831  -0.089   9.674
  581   2HB   SER  73          HB3       SER  73  21.621  -1.323  10.031
  582    HG   SER  73           HG       SER  73  23.471  -1.188   7.981
  583    H    ARG  74           HN       ARG  74  20.781   0.567   6.178
  584    HA   ARG  74           HA       ARG  74  22.642   2.826   6.196
  585   1HB   ARG  74          HB2       ARG  74  21.814   0.966   3.966
  586   2HB   ARG  74          HB3       ARG  74  22.827   2.388   3.730
  587   1HG   ARG  74          HG2       ARG  74  24.534   1.494   5.129
  588   2HG   ARG  74          HG3       ARG  74  23.503   0.152   5.616
  589   1HD   ARG  74          HD2       ARG  74  23.457  -0.537   3.191
  590   2HD   ARG  74          HD3       ARG  74  24.716   0.666   2.911
  591    HE   ARG  74           HE       ARG  74  25.288  -1.235   5.014
  592   1HH1  ARG  74          HH12      ARG  74  25.652  -0.457   1.616
  593   2HH1  ARG  74          HH11      ARG  74  26.985  -1.552   1.392
  594   1HH2  ARG  74          HH22      ARG  74  27.038  -2.658   4.718
  595   2HH2  ARG  74          HH21      ARG  74  27.784  -2.788   3.146
  596    HA   PRO  75           HA       PRO  75  19.468   5.771   5.837
  597   1HB   PRO  75          HB2       PRO  75  21.343   7.120   3.973
  598   2HB   PRO  75          HB3       PRO  75  20.520   7.743   5.406
  599   1HG   PRO  75          HG2       PRO  75  23.118   7.097   5.463
  600   2HG   PRO  75          HG3       PRO  75  22.059   6.817   6.856
  601   1HD   PRO  75          HD2       PRO  75  23.182   4.860   4.911
  602   2HD   PRO  75          HD3       PRO  75  22.772   4.652   6.624
  603    H    CYS  76           HN       CYS  76  17.729   5.531   4.743
  604    HA   CYS  76           HA       CYS  76  16.209   5.207   3.091
  605   1HB   CYS  76          HB2       CYS  76  17.053   7.497   2.580
  606   2HB   CYS  76          HB3       CYS  76  18.165   6.794   1.420
  607    H    LYS  77           HN       LYS  77  18.413   3.214   3.351
  608    HA   LYS  77           HA       LYS  77  18.204   2.061   0.652
  609   1HB   LYS  77          HB2       LYS  77  20.211   1.528   2.848
  610   2HB   LYS  77          HB3       LYS  77  20.087   0.561   1.381
  611   1HG   LYS  77          HG2       LYS  77  20.667   3.515   1.480
  612   2HG   LYS  77          HG3       LYS  77  21.858   2.238   1.219
  613   1HD   LYS  77          HD2       LYS  77  20.991   1.692  -0.878
  614   2HD   LYS  77          HD3       LYS  77  19.450   2.486  -0.550
  615   1HE   LYS  77          HE2       LYS  77  20.561   4.662  -0.620
  616   2HE   LYS  77          HE3       LYS  77  22.102   3.867  -0.940
  617   1HZ   LYS  77          HZ1       LYS  77  19.806   3.369  -2.718
  618   2HZ   LYS  77          HZ2       LYS  77  21.469   3.291  -3.060
  619   3HZ   LYS  77          HZ3       LYS  77  20.707   4.795  -2.892
  620    H    TYR  78           HN       TYR  78  17.054   0.239   0.374
  621    HA   TYR  78           HA       TYR  78  15.680  -0.721   2.804
  622   1HB   TYR  78          HB2       TYR  78  14.512  -0.246   0.059
  623   2HB   TYR  78          HB3       TYR  78  13.636  -0.878   1.452
  624    HD1  TYR  78           HD1      TYR  78  13.106   0.567   3.338
  625    HD2  TYR  78           HD2      TYR  78  15.035   2.096  -0.127
  626    HE1  TYR  78           HE1      TYR  78  12.558   2.849   4.049
  627    HE2  TYR  78           HE2      TYR  78  14.493   4.388   0.579
  628    HH   TYR  78           HH       TYR  78  13.325   5.104   3.708
  629    H    LYS  79           HN       LYS  79  14.796  -2.803   2.762
  630    HA   LYS  79           HA       LYS  79  15.851  -4.612   0.698
  631   1HB   LYS  79          HB2       LYS  79  15.463  -6.407   2.382
  632   2HB   LYS  79          HB3       LYS  79  16.655  -5.228   2.899
  633   1HG   LYS  79          HG2       LYS  79  15.113  -4.197   4.370
  634   2HG   LYS  79          HG3       LYS  79  13.774  -5.150   3.735
  635   1HD   LYS  79          HD2       LYS  79  14.480  -6.050   5.870
  636   2HD   LYS  79          HD3       LYS  79  14.868  -7.194   4.585
  637   1HE   LYS  79          HE2       LYS  79  17.183  -6.470   4.603
  638   2HE   LYS  79          HE3       LYS  79  16.814  -5.247   5.818
  639   1HZ   LYS  79          HZ1       LYS  79  16.246  -6.981   7.376
  640   2HZ   LYS  79          HZ2       LYS  79  17.817  -7.236   6.784
  641   3HZ   LYS  79          HZ3       LYS  79  16.533  -8.176   6.207
  642    H    LEU  80           HN       LEU  80  14.370  -6.033  -0.299
  643    HA   LEU  80           HA       LEU  80  11.609  -5.157  -0.152
  644   1HB   LEU  80          HB2       LEU  80  13.277  -6.395  -2.128
  645   2HB   LEU  80          HB3       LEU  80  11.840  -7.356  -1.893
  646    HG   LEU  80           HG       LEU  80  11.788  -4.426  -2.484
  647   1HD1  LEU  80          HD11      LEU  80  11.159  -5.065  -4.763
  648   2HD1  LEU  80          HD12      LEU  80  12.784  -5.613  -4.354
  649   3HD1  LEU  80          HD13      LEU  80  11.442  -6.757  -4.354
  650   1HD2  LEU  80          HD21      LEU  80   9.444  -4.811  -2.987
  651   2HD2  LEU  80          HD22      LEU  80   9.632  -6.520  -2.586
  652   3HD2  LEU  80          HD23      LEU  80   9.817  -5.294  -1.331
  653    H    LYS  81           HN       LYS  81   9.925  -6.296   0.578
  654    HA   LYS  81           HA       LYS  81  10.425  -8.992   1.653
  655   1HB   LYS  81          HB2       LYS  81  10.337  -7.442   3.522
  656   2HB   LYS  81          HB3       LYS  81   8.846  -6.740   2.912
  657   1HG   LYS  81          HG2       LYS  81   7.758  -8.965   3.243
  658   2HG   LYS  81          HG3       LYS  81   9.240  -9.496   4.039
  659   1HD   LYS  81          HD2       LYS  81   8.998  -7.799   5.731
  660   2HD   LYS  81          HD3       LYS  81   7.605  -7.111   4.892
  661   1HE   LYS  81          HE2       LYS  81   6.779  -8.422   6.703
  662   2HE   LYS  81          HE3       LYS  81   6.438  -9.297   5.212
  663   1HZ   LYS  81          HZ1       LYS  81   8.634  -9.853   7.132
  664   2HZ   LYS  81          HZ2       LYS  81   8.449 -10.641   5.643
  665   3HZ   LYS  81          HZ3       LYS  81   7.266 -10.810   6.843
  666    H    LYS  82           HN       LYS  82   9.387 -10.210   0.188
  667    HA   LYS  82           HA       LYS  82   6.802  -9.350  -0.846
  668   1HB   LYS  82          HB2       LYS  82   8.503 -11.732  -1.598
  669   2HB   LYS  82          HB3       LYS  82   7.091 -11.141  -2.467
  670   1HG   LYS  82          HG2       LYS  82   8.232  -9.118  -3.065
  671   2HG   LYS  82          HG3       LYS  82   9.612  -9.547  -2.054
  672   1HD   LYS  82          HD2       LYS  82  10.002 -11.521  -3.482
  673   2HD   LYS  82          HD3       LYS  82   8.667 -11.007  -4.509
  674   1HE   LYS  82          HE2       LYS  82   9.852  -8.916  -4.999
  675   2HE   LYS  82          HE3       LYS  82  11.183  -9.435  -3.968
  676   1HZ   LYS  82          HZ1       LYS  82  11.830  -9.925  -6.150
  677   2HZ   LYS  82          HZ2       LYS  82  10.323 -10.583  -6.560
  678   3HZ   LYS  82          HZ3       LYS  82  11.353 -11.420  -5.501
  679    H    SER  83           HN       SER  83   5.014  -9.982   0.162
  680    HA   SER  83           HA       SER  83   4.917 -12.652   1.383
  681   1HB   SER  83          HB2       SER  83   3.878 -10.181   2.790
  682   2HB   SER  83          HB3       SER  83   4.029 -11.811   3.446
  683    HG   SER  83           HG       SER  83   6.161 -11.556   3.670
  684    H    THR  84           HN       THR  84   2.564 -13.099   2.117
  685    HA   THR  84           HA       THR  84   0.597 -11.693   0.429
  686    HB   THR  84           HB       THR  84   0.426 -14.664   0.930
  687    HG1  THR  84           HG1      THR  84   2.022 -13.253  -0.857
  688   1HG2  THR  84          HG21      THR  84  -0.789 -12.821  -1.134
  689   2HG2  THR  84          HG22      THR  84  -1.629 -13.574   0.221
  690   3HG2  THR  84          HG23      THR  84  -1.000 -14.571  -1.093
  691    H    ASN  85           HN       ASN  85  -0.774 -10.734   1.772
  692    HA   ASN  85           HA       ASN  85  -1.949 -12.141   4.005
  693   1HB   ASN  85          HB2       ASN  85   0.323 -10.414   4.443
  694   2HB   ASN  85          HB3       ASN  85  -1.113  -9.693   5.150
  695   1HD2  ASN  85          HD21      ASN  85  -0.260  -9.971   7.201
  696   2HD2  ASN  85          HD22      ASN  85  -0.242 -11.512   7.985
  697    H    LYS  86           HN       LYS  86  -3.719 -10.966   4.940
  698    HA   LYS  86           HA       LYS  86  -5.099  -9.267   3.101
  699   1HB   LYS  86          HB2       LYS  86  -5.780  -9.684   6.013
  700   2HB   LYS  86          HB3       LYS  86  -6.872  -9.316   4.683
  701   1HG   LYS  86          HG2       LYS  86  -6.426 -11.520   3.718
  702   2HG   LYS  86          HG3       LYS  86  -5.369 -11.890   5.081
  703   1HD   LYS  86          HD2       LYS  86  -7.362 -11.448   6.567
  704   2HD   LYS  86          HD3       LYS  86  -8.327 -11.424   5.100
  705   1HE   LYS  86          HE2       LYS  86  -8.397 -13.619   6.137
  706   2HE   LYS  86          HE3       LYS  86  -7.590 -13.682   4.575
  707   1HZ   LYS  86          HZ1       LYS  86  -6.429 -14.973   6.298
  708   2HZ   LYS  86          HZ2       LYS  86  -6.190 -13.550   7.194
  709   3HZ   LYS  86          HZ3       LYS  86  -5.464 -13.729   5.676
  710    H    PHE  87           HN       PHE  87  -6.068  -7.119   4.102
  711    HA   PHE  87           HA       PHE  87  -4.347  -5.854   6.032
  712   1HB   PHE  87          HB2       PHE  87  -3.847  -3.895   4.517
  713   2HB   PHE  87          HB3       PHE  87  -2.966  -5.376   4.173
  714    HD1  PHE  87           HD1      PHE  87  -2.992  -6.294   2.047
  715    HD2  PHE  87           HD2      PHE  87  -5.916  -3.388   3.091
  716    HE1  PHE  87           HE1      PHE  87  -3.731  -6.197  -0.297
  717    HE2  PHE  87           HE2      PHE  87  -6.661  -3.291   0.749
  718    HZ   PHE  87           HZ       PHE  87  -5.566  -4.699  -0.951
  719    H    CYS  88           HN       CYS  88  -5.157  -3.868   6.831
  720    HA   CYS  88           HA       CYS  88  -8.021  -3.533   6.307
  721   1HB   CYS  88          HB2       CYS  88  -7.417  -3.848   8.648
  722   2HB   CYS  88          HB3       CYS  88  -6.284  -2.505   8.563
  723    H    VAL  89           HN       VAL  89  -8.558  -1.997   4.926
  724    HA   VAL  89           HA       VAL  89  -6.811   0.357   4.689
  725    HB   VAL  89           HB       VAL  89  -8.043   0.783   2.527
  726   1HG1  VAL  89          HG11      VAL  89  -5.810  -0.170   2.562
  727   2HG1  VAL  89          HG12      VAL  89  -6.483  -1.788   2.750
  728   3HG1  VAL  89          HG13      VAL  89  -6.765  -0.882   1.264
  729   1HG2  VAL  89          HG21      VAL  89  -9.193  -1.131   1.481
  730   2HG2  VAL  89          HG22      VAL  89  -9.030  -2.034   2.988
  731   3HG2  VAL  89          HG23      VAL  89 -10.021  -0.576   2.938
  732    H    THR  90           HN       THR  90  -7.619   2.370   5.065
  733    HA   THR  90           HA       THR  90 -10.186   2.524   6.366
  734    HB   THR  90           HB       THR  90  -8.389   4.825   5.569
  735    HG1  THR  90           HG1      THR  90  -8.194   2.940   7.620
  736   1HG2  THR  90          HG21      THR  90  -9.479   5.968   7.451
  737   2HG2  THR  90          HG22      THR  90 -10.490   4.549   7.723
  738   3HG2  THR  90          HG23      THR  90 -10.653   5.472   6.230
  739    H    CYS  91           HN       CYS  91 -11.909   2.365   5.043
  740    HA   CYS  91           HA       CYS  91 -11.812   3.438   2.355
  741   1HB   CYS  91          HB2       CYS  91 -14.026   2.053   3.879
  742   2HB   CYS  91          HB3       CYS  91 -14.065   2.451   2.161
  743    H    GLU  92           HN       GLU  92 -12.407   5.409   1.809
  744    HA   GLU  92           HA       GLU  92 -14.538   6.731   3.323
  745   1HB   GLU  92          HB2       GLU  92 -12.123   7.419   4.029
  746   2HB   GLU  92          HB3       GLU  92 -12.099   8.275   2.497
  747   1HG   GLU  92          HG2       GLU  92 -14.131   9.497   3.207
  748   2HG   GLU  92          HG3       GLU  92 -14.010   8.707   4.772
  749    H    ASN  93           HN       ASN  93 -16.007   7.550   1.979
  750    HA   ASN  93           HA       ASN  93 -17.088   8.170   0.080
  751   1HB   ASN  93          HB2       ASN  93 -14.369   9.241  -0.720
  752   2HB   ASN  93          HB3       ASN  93 -15.892   9.647  -1.501
  753   1HD2  ASN  93          HD21      ASN  93 -13.795  10.246   1.141
  754   2HD2  ASN  93          HD22      ASN  93 -14.725  11.503   1.877
  755    H    GLN  94           HN       GLN  94 -16.048   5.543   0.222
  756    HA   GLN  94           HA       GLN  94 -16.098   3.679  -1.047
  757   1HB   GLN  94          HB2       GLN  94 -16.697   5.584  -3.307
  758   2HB   GLN  94          HB3       GLN  94 -16.721   3.833  -3.455
  759   1HG   GLN  94          HG2       GLN  94 -18.452   3.771  -1.672
  760   2HG   GLN  94          HG3       GLN  94 -18.497   5.530  -1.725
  761   1HE2  GLN  94          HE21      GLN  94 -17.970   3.629  -4.576
  762   2HE2  GLN  94          HE22      GLN  94 -19.516   3.924  -5.300
  763    H    ALA  95           HN       ALA  95 -13.672   5.442  -0.716
  764    HA   ALA  95           HA       ALA  95 -12.013   3.831  -2.503
  765   1HB   ALA  95          HB1       ALA  95 -10.621   5.726  -3.107
  766   2HB   ALA  95          HB2       ALA  95 -12.289   6.014  -3.601
  767   3HB   ALA  95          HB3       ALA  95 -11.644   6.806  -2.161
  768    HA   PRO  96           HA       PRO  96  -9.582   3.264   1.235
  769   1HB   PRO  96          HB2       PRO  96  -7.424   2.727  -0.715
  770   2HB   PRO  96          HB3       PRO  96  -8.030   1.711   0.595
  771   1HG   PRO  96          HG2       PRO  96  -8.555   1.166  -1.982
  772   2HG   PRO  96          HG3       PRO  96  -9.722   0.829  -0.697
  773   1HD   PRO  96          HD2       PRO  96  -9.705   3.023  -2.705
  774   2HD   PRO  96          HD3       PRO  96 -11.076   2.155  -1.990
  775    H    VAL  97           HN       VAL  97  -8.904   5.060   2.259
  776    HA   VAL  97           HA       VAL  97  -7.299   6.994   0.733
  777    HB   VAL  97           HB       VAL  97  -8.024   8.690   2.387
  778   1HG1  VAL  97          HG11      VAL  97 -10.339   8.880   1.583
  779   2HG1  VAL  97          HG12      VAL  97  -9.219   8.470   0.283
  780   3HG1  VAL  97          HG13      VAL  97 -10.253   7.226   0.981
  781   1HG2  VAL  97          HG21      VAL  97  -8.474   7.193   4.262
  782   2HG2  VAL  97          HG22      VAL  97  -9.881   8.192   3.887
  783   3HG2  VAL  97          HG23      VAL  97  -9.838   6.501   3.384
  784    H    HIS  98           HN       HIS  98  -7.402   5.136   3.696
  785    HA   HIS  98           HA       HIS  98  -4.626   5.954   4.219
  786   1HB   HIS  98          HB2       HIS  98  -6.878   5.750   6.219
  787   2HB   HIS  98          HB3       HIS  98  -5.191   5.646   6.705
  788    HD1  HIS  98           HD1      HIS  98  -4.319   7.791   7.529
  789    HD2  HIS  98           HD2      HIS  98  -7.248   8.342   4.626
  790    HE1  HIS  98           HE1      HIS  98  -4.611  10.280   7.318
  791    HE2  HIS  98           HE2      HIS  98  -6.244  10.586   5.422
  792    H    PHE  99           HN       PHE  99  -3.324   4.362   5.239
  793    HA   PHE  99           HA       PHE  99  -4.388   1.643   4.903
  794   1HB   PHE  99          HB2       PHE  99  -2.361   2.375   3.550
  795   2HB   PHE  99          HB3       PHE  99  -1.475   2.432   5.071
  796    HD1  PHE  99           HD1      PHE  99  -0.448   0.532   5.887
  797    HD2  PHE  99           HD2      PHE  99  -3.492   0.146   2.938
  798    HE1  PHE  99           HE1      PHE  99   0.044  -1.868   5.704
  799    HE2  PHE  99           HE2      PHE  99  -3.004  -2.260   2.748
  800    HZ   PHE  99           HZ       PHE  99  -1.245  -3.268   4.090
  801    H    VAL 100           HN       VAL 100  -4.831   0.564   6.686
  802    HA   VAL 100           HA       VAL 100  -4.074   1.674   9.250
  803    HB   VAL 100           HB       VAL 100  -5.825  -0.683   8.538
  804   1HG1  VAL 100          HG11      VAL 100  -5.283   0.606  11.205
  805   2HG1  VAL 100          HG12      VAL 100  -6.638  -0.482  10.890
  806   3HG1  VAL 100          HG13      VAL 100  -4.981  -1.067  10.730
  807   1HG2  VAL 100          HG21      VAL 100  -7.674   0.818   9.180
  808   2HG2  VAL 100          HG22      VAL 100  -6.513   2.129   9.385
  809   3HG2  VAL 100          HG23      VAL 100  -6.770   1.419   7.792
  810    H    GLY 101           HN       GLY 101  -3.874  -1.571   7.762
  811   1HA   GLY 101          HA1       GLY 101  -1.206  -2.060   8.419
  812   2HA   GLY 101          HA2       GLY 101  -2.185  -2.655   9.753
  813    H    VAL 102           HN       VAL 102  -0.831  -4.581   8.647
  814    HA   VAL 102           HA       VAL 102  -2.547  -5.757   6.571
  815    HB   VAL 102           HB       VAL 102  -0.793  -6.904   5.657
  816   1HG1  VAL 102          HG11      VAL 102   0.520  -4.436   6.757
  817   2HG1  VAL 102          HG12      VAL 102   1.103  -5.389   5.392
  818   3HG1  VAL 102          HG13      VAL 102  -0.444  -4.548   5.285
  819   1HG2  VAL 102          HG21      VAL 102  -0.012  -8.095   7.569
  820   2HG2  VAL 102          HG22      VAL 102   1.372  -7.339   6.777
  821   3HG2  VAL 102          HG23      VAL 102   0.705  -6.631   8.249
  822    H    GLY 103           HN       GLY 103  -2.962  -8.024   6.650
  823   1HA   GLY 103          HA1       GLY 103  -3.217 -10.083   7.723
  824   2HA   GLY 103          HA2       GLY 103  -2.549  -9.386   9.195
  825    H    SER 104           HN       SER 104  -3.989  -7.471   9.979
  826    HA   SER 104           HA       SER 104  -6.843  -7.917   9.639
  827   1HB   SER 104          HB2       SER 104  -5.474  -8.137  12.332
  828   2HB   SER 104          HB3       SER 104  -7.209  -8.192  12.047
  829    HG   SER 104           HG       SER 104  -5.811  -9.999  10.540
  830    H    CYS 105           HN       CYS 105  -7.953  -6.280  11.272
  831    HA   CYS 105           HA       CYS 105  -6.499  -3.752  10.938
  832   1HB   CYS 105          HB2       CYS 105  -8.897  -4.145   9.994
  833   2HB   CYS 105          HB3       CYS 105  -9.409  -3.936  11.665
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1  -3.154  16.194   2.665
    2   2H    MET   1           H2       MET   1  -4.506  16.261   3.691
    3   3H    MET   1           H3       MET   1  -4.183  17.544   2.636
    4    HA   MET   1           HA       MET   1  -6.006  16.100   1.907
    5   1HB   MET   1          HB2       MET   1  -5.208  15.880  -0.420
    6   2HB   MET   1          HB3       MET   1  -4.817  17.445   0.275
    7   1HG   MET   1          HG2       MET   1  -2.518  16.629   0.704
    8   2HG   MET   1          HG3       MET   1  -2.937  15.126  -0.118
    9   1HE   MET   1          HE1       MET   1  -0.596  16.837  -2.723
   10   2HE   MET   1          HE2       MET   1  -0.439  16.868  -0.966
   11   3HE   MET   1          HE3       MET   1  -0.925  15.382  -1.781
   12    H    GLN   2           HN       GLN   2  -6.778  14.135   2.007
   13    HA   GLN   2           HA       GLN   2  -4.973  11.868   1.550
   14   1HB   GLN   2          HB2       GLN   2  -5.928  10.593   3.359
   15   2HB   GLN   2          HB3       GLN   2  -5.342  12.118   4.003
   16   1HG   GLN   2          HG2       GLN   2  -8.188  11.921   3.195
   17   2HG   GLN   2          HG3       GLN   2  -7.680  11.128   4.681
   18   1HE2  GLN   2          HE21      GLN   2  -8.948  12.494   5.921
   19   2HE2  GLN   2          HE22      GLN   2  -8.521  14.152   6.203
   20    H    ASP   3           HN       ASP   3  -5.752  10.494   0.056
   21    HA   ASP   3           HA       ASP   3  -8.516   9.979  -0.309
   22   1HB   ASP   3          HB2       ASP   3  -8.984  11.150  -2.316
   23   2HB   ASP   3          HB3       ASP   3  -8.270  12.339  -1.228
   24    H    TRP   4           HN       TRP   4  -8.762   9.154  -2.751
   25    HA   TRP   4           HA       TRP   4  -7.413   6.697  -2.734
   26   1HB   TRP   4          HB2       TRP   4  -9.664   6.946  -3.599
   27   2HB   TRP   4          HB3       TRP   4  -9.096   8.030  -4.864
   28    HD1  TRP   4           HD1      TRP   4  -9.236   6.797  -7.085
   29    HE1  TRP   4           HE1      TRP   4  -8.671   4.435  -7.929
   30    HE3  TRP   4           HE3      TRP   4  -7.782   4.685  -2.665
   31    HZ2  TRP   4           HZ2      TRP   4  -7.714   2.006  -6.859
   32    HZ3  TRP   4           HZ3      TRP   4  -7.058   2.336  -2.657
   33    HH2  TRP   4           HH2      TRP   4  -7.018   1.026  -4.720
   34    H    LEU   5           HN       LEU   5  -6.929   9.622  -4.703
   35    HA   LEU   5           HA       LEU   5  -5.103   8.415  -6.500
   36   1HB   LEU   5          HB2       LEU   5  -5.671  11.273  -5.765
   37   2HB   LEU   5          HB3       LEU   5  -4.413  10.850  -6.910
   38    HG   LEU   5           HG       LEU   5  -6.381  11.475  -8.118
   39   1HD1  LEU   5          HD11      LEU   5  -6.000   8.493  -8.177
   40   2HD1  LEU   5          HD12      LEU   5  -6.806   9.443  -9.424
   41   3HD1  LEU   5          HD13      LEU   5  -5.092   9.690  -9.099
   42   1HD2  LEU   5          HD21      LEU   5  -8.057  11.087  -6.399
   43   2HD2  LEU   5          HD22      LEU   5  -8.506  10.301  -7.912
   44   3HD2  LEU   5          HD23      LEU   5  -7.850   9.345  -6.583
   45    H    THR   6           HN       THR   6  -4.735  10.061  -3.428
   46    HA   THR   6           HA       THR   6  -1.881  10.148  -3.507
   47    HB   THR   6           HB       THR   6  -3.703  10.304  -1.095
   48    HG1  THR   6           HG1      THR   6  -4.367  12.032  -2.200
   49   1HG2  THR   6          HG21      THR   6  -1.861  11.600  -0.108
   50   2HG2  THR   6          HG22      THR   6  -0.896  11.325  -1.557
   51   3HG2  THR   6          HG23      THR   6  -1.348   9.966  -0.528
   52    H    PHE   7           HN       PHE   7  -4.305   8.003  -2.120
   53    HA   PHE   7           HA       PHE   7  -2.647   6.257  -0.701
   54   1HB   PHE   7          HB2       PHE   7  -5.151   6.361  -0.598
   55   2HB   PHE   7          HB3       PHE   7  -5.208   5.574  -2.167
   56    HD1  PHE   7           HD1      PHE   7  -4.740   5.145   1.392
   57    HD2  PHE   7           HD2      PHE   7  -4.483   3.225  -2.400
   58    HE1  PHE   7           HE1      PHE   7  -4.693   2.952   2.507
   59    HE2  PHE   7           HE2      PHE   7  -4.439   1.027  -1.288
   60    HZ   PHE   7           HZ       PHE   7  -4.543   0.892   1.168
   61    H    GLN   8           HN       GLN   8  -3.677   6.259  -4.074
   62    HA   GLN   8           HA       GLN   8  -2.684   3.789  -4.871
   63   1HB   GLN   8          HB2       GLN   8  -3.405   6.312  -6.211
   64   2HB   GLN   8          HB3       GLN   8  -2.334   5.242  -7.095
   65   1HG   GLN   8          HG2       GLN   8  -3.980   3.422  -6.796
   66   2HG   GLN   8          HG3       GLN   8  -5.061   4.576  -6.017
   67   1HE2  GLN   8          HE21      GLN   8  -6.055   6.153  -7.245
   68   2HE2  GLN   8          HE22      GLN   8  -6.115   6.091  -8.971
   69    H    LYS   9           HN       LYS   9  -1.129   6.964  -5.259
   70    HA   LYS   9           HA       LYS   9   1.200   6.229  -6.498
   71   1HB   LYS   9          HB2       LYS   9   0.849   8.324  -4.347
   72   2HB   LYS   9          HB3       LYS   9   2.211   8.236  -5.453
   73   1HG   LYS   9          HG2       LYS   9   0.886   8.831  -7.296
   74   2HG   LYS   9          HG3       LYS   9  -0.617   8.522  -6.420
   75   1HD   LYS   9          HD2       LYS   9  -0.223  10.404  -4.977
   76   2HD   LYS   9          HD3       LYS   9   1.373  10.664  -5.681
   77   1HE   LYS   9          HE2       LYS   9  -1.228  10.877  -7.191
   78   2HE   LYS   9          HE3       LYS   9  -0.351  12.246  -6.508
   79   1HZ   LYS   9          HZ1       LYS   9   0.497  10.453  -8.712
   80   2HZ   LYS   9          HZ2       LYS   9   1.580  11.479  -7.907
   81   3HZ   LYS   9          HZ3       LYS   9   0.269  12.136  -8.757
   82    H    LYS  10           HN       LYS  10   0.383   5.969  -3.122
   83    HA   LYS  10           HA       LYS  10   3.137   5.363  -2.380
   84   1HB   LYS  10          HB2       LYS  10   0.647   5.989  -0.830
   85   2HB   LYS  10          HB3       LYS  10   2.068   5.340  -0.031
   86   1HG   LYS  10          HG2       LYS  10   3.376   7.248  -0.694
   87   2HG   LYS  10          HG3       LYS  10   2.041   7.867  -1.670
   88   1HD   LYS  10          HD2       LYS  10   0.709   8.270   0.268
   89   2HD   LYS  10          HD3       LYS  10   1.850   7.411   1.302
   90   1HE   LYS  10          HE2       LYS  10   2.468   9.955  -0.197
   91   2HE   LYS  10          HE3       LYS  10   1.984   9.883   1.498
   92   1HZ   LYS  10          HZ1       LYS  10   4.254   9.923   1.669
   93   2HZ   LYS  10          HZ2       LYS  10   4.507   9.038   0.252
   94   3HZ   LYS  10          HZ3       LYS  10   3.987   8.251   1.659
   95    H    HIS  11           HN       HIS  11   0.249   3.553  -3.023
   96    HA   HIS  11           HA       HIS  11   1.470   1.291  -1.585
   97   1HB   HIS  11          HB2       HIS  11  -1.413   2.140  -1.435
   98   2HB   HIS  11          HB3       HIS  11  -0.834   0.572  -0.890
   99    HD1  HIS  11           HD1      HIS  11   1.146   0.764   1.034
  100    HD2  HIS  11           HD2      HIS  11  -1.347   4.053   0.472
  101    HE1  HIS  11           HE1      HIS  11   1.363   2.149   3.123
  102    HE2  HIS  11           HE2      HIS  11  -0.205   4.103   2.797
  103    H    ILE  12           HN       ILE  12   0.111   2.313  -4.514
  104    HA   ILE  12           HA       ILE  12  -0.713  -0.422  -5.189
  105    HB   ILE  12           HB       ILE  12  -1.194   2.146  -6.713
  106   1HG1  ILE  12          HG12      ILE  12  -2.470   2.025  -4.632
  107   2HG1  ILE  12          HG13      ILE  12  -3.533   1.865  -6.021
  108   1HG2  ILE  12          HG21      ILE  12  -2.751   0.796  -8.073
  109   2HG2  ILE  12          HG22      ILE  12  -1.072   0.276  -8.239
  110   3HG2  ILE  12          HG23      ILE  12  -2.187  -0.652  -7.236
  111   1HD1  ILE  12          HD11      ILE  12  -2.542  -0.389  -4.289
  112   2HD1  ILE  12          HD12      ILE  12  -4.150   0.336  -4.235
  113   3HD1  ILE  12          HD13      ILE  12  -3.627  -0.544  -5.670
  114    H    THR  13           HN       THR  13   0.930  -1.619  -5.900
  115    HA   THR  13           HA       THR  13   2.645  -0.447  -7.986
  116    HB   THR  13           HB       THR  13   3.980  -0.896  -5.957
  117    HG1  THR  13           HG1      THR  13   5.270  -2.733  -7.210
  118   1HG2  THR  13          HG21      THR  13   4.414  -3.219  -5.267
  119   2HG2  THR  13          HG22      THR  13   3.145  -3.768  -6.364
  120   3HG2  THR  13          HG23      THR  13   2.735  -2.743  -4.988
  121    H    ASN  14           HN       ASN  14   3.025  -1.684  -9.814
  122    HA   ASN  14           HA       ASN  14   1.390  -4.123 -10.037
  123   1HB   ASN  14          HB2       ASN  14   0.853  -2.193 -11.581
  124   2HB   ASN  14          HB3       ASN  14   2.433  -2.431 -12.316
  125   1HD2  ASN  14          HD21      ASN  14   2.741  -4.101 -13.722
  126   2HD2  ASN  14          HD22      ASN  14   1.469  -5.134 -14.268
  127    H    THR  15           HN       THR  15   4.410  -3.223  -9.405
  128    HA   THR  15           HA       THR  15   5.546  -5.560 -10.775
  129    HB   THR  15           HB       THR  15   6.729  -3.465 -11.298
  130    HG1  THR  15           HG1      THR  15   8.755  -4.282 -10.941
  131   1HG2  THR  15          HG21      THR  15   8.032  -2.295  -9.578
  132   2HG2  THR  15          HG22      THR  15   7.314  -3.322  -8.338
  133   3HG2  THR  15          HG23      THR  15   6.302  -2.206  -9.252
  134    H    ARG  16           HN       ARG  16   6.061  -7.256  -9.607
  135    HA   ARG  16           HA       ARG  16   5.176  -7.466  -6.940
  136   1HB   ARG  16          HB2       ARG  16   5.219  -9.352  -8.530
  137   2HB   ARG  16          HB3       ARG  16   6.977  -9.318  -8.510
  138   1HG   ARG  16          HG2       ARG  16   6.081 -11.096  -7.098
  139   2HG   ARG  16          HG3       ARG  16   6.994  -9.905  -6.170
  140   1HD   ARG  16          HD2       ARG  16   4.986  -8.885  -5.369
  141   2HD   ARG  16          HD3       ARG  16   3.995  -9.870  -6.444
  142    HE   ARG  16           HE       ARG  16   4.954 -11.806  -5.058
  143   1HH1  ARG  16          HH12      ARG  16   4.412  -8.597  -3.772
  144   2HH1  ARG  16          HH11      ARG  16   3.987  -9.161  -2.187
  145   1HH2  ARG  16          HH22      ARG  16   4.365 -12.565  -2.978
  146   2HH2  ARG  16          HH21      ARG  16   3.920 -11.422  -1.744
  147    H    ASP  17           HN       ASP  17   8.406  -7.297  -8.366
  148    HA   ASP  17           HA       ASP  17   9.581  -6.929  -5.699
  149   1HB   ASP  17          HB2       ASP  17  10.568  -8.499  -7.489
  150   2HB   ASP  17          HB3       ASP  17  11.045  -7.042  -8.348
  151    H    VAL  18           HN       VAL  18   8.704  -4.851  -5.309
  152    HA   VAL  18           HA       VAL  18   9.059  -2.740  -7.207
  153    HB   VAL  18           HB       VAL  18   7.164  -2.458  -5.838
  154   1HG1  VAL  18          HG11      VAL  18   7.710  -3.857  -3.956
  155   2HG1  VAL  18          HG12      VAL  18   8.954  -2.719  -3.429
  156   3HG1  VAL  18          HG13      VAL  18   7.253  -2.248  -3.389
  157   1HG2  VAL  18          HG21      VAL  18   7.599  -0.308  -4.677
  158   2HG2  VAL  18          HG22      VAL  18   9.328  -0.568  -4.929
  159   3HG2  VAL  18          HG23      VAL  18   8.249  -0.379  -6.314
  160    H    ASP  19           HN       ASP  19  10.643  -1.256  -7.359
  161    HA   ASP  19           HA       ASP  19  13.083  -1.861  -5.966
  162   1HB   ASP  19          HB2       ASP  19  12.867  -1.158  -8.437
  163   2HB   ASP  19          HB3       ASP  19  12.695   0.482  -7.818
  164    H    CYS  20           HN       CYS  20  12.440  -1.372  -3.852
  165    HA   CYS  20           HA       CYS  20  11.384   0.970  -2.884
  166   1HB   CYS  20          HB2       CYS  20  13.534  -0.513  -1.403
  167   2HB   CYS  20          HB3       CYS  20  12.101   0.291  -0.763
  168    H    ASP  21           HN       ASP  21  14.827   0.199  -3.332
  169    HA   ASP  21           HA       ASP  21  15.809   2.526  -2.096
  170   1HB   ASP  21          HB2       ASP  21  17.073   0.613  -4.048
  171   2HB   ASP  21          HB3       ASP  21  17.948   1.957  -3.323
  172    H    ASN  22           HN       ASN  22  14.393   2.144  -5.168
  173    HA   ASN  22           HA       ASN  22  15.551   4.697  -6.055
  174   1HB   ASN  22          HB2       ASN  22  15.592   2.690  -7.602
  175   2HB   ASN  22          HB3       ASN  22  13.839   2.790  -7.660
  176   1HD2  ASN  22          HD21      ASN  22  15.738   3.014  -9.811
  177   2HD2  ASN  22          HD22      ASN  22  15.497   4.569 -10.531
  178    H    ILE  23           HN       ILE  23  12.432   3.014  -5.876
  179    HA   ILE  23           HA       ILE  23  10.897   5.275  -6.557
  180    HB   ILE  23           HB       ILE  23  10.129   2.698  -5.188
  181   1HG1  ILE  23          HG12      ILE  23   9.785   3.714  -8.022
  182   2HG1  ILE  23          HG13      ILE  23  10.937   2.493  -7.495
  183   1HG2  ILE  23          HG21      ILE  23   8.529   4.459  -4.578
  184   2HG2  ILE  23          HG22      ILE  23   8.282   4.818  -6.287
  185   3HG2  ILE  23          HG23      ILE  23   7.801   3.248  -5.635
  186   1HD1  ILE  23          HD11      ILE  23   9.099   1.011  -6.904
  187   2HD1  ILE  23          HD12      ILE  23   7.941   2.237  -7.417
  188   3HD1  ILE  23          HD13      ILE  23   9.021   1.496  -8.597
  189    H    LEU  24           HN       LEU  24  11.971   4.025  -3.424
  190    HA   LEU  24           HA       LEU  24  10.243   5.816  -1.964
  191   1HB   LEU  24          HB2       LEU  24  12.593   4.247  -0.914
  192   2HB   LEU  24          HB3       LEU  24  11.330   4.998   0.039
  193    HG   LEU  24           HG       LEU  24  11.094   2.582  -1.742
  194   1HD1  LEU  24          HD11      LEU  24  10.433   1.474   0.313
  195   2HD1  LEU  24          HD12      LEU  24  12.029   2.208   0.480
  196   3HD1  LEU  24          HD13      LEU  24  10.619   2.986   1.202
  197   1HD2  LEU  24          HD21      LEU  24   8.915   4.099  -0.332
  198   2HD2  LEU  24          HD22      LEU  24   9.099   3.886  -2.074
  199   3HD2  LEU  24          HD23      LEU  24   8.747   2.494  -1.046
  200    H    SER  25           HN       SER  25  13.221   6.119  -3.524
  201    HA   SER  25           HA       SER  25  14.371   8.045  -1.726
  202   1HB   SER  25          HB2       SER  25  15.097   7.296  -4.568
  203   2HB   SER  25          HB3       SER  25  16.035   8.388  -3.546
  204    HG   SER  25           HG       SER  25  16.047   5.696  -3.605
  205    H    THR  26           HN       THR  26  11.886   8.160  -3.949
  206    HA   THR  26           HA       THR  26  12.243  10.790  -4.982
  207    HB   THR  26           HB       THR  26   9.860  10.655  -5.606
  208    HG1  THR  26           HG1      THR  26   9.698   8.017  -4.653
  209   1HG2  THR  26          HG21      THR  26  11.527   9.642  -7.073
  210   2HG2  THR  26          HG22      THR  26  10.022   8.722  -7.105
  211   3HG2  THR  26          HG23      THR  26  11.403   8.124  -6.182
  212    H    ASN  27           HN       ASN  27  10.646  12.549  -4.505
  213    HA   ASN  27           HA       ASN  27  10.717  13.215  -1.735
  214   1HB   ASN  27          HB2       ASN  27  10.825  14.900  -3.536
  215   2HB   ASN  27          HB3       ASN  27   9.174  14.510  -3.995
  216   1HD2  ASN  27          HD21      ASN  27   7.490  15.325  -2.829
  217   2HD2  ASN  27          HD22      ASN  27   7.688  16.484  -1.557
  218    H    LEU  28           HN       LEU  28   8.592  11.362  -3.587
  219    HA   LEU  28           HA       LEU  28   6.132  11.881  -2.282
  220   1HB   LEU  28          HB2       LEU  28   6.252  10.805  -4.471
  221   2HB   LEU  28          HB3       LEU  28   7.079   9.430  -3.768
  222    HG   LEU  28           HG       LEU  28   5.051   8.925  -2.431
  223   1HD1  LEU  28          HD11      LEU  28   4.118  11.184  -2.349
  224   2HD1  LEU  28          HD12      LEU  28   3.782  11.109  -4.078
  225   3HD1  LEU  28          HD13      LEU  28   2.949  10.019  -2.969
  226   1HD2  LEU  28          HD21      LEU  28   3.748   8.036  -4.272
  227   2HD2  LEU  28          HD22      LEU  28   4.569   9.113  -5.401
  228   3HD2  LEU  28          HD23      LEU  28   5.471   7.836  -4.587
  229    H    PHE  29           HN       PHE  29   8.859   9.848  -1.543
  230    HA   PHE  29           HA       PHE  29   7.448   8.924   0.876
  231   1HB   PHE  29          HB2       PHE  29   9.714   7.543  -0.582
  232   2HB   PHE  29          HB3       PHE  29   8.914   6.955   0.872
  233    HD1  PHE  29           HD1      PHE  29   8.835   7.105  -2.711
  234    HD2  PHE  29           HD2      PHE  29   6.484   6.340   0.749
  235    HE1  PHE  29           HE1      PHE  29   7.183   5.919  -4.099
  236    HE2  PHE  29           HE2      PHE  29   4.828   5.158  -0.626
  237    HZ   PHE  29           HZ       PHE  29   5.176   4.963  -3.077
  238    H    HIS  30           HN       HIS  30  10.417  10.167  -0.496
  239    HA   HIS  30           HA       HIS  30  12.109  11.398   0.352
  240   1HB   HIS  30          HB2       HIS  30  10.060  12.516   1.494
  241   2HB   HIS  30          HB3       HIS  30  10.621  11.699   2.949
  242    HD1  HIS  30           HD1      HIS  30  12.458  12.824   4.239
  243    HD2  HIS  30           HD2      HIS  30  12.009  14.375   0.405
  244    HE1  HIS  30           HE1      HIS  30  13.952  14.845   4.145
  245    HE2  HIS  30           HE2      HIS  30  13.467  15.899   1.909
  246    H    CYS  31           HN       CYS  31  12.032   8.559   0.673
  247    HA   CYS  31           HA       CYS  31  13.062   6.825   1.692
  248   1HB   CYS  31          HB2       CYS  31  14.853   8.957   2.870
  249   2HB   CYS  31          HB3       CYS  31  15.227   7.244   2.725
  250    H    LYS  32           HN       LYS  32  10.969   6.786   2.930
  251    HA   LYS  32           HA       LYS  32  11.040   7.601   5.673
  252   1HB   LYS  32          HB2       LYS  32   8.872   6.595   5.852
  253   2HB   LYS  32          HB3       LYS  32   8.951   7.475   4.336
  254   1HG   LYS  32          HG2       LYS  32   9.511   5.192   3.279
  255   2HG   LYS  32          HG3       LYS  32   8.927   4.515   4.794
  256   1HD   LYS  32          HD2       LYS  32   7.307   6.461   3.177
  257   2HD   LYS  32          HD3       LYS  32   7.251   4.723   2.890
  258   1HE   LYS  32          HE2       LYS  32   5.426   5.288   4.319
  259   2HE   LYS  32          HE3       LYS  32   6.624   4.422   5.276
  260   1HZ   LYS  32          HZ1       LYS  32   5.647   6.383   6.393
  261   2HZ   LYS  32          HZ2       LYS  32   6.377   7.383   5.236
  262   3HZ   LYS  32          HZ3       LYS  32   7.332   6.441   6.271
  263    H    ASP  33           HN       ASP  33  10.261   5.693   7.267
  264    HA   ASP  33           HA       ASP  33  12.529   3.993   7.537
  265   1HB   ASP  33          HB2       ASP  33   9.881   3.989   9.003
  266   2HB   ASP  33          HB3       ASP  33  11.251   2.971   9.429
  267    H    LYS  34           HN       LYS  34   9.106   3.325   6.811
  268    HA   LYS  34           HA       LYS  34   9.848   1.008   5.269
  269   1HB   LYS  34          HB2       LYS  34   9.943  -0.110   7.312
  270   2HB   LYS  34          HB3       LYS  34   8.618   0.808   8.000
  271   1HG   LYS  34          HG2       LYS  34   8.067  -1.049   5.736
  272   2HG   LYS  34          HG3       LYS  34   8.349  -1.712   7.348
  273   1HD   LYS  34          HD2       LYS  34   6.589  -0.095   8.177
  274   2HD   LYS  34          HD3       LYS  34   6.212   0.221   6.483
  275   1HE   LYS  34          HE2       LYS  34   5.797  -2.200   6.169
  276   2HE   LYS  34          HE3       LYS  34   6.065  -2.439   7.894
  277   1HZ   LYS  34          HZ1       LYS  34   3.930  -0.780   6.680
  278   2HZ   LYS  34          HZ2       LYS  34   4.186  -0.969   8.343
  279   3HZ   LYS  34          HZ3       LYS  34   3.719  -2.296   7.398
  280    H    ASN  35           HN       ASN  35   8.309   0.396   3.837
  281    HA   ASN  35           HA       ASN  35   5.647   1.609   4.031
  282   1HB   ASN  35          HB2       ASN  35   7.076   3.070   2.552
  283   2HB   ASN  35          HB3       ASN  35   7.244   1.696   1.467
  284   1HD2  ASN  35          HD21      ASN  35   6.184   2.673  -0.225
  285   2HD2  ASN  35          HD22      ASN  35   4.481   2.971  -0.221
  286    H    THR  36           HN       THR  36   4.034   0.306   3.222
  287    HA   THR  36           HA       THR  36   4.909  -2.287   2.140
  288    HB   THR  36           HB       THR  36   2.261  -1.716   3.475
  289    HG1  THR  36           HG1      THR  36   4.659  -2.788   4.627
  290   1HG2  THR  36          HG21      THR  36   2.207  -4.157   3.770
  291   2HG2  THR  36          HG22      THR  36   3.751  -4.290   2.930
  292   3HG2  THR  36          HG23      THR  36   2.326  -3.718   2.067
  293    H    PHE  37           HN       PHE  37   4.571  -2.508   0.022
  294    HA   PHE  37           HA       PHE  37   2.446  -0.952  -1.268
  295   1HB   PHE  37          HB2       PHE  37   4.666  -2.609  -2.488
  296   2HB   PHE  37          HB3       PHE  37   3.497  -1.658  -3.390
  297    HD1  PHE  37           HD1      PHE  37   6.367  -1.443  -1.039
  298    HD2  PHE  37           HD2      PHE  37   3.803   0.644  -3.735
  299    HE1  PHE  37           HE1      PHE  37   7.815   0.527  -0.893
  300    HE2  PHE  37           HE2      PHE  37   5.272   2.611  -3.599
  301    HZ   PHE  37           HZ       PHE  37   7.406   2.445  -2.296
  302    H    ILE  38           HN       ILE  38   0.982  -1.933  -2.697
  303    HA   ILE  38           HA       ILE  38   0.423  -4.762  -2.105
  304    HB   ILE  38           HB       ILE  38  -1.471  -2.627  -3.106
  305   1HG1  ILE  38          HG12      ILE  38  -1.445  -3.857  -0.352
  306   2HG1  ILE  38          HG13      ILE  38  -0.564  -2.379  -0.722
  307   1HG2  ILE  38          HG21      ILE  38  -2.048  -5.412  -2.091
  308   2HG2  ILE  38          HG22      ILE  38  -3.233  -4.238  -2.670
  309   3HG2  ILE  38          HG23      ILE  38  -2.051  -4.926  -3.786
  310   1HD1  ILE  38          HD11      ILE  38  -2.657  -1.312  -1.385
  311   2HD1  ILE  38          HD12      ILE  38  -3.530  -2.789  -0.972
  312   3HD1  ILE  38          HD13      ILE  38  -2.693  -1.877   0.285
  313    H    TYR  39           HN       TYR  39   1.003  -6.071  -3.719
  314    HA   TYR  39           HA       TYR  39   1.271  -5.103  -6.424
  315   1HB   TYR  39          HB2       TYR  39   2.887  -6.739  -5.654
  316   2HB   TYR  39          HB3       TYR  39   1.605  -7.863  -5.230
  317    HD1  TYR  39           HD1      TYR  39   2.622  -5.915  -8.264
  318    HD2  TYR  39           HD2      TYR  39   1.378  -9.647  -6.647
  319    HE1  TYR  39           HE1      TYR  39   2.757  -6.926 -10.501
  320    HE2  TYR  39           HE2      TYR  39   1.512 -10.665  -8.878
  321    HH   TYR  39           HH       TYR  39   2.908  -8.984 -11.592
  322    H    SER  40           HN       SER  40  -0.765  -4.465  -6.949
  323    HA   SER  40           HA       SER  40  -2.494  -6.401  -8.069
  324   1HB   SER  40          HB2       SER  40  -3.060  -6.585  -5.583
  325   2HB   SER  40          HB3       SER  40  -3.631  -4.923  -5.675
  326    HG   SER  40           HG       SER  40  -4.795  -7.253  -6.582
  327    H    ARG  41           HN       ARG  41  -4.721  -5.042  -8.528
  328    HA   ARG  41           HA       ARG  41  -3.748  -2.536  -9.671
  329   1HB   ARG  41          HB2       ARG  41  -6.102  -4.280 -10.323
  330   2HB   ARG  41          HB3       ARG  41  -6.001  -2.630 -10.902
  331   1HG   ARG  41          HG2       ARG  41  -3.963  -4.774 -11.434
  332   2HG   ARG  41          HG3       ARG  41  -5.214  -4.248 -12.564
  333   1HD   ARG  41          HD2       ARG  41  -4.290  -1.988 -12.521
  334   2HD   ARG  41          HD3       ARG  41  -3.041  -2.511 -11.399
  335    HE   ARG  41           HE       ARG  41  -2.752  -4.174 -13.540
  336   1HH1  ARG  41          HH12      ARG  41  -2.837  -0.688 -13.128
  337   2HH1  ARG  41          HH11      ARG  41  -1.700  -0.393 -14.406
  338   1HH2  ARG  41          HH22      ARG  41  -1.234  -3.773 -15.218
  339   2HH2  ARG  41          HH21      ARG  41  -0.788  -2.132 -15.590
  340    HA   PRO  42           HA       PRO  42  -5.915   0.113  -6.951
  341   1HB   PRO  42          HB2       PRO  42  -6.998   1.882  -8.787
  342   2HB   PRO  42          HB3       PRO  42  -5.350   1.955  -8.164
  343   1HG   PRO  42          HG2       PRO  42  -6.361   0.869 -10.741
  344   2HG   PRO  42          HG3       PRO  42  -4.857   1.736 -10.401
  345   1HD   PRO  42          HD2       PRO  42  -4.948  -0.944 -10.762
  346   2HD   PRO  42          HD3       PRO  42  -3.786  -0.163  -9.666
  347    H    GLU  43           HN       GLU  43  -7.695  -1.168  -9.736
  348    HA   GLU  43           HA       GLU  43 -10.228  -0.259  -8.883
  349   1HB   GLU  43          HB2       GLU  43  -9.344  -2.360 -10.828
  350   2HB   GLU  43          HB3       GLU  43 -11.040  -2.084 -10.486
  351   1HG   GLU  43          HG2       GLU  43  -9.078  -0.097 -11.600
  352   2HG   GLU  43          HG3       GLU  43 -10.402  -0.879 -12.461
  353    HA   PRO  44           HA       PRO  44 -10.933  -4.758  -7.166
  354   1HB   PRO  44          HB2       PRO  44  -8.627  -6.137  -6.585
  355   2HB   PRO  44          HB3       PRO  44  -9.589  -6.363  -8.046
  356   1HG   PRO  44          HG2       PRO  44  -7.094  -4.776  -7.638
  357   2HG   PRO  44          HG3       PRO  44  -7.568  -5.787  -9.014
  358   1HD   PRO  44          HD2       PRO  44  -7.749  -3.102  -9.092
  359   2HD   PRO  44          HD3       PRO  44  -8.914  -4.143  -9.912
  360    H    VAL  45           HN       VAL  45  -8.312  -2.667  -6.204
  361    HA   VAL  45           HA       VAL  45  -8.571  -3.405  -3.397
  362    HB   VAL  45           HB       VAL  45  -6.864  -1.279  -4.715
  363   1HG1  VAL  45          HG11      VAL  45  -7.390  -0.640  -2.427
  364   2HG1  VAL  45          HG12      VAL  45  -6.884  -2.228  -1.852
  365   3HG1  VAL  45          HG13      VAL  45  -5.700  -1.130  -2.559
  366   1HG2  VAL  45          HG21      VAL  45  -6.188  -3.538  -5.292
  367   2HG2  VAL  45          HG22      VAL  45  -5.008  -2.800  -4.209
  368   3HG2  VAL  45          HG23      VAL  45  -6.159  -3.983  -3.586
  369    H    LYS  46           HN       LYS  46  -9.470  -0.803  -5.574
  370    HA   LYS  46           HA       LYS  46 -10.600   0.917  -3.603
  371   1HB   LYS  46          HB2       LYS  46  -9.926   1.491  -5.992
  372   2HB   LYS  46          HB3       LYS  46 -11.409   0.706  -6.502
  373   1HG   LYS  46          HG2       LYS  46 -12.687   2.331  -5.128
  374   2HG   LYS  46          HG3       LYS  46 -11.164   3.144  -4.756
  375   1HD   LYS  46          HD2       LYS  46 -10.781   3.468  -7.164
  376   2HD   LYS  46          HD3       LYS  46 -12.351   2.738  -7.496
  377   1HE   LYS  46          HE2       LYS  46 -13.402   4.523  -6.139
  378   2HE   LYS  46          HE3       LYS  46 -11.820   5.278  -5.966
  379   1HZ   LYS  46          HZ1       LYS  46 -11.712   5.503  -8.376
  380   2HZ   LYS  46          HZ2       LYS  46 -13.078   6.292  -7.757
  381   3HZ   LYS  46          HZ3       LYS  46 -13.243   4.794  -8.531
  382    H    ALA  47           HN       ALA  47 -11.723  -1.797  -5.493
  383    HA   ALA  47           HA       ALA  47 -14.484  -1.564  -5.031
  384   1HB   ALA  47          HB1       ALA  47 -14.624  -3.888  -5.746
  385   2HB   ALA  47          HB2       ALA  47 -13.527  -2.977  -6.784
  386   3HB   ALA  47          HB3       ALA  47 -12.879  -4.063  -5.554
  387    H    ILE  48           HN       ILE  48 -11.971  -2.438  -2.905
  388    HA   ILE  48           HA       ILE  48 -13.451  -4.106  -1.136
  389    HB   ILE  48           HB       ILE  48 -11.087  -2.338  -0.447
  390   1HG1  ILE  48          HG12      ILE  48 -11.091  -5.223  -1.374
  391   2HG1  ILE  48          HG13      ILE  48 -10.685  -3.855  -2.405
  392   1HG2  ILE  48          HG21      ILE  48 -12.171  -4.847   0.843
  393   2HG2  ILE  48          HG22      ILE  48 -10.691  -4.012   1.312
  394   3HG2  ILE  48          HG23      ILE  48 -12.252  -3.214   1.502
  395   1HD1  ILE  48          HD11      ILE  48  -9.214  -4.685   0.081
  396   2HD1  ILE  48          HD12      ILE  48  -8.701  -4.978  -1.581
  397   3HD1  ILE  48          HD13      ILE  48  -8.797  -3.328  -0.966
  398    H    CYS  49           HN       CYS  49 -13.187  -0.714  -1.683
  399    HA   CYS  49           HA       CYS  49 -14.618  -0.089   0.793
  400   1HB   CYS  49          HB2       CYS  49 -13.113   1.683  -1.137
  401   2HB   CYS  49          HB3       CYS  49 -13.935   2.250   0.313
  402    H    LYS  50           HN       LYS  50 -15.421  -0.922  -2.208
  403    HA   LYS  50           HA       LYS  50 -17.132   1.097  -3.131
  404   1HB   LYS  50          HB2       LYS  50 -16.386  -0.897  -4.455
  405   2HB   LYS  50          HB3       LYS  50 -17.493  -1.881  -3.507
  406   1HG   LYS  50          HG2       LYS  50 -19.366  -0.486  -4.317
  407   2HG   LYS  50          HG3       LYS  50 -18.225   0.391  -5.340
  408   1HD   LYS  50          HD2       LYS  50 -19.302  -1.275  -6.681
  409   2HD   LYS  50          HD3       LYS  50 -17.634  -1.786  -6.413
  410   1HE   LYS  50          HE2       LYS  50 -18.400  -3.260  -4.598
  411   2HE   LYS  50          HE3       LYS  50 -20.063  -2.770  -4.920
  412   1HZ   LYS  50          HZ1       LYS  50 -19.588  -4.868  -5.970
  413   2HZ   LYS  50          HZ2       LYS  50 -18.260  -4.212  -6.793
  414   3HZ   LYS  50          HZ3       LYS  50 -19.833  -3.690  -7.167
  415    H    GLY  51           HN       GLY  51 -18.842   1.917  -2.179
  416   1HA   GLY  51          HA1       GLY  51 -21.043   1.789  -1.364
  417   2HA   GLY  51          HA2       GLY  51 -20.737   0.137  -0.850
  418    H    ILE  52           HN       ILE  52 -18.151   2.051   0.068
  419    HA   ILE  52           HA       ILE  52 -19.293   2.323   2.779
  420    HB   ILE  52           HB       ILE  52 -16.352   2.237   2.138
  421   1HG1  ILE  52          HG12      ILE  52 -17.372   0.157   1.303
  422   2HG1  ILE  52          HG13      ILE  52 -16.359  -0.143   2.706
  423   1HG2  ILE  52          HG21      ILE  52 -17.909   1.693   4.662
  424   2HG2  ILE  52          HG22      ILE  52 -16.155   1.600   4.494
  425   3HG2  ILE  52          HG23      ILE  52 -16.980   3.148   4.307
  426   1HD1  ILE  52          HD11      ILE  52 -18.386  -1.454   2.804
  427   2HD1  ILE  52          HD12      ILE  52 -18.362  -0.268   4.109
  428   3HD1  ILE  52          HD13      ILE  52 -19.363   0.009   2.682
  429    H    ILE  53           HN       ILE  53 -20.097   4.425   2.635
  430    HA   ILE  53           HA       ILE  53 -18.477   6.528   1.521
  431    HB   ILE  53           HB       ILE  53 -21.219   6.488   2.761
  432   1HG1  ILE  53          HG12      ILE  53 -21.903   7.223   0.517
  433   2HG1  ILE  53          HG13      ILE  53 -20.233   7.195  -0.014
  434   1HG2  ILE  53          HG21      ILE  53 -19.703   8.908   1.790
  435   2HG2  ILE  53          HG22      ILE  53 -21.412   8.877   2.225
  436   3HG2  ILE  53          HG23      ILE  53 -20.184   8.571   3.454
  437   1HD1  ILE  53          HD11      ILE  53 -21.854   4.814   0.855
  438   2HD1  ILE  53          HD12      ILE  53 -21.462   5.259  -0.808
  439   3HD1  ILE  53          HD13      ILE  53 -20.177   4.784   0.304
  440    H    ALA  54           HN       ALA  54 -19.702   5.695   4.764
  441    HA   ALA  54           HA       ALA  54 -18.322   7.915   5.981
  442   1HB   ALA  54          HB1       ALA  54 -20.414   7.115   6.934
  443   2HB   ALA  54          HB2       ALA  54 -19.691   5.537   7.239
  444   3HB   ALA  54          HB3       ALA  54 -19.104   6.958   8.102
  445    H    SER  55           HN       SER  55 -16.441   7.869   7.160
  446    HA   SER  55           HA       SER  55 -14.372   6.221   6.427
  447   1HB   SER  55          HB2       SER  55 -13.270   7.041   8.576
  448   2HB   SER  55          HB3       SER  55 -13.858   8.286   7.474
  449    HG   SER  55           HG       SER  55 -15.659   7.387   9.397
  450    H    LYS  56           HN       LYS  56 -14.489   4.073   6.530
  451    HA   LYS  56           HA       LYS  56 -14.940   2.826   9.156
  452   1HB   LYS  56          HB2       LYS  56 -17.006   2.663   7.846
  453   2HB   LYS  56          HB3       LYS  56 -16.118   1.951   6.509
  454   1HG   LYS  56          HG2       LYS  56 -15.579   0.017   7.957
  455   2HG   LYS  56          HG3       LYS  56 -16.587   0.727   9.221
  456   1HD   LYS  56          HD2       LYS  56 -18.521   0.651   7.737
  457   2HD   LYS  56          HD3       LYS  56 -17.524  -0.023   6.451
  458   1HE   LYS  56          HE2       LYS  56 -18.754  -1.805   7.474
  459   2HE   LYS  56          HE3       LYS  56 -17.056  -1.976   7.912
  460   1HZ   LYS  56          HZ1       LYS  56 -19.136  -0.749   9.642
  461   2HZ   LYS  56          HZ2       LYS  56 -17.520  -1.052  10.066
  462   3HZ   LYS  56          HZ3       LYS  56 -18.579  -2.345   9.784
  463    H    ASN  57           HN       ASN  57 -13.282   1.557   9.686
  464    HA   ASN  57           HA       ASN  57 -11.260   0.844   7.775
  465   1HB   ASN  57          HB2       ASN  57 -11.637   0.053  10.674
  466   2HB   ASN  57          HB3       ASN  57 -10.236  -0.386   9.704
  467   1HD2  ASN  57          HD21      ASN  57 -10.385   1.171  12.140
  468   2HD2  ASN  57          HD22      ASN  57  -9.684   2.717  11.775
  469    H    VAL  58           HN       VAL  58 -11.376  -0.848   6.448
  470    HA   VAL  58           HA       VAL  58 -13.006  -3.136   7.324
  471    HB   VAL  58           HB       VAL  58 -13.735  -3.536   5.093
  472   1HG1  VAL  58          HG11      VAL  58 -14.997  -1.481   4.591
  473   2HG1  VAL  58          HG12      VAL  58 -15.054  -1.927   6.297
  474   3HG1  VAL  58          HG13      VAL  58 -14.001  -0.617   5.764
  475   1HG2  VAL  58          HG21      VAL  58 -11.992  -1.244   4.224
  476   2HG2  VAL  58          HG22      VAL  58 -11.711  -2.953   3.890
  477   3HG2  VAL  58          HG23      VAL  58 -13.111  -2.136   3.194
  478    H    LEU  59           HN       LEU  59 -12.188  -5.134   7.078
  479    HA   LEU  59           HA       LEU  59  -9.383  -5.326   6.262
  480   1HB   LEU  59          HB2       LEU  59 -10.154  -5.958   8.586
  481   2HB   LEU  59          HB3       LEU  59 -11.047  -7.263   7.858
  482    HG   LEU  59           HG       LEU  59  -8.777  -7.760   8.943
  483   1HD1  LEU  59          HD11      LEU  59  -9.339  -8.731   6.163
  484   2HD1  LEU  59          HD12      LEU  59  -8.283  -9.508   7.343
  485   3HD1  LEU  59          HD13      LEU  59 -10.013  -9.385   7.656
  486   1HD2  LEU  59          HD21      LEU  59  -6.859  -7.547   7.452
  487   2HD2  LEU  59          HD22      LEU  59  -7.854  -6.626   6.321
  488   3HD2  LEU  59          HD23      LEU  59  -7.518  -5.979   7.929
  489    H    THR  60           HN       THR  60  -8.768  -6.745   4.657
  490    HA   THR  60           HA       THR  60 -10.757  -7.276   2.695
  491    HB   THR  60           HB       THR  60  -8.897  -8.327   1.406
  492    HG1  THR  60           HG1      THR  60  -7.226  -8.962   2.515
  493   1HG2  THR  60          HG21      THR  60  -7.660  -6.262   1.066
  494   2HG2  THR  60          HG22      THR  60  -8.249  -5.633   2.603
  495   3HG2  THR  60          HG23      THR  60  -9.376  -5.914   1.277
  496    H    THR  61           HN       THR  61 -11.340  -9.245   1.758
  497    HA   THR  61           HA       THR  61 -11.876 -11.292   3.691
  498    HB   THR  61           HB       THR  61 -12.942 -12.424   1.681
  499    HG1  THR  61           HG1      THR  61 -12.105 -11.617  -0.127
  500   1HG2  THR  61          HG21      THR  61 -14.793 -10.794   1.551
  501   2HG2  THR  61          HG22      THR  61 -13.767  -9.596   2.346
  502   3HG2  THR  61          HG23      THR  61 -14.253 -11.056   3.211
  503    H    SER  62           HN       SER  62  -9.460 -10.735   1.353
  504    HA   SER  62           HA       SER  62  -8.433 -13.460   1.643
  505   1HB   SER  62          HB2       SER  62  -7.768 -13.192  -0.857
  506   2HB   SER  62          HB3       SER  62  -9.437 -13.618  -0.474
  507    HG   SER  62           HG       SER  62  -8.911 -11.760  -2.019
  508    H    GLU  63           HN       GLU  63  -6.127 -13.630   0.986
  509    HA   GLU  63           HA       GLU  63  -4.669 -11.299   1.921
  510   1HB   GLU  63          HB2       GLU  63  -3.570 -13.968   1.031
  511   2HB   GLU  63          HB3       GLU  63  -2.706 -12.715   1.898
  512   1HG   GLU  63          HG2       GLU  63  -4.124 -13.027   3.836
  513   2HG   GLU  63          HG3       GLU  63  -5.053 -14.246   2.976
  514    H    PHE  64           HN       PHE  64  -3.537  -9.952   0.695
  515    HA   PHE  64           HA       PHE  64  -3.472 -10.470  -2.192
  516   1HB   PHE  64          HB2       PHE  64  -3.331  -7.920  -0.595
  517   2HB   PHE  64          HB3       PHE  64  -2.901  -7.982  -2.297
  518    HD1  PHE  64           HD1      PHE  64  -4.547  -7.635  -3.900
  519    HD2  PHE  64           HD2      PHE  64  -5.680  -8.840   0.023
  520    HE1  PHE  64           HE1      PHE  64  -6.915  -7.353  -4.502
  521    HE2  PHE  64           HE2      PHE  64  -8.049  -8.556  -0.571
  522    HZ   PHE  64           HZ       PHE  64  -8.659  -7.779  -2.863
  523    H    TYR  65           HN       TYR  65  -1.502  -9.548  -3.293
  524    HA   TYR  65           HA       TYR  65   0.789 -10.717  -1.963
  525   1HB   TYR  65          HB2       TYR  65   0.487  -9.601  -4.763
  526   2HB   TYR  65          HB3       TYR  65   1.907 -10.451  -4.150
  527    HD1  TYR  65           HD1      TYR  65  -1.417 -10.788  -5.501
  528    HD2  TYR  65           HD2      TYR  65   1.716 -12.859  -3.503
  529    HE1  TYR  65           HE1      TYR  65  -2.410 -12.927  -6.185
  530    HE2  TYR  65           HE2      TYR  65   0.721 -15.014  -4.173
  531    HH   TYR  65           HH       TYR  65  -1.501 -15.901  -4.848
  532    H    LEU  66           HN       LEU  66   1.687  -9.436  -0.511
  533    HA   LEU  66           HA       LEU  66   1.842  -6.572  -1.075
  534   1HB   LEU  66          HB2       LEU  66   2.366  -8.023   1.515
  535   2HB   LEU  66          HB3       LEU  66   2.228  -6.289   1.294
  536    HG   LEU  66           HG       LEU  66   0.012  -8.298   0.937
  537   1HD1  LEU  66          HD11      LEU  66   0.490  -6.204   3.045
  538   2HD1  LEU  66          HD12      LEU  66  -0.967  -7.186   2.894
  539   3HD1  LEU  66          HD13      LEU  66   0.578  -7.950   3.265
  540   1HD2  LEU  66          HD21      LEU  66  -1.439  -6.335   0.663
  541   2HD2  LEU  66          HD22      LEU  66  -0.016  -5.295   0.681
  542   3HD2  LEU  66          HD23      LEU  66  -0.242  -6.460  -0.625
  543    H    SER  67           HN       SER  67   3.733  -5.469  -1.060
  544    HA   SER  67           HA       SER  67   6.219  -7.036  -0.801
  545   1HB   SER  67          HB2       SER  67   5.712  -4.806  -2.800
  546   2HB   SER  67          HB3       SER  67   7.181  -5.767  -2.646
  547    HG   SER  67           HG       SER  67   6.169  -6.850  -4.184
  548    H    ASP  68           HN       ASP  68   7.255  -6.299   0.896
  549    HA   ASP  68           HA       ASP  68   6.525  -3.645   1.908
  550   1HB   ASP  68          HB2       ASP  68   6.026  -5.670   3.286
  551   2HB   ASP  68          HB3       ASP  68   7.756  -5.977   3.382
  552    H    CYS  69           HN       CYS  69   7.958  -2.091   1.938
  553    HA   CYS  69           HA       CYS  69  10.792  -2.755   1.529
  554   1HB   CYS  69          HB2       CYS  69   9.262  -0.186   1.058
  555   2HB   CYS  69          HB3       CYS  69  10.994  -0.373   0.815
  556    H    ASN  70           HN       ASN  70  12.031  -2.633   3.283
  557    HA   ASN  70           HA       ASN  70  11.393  -0.606   5.309
  558   1HB   ASN  70          HB2       ASN  70  12.060  -2.283   7.073
  559   2HB   ASN  70          HB3       ASN  70  10.534  -2.617   6.266
  560   1HD2  ASN  70          HD21      ASN  70  10.342  -4.390   4.946
  561   2HD2  ASN  70          HD22      ASN  70  11.541  -5.639   4.879
  562    H    VAL  71           HN       VAL  71  13.070   0.406   6.222
  563    HA   VAL  71           HA       VAL  71  15.515   0.421   4.809
  564    HB   VAL  71           HB       VAL  71  14.522   2.397   5.933
  565   1HG1  VAL  71          HG11      VAL  71  15.447   1.072   8.473
  566   2HG1  VAL  71          HG12      VAL  71  14.852   2.726   8.335
  567   3HG1  VAL  71          HG13      VAL  71  13.777   1.370   7.994
  568   1HG2  VAL  71          HG21      VAL  71  17.326   1.733   6.827
  569   2HG2  VAL  71          HG22      VAL  71  16.866   2.415   5.267
  570   3HG2  VAL  71          HG23      VAL  71  16.621   3.349   6.743
  571    H    THR  72           HN       THR  72  17.497  -0.425   5.275
  572    HA   THR  72           HA       THR  72  17.481  -2.597   7.209
  573    HB   THR  72           HB       THR  72  19.679  -3.209   6.142
  574    HG1  THR  72           HG1      THR  72  19.547  -1.973   3.860
  575   1HG2  THR  72          HG21      THR  72  17.309  -2.931   4.291
  576   2HG2  THR  72          HG22      THR  72  17.568  -4.236   5.448
  577   3HG2  THR  72          HG23      THR  72  18.663  -4.043   4.079
  578    H    SER  73           HN       SER  73  20.563  -1.361   6.493
  579    HA   SER  73           HA       SER  73  20.822  -0.425   9.263
  580   1HB   SER  73          HB2       SER  73  23.282  -0.819   8.854
  581   2HB   SER  73          HB3       SER  73  22.278  -2.269   8.805
  582    HG   SER  73           HG       SER  73  23.920  -1.798   7.039
  583    H    ARG  74           HN       ARG  74  21.406   0.417   5.924
  584    HA   ARG  74           HA       ARG  74  22.529   2.994   6.715
  585   1HB   ARG  74          HB2       ARG  74  22.435   1.516   4.092
  586   2HB   ARG  74          HB3       ARG  74  22.926   3.202   4.202
  587   1HG   ARG  74          HG2       ARG  74  24.768   2.648   5.609
  588   2HG   ARG  74          HG3       ARG  74  24.224   0.975   5.750
  589   1HD   ARG  74          HD2       ARG  74  26.050   1.083   4.183
  590   2HD   ARG  74          HD3       ARG  74  24.564   0.695   3.319
  591    HE   ARG  74           HE       ARG  74  25.626   3.446   3.394
  592   1HH1  ARG  74          HH12      ARG  74  24.506   0.641   1.625
  593   2HH1  ARG  74          HH11      ARG  74  24.565   1.421   0.073
  594   1HH2  ARG  74          HH22      ARG  74  25.737   4.480   1.353
  595   2HH2  ARG  74          HH21      ARG  74  25.241   3.621  -0.080
  596    HA   PRO  75           HA       PRO  75  18.834   5.150   6.164
  597   1HB   PRO  75          HB2       PRO  75  19.744   7.572   5.286
  598   2HB   PRO  75          HB3       PRO  75  19.876   7.021   6.959
  599   1HG   PRO  75          HG2       PRO  75  21.939   7.097   4.817
  600   2HG   PRO  75          HG3       PRO  75  22.114   7.369   6.558
  601   1HD   PRO  75          HD2       PRO  75  22.814   5.045   5.272
  602   2HD   PRO  75          HD3       PRO  75  22.395   5.136   6.989
  603    H    CYS  76           HN       CYS  76  17.295   5.166   4.687
  604    HA   CYS  76           HA       CYS  76  16.179   5.149   2.724
  605   1HB   CYS  76          HB2       CYS  76  17.384   7.343   2.413
  606   2HB   CYS  76          HB3       CYS  76  18.595   6.474   1.482
  607    H    LYS  77           HN       LYS  77  18.475   3.167   3.461
  608    HA   LYS  77           HA       LYS  77  18.516   1.794   0.859
  609   1HB   LYS  77          HB2       LYS  77  20.262   1.530   3.307
  610   2HB   LYS  77          HB3       LYS  77  20.261   0.331   2.020
  611   1HG   LYS  77          HG2       LYS  77  20.776   3.233   1.457
  612   2HG   LYS  77          HG3       LYS  77  22.063   2.140   1.974
  613   1HD   LYS  77          HD2       LYS  77  22.263   1.340  -0.089
  614   2HD   LYS  77          HD3       LYS  77  20.557   0.898  -0.113
  615   1HE   LYS  77          HE2       LYS  77  21.569   3.673  -0.709
  616   2HE   LYS  77          HE3       LYS  77  21.299   2.450  -1.948
  617   1HZ   LYS  77          HZ1       LYS  77  19.388   3.882  -1.775
  618   2HZ   LYS  77          HZ2       LYS  77  19.251   3.576  -0.118
  619   3HZ   LYS  77          HZ3       LYS  77  18.969   2.329  -1.227
  620    H    TYR  78           HN       TYR  78  17.236   0.047   0.610
  621    HA   TYR  78           HA       TYR  78  15.812  -0.829   3.041
  622   1HB   TYR  78          HB2       TYR  78  14.718  -0.528   0.241
  623   2HB   TYR  78          HB3       TYR  78  13.817  -1.107   1.638
  624    HD1  TYR  78           HD1      TYR  78  13.114   0.422   3.389
  625    HD2  TYR  78           HD2      TYR  78  15.272   1.800  -0.006
  626    HE1  TYR  78           HE1      TYR  78  12.490   2.735   3.937
  627    HE2  TYR  78           HE2      TYR  78  14.648   4.112   0.529
  628    HH   TYR  78           HH       TYR  78  13.109   5.357   1.753
  629    H    LYS  79           HN       LYS  79  14.737  -2.899   2.883
  630    HA   LYS  79           HA       LYS  79  15.953  -4.769   0.965
  631   1HB   LYS  79          HB2       LYS  79  16.770  -5.237   3.232
  632   2HB   LYS  79          HB3       LYS  79  15.115  -5.314   3.820
  633   1HG   LYS  79          HG2       LYS  79  14.681  -7.272   2.518
  634   2HG   LYS  79          HG3       LYS  79  16.275  -7.175   1.770
  635   1HD   LYS  79          HD2       LYS  79  16.205  -8.859   3.551
  636   2HD   LYS  79          HD3       LYS  79  17.325  -7.551   3.934
  637   1HE   LYS  79          HE2       LYS  79  15.712  -6.541   5.410
  638   2HE   LYS  79          HE3       LYS  79  14.494  -7.731   4.950
  639   1HZ   LYS  79          HZ1       LYS  79  17.064  -8.411   6.271
  640   2HZ   LYS  79          HZ2       LYS  79  15.754  -9.451   5.978
  641   3HZ   LYS  79          HZ3       LYS  79  15.603  -8.190   7.103
  642    H    LEU  80           HN       LEU  80  14.513  -5.762  -0.314
  643    HA   LEU  80           HA       LEU  80  11.724  -5.107  -0.025
  644   1HB   LEU  80          HB2       LEU  80  13.012  -5.221  -2.206
  645   2HB   LEU  80          HB3       LEU  80  12.971  -6.961  -2.044
  646    HG   LEU  80           HG       LEU  80  11.245  -5.801  -3.558
  647   1HD1  LEU  80          HD11      LEU  80  10.290  -7.792  -1.532
  648   2HD1  LEU  80          HD12      LEU  80   9.564  -7.466  -3.108
  649   3HD1  LEU  80          HD13      LEU  80  11.180  -8.168  -3.008
  650   1HD2  LEU  80          HD21      LEU  80   9.178  -5.138  -2.479
  651   2HD2  LEU  80          HD22      LEU  80   9.940  -5.351  -0.900
  652   3HD2  LEU  80          HD23      LEU  80  10.523  -4.101  -1.999
  653    H    LYS  81           HN       LYS  81  10.068  -6.467   0.440
  654    HA   LYS  81           HA       LYS  81  10.759  -9.144   1.436
  655   1HB   LYS  81          HB2       LYS  81  10.734  -7.483   3.314
  656   2HB   LYS  81          HB3       LYS  81   9.047  -7.158   2.947
  657   1HG   LYS  81          HG2       LYS  81   8.490  -9.486   3.454
  658   2HG   LYS  81          HG3       LYS  81  10.185  -9.802   3.831
  659   1HD   LYS  81          HD2       LYS  81   8.958  -9.433   5.880
  660   2HD   LYS  81          HD3       LYS  81  10.072  -8.090   5.612
  661   1HE   LYS  81          HE2       LYS  81   8.204  -6.785   4.655
  662   2HE   LYS  81          HE3       LYS  81   7.112  -8.114   5.039
  663   1HZ   LYS  81          HZ1       LYS  81   7.617  -7.818   7.379
  664   2HZ   LYS  81          HZ2       LYS  81   7.042  -6.370   6.711
  665   3HZ   LYS  81          HZ3       LYS  81   8.695  -6.558   7.018
  666    H    LYS  82           HN       LYS  82   9.427 -10.630   0.653
  667    HA   LYS  82           HA       LYS  82   7.014  -9.693  -0.740
  668   1HB   LYS  82          HB2       LYS  82   8.521 -12.281  -1.121
  669   2HB   LYS  82          HB3       LYS  82   7.288 -11.600  -2.177
  670   1HG   LYS  82          HG2       LYS  82   8.701  -9.938  -2.970
  671   2HG   LYS  82          HG3       LYS  82   9.815 -10.109  -1.611
  672   1HD   LYS  82          HD2       LYS  82  10.352 -12.404  -2.449
  673   2HD   LYS  82          HD3       LYS  82   9.407 -12.028  -3.890
  674   1HE   LYS  82          HE2       LYS  82  10.882 -10.214  -4.449
  675   2HE   LYS  82          HE3       LYS  82  11.760 -10.407  -2.933
  676   1HZ   LYS  82          HZ1       LYS  82  12.461 -12.613  -3.683
  677   2HZ   LYS  82          HZ2       LYS  82  12.975 -11.397  -4.749
  678   3HZ   LYS  82          HZ3       LYS  82  11.654 -12.378  -5.155
  679    H    SER  83           HN       SER  83   5.128 -10.161   0.152
  680    HA   SER  83           HA       SER  83   4.802 -12.686   1.582
  681   1HB   SER  83          HB2       SER  83   3.544 -11.398   3.398
  682   2HB   SER  83          HB3       SER  83   5.300 -11.241   3.405
  683    HG   SER  83           HG       SER  83   4.676  -9.309   1.929
  684    H    THR  84           HN       THR  84   2.510 -13.161   2.016
  685    HA   THR  84           HA       THR  84   0.629 -11.633   0.347
  686    HB   THR  84           HB       THR  84   0.486 -14.627   0.752
  687    HG1  THR  84           HG1      THR  84   1.787 -14.858  -0.913
  688   1HG2  THR  84          HG21      THR  84  -1.636 -13.559   0.210
  689   2HG2  THR  84          HG22      THR  84  -1.063 -14.508  -1.165
  690   3HG2  THR  84          HG23      THR  84  -0.895 -12.752  -1.173
  691    H    ASN  85           HN       ASN  85  -0.796 -10.695   1.651
  692    HA   ASN  85           HA       ASN  85  -1.914 -12.087   3.931
  693   1HB   ASN  85          HB2       ASN  85   0.349 -10.832   4.560
  694   2HB   ASN  85          HB3       ASN  85  -0.718  -9.446   4.551
  695   1HD2  ASN  85          HD21      ASN  85   0.692 -10.469   6.776
  696   2HD2  ASN  85          HD22      ASN  85  -0.482 -10.941   7.957
  697    H    LYS  86           HN       LYS  86  -3.735 -10.986   4.807
  698    HA   LYS  86           HA       LYS  86  -5.141  -9.310   2.977
  699   1HB   LYS  86          HB2       LYS  86  -5.792  -9.800   5.884
  700   2HB   LYS  86          HB3       LYS  86  -6.904  -9.388   4.583
  701   1HG   LYS  86          HG2       LYS  86  -6.395 -11.564   3.520
  702   2HG   LYS  86          HG3       LYS  86  -5.409 -11.978   4.921
  703   1HD   LYS  86          HD2       LYS  86  -7.384 -11.720   6.351
  704   2HD   LYS  86          HD3       LYS  86  -8.344 -11.355   4.924
  705   1HE   LYS  86          HE2       LYS  86  -7.875 -13.542   3.999
  706   2HE   LYS  86          HE3       LYS  86  -6.819 -13.913   5.360
  707   1HZ   LYS  86          HZ1       LYS  86  -9.717 -13.328   5.628
  708   2HZ   LYS  86          HZ2       LYS  86  -8.670 -13.906   6.836
  709   3HZ   LYS  86          HZ3       LYS  86  -9.070 -14.894   5.516
  710    H    PHE  87           HN       PHE  87  -6.120  -7.171   3.913
  711    HA   PHE  87           HA       PHE  87  -4.437  -5.860   5.853
  712   1HB   PHE  87          HB2       PHE  87  -3.861  -3.950   4.358
  713   2HB   PHE  87          HB3       PHE  87  -3.062  -5.462   3.940
  714    HD1  PHE  87           HD1      PHE  87  -3.464  -6.525   1.832
  715    HD2  PHE  87           HD2      PHE  87  -5.678  -3.069   2.955
  716    HE1  PHE  87           HE1      PHE  87  -4.294  -6.312  -0.475
  717    HE2  PHE  87           HE2      PHE  87  -6.510  -2.854   0.652
  718    HZ   PHE  87           HZ       PHE  87  -5.758  -4.459  -1.089
  719    H    CYS  88           HN       CYS  88  -5.260  -3.926   6.641
  720    HA   CYS  88           HA       CYS  88  -8.141  -3.636   6.167
  721   1HB   CYS  88          HB2       CYS  88  -7.360  -4.113   8.479
  722   2HB   CYS  88          HB3       CYS  88  -6.437  -2.614   8.454
  723    H    VAL  89           HN       VAL  89  -8.832  -1.900   5.088
  724    HA   VAL  89           HA       VAL  89  -7.055   0.446   4.951
  725    HB   VAL  89           HB       VAL  89  -8.220   0.976   2.766
  726   1HG1  VAL  89          HG11      VAL  89  -6.818  -0.528   1.453
  727   2HG1  VAL  89          HG12      VAL  89  -5.945   0.075   2.862
  728   3HG1  VAL  89          HG13      VAL  89  -6.594  -1.565   2.862
  729   1HG2  VAL  89          HG21      VAL  89 -10.164  -0.486   3.044
  730   2HG2  VAL  89          HG22      VAL  89  -9.289  -0.875   1.562
  731   3HG2  VAL  89          HG23      VAL  89  -9.114  -1.902   2.986
  732    H    THR  90           HN       THR  90  -7.914   2.425   5.389
  733    HA   THR  90           HA       THR  90 -10.519   2.501   6.613
  734    HB   THR  90           HB       THR  90  -8.702   4.832   5.950
  735    HG1  THR  90           HG1      THR  90  -8.876   3.259   8.332
  736   1HG2  THR  90          HG21      THR  90 -10.937   4.545   7.962
  737   2HG2  THR  90          HG22      THR  90 -11.007   5.471   6.464
  738   3HG2  THR  90          HG23      THR  90  -9.915   5.969   7.756
  739    H    CYS  91           HN       CYS  91 -12.209   2.374   5.263
  740    HA   CYS  91           HA       CYS  91 -12.059   3.589   2.625
  741   1HB   CYS  91          HB2       CYS  91 -14.243   1.956   3.931
  742   2HB   CYS  91          HB3       CYS  91 -14.201   2.451   2.241
  743    H    GLU  92           HN       GLU  92 -12.855   5.505   2.138
  744    HA   GLU  92           HA       GLU  92 -15.202   6.506   3.547
  745   1HB   GLU  92          HB2       GLU  92 -13.048   7.409   4.616
  746   2HB   GLU  92          HB3       GLU  92 -12.833   8.302   3.123
  747   1HG   GLU  92          HG2       GLU  92 -15.011   9.387   3.483
  748   2HG   GLU  92          HG3       GLU  92 -15.155   8.534   5.017
  749    H    ASN  93           HN       ASN  93 -16.592   7.429   2.170
  750    HA   ASN  93           HA       ASN  93 -17.572   8.025   0.214
  751   1HB   ASN  93          HB2       ASN  93 -14.839   9.235  -0.247
  752   2HB   ASN  93          HB3       ASN  93 -16.190   9.461  -1.354
  753   1HD2  ASN  93          HD21      ASN  93 -14.860  10.268   1.742
  754   2HD2  ASN  93          HD22      ASN  93 -16.020  11.489   2.150
  755    H    GLN  94           HN       GLN  94 -16.395   5.463   0.481
  756    HA   GLN  94           HA       GLN  94 -16.280   3.555  -0.696
  757   1HB   GLN  94          HB2       GLN  94 -16.910   5.199  -3.146
  758   2HB   GLN  94          HB3       GLN  94 -17.053   3.455  -2.984
  759   1HG   GLN  94          HG2       GLN  94 -18.705   3.979  -1.085
  760   2HG   GLN  94          HG3       GLN  94 -18.750   5.599  -1.779
  761   1HE2  GLN  94          HE21      GLN  94 -18.268   4.392  -4.461
  762   2HE2  GLN  94          HE22      GLN  94 -19.807   3.779  -4.963
  763    H    ALA  95           HN       ALA  95 -13.950   5.417  -0.419
  764    HA   ALA  95           HA       ALA  95 -12.244   3.860  -2.203
  765   1HB   ALA  95          HB1       ALA  95 -12.093   6.867  -2.011
  766   2HB   ALA  95          HB2       ALA  95 -10.940   5.833  -2.857
  767   3HB   ALA  95          HB3       ALA  95 -12.610   5.931  -3.413
  768    HA   PRO  96           HA       PRO  96  -9.735   3.525   1.451
  769   1HB   PRO  96          HB2       PRO  96  -7.508   3.043  -0.410
  770   2HB   PRO  96          HB3       PRO  96  -8.186   1.977   0.827
  771   1HG   PRO  96          HG2       PRO  96  -8.565   1.502  -1.780
  772   2HG   PRO  96          HG3       PRO  96  -9.835   1.175  -0.591
  773   1HD   PRO  96          HD2       PRO  96  -9.536   3.509  -2.444
  774   2HD   PRO  96          HD3       PRO  96 -10.988   2.572  -2.050
  775    H    VAL  97           HN       VAL  97  -9.273   5.416   2.439
  776    HA   VAL  97           HA       VAL  97  -7.550   7.325   1.006
  777    HB   VAL  97           HB       VAL  97  -8.461   9.070   2.487
  778   1HG1  VAL  97          HG11      VAL  97 -10.548   7.463   1.015
  779   2HG1  VAL  97          HG12      VAL  97 -10.732   9.138   1.535
  780   3HG1  VAL  97          HG13      VAL  97  -9.512   8.718   0.332
  781   1HG2  VAL  97          HG21      VAL  97 -10.376   8.597   3.916
  782   2HG2  VAL  97          HG22      VAL  97 -10.279   6.887   3.490
  783   3HG2  VAL  97          HG23      VAL  97  -8.973   7.643   4.407
  784    H    HIS  98           HN       HIS  98  -7.706   5.251   3.705
  785    HA   HIS  98           HA       HIS  98  -5.090   6.230   4.581
  786   1HB   HIS  98          HB2       HIS  98  -7.441   5.702   6.409
  787   2HB   HIS  98          HB3       HIS  98  -5.785   5.781   6.976
  788    HD1  HIS  98           HD1      HIS  98  -4.612   8.164   6.855
  789    HD2  HIS  98           HD2      HIS  98  -8.700   8.114   6.096
  790    HE1  HIS  98           HE1      HIS  98  -5.372  10.548   7.074
  791    HE2  HIS  98           HE2      HIS  98  -7.884  10.429   6.913
  792    H    PHE  99           HN       PHE  99  -3.778   4.604   5.530
  793    HA   PHE  99           HA       PHE  99  -4.747   1.877   5.004
  794   1HB   PHE  99          HB2       PHE  99  -2.770   2.665   3.667
  795   2HB   PHE  99          HB3       PHE  99  -1.870   2.800   5.174
  796    HD1  PHE  99           HD1      PHE  99  -0.685   0.976   5.980
  797    HD2  PHE  99           HD2      PHE  99  -3.790   0.360   3.133
  798    HE1  PHE  99           HE1      PHE  99  -0.050  -1.394   5.805
  799    HE2  PHE  99           HE2      PHE  99  -3.162  -2.014   2.957
  800    HZ   PHE  99           HZ       PHE  99  -1.288  -2.892   4.291
  801    H    VAL 100           HN       VAL 100  -5.150   0.681   6.713
  802    HA   VAL 100           HA       VAL 100  -4.478   1.625   9.355
  803    HB   VAL 100           HB       VAL 100  -5.996  -0.824   8.440
  804   1HG1  VAL 100          HG11      VAL 100  -5.090  -1.190  10.653
  805   2HG1  VAL 100          HG12      VAL 100  -5.740   0.357  11.203
  806   3HG1  VAL 100          HG13      VAL 100  -6.834  -0.949  10.742
  807   1HG2  VAL 100          HG21      VAL 100  -7.093   1.253   7.808
  808   2HG2  VAL 100          HG22      VAL 100  -7.990   0.448   9.095
  809   3HG2  VAL 100          HG23      VAL 100  -6.974   1.839   9.467
  810    H    GLY 101           HN       GLY 101  -4.093  -1.526   7.733
  811   1HA   GLY 101          HA1       GLY 101  -1.374  -1.891   8.171
  812   2HA   GLY 101          HA2       GLY 101  -2.198  -2.530   9.590
  813    H    VAL 102           HN       VAL 102  -0.945  -4.461   8.449
  814    HA   VAL 102           HA       VAL 102  -2.801  -5.650   6.509
  815    HB   VAL 102           HB       VAL 102  -1.129  -6.860   5.524
  816   1HG1  VAL 102          HG11      VAL 102  -0.724  -4.539   5.062
  817   2HG1  VAL 102          HG12      VAL 102   0.286  -4.394   6.501
  818   3HG1  VAL 102          HG13      VAL 102   0.811  -5.403   5.154
  819   1HG2  VAL 102          HG21      VAL 102   0.982  -7.496   6.477
  820   2HG2  VAL 102          HG22      VAL 102   0.666  -6.518   7.914
  821   3HG2  VAL 102          HG23      VAL 102  -0.321  -7.940   7.577
  822    H    GLY 103           HN       GLY 103  -3.261  -7.907   6.689
  823   1HA   GLY 103          HA1       GLY 103  -3.488  -9.905   7.913
  824   2HA   GLY 103          HA2       GLY 103  -2.865  -9.089   9.339
  825    H    SER 104           HN       SER 104  -4.377  -7.121   9.942
  826    HA   SER 104           HA       SER 104  -7.191  -7.602   9.546
  827   1HB   SER 104          HB2       SER 104  -5.907  -8.011  12.256
  828   2HB   SER 104          HB3       SER 104  -7.640  -7.867  11.979
  829    HG   SER 104           HG       SER 104  -6.503  -9.705  10.339
  830    H    CYS 105           HN       CYS 105  -8.429  -6.079  11.142
  831    HA   CYS 105           HA       CYS 105  -7.240  -3.439  10.874
  832   1HB   CYS 105          HB2       CYS 105  -9.968  -4.347  11.818
  833   2HB   CYS 105          HB3       CYS 105  -9.485  -2.661  11.674
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1  -5.550  15.807   3.088
    2   2H    MET   1           H2       MET   1  -4.569  16.968   3.838
    3   3H    MET   1           H3       MET   1  -4.248  15.317   4.062
    4    HA   MET   1           HA       MET   1  -3.993  16.849   1.539
    5   1HB   MET   1          HB2       MET   1  -1.973  15.547   3.373
    6   2HB   MET   1          HB3       MET   1  -1.592  16.087   1.745
    7   1HG   MET   1          HG2       MET   1  -2.203  18.381   2.388
    8   2HG   MET   1          HG3       MET   1  -2.505  17.816   4.032
    9   1HE   MET   1          HE1       MET   1   0.845  19.852   4.363
   10   2HE   MET   1          HE2       MET   1  -0.530  20.214   3.319
   11   3HE   MET   1          HE3       MET   1  -0.801  19.662   4.971
   12    H    GLN   2           HN       GLN   2  -3.686  13.686   3.133
   13    HA   GLN   2           HA       GLN   2  -3.172  12.422   0.577
   14   1HB   GLN   2          HB2       GLN   2  -3.402  11.173   3.319
   15   2HB   GLN   2          HB3       GLN   2  -2.798  10.389   1.863
   16   1HG   GLN   2          HG2       GLN   2  -1.028  12.200   1.797
   17   2HG   GLN   2          HG3       GLN   2  -1.541  12.619   3.429
   18   1HE2  GLN   2          HE21      GLN   2  -1.158  11.167   5.112
   19   2HE2  GLN   2          HE22      GLN   2  -0.023   9.873   4.958
   20    H    ASP   3           HN       ASP   3  -4.503  11.176  -0.519
   21    HA   ASP   3           HA       ASP   3  -7.182  10.592   0.493
   22   1HB   ASP   3          HB2       ASP   3  -8.232  11.539  -1.427
   23   2HB   ASP   3          HB3       ASP   3  -7.096  12.761  -0.863
   24    H    TRP   4           HN       TRP   4  -8.200   9.507  -1.847
   25    HA   TRP   4           HA       TRP   4  -7.132   6.951  -1.978
   26   1HB   TRP   4          HB2       TRP   4  -9.345   7.262  -2.744
   27   2HB   TRP   4          HB3       TRP   4  -8.866   8.524  -3.872
   28    HD1  TRP   4           HD1      TRP   4  -9.029   7.716  -6.286
   29    HE1  TRP   4           HE1      TRP   4  -8.662   5.489  -7.530
   30    HE3  TRP   4           HE3      TRP   4  -7.692   4.771  -2.318
   31    HZ2  TRP   4           HZ2      TRP   4  -7.905   2.844  -6.907
   32    HZ3  TRP   4           HZ3      TRP   4  -7.169   2.402  -2.727
   33    HH2  TRP   4           HH2      TRP   4  -7.264   1.463  -4.979
   34    H    LEU   5           HN       LEU   5  -6.546   9.716  -4.147
   35    HA   LEU   5           HA       LEU   5  -4.940   8.178  -5.923
   36   1HB   LEU   5          HB2       LEU   5  -5.398  11.120  -5.660
   37   2HB   LEU   5          HB3       LEU   5  -4.306  10.430  -6.855
   38    HG   LEU   5           HG       LEU   5  -6.471   8.920  -7.314
   39   1HD1  LEU   5          HD11      LEU   5  -7.551  11.570  -6.400
   40   2HD1  LEU   5          HD12      LEU   5  -8.460  10.353  -7.298
   41   3HD1  LEU   5          HD13      LEU   5  -7.858   9.989  -5.681
   42   1HD2  LEU   5          HD21      LEU   5  -5.179  10.134  -8.947
   43   2HD2  LEU   5          HD22      LEU   5  -6.910  10.354  -9.212
   44   3HD2  LEU   5          HD23      LEU   5  -5.961  11.642  -8.469
   45    H    THR   6           HN       THR   6  -4.273  10.058  -3.072
   46    HA   THR   6           HA       THR   6  -1.416   9.989  -3.433
   47    HB   THR   6           HB       THR   6  -2.963  10.452  -0.878
   48    HG1  THR   6           HG1      THR   6  -3.610  11.991  -2.426
   49   1HG2  THR   6          HG21      THR   6  -0.949  11.665  -0.179
   50   2HG2  THR   6          HG22      THR   6  -0.165  11.240  -1.701
   51   3HG2  THR   6          HG23      THR   6  -0.590   9.976  -0.544
   52    H    PHE   7           HN       PHE   7  -3.860   8.115  -1.747
   53    HA   PHE   7           HA       PHE   7  -2.251   6.332  -0.324
   54   1HB   PHE   7          HB2       PHE   7  -4.708   6.540  -0.064
   55   2HB   PHE   7          HB3       PHE   7  -4.928   5.825  -1.654
   56    HD1  PHE   7           HD1      PHE   7  -4.311   5.195   1.858
   57    HD2  PHE   7           HD2      PHE   7  -4.369   3.445  -2.021
   58    HE1  PHE   7           HE1      PHE   7  -4.358   2.956   2.877
   59    HE2  PHE   7           HE2      PHE   7  -4.428   1.203  -1.009
   60    HZ   PHE   7           HZ       PHE   7  -4.485   0.968   1.465
   61    H    GLN   8           HN       GLN   8  -3.524   6.195  -3.612
   62    HA   GLN   8           HA       GLN   8  -2.655   3.734  -4.457
   63   1HB   GLN   8          HB2       GLN   8  -3.008   6.368  -5.814
   64   2HB   GLN   8          HB3       GLN   8  -2.335   5.011  -6.688
   65   1HG   GLN   8          HG2       GLN   8  -4.348   3.703  -6.191
   66   2HG   GLN   8          HG3       GLN   8  -5.015   5.094  -5.337
   67   1HE2  GLN   8          HE21      GLN   8  -5.758   6.850  -6.507
   68   2HE2  GLN   8          HE22      GLN   8  -6.022   6.782  -8.217
   69    H    LYS   9           HN       LYS   9  -0.916   6.800  -4.887
   70    HA   LYS   9           HA       LYS   9   1.349   5.809  -6.114
   71   1HB   LYS   9          HB2       LYS   9   1.087   8.157  -4.234
   72   2HB   LYS   9          HB3       LYS   9   2.448   7.880  -5.314
   73   1HG   LYS   9          HG2       LYS   9   1.144   8.248  -7.225
   74   2HG   LYS   9          HG3       LYS   9  -0.367   8.115  -6.323
   75   1HD   LYS   9          HD2       LYS   9   0.201  10.175  -5.112
   76   2HD   LYS   9          HD3       LYS   9   1.688  10.309  -6.056
   77   1HE   LYS   9          HE2       LYS   9   0.360  10.466  -8.110
   78   2HE   LYS   9          HE3       LYS   9  -1.120  10.343  -7.161
   79   1HZ   LYS   9          HZ1       LYS   9  -0.567  12.638  -7.756
   80   2HZ   LYS   9          HZ2       LYS   9   0.894  12.511  -6.899
   81   3HZ   LYS   9          HZ3       LYS   9  -0.584  12.410  -6.073
   82    H    LYS  10           HN       LYS  10   0.473   5.780  -2.755
   83    HA   LYS  10           HA       LYS  10   3.205   5.175  -1.943
   84   1HB   LYS  10          HB2       LYS  10   0.719   5.798  -0.381
   85   2HB   LYS  10          HB3       LYS  10   2.170   5.176   0.395
   86   1HG   LYS  10          HG2       LYS  10   3.368   7.144  -0.751
   87   2HG   LYS  10          HG3       LYS  10   1.744   7.802  -0.972
   88   1HD   LYS  10          HD2       LYS  10   1.357   7.696   1.429
   89   2HD   LYS  10          HD3       LYS  10   2.944   6.967   1.671
   90   1HE   LYS  10          HE2       LYS  10   3.161   9.267   2.210
   91   2HE   LYS  10          HE3       LYS  10   3.933   9.037   0.642
   92   1HZ   LYS  10          HZ1       LYS  10   1.864   9.841  -0.394
   93   2HZ   LYS  10          HZ2       LYS  10   2.602  11.009   0.581
   94   3HZ   LYS  10          HZ3       LYS  10   1.237  10.171   1.144
   95    H    HIS  11           HN       HIS  11   0.251   3.429  -2.519
   96    HA   HIS  11           HA       HIS  11   1.504   1.121  -1.188
   97   1HB   HIS  11          HB2       HIS  11  -1.369   1.981  -0.859
   98   2HB   HIS  11          HB3       HIS  11  -0.732   0.428  -0.328
   99    HD1  HIS  11           HD1      HIS  11   1.333   0.661   1.478
  100    HD2  HIS  11           HD2      HIS  11  -1.177   3.940   0.985
  101    HE1  HIS  11           HE1      HIS  11   1.685   2.096   3.511
  102    HE2  HIS  11           HE2      HIS  11   0.348   4.188   3.058
  103    H    ILE  12           HN       ILE  12   0.217   2.222  -4.050
  104    HA   ILE  12           HA       ILE  12  -0.673  -0.488  -4.766
  105    HB   ILE  12           HB       ILE  12  -1.333   2.156  -6.033
  106   1HG1  ILE  12          HG12      ILE  12  -2.799   0.128  -4.361
  107   2HG1  ILE  12          HG13      ILE  12  -2.594   1.853  -4.065
  108   1HG2  ILE  12          HG21      ILE  12  -2.804   0.863  -7.553
  109   2HG2  ILE  12          HG22      ILE  12  -1.094   0.501  -7.799
  110   3HG2  ILE  12          HG23      ILE  12  -2.114  -0.630  -6.910
  111   1HD1  ILE  12          HD11      ILE  12  -4.067   2.348  -5.916
  112   2HD1  ILE  12          HD12      ILE  12  -4.246   0.621  -6.231
  113   3HD1  ILE  12          HD13      ILE  12  -4.854   1.308  -4.726
  114    H    THR  13           HN       THR  13   0.631  -1.671  -5.934
  115    HA   THR  13           HA       THR  13   2.486  -0.358  -7.786
  116    HB   THR  13           HB       THR  13   3.752  -0.882  -5.733
  117    HG1  THR  13           HG1      THR  13   5.353  -1.289  -7.036
  118   1HG2  THR  13          HG21      THR  13   2.468  -2.817  -4.962
  119   2HG2  THR  13          HG22      THR  13   4.184  -3.209  -5.108
  120   3HG2  THR  13          HG23      THR  13   3.046  -3.753  -6.341
  121    H    ASN  14           HN       ASN  14   3.379  -1.864  -9.387
  122    HA   ASN  14           HA       ASN  14   1.395  -3.928 -10.085
  123   1HB   ASN  14          HB2       ASN  14   1.972  -3.383 -12.473
  124   2HB   ASN  14          HB3       ASN  14   1.156  -2.086 -11.604
  125   1HD2  ASN  14          HD21      ASN  14   4.137  -3.140 -13.044
  126   2HD2  ASN  14          HD22      ASN  14   4.933  -1.600 -13.001
  127    H    THR  15           HN       THR  15   4.159  -3.908  -8.725
  128    HA   THR  15           HA       THR  15   5.111  -6.262 -10.168
  129    HB   THR  15           HB       THR  15   6.569  -4.526 -11.005
  130    HG1  THR  15           HG1      THR  15   8.513  -5.346  -9.402
  131   1HG2  THR  15          HG21      THR  15   7.951  -3.144  -9.526
  132   2HG2  THR  15          HG22      THR  15   7.136  -3.837  -8.123
  133   3HG2  THR  15          HG23      THR  15   6.232  -2.848  -9.271
  134    H    ARG  16           HN       ARG  16   5.993  -7.846  -8.838
  135    HA   ARG  16           HA       ARG  16   5.181  -7.781  -6.120
  136   1HB   ARG  16          HB2       ARG  16   6.876  -9.708  -7.691
  137   2HB   ARG  16          HB3       ARG  16   6.563  -9.927  -5.973
  138   1HG   ARG  16          HG2       ARG  16   4.445  -9.723  -8.102
  139   2HG   ARG  16          HG3       ARG  16   5.035 -11.227  -7.390
  140   1HD   ARG  16          HD2       ARG  16   3.912  -9.009  -5.709
  141   2HD   ARG  16          HD3       ARG  16   2.877 -10.229  -6.444
  142    HE   ARG  16           HE       ARG  16   4.327 -11.881  -5.184
  143   1HH1  ARG  16          HH12      ARG  16   3.894  -8.595  -4.024
  144   2HH1  ARG  16          HH11      ARG  16   3.973  -9.041  -2.349
  145   1HH2  ARG  16          HH22      ARG  16   4.379 -12.475  -3.003
  146   2HH2  ARG  16          HH21      ARG  16   4.202 -11.268  -1.767
  147    H    ASP  17           HN       ASP  17   8.405  -7.625  -7.640
  148    HA   ASP  17           HA       ASP  17   9.410  -6.545  -5.134
  149   1HB   ASP  17          HB2       ASP  17  11.618  -6.573  -6.395
  150   2HB   ASP  17          HB3       ASP  17  10.925  -8.132  -5.993
  151    H    VAL  18           HN       VAL  18   8.345  -4.597  -5.134
  152    HA   VAL  18           HA       VAL  18   8.380  -2.775  -7.292
  153    HB   VAL  18           HB       VAL  18   6.678  -2.368  -5.741
  154   1HG1  VAL  18          HG11      VAL  18   8.759  -2.465  -3.564
  155   2HG1  VAL  18          HG12      VAL  18   7.094  -1.936  -3.314
  156   3HG1  VAL  18          HG13      VAL  18   7.423  -3.590  -3.831
  157   1HG2  VAL  18          HG21      VAL  18   7.178  -0.122  -4.762
  158   2HG2  VAL  18          HG22      VAL  18   8.855  -0.342  -5.273
  159   3HG2  VAL  18          HG23      VAL  18   7.565  -0.283  -6.476
  160    H    ASP  19           HN       ASP  19   9.821  -1.236  -7.895
  161    HA   ASP  19           HA       ASP  19  12.480  -1.513  -6.841
  162   1HB   ASP  19          HB2       ASP  19  11.970  -1.198  -9.285
  163   2HB   ASP  19          HB3       ASP  19  11.540   0.468  -8.917
  164    H    CYS  20           HN       CYS  20  11.513  -0.812  -4.736
  165    HA   CYS  20           HA       CYS  20  10.930   1.784  -4.047
  166   1HB   CYS  20          HB2       CYS  20  12.226  -0.486  -2.602
  167   2HB   CYS  20          HB3       CYS  20  12.022   1.076  -1.806
  168    H    ASP  21           HN       ASP  21  14.026   0.438  -4.870
  169    HA   ASP  21           HA       ASP  21  15.802   2.194  -3.715
  170   1HB   ASP  21          HB2       ASP  21  15.972   0.204  -5.604
  171   2HB   ASP  21          HB3       ASP  21  16.432   1.634  -6.524
  172    H    ASN  22           HN       ASN  22  13.928   2.659  -6.695
  173    HA   ASN  22           HA       ASN  22  14.843   5.438  -6.825
  174   1HB   ASN  22          HB2       ASN  22  14.770   4.125  -8.912
  175   2HB   ASN  22          HB3       ASN  22  13.047   3.885  -8.695
  176   1HD2  ASN  22          HD21      ASN  22  12.596   4.871 -10.663
  177   2HD2  ASN  22          HD22      ASN  22  12.700   6.588 -10.869
  178    H    ILE  23           HN       ILE  23  11.852   3.584  -6.659
  179    HA   ILE  23           HA       ILE  23  10.056   5.693  -6.721
  180    HB   ILE  23           HB       ILE  23   9.751   3.008  -5.379
  181   1HG1  ILE  23          HG12      ILE  23   8.858   4.052  -8.078
  182   2HG1  ILE  23          HG13      ILE  23  10.218   2.970  -7.801
  183   1HG2  ILE  23          HG21      ILE  23   7.630   5.033  -6.088
  184   2HG2  ILE  23          HG22      ILE  23   7.334   3.400  -5.492
  185   3HG2  ILE  23          HG23      ILE  23   8.133   4.586  -4.458
  186   1HD1  ILE  23          HD11      ILE  23   8.275   1.772  -8.617
  187   2HD1  ILE  23          HD12      ILE  23   8.696   1.258  -6.984
  188   3HD1  ILE  23          HD13      ILE  23   7.331   2.345  -7.241
  189    H    LEU  24           HN       LEU  24  11.625   4.267  -3.838
  190    HA   LEU  24           HA       LEU  24  10.071   5.923  -2.070
  191   1HB   LEU  24          HB2       LEU  24  12.535   4.283  -1.501
  192   2HB   LEU  24          HB3       LEU  24  11.567   5.087  -0.287
  193    HG   LEU  24           HG       LEU  24  10.782   2.729  -1.989
  194   1HD1  LEU  24          HD11      LEU  24  10.998   3.099   0.992
  195   2HD1  LEU  24          HD12      LEU  24  10.523   1.620   0.159
  196   3HD1  LEU  24          HD13      LEU  24  12.162   2.251  -0.027
  197   1HD2  LEU  24          HD21      LEU  24   8.634   2.777  -0.808
  198   2HD2  LEU  24          HD22      LEU  24   9.072   4.335  -0.105
  199   3HD2  LEU  24          HD23      LEU  24   8.858   4.187  -1.848
  200    H    SER  25           HN       SER  25  12.724   6.524  -4.027
  201    HA   SER  25           HA       SER  25  14.002   8.394  -2.209
  202   1HB   SER  25          HB2       SER  25  14.622   7.737  -5.096
  203   2HB   SER  25          HB3       SER  25  15.623   8.717  -4.020
  204    HG   SER  25           HG       SER  25  15.652   6.089  -4.304
  205    H    THR  26           HN       THR  26  11.280   8.536  -3.926
  206    HA   THR  26           HA       THR  26  11.518  11.138  -5.120
  207    HB   THR  26           HB       THR  26   9.035  10.991  -5.327
  208    HG1  THR  26           HG1      THR  26   9.096   8.328  -4.446
  209   1HG2  THR  26          HG21      THR  26  10.488  10.042  -7.069
  210   2HG2  THR  26          HG22      THR  26   8.998   9.116  -6.891
  211   3HG2  THR  26          HG23      THR  26  10.503   8.501  -6.207
  212    H    ASN  27           HN       ASN  27   9.647  12.762  -4.349
  213    HA   ASN  27           HA       ASN  27  10.243  13.362  -1.569
  214   1HB   ASN  27          HB2       ASN  27  10.150  15.107  -3.424
  215   2HB   ASN  27          HB3       ASN  27   8.403  14.893  -3.422
  216   1HD2  ASN  27          HD21      ASN  27  11.161  15.940  -1.553
  217   2HD2  ASN  27          HD22      ASN  27  10.276  16.930  -0.435
  218    H    LEU  28           HN       LEU  28   8.104  11.491  -3.192
  219    HA   LEU  28           HA       LEU  28   5.702  11.876  -1.718
  220   1HB   LEU  28          HB2       LEU  28   5.847  10.776  -3.935
  221   2HB   LEU  28          HB3       LEU  28   6.711   9.444  -3.197
  222    HG   LEU  28           HG       LEU  28   4.655   9.037  -1.779
  223   1HD1  LEU  28          HD11      LEU  28   3.409  10.910  -3.787
  224   2HD1  LEU  28          HD12      LEU  28   2.545   9.938  -2.597
  225   3HD1  LEU  28          HD13      LEU  28   3.615  11.236  -2.064
  226   1HD2  LEU  28          HD21      LEU  28   4.435   8.798  -4.773
  227   2HD2  LEU  28          HD22      LEU  28   5.216   7.651  -3.684
  228   3HD2  LEU  28          HD23      LEU  28   3.471   7.898  -3.601
  229    H    PHE  29           HN       PHE  29   8.552   9.842  -1.347
  230    HA   PHE  29           HA       PHE  29   7.538   8.928   1.271
  231   1HB   PHE  29          HB2       PHE  29   9.595   7.566  -0.480
  232   2HB   PHE  29          HB3       PHE  29   8.964   6.964   1.046
  233    HD1  PHE  29           HD1      PHE  29   8.465   7.193  -2.516
  234    HD2  PHE  29           HD2      PHE  29   6.588   6.236   1.181
  235    HE1  PHE  29           HE1      PHE  29   6.676   6.017  -3.729
  236    HE2  PHE  29           HE2      PHE  29   4.804   5.055  -0.025
  237    HZ   PHE  29           HZ       PHE  29   4.927   4.847  -2.500
  238    H    HIS  30           HN       HIS  30  10.478   9.690  -0.536
  239    HA   HIS  30           HA       HIS  30  12.496  10.519   0.002
  240   1HB   HIS  30          HB2       HIS  30  10.892  12.304   1.054
  241   2HB   HIS  30          HB3       HIS  30  11.467  11.640   2.582
  242    HD1  HIS  30           HD1      HIS  30  13.694  12.476   3.409
  243    HD2  HIS  30           HD2      HIS  30  13.024  13.355  -0.604
  244    HE1  HIS  30           HE1      HIS  30  15.615  13.947   2.697
  245    HE2  HIS  30           HE2      HIS  30  15.121  14.555   0.299
  246    H    CYS  31           HN       CYS  31  12.446   8.027   0.410
  247    HA   CYS  31           HA       CYS  31  12.957   6.184   1.612
  248   1HB   CYS  31          HB2       CYS  31  15.209   6.439   2.829
  249   2HB   CYS  31          HB3       CYS  31  15.147   6.630   1.085
  250    H    LYS  32           HN       LYS  32  11.019   6.470   2.912
  251    HA   LYS  32           HA       LYS  32  11.322   7.257   5.643
  252   1HB   LYS  32          HB2       LYS  32   9.077   6.376   5.947
  253   2HB   LYS  32          HB3       LYS  32   9.143   7.350   4.488
  254   1HG   LYS  32          HG2       LYS  32   9.401   5.190   3.199
  255   2HG   LYS  32          HG3       LYS  32   9.024   4.353   4.705
  256   1HD   LYS  32          HD2       LYS  32   7.256   6.419   3.397
  257   2HD   LYS  32          HD3       LYS  32   7.047   4.674   3.242
  258   1HE   LYS  32          HE2       LYS  32   6.742   4.494   5.658
  259   2HE   LYS  32          HE3       LYS  32   6.972   6.236   5.820
  260   1HZ   LYS  32          HZ1       LYS  32   4.790   4.965   4.258
  261   2HZ   LYS  32          HZ2       LYS  32   4.991   6.623   4.553
  262   3HZ   LYS  32          HZ3       LYS  32   4.626   5.573   5.833
  263    H    ASP  33           HN       ASP  33  10.820   5.644   7.411
  264    HA   ASP  33           HA       ASP  33  12.863   3.798   7.634
  265   1HB   ASP  33          HB2       ASP  33  11.755   4.676   9.581
  266   2HB   ASP  33          HB3       ASP  33  10.228   3.944   9.103
  267    H    LYS  34           HN       LYS  34   9.434   3.137   6.901
  268    HA   LYS  34           HA       LYS  34  10.178   1.055   5.110
  269   1HB   LYS  34          HB2       LYS  34   8.953  -0.776   6.256
  270   2HB   LYS  34          HB3       LYS  34  10.399  -0.267   7.109
  271   1HG   LYS  34          HG2       LYS  34   8.931  -0.481   8.843
  272   2HG   LYS  34          HG3       LYS  34   8.712   1.223   8.449
  273   1HD   LYS  34          HD2       LYS  34   6.717   0.721   7.186
  274   2HD   LYS  34          HD3       LYS  34   6.970  -1.011   7.412
  275   1HE   LYS  34          HE2       LYS  34   6.735  -0.684   9.852
  276   2HE   LYS  34          HE3       LYS  34   6.389   1.020   9.565
  277   1HZ   LYS  34          HZ1       LYS  34   4.779  -1.239   8.497
  278   2HZ   LYS  34          HZ2       LYS  34   4.424   0.410   8.345
  279   3HZ   LYS  34          HZ3       LYS  34   4.374  -0.325   9.867
  280    H    ASN  35           HN       ASN  35   8.398   0.234   3.888
  281    HA   ASN  35           HA       ASN  35   5.799   1.474   4.289
  282   1HB   ASN  35          HB2       ASN  35   7.148   3.151   2.996
  283   2HB   ASN  35          HB3       ASN  35   7.309   1.955   1.714
  284   1HD2  ASN  35          HD21      ASN  35   5.567   1.498   0.412
  285   2HD2  ASN  35          HD22      ASN  35   4.128   2.459   0.397
  286    H    THR  36           HN       THR  36   4.271   0.020   3.783
  287    HA   THR  36           HA       THR  36   5.049  -2.386   2.324
  288    HB   THR  36           HB       THR  36   2.383  -1.849   3.633
  289    HG1  THR  36           HG1      THR  36   4.677  -3.072   4.837
  290   1HG2  THR  36          HG21      THR  36   2.505  -3.795   2.142
  291   2HG2  THR  36          HG22      THR  36   2.309  -4.292   3.823
  292   3HG2  THR  36          HG23      THR  36   3.890  -4.404   3.048
  293    H    PHE  37           HN       PHE  37   4.609  -2.630   0.229
  294    HA   PHE  37           HA       PHE  37   2.521  -0.967  -0.998
  295   1HB   PHE  37          HB2       PHE  37   4.749  -2.586  -2.244
  296   2HB   PHE  37          HB3       PHE  37   3.519  -1.727  -3.163
  297    HD1  PHE  37           HD1      PHE  37   6.401  -1.338  -0.915
  298    HD2  PHE  37           HD2      PHE  37   3.649   0.622  -3.507
  299    HE1  PHE  37           HE1      PHE  37   7.810   0.675  -0.892
  300    HE2  PHE  37           HE2      PHE  37   5.056   2.635  -3.484
  301    HZ   PHE  37           HZ       PHE  37   7.141   2.656  -2.179
  302    H    ILE  38           HN       ILE  38   1.141  -1.951  -2.592
  303    HA   ILE  38           HA       ILE  38   0.448  -4.742  -1.957
  304    HB   ILE  38           HB       ILE  38  -1.381  -2.481  -2.800
  305   1HG1  ILE  38          HG12      ILE  38  -1.306  -3.890  -0.131
  306   2HG1  ILE  38          HG13      ILE  38  -0.441  -2.389  -0.443
  307   1HG2  ILE  38          HG21      ILE  38  -3.214  -4.031  -2.375
  308   2HG2  ILE  38          HG22      ILE  38  -2.135  -4.652  -3.624
  309   3HG2  ILE  38          HG23      ILE  38  -2.057  -5.307  -1.988
  310   1HD1  ILE  38          HD11      ILE  38  -3.417  -2.774  -0.663
  311   2HD1  ILE  38          HD12      ILE  38  -2.568  -2.007   0.679
  312   3HD1  ILE  38          HD13      ILE  38  -2.539  -1.267  -0.922
  313    H    TYR  39           HN       TYR  39   0.969  -6.017  -3.629
  314    HA   TYR  39           HA       TYR  39   1.110  -5.015  -6.322
  315   1HB   TYR  39          HB2       TYR  39   2.670  -6.750  -5.742
  316   2HB   TYR  39          HB3       TYR  39   1.375  -7.806  -5.188
  317    HD1  TYR  39           HD1      TYR  39   2.528  -6.033  -8.263
  318    HD2  TYR  39           HD2      TYR  39   0.569  -9.439  -6.637
  319    HE1  TYR  39           HE1      TYR  39   2.429  -7.033 -10.503
  320    HE2  TYR  39           HE2      TYR  39   0.465 -10.450  -8.877
  321    HH   TYR  39           HH       TYR  39   2.278  -9.307 -11.477
  322    H    SER  40           HN       SER  40  -0.945  -4.206  -6.493
  323    HA   SER  40           HA       SER  40  -2.795  -5.928  -7.784
  324   1HB   SER  40          HB2       SER  40  -3.568  -4.752  -5.093
  325   2HB   SER  40          HB3       SER  40  -4.740  -5.344  -6.266
  326    HG   SER  40           HG       SER  40  -2.694  -7.096  -5.668
  327    H    ARG  41           HN       ARG  41  -4.098  -4.698  -9.137
  328    HA   ARG  41           HA       ARG  41  -3.272  -2.036  -9.597
  329   1HB   ARG  41          HB2       ARG  41  -5.563  -3.672 -10.644
  330   2HB   ARG  41          HB3       ARG  41  -5.377  -1.985 -11.080
  331   1HG   ARG  41          HG2       ARG  41  -3.338  -4.146 -11.572
  332   2HG   ARG  41          HG3       ARG  41  -4.448  -3.477 -12.773
  333   1HD   ARG  41          HD2       ARG  41  -3.463  -1.227 -12.297
  334   2HD   ARG  41          HD3       ARG  41  -2.252  -2.032 -11.302
  335    HE   ARG  41           HE       ARG  41  -2.032  -3.323 -13.665
  336   1HH1  ARG  41          HH12      ARG  41  -2.136   0.082 -12.844
  337   2HH1  ARG  41          HH11      ARG  41  -1.057   0.555 -14.117
  338   1HH2  ARG  41          HH22      ARG  41  -0.635  -2.700 -15.366
  339   2HH2  ARG  41          HH21      ARG  41  -0.219  -1.023 -15.574
  340    HA   PRO  42           HA       PRO  42  -5.760   0.504  -7.010
  341   1HB   PRO  42          HB2       PRO  42  -6.789   2.280  -8.869
  342   2HB   PRO  42          HB3       PRO  42  -5.198   2.407  -8.118
  343   1HG   PRO  42          HG2       PRO  42  -5.953   1.317 -10.785
  344   2HG   PRO  42          HG3       PRO  42  -4.547   2.286 -10.333
  345   1HD   PRO  42          HD2       PRO  42  -4.375  -0.361 -10.738
  346   2HD   PRO  42          HD3       PRO  42  -3.413   0.458  -9.485
  347    H    GLU  43           HN       GLU  43  -7.174  -0.905  -9.857
  348    HA   GLU  43           HA       GLU  43  -9.853  -0.173  -9.386
  349   1HB   GLU  43          HB2       GLU  43  -8.649  -2.429 -10.988
  350   2HB   GLU  43          HB3       GLU  43 -10.332  -1.949 -11.059
  351   1HG   GLU  43          HG2       GLU  43  -9.852   0.048 -12.133
  352   2HG   GLU  43          HG3       GLU  43  -8.175   0.046 -11.590
  353    HA   PRO  44           HA       PRO  44 -10.446  -4.622  -7.510
  354   1HB   PRO  44          HB2       PRO  44  -8.161  -5.942  -6.786
  355   2HB   PRO  44          HB3       PRO  44  -8.985  -6.170  -8.329
  356   1HG   PRO  44          HG2       PRO  44  -6.599  -4.484  -7.679
  357   2HG   PRO  44          HG3       PRO  44  -6.883  -5.532  -9.083
  358   1HD   PRO  44          HD2       PRO  44  -7.189  -2.866  -9.225
  359   2HD   PRO  44          HD3       PRO  44  -8.230  -3.969 -10.124
  360    H    VAL  45           HN       VAL  45  -7.959  -2.431  -6.414
  361    HA   VAL  45           HA       VAL  45  -8.292  -3.230  -3.635
  362    HB   VAL  45           HB       VAL  45  -6.633  -1.003  -4.842
  363   1HG1  VAL  45          HG11      VAL  45  -6.723  -2.013  -2.002
  364   2HG1  VAL  45          HG12      VAL  45  -5.557  -0.854  -2.642
  365   3HG1  VAL  45          HG13      VAL  45  -7.270  -0.434  -2.567
  366   1HG2  VAL  45          HG21      VAL  45  -4.731  -2.449  -4.286
  367   2HG2  VAL  45          HG22      VAL  45  -5.855  -3.700  -3.751
  368   3HG2  VAL  45          HG23      VAL  45  -5.825  -3.206  -5.443
  369    H    LYS  46           HN       LYS  46  -9.227  -0.642  -5.803
  370    HA   LYS  46           HA       LYS  46 -10.491   0.998  -3.850
  371   1HB   LYS  46          HB2       LYS  46  -9.782   1.601  -6.241
  372   2HB   LYS  46          HB3       LYS  46 -11.236   0.776  -6.771
  373   1HG   LYS  46          HG2       LYS  46 -12.601   2.359  -5.511
  374   2HG   LYS  46          HG3       LYS  46 -11.136   3.182  -4.962
  375   1HD   LYS  46          HD2       LYS  46 -10.546   3.489  -7.397
  376   2HD   LYS  46          HD3       LYS  46 -12.177   2.940  -7.776
  377   1HE   LYS  46          HE2       LYS  46 -13.118   4.791  -6.532
  378   2HE   LYS  46          HE3       LYS  46 -11.507   5.307  -6.037
  379   1HZ   LYS  46          HZ1       LYS  46 -10.972   5.662  -8.389
  380   2HZ   LYS  46          HZ2       LYS  46 -12.260   6.636  -7.873
  381   3HZ   LYS  46          HZ3       LYS  46 -12.564   5.259  -8.815
  382    H    ALA  47           HN       ALA  47 -11.388  -1.799  -5.702
  383    HA   ALA  47           HA       ALA  47 -14.183  -1.715  -5.336
  384   1HB   ALA  47          HB1       ALA  47 -14.156  -4.048  -6.029
  385   2HB   ALA  47          HB2       ALA  47 -13.096  -3.080  -7.051
  386   3HB   ALA  47          HB3       ALA  47 -12.409  -4.110  -5.796
  387    H    ILE  48           HN       ILE  48 -11.628  -2.510  -3.184
  388    HA   ILE  48           HA       ILE  48 -13.031  -4.216  -1.413
  389    HB   ILE  48           HB       ILE  48 -10.812  -2.273  -0.705
  390   1HG1  ILE  48          HG12      ILE  48 -10.631  -5.185  -1.515
  391   2HG1  ILE  48          HG13      ILE  48 -10.224  -3.830  -2.561
  392   1HG2  ILE  48          HG21      ILE  48 -11.796  -4.774   0.666
  393   2HG2  ILE  48          HG22      ILE  48 -10.385  -3.831   1.146
  394   3HG2  ILE  48          HG23      ILE  48 -11.997  -3.118   1.239
  395   1HD1  ILE  48          HD11      ILE  48  -8.232  -4.804  -1.621
  396   2HD1  ILE  48          HD12      ILE  48  -8.461  -3.173  -0.993
  397   3HD1  ILE  48          HD13      ILE  48  -8.857  -4.568   0.011
  398    H    CYS  49           HN       CYS  49 -12.865  -0.754  -1.851
  399    HA   CYS  49           HA       CYS  49 -14.519  -0.323   0.527
  400   1HB   CYS  49          HB2       CYS  49 -12.980   1.598  -1.226
  401   2HB   CYS  49          HB3       CYS  49 -13.893   2.053   0.211
  402    H    LYS  50           HN       LYS  50 -15.260  -1.282  -2.307
  403    HA   LYS  50           HA       LYS  50 -16.860   0.663  -3.546
  404   1HB   LYS  50          HB2       LYS  50 -16.128  -1.408  -4.650
  405   2HB   LYS  50          HB3       LYS  50 -17.158  -2.344  -3.578
  406   1HG   LYS  50          HG2       LYS  50 -19.125  -1.175  -4.511
  407   2HG   LYS  50          HG3       LYS  50 -18.054  -0.350  -5.647
  408   1HD   LYS  50          HD2       LYS  50 -19.125  -2.306  -6.675
  409   2HD   LYS  50          HD3       LYS  50 -17.371  -2.496  -6.588
  410   1HE   LYS  50          HE2       LYS  50 -18.381  -4.568  -5.941
  411   2HE   LYS  50          HE3       LYS  50 -17.687  -3.820  -4.503
  412   1HZ   LYS  50          HZ1       LYS  50 -20.044  -2.892  -4.168
  413   2HZ   LYS  50          HZ2       LYS  50 -19.760  -4.523  -3.801
  414   3HZ   LYS  50          HZ3       LYS  50 -20.527  -4.104  -5.253
  415    H    GLY  51           HN       GLY  51 -18.386   1.724  -2.469
  416   1HA   GLY  51          HA1       GLY  51 -20.711   1.748  -1.896
  417   2HA   GLY  51          HA2       GLY  51 -20.528   0.128  -1.242
  418    H    ILE  52           HN       ILE  52 -17.873   1.702  -0.188
  419    HA   ILE  52           HA       ILE  52 -19.183   2.308   2.370
  420    HB   ILE  52           HB       ILE  52 -16.209   2.066   1.963
  421   1HG1  ILE  52          HG12      ILE  52 -17.191  -0.029   1.163
  422   2HG1  ILE  52          HG13      ILE  52 -16.377  -0.281   2.703
  423   1HG2  ILE  52          HG21      ILE  52 -17.985   1.723   4.383
  424   2HG2  ILE  52          HG22      ILE  52 -16.233   1.527   4.359
  425   3HG2  ILE  52          HG23      ILE  52 -16.948   3.107   4.035
  426   1HD1  ILE  52          HD11      ILE  52 -18.521  -0.266   3.851
  427   2HD1  ILE  52          HD12      ILE  52 -19.346   0.026   2.320
  428   3HD1  ILE  52          HD13      ILE  52 -18.485  -1.491   2.582
  429    H    ILE  53           HN       ILE  53 -19.881   4.402   2.063
  430    HA   ILE  53           HA       ILE  53 -18.116   6.402   0.965
  431    HB   ILE  53           HB       ILE  53 -20.946   6.457   1.979
  432   1HG1  ILE  53          HG12      ILE  53 -21.418   7.155  -0.339
  433   2HG1  ILE  53          HG13      ILE  53 -19.713   7.036  -0.722
  434   1HG2  ILE  53          HG21      ILE  53 -19.921   8.547   2.691
  435   2HG2  ILE  53          HG22      ILE  53 -19.332   8.832   1.053
  436   3HG2  ILE  53          HG23      ILE  53 -21.066   8.827   1.379
  437   1HD1  ILE  53          HD11      ILE  53 -20.865   5.120  -1.566
  438   2HD1  ILE  53          HD12      ILE  53 -19.825   4.621  -0.232
  439   3HD1  ILE  53          HD13      ILE  53 -21.565   4.787   0.022
  440    H    ALA  54           HN       ALA  54 -19.536   5.643   4.124
  441    HA   ALA  54           HA       ALA  54 -18.197   7.875   5.382
  442   1HB   ALA  54          HB1       ALA  54 -19.176   7.036   7.456
  443   2HB   ALA  54          HB2       ALA  54 -20.392   7.143   6.182
  444   3HB   ALA  54          HB3       ALA  54 -19.710   5.577   6.623
  445    H    SER  55           HN       SER  55 -16.379   7.850   6.572
  446    HA   SER  55           HA       SER  55 -14.340   6.076   6.054
  447   1HB   SER  55          HB2       SER  55 -14.011   8.334   6.987
  448   2HB   SER  55          HB3       SER  55 -14.683   7.796   8.527
  449    HG   SER  55           HG       SER  55 -12.876   6.755   8.983
  450    H    LYS  56           HN       LYS  56 -14.361   3.970   6.406
  451    HA   LYS  56           HA       LYS  56 -14.882   2.993   9.119
  452   1HB   LYS  56          HB2       LYS  56 -16.953   2.765   7.677
  453   2HB   LYS  56          HB3       LYS  56 -16.037   1.663   6.663
  454   1HG   LYS  56          HG2       LYS  56 -15.725   0.172   8.595
  455   2HG   LYS  56          HG3       LYS  56 -16.702   1.272   9.571
  456   1HD   LYS  56          HD2       LYS  56 -18.160  -0.459   8.865
  457   2HD   LYS  56          HD3       LYS  56 -18.542   0.947   7.866
  458   1HE   LYS  56          HE2       LYS  56 -17.114   0.021   6.077
  459   2HE   LYS  56          HE3       LYS  56 -16.834  -1.407   7.071
  460   1HZ   LYS  56          HZ1       LYS  56 -19.301  -1.722   7.067
  461   2HZ   LYS  56          HZ2       LYS  56 -18.552  -1.933   5.560
  462   3HZ   LYS  56          HZ3       LYS  56 -19.400  -0.501   5.892
  463    H    ASN  57           HN       ASN  57 -13.474   1.457   9.745
  464    HA   ASN  57           HA       ASN  57 -11.329   0.753   7.923
  465   1HB   ASN  57          HB2       ASN  57 -11.812   0.044  10.828
  466   2HB   ASN  57          HB3       ASN  57 -10.381  -0.426   9.918
  467   1HD2  ASN  57          HD21      ASN  57 -10.580   1.186  12.307
  468   2HD2  ASN  57          HD22      ASN  57  -9.871   2.721  11.917
  469    H    VAL  58           HN       VAL  58 -11.558  -0.914   6.569
  470    HA   VAL  58           HA       VAL  58 -13.138  -3.209   7.527
  471    HB   VAL  58           HB       VAL  58 -13.844  -3.699   5.306
  472   1HG1  VAL  58          HG11      VAL  58 -14.108  -0.735   5.740
  473   2HG1  VAL  58          HG12      VAL  58 -15.143  -1.735   4.721
  474   3HG1  VAL  58          HG13      VAL  58 -15.123  -1.981   6.467
  475   1HG2  VAL  58          HG21      VAL  58 -12.063  -1.462   4.368
  476   2HG2  VAL  58          HG22      VAL  58 -11.823  -3.187   4.087
  477   3HG2  VAL  58          HG23      VAL  58 -13.199  -2.357   3.359
  478    H    LEU  59           HN       LEU  59 -12.228  -5.144   7.534
  479    HA   LEU  59           HA       LEU  59  -9.465  -5.404   6.650
  480   1HB   LEU  59          HB2       LEU  59 -10.286  -6.072   8.960
  481   2HB   LEU  59          HB3       LEU  59 -11.160  -7.367   8.186
  482    HG   LEU  59           HG       LEU  59  -8.905  -7.878   9.286
  483   1HD1  LEU  59          HD11      LEU  59  -8.352  -9.554   7.606
  484   2HD1  LEU  59          HD12      LEU  59 -10.081  -9.487   7.941
  485   3HD1  LEU  59          HD13      LEU  59  -9.441  -8.757   6.470
  486   1HD2  LEU  59          HD21      LEU  59  -6.953  -7.574   7.891
  487   2HD2  LEU  59          HD22      LEU  59  -7.923  -6.695   6.708
  488   3HD2  LEU  59          HD23      LEU  59  -7.674  -6.024   8.321
  489    H    THR  60           HN       THR  60  -8.875  -6.714   4.979
  490    HA   THR  60           HA       THR  60 -10.947  -7.239   3.080
  491    HB   THR  60           HB       THR  60  -9.118  -8.087   1.621
  492    HG1  THR  60           HG1      THR  60  -7.437  -8.798   2.692
  493   1HG2  THR  60          HG21      THR  60  -8.606  -5.420   2.943
  494   2HG2  THR  60          HG22      THR  60  -9.701  -5.725   1.593
  495   3HG2  THR  60          HG23      THR  60  -7.963  -5.928   1.380
  496    H    THR  61           HN       THR  61 -11.799  -9.088   2.391
  497    HA   THR  61           HA       THR  61 -11.855 -11.290   4.158
  498    HB   THR  61           HB       THR  61 -13.175 -12.364   2.297
  499    HG1  THR  61           HG1      THR  61 -13.090 -11.472   0.382
  500   1HG2  THR  61          HG21      THR  61 -15.074 -10.831   2.532
  501   2HG2  THR  61          HG22      THR  61 -13.987  -9.574   3.127
  502   3HG2  THR  61          HG23      THR  61 -14.240 -11.044   4.073
  503    H    SER  62           HN       SER  62  -9.844 -10.497   1.515
  504    HA   SER  62           HA       SER  62  -8.747 -13.223   1.452
  505   1HB   SER  62          HB2       SER  62  -8.883 -11.317  -0.895
  506   2HB   SER  62          HB3       SER  62  -8.325 -12.990  -0.920
  507    HG   SER  62           HG       SER  62 -10.535 -12.615  -1.659
  508    H    GLU  63           HN       GLU  63  -6.490 -13.368   0.941
  509    HA   GLU  63           HA       GLU  63  -4.953 -11.158   1.995
  510   1HB   GLU  63          HB2       GLU  63  -3.711 -13.633   0.814
  511   2HB   GLU  63          HB3       GLU  63  -3.118 -12.603   2.098
  512   1HG   GLU  63          HG2       GLU  63  -3.740 -14.593   3.144
  513   2HG   GLU  63          HG3       GLU  63  -5.036 -13.457   3.504
  514    H    PHE  64           HN       PHE  64  -3.533  -9.904   0.860
  515    HA   PHE  64           HA       PHE  64  -3.644 -10.177  -2.071
  516   1HB   PHE  64          HB2       PHE  64  -3.332  -7.730  -0.335
  517   2HB   PHE  64          HB3       PHE  64  -3.026  -7.716  -2.064
  518    HD1  PHE  64           HD1      PHE  64  -4.774  -7.299  -3.549
  519    HD2  PHE  64           HD2      PHE  64  -5.660  -8.525   0.429
  520    HE1  PHE  64           HE1      PHE  64  -7.163  -6.886  -3.957
  521    HE2  PHE  64           HE2      PHE  64  -8.050  -8.112   0.026
  522    HZ   PHE  64           HZ       PHE  64  -8.798  -7.295  -2.206
  523    H    TYR  65           HN       TYR  65  -1.679  -9.358  -3.181
  524    HA   TYR  65           HA       TYR  65   0.619 -10.624  -1.964
  525   1HB   TYR  65          HB2       TYR  65   0.383  -9.246  -4.649
  526   2HB   TYR  65          HB3       TYR  65   1.693 -10.301  -4.128
  527    HD1  TYR  65           HD1      TYR  65  -1.310 -10.149  -5.930
  528    HD2  TYR  65           HD2      TYR  65   0.928 -12.716  -3.386
  529    HE1  TYR  65           HE1      TYR  65  -2.523 -12.087  -6.830
  530    HE2  TYR  65           HE2      TYR  65  -0.279 -14.664  -4.278
  531    HH   TYR  65           HH       TYR  65  -2.409 -15.168  -5.392
  532    H    LEU  66           HN       LEU  66   1.564  -9.409  -0.423
  533    HA   LEU  66           HA       LEU  66   1.726  -6.513  -0.836
  534   1HB   LEU  66          HB2       LEU  66   2.240  -8.121   1.663
  535   2HB   LEU  66          HB3       LEU  66   2.157  -6.373   1.551
  536    HG   LEU  66           HG       LEU  66  -0.124  -8.287   1.080
  537   1HD1  LEU  66          HD11      LEU  66   0.496  -8.084   3.429
  538   2HD1  LEU  66          HD12      LEU  66   0.380  -6.328   3.308
  539   3HD1  LEU  66          HD13      LEU  66  -1.063  -7.322   3.110
  540   1HD2  LEU  66          HD21      LEU  66  -0.090  -5.274   1.042
  541   2HD2  LEU  66          HD22      LEU  66  -0.291  -6.326  -0.361
  542   3HD2  LEU  66          HD23      LEU  66  -1.522  -6.296   0.902
  543    H    SER  67           HN       SER  67   3.647  -5.380  -0.621
  544    HA   SER  67           HA       SER  67   6.102  -6.991  -0.507
  545   1HB   SER  67          HB2       SER  67   5.636  -4.588  -2.286
  546   2HB   SER  67          HB3       SER  67   7.071  -5.611  -2.245
  547    HG   SER  67           HG       SER  67   6.082  -6.697  -3.740
  548    H    ASP  68           HN       ASP  68   7.069  -6.455   1.334
  549    HA   ASP  68           HA       ASP  68   6.689  -3.802   2.474
  550   1HB   ASP  68          HB2       ASP  68   7.570  -6.429   3.501
  551   2HB   ASP  68          HB3       ASP  68   8.353  -5.029   4.220
  552    H    CYS  69           HN       CYS  69   8.006  -2.242   1.832
  553    HA   CYS  69           HA       CYS  69  10.817  -2.892   1.364
  554   1HB   CYS  69          HB2       CYS  69   9.106  -0.499   0.762
  555   2HB   CYS  69          HB3       CYS  69  10.862  -0.363   0.755
  556    H    ASN  70           HN       ASN  70  12.188  -2.737   2.957
  557    HA   ASN  70           HA       ASN  70  11.602  -0.872   5.168
  558   1HB   ASN  70          HB2       ASN  70  12.974  -3.570   5.387
  559   2HB   ASN  70          HB3       ASN  70  12.657  -2.460   6.713
  560   1HD2  ASN  70          HD21      ASN  70  11.367  -4.873   4.626
  561   2HD2  ASN  70          HD22      ASN  70   9.827  -5.021   5.403
  562    H    VAL  71           HN       VAL  71  13.384   0.118   6.135
  563    HA   VAL  71           HA       VAL  71  15.609   0.554   4.387
  564    HB   VAL  71           HB       VAL  71  14.613   2.290   5.898
  565   1HG1  VAL  71          HG11      VAL  71  14.340   0.969   7.905
  566   2HG1  VAL  71          HG12      VAL  71  16.087   0.783   8.047
  567   3HG1  VAL  71          HG13      VAL  71  15.352   2.377   8.227
  568   1HG2  VAL  71          HG21      VAL  71  16.771   3.327   6.469
  569   2HG2  VAL  71          HG22      VAL  71  17.577   1.790   6.152
  570   3HG2  VAL  71          HG23      VAL  71  16.765   2.647   4.842
  571    H    THR  72           HN       THR  72  17.635  -0.131   4.552
  572    HA   THR  72           HA       THR  72  18.012  -2.606   6.010
  573    HB   THR  72           HB       THR  72  20.113  -2.737   4.668
  574    HG1  THR  72           HG1      THR  72  19.135  -0.414   3.340
  575   1HG2  THR  72          HG21      THR  72  17.626  -2.158   3.046
  576   2HG2  THR  72          HG22      THR  72  18.028  -3.703   3.800
  577   3HG2  THR  72          HG23      THR  72  19.035  -3.069   2.498
  578    H    SER  73           HN       SER  73  20.955  -2.095   5.837
  579    HA   SER  73           HA       SER  73  21.267  -1.012   8.496
  580   1HB   SER  73          HB2       SER  73  23.773  -1.621   7.773
  581   2HB   SER  73          HB3       SER  73  22.630  -2.843   8.332
  582    HG   SER  73           HG       SER  73  22.390  -3.581   6.331
  583    H    ARG  74           HN       ARG  74  21.305   0.129   5.351
  584    HA   ARG  74           HA       ARG  74  22.814   2.502   6.167
  585   1HB   ARG  74          HB2       ARG  74  24.014   1.625   4.356
  586   2HB   ARG  74          HB3       ARG  74  22.555   1.115   3.514
  587   1HG   ARG  74          HG2       ARG  74  21.990   3.442   3.093
  588   2HG   ARG  74          HG3       ARG  74  23.472   3.951   3.903
  589   1HD   ARG  74          HD2       ARG  74  24.819   2.867   2.230
  590   2HD   ARG  74          HD3       ARG  74  23.387   2.161   1.478
  591    HE   ARG  74           HE       ARG  74  23.120   4.964   1.534
  592   1HH1  ARG  74          HH12      ARG  74  25.061   2.506  -0.032
  593   2HH1  ARG  74          HH11      ARG  74  25.239   3.408  -1.507
  594   1HH2  ARG  74          HH22      ARG  74  23.352   6.145  -0.384
  595   2HH2  ARG  74          HH21      ARG  74  24.263   5.486  -1.709
  596    HA   PRO  75           HA       PRO  75  18.911   4.620   6.033
  597   1HB   PRO  75          HB2       PRO  75  20.581   6.989   5.409
  598   2HB   PRO  75          HB3       PRO  75  19.425   6.740   6.722
  599   1HG   PRO  75          HG2       PRO  75  22.060   6.730   7.179
  600   2HG   PRO  75          HG3       PRO  75  20.968   5.637   8.051
  601   1HD   PRO  75          HD2       PRO  75  22.812   5.058   5.772
  602   2HD   PRO  75          HD3       PRO  75  22.420   4.062   7.189
  603    H    CYS  76           HN       CYS  76  17.505   5.053   4.455
  604    HA   CYS  76           HA       CYS  76  16.608   5.358   2.412
  605   1HB   CYS  76          HB2       CYS  76  19.175   6.835   1.802
  606   2HB   CYS  76          HB3       CYS  76  17.681   6.934   0.873
  607    H    LYS  77           HN       LYS  77  18.680   3.128   2.965
  608    HA   LYS  77           HA       LYS  77  18.724   2.216   0.165
  609   1HB   LYS  77          HB2       LYS  77  20.924   2.130   1.282
  610   2HB   LYS  77          HB3       LYS  77  20.237   1.145   2.565
  611   1HG   LYS  77          HG2       LYS  77  21.309  -0.407   1.241
  612   2HG   LYS  77          HG3       LYS  77  19.644  -0.503   0.678
  613   1HD   LYS  77          HD2       LYS  77  21.730   1.203  -0.665
  614   2HD   LYS  77          HD3       LYS  77  21.440  -0.478  -1.107
  615   1HE   LYS  77          HE2       LYS  77  19.073   0.119  -1.580
  616   2HE   LYS  77          HE3       LYS  77  19.474   1.805  -1.261
  617   1HZ   LYS  77          HZ1       LYS  77  19.526   1.356  -3.623
  618   2HZ   LYS  77          HZ2       LYS  77  20.640   0.100  -3.396
  619   3HZ   LYS  77          HZ3       LYS  77  21.097   1.700  -3.073
  620    H    TYR  78           HN       TYR  78  17.228   0.707  -0.380
  621    HA   TYR  78           HA       TYR  78  15.446  -0.100   1.810
  622   1HB   TYR  78          HB2       TYR  78  14.577  -0.024  -1.056
  623   2HB   TYR  78          HB3       TYR  78  13.650   0.314   0.408
  624    HD1  TYR  78           HD1      TYR  78  13.899   2.528   1.538
  625    HD2  TYR  78           HD2      TYR  78  15.767   1.690  -2.189
  626    HE1  TYR  78           HE1      TYR  78  14.253   4.934   1.175
  627    HE2  TYR  78           HE2      TYR  78  16.119   4.091  -2.565
  628    HH   TYR  78           HH       TYR  78  15.284   6.212  -1.866
  629    H    LYS  79           HN       LYS  79  14.659  -2.141   1.952
  630    HA   LYS  79           HA       LYS  79  15.648  -4.116  -0.005
  631   1HB   LYS  79          HB2       LYS  79  16.546  -4.053   2.493
  632   2HB   LYS  79          HB3       LYS  79  15.040  -4.901   2.810
  633   1HG   LYS  79          HG2       LYS  79  16.843  -6.477   2.506
  634   2HG   LYS  79          HG3       LYS  79  15.682  -6.623   1.182
  635   1HD   LYS  79          HD2       LYS  79  17.113  -5.422  -0.304
  636   2HD   LYS  79          HD3       LYS  79  18.197  -4.970   1.013
  637   1HE   LYS  79          HE2       LYS  79  17.705  -7.789   0.060
  638   2HE   LYS  79          HE3       LYS  79  19.089  -6.794  -0.394
  639   1HZ   LYS  79          HZ1       LYS  79  18.407  -7.622   2.381
  640   2HZ   LYS  79          HZ2       LYS  79  19.753  -6.701   1.921
  641   3HZ   LYS  79          HZ3       LYS  79  19.619  -8.315   1.419
  642    H    LEU  80           HN       LEU  80  14.149  -5.527  -0.801
  643    HA   LEU  80           HA       LEU  80  11.369  -4.879  -0.152
  644   1HB   LEU  80          HB2       LEU  80  12.315  -4.755  -2.501
  645   2HB   LEU  80          HB3       LEU  80  12.412  -6.499  -2.467
  646    HG   LEU  80           HG       LEU  80  10.394  -5.337  -3.610
  647   1HD1  LEU  80          HD11      LEU  80   8.946  -7.214  -3.057
  648   2HD1  LEU  80          HD12      LEU  80  10.603  -7.742  -3.339
  649   3HD1  LEU  80          HD13      LEU  80   9.987  -7.618  -1.692
  650   1HD2  LEU  80          HD21      LEU  80   9.839  -3.892  -1.724
  651   2HD2  LEU  80          HD22      LEU  80   8.499  -4.954  -2.152
  652   3HD2  LEU  80          HD23      LEU  80   9.494  -5.316  -0.744
  653    H    LYS  81           HN       LYS  81   9.825  -6.453   0.279
  654    HA   LYS  81           HA       LYS  81  10.728  -9.197   0.804
  655   1HB   LYS  81          HB2       LYS  81  10.822  -7.878   2.936
  656   2HB   LYS  81          HB3       LYS  81   9.105  -7.553   2.758
  657   1HG   LYS  81          HG2       LYS  81   8.828 -10.106   2.707
  658   2HG   LYS  81          HG3       LYS  81  10.467 -10.148   3.362
  659   1HD   LYS  81          HD2       LYS  81   8.917 -10.222   5.194
  660   2HD   LYS  81          HD3       LYS  81   9.695  -8.637   5.194
  661   1HE   LYS  81          HE2       LYS  81   7.721  -7.772   3.915
  662   2HE   LYS  81          HE3       LYS  81   6.944  -9.330   4.185
  663   1HZ   LYS  81          HZ1       LYS  81   6.969  -8.960   6.527
  664   2HZ   LYS  81          HZ2       LYS  81   6.298  -7.582   5.786
  665   3HZ   LYS  81          HZ3       LYS  81   7.895  -7.547   6.357
  666    H    LYS  82           HN       LYS  82   9.395 -10.453  -0.383
  667    HA   LYS  82           HA       LYS  82   6.727  -9.514  -1.038
  668   1HB   LYS  82          HB2       LYS  82   8.057 -12.107  -1.822
  669   2HB   LYS  82          HB3       LYS  82   6.636 -11.379  -2.558
  670   1HG   LYS  82          HG2       LYS  82   8.062  -9.458  -3.250
  671   2HG   LYS  82          HG3       LYS  82   9.464 -10.357  -2.660
  672   1HD   LYS  82          HD2       LYS  82   8.912 -12.182  -4.202
  673   2HD   LYS  82          HD3       LYS  82   7.552 -11.238  -4.803
  674   1HE   LYS  82          HE2       LYS  82   9.281 -10.884  -6.358
  675   2HE   LYS  82          HE3       LYS  82   9.250  -9.431  -5.359
  676   1HZ   LYS  82          HZ1       LYS  82  11.483  -9.954  -5.467
  677   2HZ   LYS  82          HZ2       LYS  82  11.217 -11.623  -5.378
  678   3HZ   LYS  82          HZ3       LYS  82  11.034 -10.662  -3.993
  679    H    SER  83           HN       SER  83   5.016  -9.990   0.155
  680    HA   SER  83           HA       SER  83   4.862 -12.626   1.426
  681   1HB   SER  83          HB2       SER  83   4.178 -10.031   2.835
  682   2HB   SER  83          HB3       SER  83   4.037 -11.656   3.510
  683    HG   SER  83           HG       SER  83   6.483 -11.546   2.717
  684    H    THR  84           HN       THR  84   2.512 -12.958   2.272
  685    HA   THR  84           HA       THR  84   0.571 -11.511   0.607
  686    HB   THR  84           HB       THR  84   0.375 -14.502   0.914
  687    HG1  THR  84           HG1      THR  84   2.352 -13.953  -0.200
  688   1HG2  THR  84          HG21      THR  84  -1.071 -14.302  -1.055
  689   2HG2  THR  84          HG22      THR  84  -0.781 -12.563  -1.097
  690   3HG2  THR  84          HG23      THR  84  -1.652 -13.279   0.259
  691    H    ASN  85           HN       ASN  85  -0.819 -10.633   1.982
  692    HA   ASN  85           HA       ASN  85  -2.036 -12.217   4.077
  693   1HB   ASN  85          HB2       ASN  85   0.151 -10.942   4.921
  694   2HB   ASN  85          HB3       ASN  85  -0.973  -9.601   4.966
  695   1HD2  ASN  85          HD21      ASN  85   0.409 -11.003   7.130
  696   2HD2  ASN  85          HD22      ASN  85  -0.837 -11.537   8.208
  697    H    LYS  86           HN       LYS  86  -3.939 -11.128   4.979
  698    HA   LYS  86           HA       LYS  86  -5.272  -9.395   3.133
  699   1HB   LYS  86          HB2       LYS  86  -6.081  -9.819   6.003
  700   2HB   LYS  86          HB3       LYS  86  -7.108  -9.513   4.613
  701   1HG   LYS  86          HG2       LYS  86  -6.556 -11.767   3.754
  702   2HG   LYS  86          HG3       LYS  86  -5.630 -12.064   5.227
  703   1HD   LYS  86          HD2       LYS  86  -7.732 -11.519   6.505
  704   2HD   LYS  86          HD3       LYS  86  -8.569 -11.539   4.964
  705   1HE   LYS  86          HE2       LYS  86  -6.941 -13.867   5.916
  706   2HE   LYS  86          HE3       LYS  86  -8.634 -13.670   6.364
  707   1HZ   LYS  86          HZ1       LYS  86  -8.457 -15.089   4.458
  708   2HZ   LYS  86          HZ2       LYS  86  -7.548 -13.944   3.609
  709   3HZ   LYS  86          HZ3       LYS  86  -9.174 -13.632   3.977
  710    H    PHE  87           HN       PHE  87  -6.245  -7.252   4.082
  711    HA   PHE  87           HA       PHE  87  -4.626  -6.051   6.142
  712   1HB   PHE  87          HB2       PHE  87  -4.012  -4.059   4.765
  713   2HB   PHE  87          HB3       PHE  87  -3.179  -5.540   4.317
  714    HD1  PHE  87           HD1      PHE  87  -3.204  -6.272   2.093
  715    HD2  PHE  87           HD2      PHE  87  -6.031  -3.363   3.375
  716    HE1  PHE  87           HE1      PHE  87  -3.945  -5.975  -0.234
  717    HE2  PHE  87           HE2      PHE  87  -6.771  -3.058   1.050
  718    HZ   PHE  87           HZ       PHE  87  -5.609  -4.294  -0.788
  719    H    CYS  88           HN       CYS  88  -5.435  -4.053   6.915
  720    HA   CYS  88           HA       CYS  88  -8.316  -3.782   6.431
  721   1HB   CYS  88          HB2       CYS  88  -7.508  -4.242   8.757
  722   2HB   CYS  88          HB3       CYS  88  -6.641  -2.712   8.719
  723    H    VAL  89           HN       VAL  89  -8.934  -2.116   5.209
  724    HA   VAL  89           HA       VAL  89  -7.195   0.259   5.113
  725    HB   VAL  89           HB       VAL  89  -8.348   0.733   2.888
  726   1HG1  VAL  89          HG11      VAL  89  -6.569  -1.693   3.078
  727   2HG1  VAL  89          HG12      VAL  89  -6.825  -0.706   1.640
  728   3HG1  VAL  89          HG13      VAL  89  -6.032  -0.013   3.054
  729   1HG2  VAL  89          HG21      VAL  89 -10.203  -0.849   3.124
  730   2HG2  VAL  89          HG22      VAL  89  -9.259  -1.191   1.672
  731   3HG2  VAL  89          HG23      VAL  89  -9.062  -2.193   3.113
  732    H    THR  90           HN       THR  90  -8.090   2.242   5.459
  733    HA   THR  90           HA       THR  90 -10.746   2.300   6.572
  734    HB   THR  90           HB       THR  90  -8.992   4.677   5.965
  735    HG1  THR  90           HG1      THR  90  -9.068   3.073   8.334
  736   1HG2  THR  90          HG21      THR  90 -10.246   5.715   7.792
  737   2HG2  THR  90          HG22      THR  90 -11.182   4.233   7.995
  738   3HG2  THR  90          HG23      THR  90 -11.325   5.171   6.507
  739    H    CYS  91           HN       CYS  91 -12.380   2.208   5.159
  740    HA   CYS  91           HA       CYS  91 -12.075   3.344   2.502
  741   1HB   CYS  91          HB2       CYS  91 -14.314   1.762   3.771
  742   2HB   CYS  91          HB3       CYS  91 -14.242   2.235   2.074
  743    H    GLU  92           HN       GLU  92 -12.750   5.281   1.949
  744    HA   GLU  92           HA       GLU  92 -15.188   6.351   3.129
  745   1HB   GLU  92          HB2       GLU  92 -13.278   7.295   4.434
  746   2HB   GLU  92          HB3       GLU  92 -12.666   7.988   2.941
  747   1HG   GLU  92          HG2       GLU  92 -14.763   9.274   2.723
  748   2HG   GLU  92          HG3       GLU  92 -15.279   8.634   4.278
  749    H    ASN  93           HN       ASN  93 -16.429   7.366   1.657
  750    HA   ASN  93           HA       ASN  93 -17.227   7.998  -0.375
  751   1HB   ASN  93          HB2       ASN  93 -14.369   8.930  -0.758
  752   2HB   ASN  93          HB3       ASN  93 -15.711   9.357  -1.815
  753   1HD2  ASN  93          HD21      ASN  93 -13.928  10.978  -0.102
  754   2HD2  ASN  93          HD22      ASN  93 -14.995  11.906   0.896
  755    H    GLN  94           HN       GLN  94 -16.225   5.342   0.003
  756    HA   GLN  94           HA       GLN  94 -16.062   3.419  -1.155
  757   1HB   GLN  94          HB2       GLN  94 -16.565   5.160  -3.565
  758   2HB   GLN  94          HB3       GLN  94 -16.540   3.402  -3.581
  759   1HG   GLN  94          HG2       GLN  94 -18.365   3.499  -1.836
  760   2HG   GLN  94          HG3       GLN  94 -18.489   5.217  -2.209
  761   1HE2  GLN  94          HE21      GLN  94 -17.710   2.804  -4.598
  762   2HE2  GLN  94          HE22      GLN  94 -19.209   2.910  -5.464
  763    H    ALA  95           HN       ALA  95 -13.761   5.361  -0.790
  764    HA   ALA  95           HA       ALA  95 -11.914   3.853  -2.500
  765   1HB   ALA  95          HB1       ALA  95 -10.572   5.874  -2.856
  766   2HB   ALA  95          HB2       ALA  95 -12.203   6.061  -3.503
  767   3HB   ALA  95          HB3       ALA  95 -11.769   6.822  -1.973
  768    HA   PRO  96           HA       PRO  96  -9.764   3.212   1.379
  769   1HB   PRO  96          HB2       PRO  96  -7.491   2.514  -0.331
  770   2HB   PRO  96          HB3       PRO  96  -8.364   1.511   0.827
  771   1HG   PRO  96          HG2       PRO  96  -8.535   1.186  -1.872
  772   2HG   PRO  96          HG3       PRO  96  -9.832   0.746  -0.756
  773   1HD   PRO  96          HD2       PRO  96  -9.617   3.070  -2.574
  774   2HD   PRO  96          HD3       PRO  96 -11.053   2.196  -2.020
  775    H    VAL  97           HN       VAL  97  -9.320   5.215   2.227
  776    HA   VAL  97           HA       VAL  97  -7.356   6.888   0.817
  777    HB   VAL  97           HB       VAL  97  -8.251   8.770   2.185
  778   1HG1  VAL  97          HG11      VAL  97  -9.043   8.417  -0.084
  779   2HG1  VAL  97          HG12      VAL  97 -10.255   7.274   0.496
  780   3HG1  VAL  97          HG13      VAL  97 -10.364   8.977   0.942
  781   1HG2  VAL  97          HG21      VAL  97  -9.117   7.375   4.036
  782   2HG2  VAL  97          HG22      VAL  97 -10.327   8.492   3.398
  783   3HG2  VAL  97          HG23      VAL  97 -10.385   6.785   2.960
  784    H    HIS  98           HN       HIS  98  -7.906   5.154   3.735
  785    HA   HIS  98           HA       HIS  98  -5.324   6.133   4.749
  786   1HB   HIS  98          HB2       HIS  98  -7.890   5.733   6.268
  787   2HB   HIS  98          HB3       HIS  98  -6.340   5.627   7.080
  788    HD1  HIS  98           HD1      HIS  98  -5.745   7.718   8.208
  789    HD2  HIS  98           HD2      HIS  98  -7.983   8.421   4.769
  790    HE1  HIS  98           HE1      HIS  98  -6.078  10.210   8.105
  791    HE2  HIS  98           HE2      HIS  98  -7.534  10.598   6.089
  792    H    PHE  99           HN       PHE  99  -3.947   4.567   5.495
  793    HA   PHE  99           HA       PHE  99  -4.851   1.807   5.099
  794   1HB   PHE  99          HB2       PHE  99  -2.833   2.627   3.848
  795   2HB   PHE  99          HB3       PHE  99  -2.012   2.808   5.394
  796    HD1  PHE  99           HD1      PHE  99  -0.744   1.069   6.193
  797    HD2  PHE  99           HD2      PHE  99  -3.846   0.252   3.397
  798    HE1  PHE  99           HE1      PHE  99  -0.033  -1.282   6.103
  799    HE2  PHE  99           HE2      PHE  99  -3.140  -2.103   3.300
  800    HZ   PHE  99           HZ       PHE  99  -1.249  -2.876   4.642
  801    H    VAL 100           HN       VAL 100  -5.243   0.571   6.801
  802    HA   VAL 100           HA       VAL 100  -4.611   1.554   9.453
  803    HB   VAL 100           HB       VAL 100  -6.124  -0.923   8.596
  804   1HG1  VAL 100          HG11      VAL 100  -6.973  -0.948  10.902
  805   2HG1  VAL 100          HG12      VAL 100  -5.227  -1.191  10.824
  806   3HG1  VAL 100          HG13      VAL 100  -5.880   0.377  11.303
  807   1HG2  VAL 100          HG21      VAL 100  -7.151   1.761   9.519
  808   2HG2  VAL 100          HG22      VAL 100  -7.244   1.128   7.876
  809   3HG2  VAL 100          HG23      VAL 100  -8.142   0.345   9.178
  810    H    GLY 101           HN       GLY 101  -4.284  -1.661   7.925
  811   1HA   GLY 101          HA1       GLY 101  -1.538  -1.974   8.271
  812   2HA   GLY 101          HA2       GLY 101  -2.302  -2.567   9.741
  813    H    VAL 102           HN       VAL 102  -1.005  -4.484   8.570
  814    HA   VAL 102           HA       VAL 102  -2.840  -5.791   6.689
  815    HB   VAL 102           HB       VAL 102  -1.132  -7.002   5.793
  816   1HG1  VAL 102          HG11      VAL 102   0.826  -5.575   5.471
  817   2HG1  VAL 102          HG12      VAL 102  -0.684  -4.674   5.353
  818   3HG1  VAL 102          HG13      VAL 102   0.297  -4.561   6.813
  819   1HG2  VAL 102          HG21      VAL 102   0.946  -7.634   6.860
  820   2HG2  VAL 102          HG22      VAL 102   0.539  -6.665   8.279
  821   3HG2  VAL 102          HG23      VAL 102  -0.424  -8.086   7.871
  822    H    GLY 103           HN       GLY 103  -3.311  -8.039   6.956
  823   1HA   GLY 103          HA1       GLY 103  -3.580  -9.984   8.253
  824   2HA   GLY 103          HA2       GLY 103  -2.992  -9.110   9.663
  825    H    SER 104           HN       SER 104  -4.434  -7.435  10.547
  826    HA   SER 104           HA       SER 104  -7.282  -7.803   9.951
  827   1HB   SER 104          HB2       SER 104  -6.108  -7.955  12.734
  828   2HB   SER 104          HB3       SER 104  -7.806  -8.108  12.307
  829    HG   SER 104           HG       SER 104  -6.415 -10.099  12.665
  830    H    CYS 105           HN       CYS 105  -8.503  -6.216  11.554
  831    HA   CYS 105           HA       CYS 105  -7.331  -3.589  11.123
  832   1HB   CYS 105          HB2       CYS 105 -10.015  -4.436  12.226
  833   2HB   CYS 105          HB3       CYS 105  -9.528  -2.762  11.982
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1  -4.774  16.020   2.574
    2   2H    MET   1           H2       MET   1  -4.491  17.173   1.371
    3   3H    MET   1           H3       MET   1  -3.193  16.301   2.023
    4    HA   MET   1           HA       MET   1  -5.431  15.188   0.443
    5   1HB   MET   1          HB2       MET   1  -2.590  15.860  -0.278
    6   2HB   MET   1          HB3       MET   1  -3.483  14.625  -1.153
    7   1HG   MET   1          HG2       MET   1  -3.637  16.672  -2.361
    8   2HG   MET   1          HG3       MET   1  -5.217  16.313  -1.673
    9   1HE   MET   1          HE1       MET   1  -4.579  19.147  -2.824
   10   2HE   MET   1          HE2       MET   1  -6.101  18.753  -2.026
   11   3HE   MET   1          HE3       MET   1  -5.208  20.198  -1.555
   12    H    GLN   2           HN       GLN   2  -5.794  13.626   2.057
   13    HA   GLN   2           HA       GLN   2  -3.932  11.380   1.711
   14   1HB   GLN   2          HB2       GLN   2  -5.563  11.984   4.194
   15   2HB   GLN   2          HB3       GLN   2  -4.629  10.518   3.931
   16   1HG   GLN   2          HG2       GLN   2  -2.585  11.893   3.777
   17   2HG   GLN   2          HG3       GLN   2  -3.551  13.315   4.162
   18   1HE2  GLN   2          HE21      GLN   2  -2.430  13.741   6.029
   19   2HE2  GLN   2          HE22      GLN   2  -2.588  12.769   7.455
   20    H    ASP   3           HN       ASP   3  -5.118  10.780  -0.085
   21    HA   ASP   3           HA       ASP   3  -7.866   9.858   0.358
   22   1HB   ASP   3          HB2       ASP   3  -8.602  10.997  -1.695
   23   2HB   ASP   3          HB3       ASP   3  -8.000  12.162  -0.514
   24    H    TRP   4           HN       TRP   4  -8.528   9.152  -2.151
   25    HA   TRP   4           HA       TRP   4  -7.292   6.671  -2.440
   26   1HB   TRP   4          HB2       TRP   4  -9.574   7.092  -3.170
   27   2HB   TRP   4          HB3       TRP   4  -9.004   8.220  -4.393
   28    HD1  TRP   4           HD1      TRP   4  -9.479   7.079  -6.639
   29    HE1  TRP   4           HE1      TRP   4  -8.987   4.773  -7.677
   30    HE3  TRP   4           HE3      TRP   4  -7.534   4.749  -2.532
   31    HZ2  TRP   4           HZ2      TRP   4  -7.904   2.305  -6.855
   32    HZ3  TRP   4           HZ3      TRP   4  -6.809   2.404  -2.733
   33    HH2  TRP   4           HH2      TRP   4  -6.979   1.215  -4.859
   34    H    LEU   5           HN       LEU   5  -6.811   9.673  -4.295
   35    HA   LEU   5           HA       LEU   5  -5.107   8.480  -6.230
   36   1HB   LEU   5          HB2       LEU   5  -5.534  11.338  -5.376
   37   2HB   LEU   5          HB3       LEU   5  -4.437  10.889  -6.665
   38    HG   LEU   5           HG       LEU   5  -6.468  11.620  -7.659
   39   1HD1  LEU   5          HD11      LEU   5  -6.331   8.614  -7.731
   40   2HD1  LEU   5          HD12      LEU   5  -7.173   9.631  -8.901
   41   3HD1  LEU   5          HD13      LEU   5  -5.421   9.734  -8.744
   42   1HD2  LEU   5          HD21      LEU   5  -8.645  10.675  -7.193
   43   2HD2  LEU   5          HD22      LEU   5  -7.945   9.590  -5.991
   44   3HD2  LEU   5          HD23      LEU   5  -7.941  11.333  -5.716
   45    H    THR   6           HN       THR   6  -4.611  10.090  -3.162
   46    HA   THR   6           HA       THR   6  -1.758  10.153  -3.318
   47    HB   THR   6           HB       THR   6  -3.569  10.362  -0.895
   48    HG1  THR   6           HG1      THR   6  -4.085  12.160  -1.961
   49   1HG2  THR   6          HG21      THR   6  -1.227   9.853  -0.315
   50   2HG2  THR   6          HG22      THR   6  -1.684  11.484   0.178
   51   3HG2  THR   6          HG23      THR   6  -0.700  11.244  -1.265
   52    H    PHE   7           HN       PHE   7  -4.160   7.983  -1.948
   53    HA   PHE   7           HA       PHE   7  -2.470   6.209  -0.583
   54   1HB   PHE   7          HB2       PHE   7  -4.970   6.311  -0.412
   55   2HB   PHE   7          HB3       PHE   7  -5.070   5.576  -2.006
   56    HD1  PHE   7           HD1      PHE   7  -4.570   5.019   1.530
   57    HD2  PHE   7           HD2      PHE   7  -4.295   3.255  -2.332
   58    HE1  PHE   7           HE1      PHE   7  -4.488   2.785   2.563
   59    HE2  PHE   7           HE2      PHE   7  -4.227   1.016  -1.309
   60    HZ   PHE   7           HZ       PHE   7  -4.366   0.791   1.169
   61    H    GLN   8           HN       GLN   8  -3.599   6.294  -3.924
   62    HA   GLN   8           HA       GLN   8  -2.641   3.853  -4.810
   63   1HB   GLN   8          HB2       GLN   8  -3.353   6.425  -6.058
   64   2HB   GLN   8          HB3       GLN   8  -2.331   5.354  -6.999
   65   1HG   GLN   8          HG2       GLN   8  -4.005   3.556  -6.690
   66   2HG   GLN   8          HG3       GLN   8  -5.041   4.716  -5.857
   67   1HE2  GLN   8          HE21      GLN   8  -6.062   6.317  -7.033
   68   2HE2  GLN   8          HE22      GLN   8  -6.168   6.283  -8.762
   69    H    LYS   9           HN       LYS   9  -1.017   7.020  -5.166
   70    HA   LYS   9           HA       LYS   9   1.311   6.215  -6.377
   71   1HB   LYS   9          HB2       LYS   9   0.853   8.337  -4.287
   72   2HB   LYS   9          HB3       LYS   9   2.378   8.148  -5.137
   73   1HG   LYS   9          HG2       LYS   9   1.423   8.761  -7.197
   74   2HG   LYS   9          HG3       LYS   9  -0.221   8.594  -6.569
   75   1HD   LYS   9          HD2       LYS   9  -0.054  10.521  -5.274
   76   2HD   LYS   9          HD3       LYS   9   1.707  10.530  -5.341
   77   1HE   LYS   9          HE2       LYS   9   0.745  12.305  -6.716
   78   2HE   LYS   9          HE3       LYS   9   1.629  11.138  -7.694
   79   1HZ   LYS   9          HZ1       LYS   9  -1.308  11.046  -7.328
   80   2HZ   LYS   9          HZ2       LYS   9  -0.377  10.192  -8.462
   81   3HZ   LYS   9          HZ3       LYS   9  -0.559  11.873  -8.600
   82    H    LYS  10           HN       LYS  10   0.425   5.993  -3.016
   83    HA   LYS  10           HA       LYS  10   3.165   5.373  -2.235
   84   1HB   LYS  10          HB2       LYS  10   0.692   5.903  -0.591
   85   2HB   LYS  10          HB3       LYS  10   2.278   5.568   0.086
   86   1HG   LYS  10          HG2       LYS  10   3.170   7.584  -0.887
   87   2HG   LYS  10          HG3       LYS  10   1.650   7.891  -1.729
   88   1HD   LYS  10          HD2       LYS  10   0.522   8.035   0.481
   89   2HD   LYS  10          HD3       LYS  10   2.098   7.877   1.255
   90   1HE   LYS  10          HE2       LYS  10   1.352  10.057  -0.688
   91   2HE   LYS  10          HE3       LYS  10   1.294  10.222   1.065
   92   1HZ   LYS  10          HZ1       LYS  10   3.625  10.019   1.211
   93   2HZ   LYS  10          HZ2       LYS  10   3.340  11.101  -0.062
   94   3HZ   LYS  10          HZ3       LYS  10   3.773   9.499  -0.393
   95    H    HIS  11           HN       HIS  11   0.303   3.600  -2.950
   96    HA   HIS  11           HA       HIS  11   1.443   1.311  -1.494
   97   1HB   HIS  11          HB2       HIS  11  -1.455   2.136  -1.370
   98   2HB   HIS  11          HB3       HIS  11  -0.810   0.630  -0.729
   99    HD1  HIS  11           HD1      HIS  11   1.157   1.037   1.187
  100    HD2  HIS  11           HD2      HIS  11  -1.491   4.154   0.411
  101    HE1  HIS  11           HE1      HIS  11   1.304   2.569   3.182
  102    HE2  HIS  11           HE2      HIS  11  -0.420   4.370   2.756
  103    H    ILE  12           HN       ILE  12   0.034   2.423  -4.390
  104    HA   ILE  12           HA       ILE  12  -0.790  -0.304  -5.117
  105    HB   ILE  12           HB       ILE  12  -1.322   2.308  -6.554
  106   1HG1  ILE  12          HG12      ILE  12  -2.573   2.111  -4.474
  107   2HG1  ILE  12          HG13      ILE  12  -3.655   1.951  -5.848
  108   1HG2  ILE  12          HG21      ILE  12  -2.879   0.989  -7.945
  109   2HG2  ILE  12          HG22      ILE  12  -1.192   0.507  -8.154
  110   3HG2  ILE  12          HG23      ILE  12  -2.278  -0.481  -7.176
  111   1HD1  ILE  12          HD11      ILE  12  -2.593  -0.282  -4.140
  112   2HD1  ILE  12          HD12      ILE  12  -4.229   0.376  -4.120
  113   3HD1  ILE  12          HD13      ILE  12  -3.641  -0.481  -5.545
  114    H    THR  13           HN       THR  13   0.738  -1.505  -6.017
  115    HA   THR  13           HA       THR  13   2.503  -0.219  -7.984
  116    HB   THR  13           HB       THR  13   3.735  -0.779  -5.879
  117    HG1  THR  13           HG1      THR  13   5.284  -0.879  -7.305
  118   1HG2  THR  13          HG21      THR  13   3.146  -3.632  -6.687
  119   2HG2  THR  13          HG22      THR  13   2.546  -2.814  -5.244
  120   3HG2  THR  13          HG23      THR  13   4.272  -3.133  -5.423
  121    H    ASN  14           HN       ASN  14   3.250  -1.602  -9.681
  122    HA   ASN  14           HA       ASN  14   1.262  -3.666 -10.340
  123   1HB   ASN  14          HB2       ASN  14   1.228  -1.668 -11.770
  124   2HB   ASN  14          HB3       ASN  14   2.928  -1.902 -12.151
  125   1HD2  ASN  14          HD21      ASN  14   3.466  -3.175 -13.812
  126   2HD2  ASN  14          HD22      ASN  14   2.349  -4.126 -14.732
  127    H    THR  15           HN       THR  15   4.130  -3.628  -9.034
  128    HA   THR  15           HA       THR  15   5.041  -5.994 -10.524
  129    HB   THR  15           HB       THR  15   6.543  -4.132 -11.079
  130    HG1  THR  15           HG1      THR  15   8.378  -5.281 -10.728
  131   1HG2  THR  15          HG21      THR  15   7.970  -3.129  -9.350
  132   2HG2  THR  15          HG22      THR  15   7.072  -4.003  -8.110
  133   3HG2  THR  15          HG23      THR  15   6.266  -2.768  -9.079
  134    H    ARG  16           HN       ARG  16   6.003  -7.637  -9.280
  135    HA   ARG  16           HA       ARG  16   5.002  -7.818  -6.604
  136   1HB   ARG  16          HB2       ARG  16   6.658  -9.631  -8.335
  137   2HB   ARG  16          HB3       ARG  16   6.381  -9.996  -6.638
  138   1HG   ARG  16          HG2       ARG  16   4.200  -9.561  -8.658
  139   2HG   ARG  16          HG3       ARG  16   4.812 -11.141  -8.151
  140   1HD   ARG  16          HD2       ARG  16   3.684  -9.073  -6.277
  141   2HD   ARG  16          HD3       ARG  16   2.742 -10.399  -6.961
  142    HE   ARG  16           HE       ARG  16   4.458 -11.875  -5.825
  143   1HH1  ARG  16          HH12      ARG  16   3.661  -8.684  -4.598
  144   2HH1  ARG  16          HH11      ARG  16   4.001  -9.097  -2.949
  145   1HH2  ARG  16          HH22      ARG  16   4.889 -12.420  -3.674
  146   2HH2  ARG  16          HH21      ARG  16   4.652 -11.246  -2.415
  147    H    ASP  17           HN       ASP  17   8.087  -7.092  -8.059
  148    HA   ASP  17           HA       ASP  17   9.196  -6.761  -5.346
  149   1HB   ASP  17          HB2       ASP  17  10.236  -8.541  -6.928
  150   2HB   ASP  17          HB3       ASP  17  10.894  -7.163  -7.804
  151    H    VAL  18           HN       VAL  18   8.451  -4.648  -5.194
  152    HA   VAL  18           HA       VAL  18   8.895  -2.733  -7.255
  153    HB   VAL  18           HB       VAL  18   7.005  -2.294  -5.926
  154   1HG1  VAL  18          HG11      VAL  18   7.156  -1.900  -3.449
  155   2HG1  VAL  18          HG12      VAL  18   7.391  -3.574  -3.964
  156   3HG1  VAL  18          HG13      VAL  18   8.783  -2.583  -3.516
  157   1HG2  VAL  18          HG21      VAL  18   8.135  -0.263  -6.496
  158   2HG2  VAL  18          HG22      VAL  18   7.473  -0.096  -4.869
  159   3HG2  VAL  18          HG23      VAL  18   9.197  -0.405  -5.095
  160    H    ASP  19           HN       ASP  19  10.492  -1.242  -7.498
  161    HA   ASP  19           HA       ASP  19  12.962  -1.663  -6.178
  162   1HB   ASP  19          HB2       ASP  19  12.002   0.432  -8.123
  163   2HB   ASP  19          HB3       ASP  19  13.644   0.350  -7.528
  164    H    CYS  20           HN       CYS  20  12.295  -1.318  -4.002
  165    HA   CYS  20           HA       CYS  20  11.030   0.875  -2.955
  166   1HB   CYS  20          HB2       CYS  20  13.254  -0.564  -1.526
  167   2HB   CYS  20          HB3       CYS  20  11.821   0.208  -0.837
  168    H    ASP  21           HN       ASP  21  14.611   0.488  -3.090
  169    HA   ASP  21           HA       ASP  21  14.983   3.017  -1.828
  170   1HB   ASP  21          HB2       ASP  21  17.369   2.664  -2.163
  171   2HB   ASP  21          HB3       ASP  21  16.606   1.203  -1.551
  172    H    ASN  22           HN       ASN  22  14.038   2.378  -4.907
  173    HA   ASN  22           HA       ASN  22  15.306   4.810  -5.958
  174   1HB   ASN  22          HB2       ASN  22  15.349   2.728  -7.384
  175   2HB   ASN  22          HB3       ASN  22  13.594   2.813  -7.457
  176   1HD2  ASN  22          HD21      ASN  22  13.500   3.101  -9.653
  177   2HD2  ASN  22          HD22      ASN  22  14.018   4.566 -10.429
  178    H    ILE  23           HN       ILE  23  12.166   3.230  -5.658
  179    HA   ILE  23           HA       ILE  23  10.693   5.542  -6.408
  180    HB   ILE  23           HB       ILE  23   9.857   2.979  -5.051
  181   1HG1  ILE  23          HG12      ILE  23   9.579   4.027  -7.875
  182   2HG1  ILE  23          HG13      ILE  23  10.642   2.732  -7.341
  183   1HG2  ILE  23          HG21      ILE  23   8.301   4.757  -4.415
  184   2HG2  ILE  23          HG22      ILE  23   8.073   5.170  -6.115
  185   3HG2  ILE  23          HG23      ILE  23   7.543   3.598  -5.509
  186   1HD1  ILE  23          HD11      ILE  23   8.682   1.874  -8.484
  187   2HD1  ILE  23          HD12      ILE  23   8.707   1.366  -6.797
  188   3HD1  ILE  23          HD13      ILE  23   7.636   2.670  -7.307
  189    H    LEU  24           HN       LEU  24  11.739   4.218  -3.304
  190    HA   LEU  24           HA       LEU  24  10.089   6.009  -1.782
  191   1HB   LEU  24          HB2       LEU  24  12.440   4.407  -0.792
  192   2HB   LEU  24          HB3       LEU  24  11.182   5.133   0.183
  193    HG   LEU  24           HG       LEU  24  10.926   2.751  -1.649
  194   1HD1  LEU  24          HD11      LEU  24  10.571   3.085   1.324
  195   2HD1  LEU  24          HD12      LEU  24  10.301   1.598   0.413
  196   3HD1  LEU  24          HD13      LEU  24  11.921   2.287   0.516
  197   1HD2  LEU  24          HD21      LEU  24   8.764   4.144  -0.089
  198   2HD2  LEU  24          HD22      LEU  24   8.930   4.140  -1.845
  199   3HD2  LEU  24          HD23      LEU  24   8.604   2.634  -0.987
  200    H    SER  25           HN       SER  25  13.095   6.338  -3.350
  201    HA   SER  25           HA       SER  25  14.136   8.214  -1.395
  202   1HB   SER  25          HB2       SER  25  16.005   8.464  -3.127
  203   2HB   SER  25          HB3       SER  25  15.830   6.891  -2.353
  204    HG   SER  25           HG       SER  25  15.617   6.106  -4.272
  205    H    THR  26           HN       THR  26  11.844   8.429  -3.706
  206    HA   THR  26           HA       THR  26  12.459  11.076  -4.689
  207    HB   THR  26           HB       THR  26  10.182  11.034  -5.629
  208    HG1  THR  26           HG1      THR  26   9.801   8.378  -4.787
  209   1HG2  THR  26          HG21      THR  26  11.698   8.459  -6.079
  210   2HG2  THR  26          HG22      THR  26  11.989   9.993  -6.903
  211   3HG2  THR  26          HG23      THR  26  10.470   9.133  -7.151
  212    H    ASN  27           HN       ASN  27  10.547  12.753  -4.359
  213    HA   ASN  27           HA       ASN  27  10.522  13.416  -1.586
  214   1HB   ASN  27          HB2       ASN  27  10.350  14.939  -3.713
  215   2HB   ASN  27          HB3       ASN  27   8.625  14.639  -3.571
  216   1HD2  ASN  27          HD21      ASN  27   8.674  14.575  -0.639
  217   2HD2  ASN  27          HD22      ASN  27   8.893  16.219  -0.130
  218    H    LEU  28           HN       LEU  28   8.592  11.378  -3.469
  219    HA   LEU  28           HA       LEU  28   6.077  11.723  -2.201
  220   1HB   LEU  28          HB2       LEU  28   6.367  10.709  -4.422
  221   2HB   LEU  28          HB3       LEU  28   7.199   9.351  -3.694
  222    HG   LEU  28           HG       LEU  28   5.129   8.728  -2.506
  223   1HD1  LEU  28          HD11      LEU  28   3.858  10.939  -4.111
  224   2HD1  LEU  28          HD12      LEU  28   3.021   9.777  -3.081
  225   3HD1  LEU  28          HD13      LEU  28   4.122  10.956  -2.367
  226   1HD2  LEU  28          HD21      LEU  28   5.665   7.741  -4.674
  227   2HD2  LEU  28          HD22      LEU  28   3.925   7.913  -4.458
  228   3HD2  LEU  28          HD23      LEU  28   4.802   9.047  -5.485
  229    H    PHE  29           HN       PHE  29   8.975  10.187  -1.217
  230    HA   PHE  29           HA       PHE  29   7.588   9.048   1.100
  231   1HB   PHE  29          HB2       PHE  29   9.702   7.563  -0.480
  232   2HB   PHE  29          HB3       PHE  29   8.947   7.007   1.009
  233    HD1  PHE  29           HD1      PHE  29   8.703   7.190  -2.567
  234    HD2  PHE  29           HD2      PHE  29   6.498   6.461   0.995
  235    HE1  PHE  29           HE1      PHE  29   6.957   6.073  -3.884
  236    HE2  PHE  29           HE2      PHE  29   4.743   5.343  -0.316
  237    HZ   PHE  29           HZ       PHE  29   4.971   5.145  -2.757
  238    H    HIS  30           HN       HIS  30  10.308  10.486  -0.395
  239    HA   HIS  30           HA       HIS  30  12.275  11.305   0.274
  240   1HB   HIS  30          HB2       HIS  30  12.197  12.838   2.151
  241   2HB   HIS  30          HB3       HIS  30  10.775  12.997   1.148
  242    HD1  HIS  30           HD1      HIS  30  11.868  11.826   4.556
  243    HD2  HIS  30           HD2      HIS  30   8.378  12.507   2.405
  244    HE1  HIS  30           HE1      HIS  30  10.009  11.743   6.245
  245    HE2  HIS  30           HE2      HIS  30   7.895  12.066   4.919
  246    H    CYS  31           HN       CYS  31  12.295   8.671   0.630
  247    HA   CYS  31           HA       CYS  31  13.306   6.935   1.652
  248   1HB   CYS  31          HB2       CYS  31  14.954   9.041   3.069
  249   2HB   CYS  31          HB3       CYS  31  15.371   7.348   2.857
  250    H    LYS  32           HN       LYS  32  11.034   7.001   2.700
  251    HA   LYS  32           HA       LYS  32  10.994   7.406   5.538
  252   1HB   LYS  32          HB2       LYS  32   8.788   6.520   5.485
  253   2HB   LYS  32          HB3       LYS  32   8.967   7.473   4.021
  254   1HG   LYS  32          HG2       LYS  32   9.520   5.272   2.856
  255   2HG   LYS  32          HG3       LYS  32   8.913   4.491   4.314
  256   1HD   LYS  32          HD2       LYS  32   7.375   6.423   2.584
  257   2HD   LYS  32          HD3       LYS  32   7.179   4.670   2.598
  258   1HE   LYS  32          HE2       LYS  32   6.503   4.778   4.954
  259   2HE   LYS  32          HE3       LYS  32   6.689   6.530   4.920
  260   1HZ   LYS  32          HZ1       LYS  32   4.385   5.887   4.641
  261   2HZ   LYS  32          HZ2       LYS  32   4.779   4.967   3.270
  262   3HZ   LYS  32          HZ3       LYS  32   4.961   6.650   3.242
  263    H    ASP  33           HN       ASP  33  10.876   5.728   7.132
  264    HA   ASP  33           HA       ASP  33  12.959   3.899   6.928
  265   1HB   ASP  33          HB2       ASP  33  10.619   3.885   8.839
  266   2HB   ASP  33          HB3       ASP  33  12.076   2.915   9.029
  267    H    LYS  34           HN       LYS  34   9.464   3.328   6.583
  268    HA   LYS  34           HA       LYS  34  10.049   1.110   4.848
  269   1HB   LYS  34          HB2       LYS  34   8.688  -0.530   6.105
  270   2HB   LYS  34          HB3       LYS  34  10.142  -0.052   6.959
  271   1HG   LYS  34          HG2       LYS  34   8.708   0.078   8.693
  272   2HG   LYS  34          HG3       LYS  34   8.430   1.692   8.040
  273   1HD   LYS  34          HD2       LYS  34   6.309   0.641   8.505
  274   2HD   LYS  34          HD3       LYS  34   6.508   0.794   6.757
  275   1HE   LYS  34          HE2       LYS  34   7.194  -1.541   6.621
  276   2HE   LYS  34          HE3       LYS  34   7.049  -1.699   8.370
  277   1HZ   LYS  34          HZ1       LYS  34   4.836  -1.145   6.469
  278   2HZ   LYS  34          HZ2       LYS  34   4.671  -1.192   8.155
  279   3HZ   LYS  34          HZ3       LYS  34   5.109  -2.591   7.305
  280    H    ASN  35           HN       ASN  35   8.270   0.391   3.627
  281    HA   ASN  35           HA       ASN  35   5.728   1.774   3.915
  282   1HB   ASN  35          HB2       ASN  35   7.177   3.276   2.503
  283   2HB   ASN  35          HB3       ASN  35   7.260   1.980   1.319
  284   1HD2  ASN  35          HD21      ASN  35   5.495   1.523   0.066
  285   2HD2  ASN  35          HD22      ASN  35   4.099   2.545  -0.013
  286    H    THR  36           HN       THR  36   4.107   0.439   3.367
  287    HA   THR  36           HA       THR  36   4.841  -2.127   2.161
  288    HB   THR  36           HB       THR  36   2.206  -1.407   3.447
  289    HG1  THR  36           HG1      THR  36   4.561  -2.506   4.670
  290   1HG2  THR  36          HG21      THR  36   2.221  -3.467   2.121
  291   2HG2  THR  36          HG22      THR  36   2.063  -3.827   3.839
  292   3HG2  THR  36          HG23      THR  36   3.613  -4.053   3.029
  293    H    PHE  37           HN       PHE  37   4.508  -2.397   0.053
  294    HA   PHE  37           HA       PHE  37   2.428  -0.823  -1.297
  295   1HB   PHE  37          HB2       PHE  37   4.704  -2.457  -2.448
  296   2HB   PHE  37          HB3       PHE  37   3.525  -1.566  -3.397
  297    HD1  PHE  37           HD1      PHE  37   6.359  -1.271  -1.086
  298    HD2  PHE  37           HD2      PHE  37   3.727   0.794  -3.722
  299    HE1  PHE  37           HE1      PHE  37   7.837   0.692  -1.024
  300    HE2  PHE  37           HE2      PHE  37   5.205   2.753  -3.664
  301    HZ   PHE  37           HZ       PHE  37   7.264   2.694  -2.320
  302    H    ILE  38           HN       ILE  38   1.104  -1.881  -2.882
  303    HA   ILE  38           HA       ILE  38   0.495  -4.688  -2.217
  304    HB   ILE  38           HB       ILE  38  -1.439  -2.515  -3.062
  305   1HG1  ILE  38          HG12      ILE  38  -1.205  -3.822  -0.347
  306   2HG1  ILE  38          HG13      ILE  38  -0.451  -2.281  -0.744
  307   1HG2  ILE  38          HG21      ILE  38  -1.986  -5.322  -2.102
  308   2HG2  ILE  38          HG22      ILE  38  -3.190  -4.118  -2.565
  309   3HG2  ILE  38          HG23      ILE  38  -2.090  -4.778  -3.776
  310   1HD1  ILE  38          HD11      ILE  38  -3.397  -2.881  -0.800
  311   2HD1  ILE  38          HD12      ILE  38  -2.538  -1.948   0.426
  312   3HD1  ILE  38          HD13      ILE  38  -2.652  -1.339  -1.225
  313    H    TYR  39           HN       TYR  39   0.917  -5.998  -3.904
  314    HA   TYR  39           HA       TYR  39   0.951  -4.960  -6.603
  315   1HB   TYR  39          HB2       TYR  39   2.607  -6.636  -6.106
  316   2HB   TYR  39          HB3       TYR  39   1.381  -7.748  -5.513
  317    HD1  TYR  39           HD1      TYR  39   2.504  -5.988  -8.594
  318    HD2  TYR  39           HD2      TYR  39   0.403  -9.312  -6.971
  319    HE1  TYR  39           HE1      TYR  39   2.338  -6.969 -10.839
  320    HE2  TYR  39           HE2      TYR  39   0.229 -10.301  -9.217
  321    HH   TYR  39           HH       TYR  39   0.279  -9.554 -11.577
  322    H    SER  40           HN       SER  40  -1.075  -4.295  -6.958
  323    HA   SER  40           HA       SER  40  -2.956  -6.186  -7.926
  324   1HB   SER  40          HB2       SER  40  -3.581  -4.760  -5.325
  325   2HB   SER  40          HB3       SER  40  -4.836  -5.408  -6.373
  326    HG   SER  40           HG       SER  40  -2.772  -7.142  -5.704
  327    H    ARG  41           HN       ARG  41  -4.744  -5.037  -9.004
  328    HA   ARG  41           HA       ARG  41  -3.886  -2.475  -9.941
  329   1HB   ARG  41          HB2       ARG  41  -6.549  -3.821 -10.411
  330   2HB   ARG  41          HB3       ARG  41  -5.899  -2.457 -11.304
  331   1HG   ARG  41          HG2       ARG  41  -4.959  -5.295 -11.320
  332   2HG   ARG  41          HG3       ARG  41  -5.574  -4.336 -12.665
  333   1HD   ARG  41          HD2       ARG  41  -3.605  -2.885 -12.520
  334   2HD   ARG  41          HD3       ARG  41  -2.992  -3.856 -11.182
  335    HE   ARG  41           HE       ARG  41  -2.811  -4.445 -13.951
  336   1HH1  ARG  41          HH12      ARG  41  -3.028  -5.893 -10.772
  337   2HH1  ARG  41          HH11      ARG  41  -2.394  -7.426 -11.270
  338   1HH2  ARG  41          HH22      ARG  41  -1.944  -6.469 -14.618
  339   2HH2  ARG  41          HH21      ARG  41  -1.752  -7.747 -13.450
  340    HA   PRO  42           HA       PRO  42  -5.720   0.162  -7.023
  341   1HB   PRO  42          HB2       PRO  42  -6.816   2.107  -8.665
  342   2HB   PRO  42          HB3       PRO  42  -5.134   2.048  -8.135
  343   1HG   PRO  42          HG2       PRO  42  -6.324   1.284 -10.734
  344   2HG   PRO  42          HG3       PRO  42  -4.719   1.928 -10.379
  345   1HD   PRO  42          HD2       PRO  42  -5.227  -0.696 -10.974
  346   2HD   PRO  42          HD3       PRO  42  -3.840  -0.159 -10.009
  347    H    GLU  43           HN       GLU  43  -7.729  -0.837  -9.741
  348    HA   GLU  43           HA       GLU  43 -10.168   0.068  -8.598
  349   1HB   GLU  43          HB2       GLU  43  -9.593  -1.876 -10.823
  350   2HB   GLU  43          HB3       GLU  43 -11.208  -1.366 -10.366
  351   1HG   GLU  43          HG2       GLU  43 -10.662   0.937 -10.883
  352   2HG   GLU  43          HG3       GLU  43  -9.007   0.469 -11.272
  353    HA   PRO  44           HA       PRO  44 -10.648  -4.696  -7.341
  354   1HB   PRO  44          HB2       PRO  44  -7.832  -5.246  -6.951
  355   2HB   PRO  44          HB3       PRO  44  -9.093  -6.296  -7.544
  356   1HG   PRO  44          HG2       PRO  44  -7.211  -5.192  -9.144
  357   2HG   PRO  44          HG3       PRO  44  -8.839  -5.626  -9.696
  358   1HD   PRO  44          HD2       PRO  44  -7.675  -2.998  -9.181
  359   2HD   PRO  44          HD3       PRO  44  -9.041  -3.423 -10.207
  360    H    VAL  45           HN       VAL  45  -8.148  -2.481  -6.273
  361    HA   VAL  45           HA       VAL  45  -8.412  -3.323  -3.507
  362    HB   VAL  45           HB       VAL  45  -6.751  -1.120  -4.757
  363   1HG1  VAL  45          HG11      VAL  45  -7.296  -0.558  -2.450
  364   2HG1  VAL  45          HG12      VAL  45  -6.736  -2.145  -1.920
  365   3HG1  VAL  45          HG13      VAL  45  -5.592  -0.989  -2.605
  366   1HG2  VAL  45          HG21      VAL  45  -5.999  -3.315  -5.414
  367   2HG2  VAL  45          HG22      VAL  45  -4.861  -2.619  -4.259
  368   3HG2  VAL  45          HG23      VAL  45  -6.008  -3.854  -3.734
  369    H    LYS  46           HN       LYS  46  -9.353  -0.660  -5.594
  370    HA   LYS  46           HA       LYS  46 -10.609   0.896  -3.576
  371   1HB   LYS  46          HB2       LYS  46  -9.988   1.620  -5.939
  372   2HB   LYS  46          HB3       LYS  46 -11.413   0.745  -6.478
  373   1HG   LYS  46          HG2       LYS  46 -12.798   2.179  -5.022
  374   2HG   LYS  46          HG3       LYS  46 -11.347   3.098  -4.606
  375   1HD   LYS  46          HD2       LYS  46 -11.026   3.621  -6.981
  376   2HD   LYS  46          HD3       LYS  46 -12.511   2.752  -7.366
  377   1HE   LYS  46          HE2       LYS  46 -13.632   4.343  -5.702
  378   2HE   LYS  46          HE3       LYS  46 -12.171   5.309  -5.834
  379   1HZ   LYS  46          HZ1       LYS  46 -12.541   5.635  -8.134
  380   2HZ   LYS  46          HZ2       LYS  46 -14.023   5.946  -7.364
  381   3HZ   LYS  46          HZ3       LYS  46 -13.782   4.482  -8.179
  382    H    ALA  47           HN       ALA  47 -11.443  -1.891  -5.429
  383    HA   ALA  47           HA       ALA  47 -14.221  -1.976  -5.044
  384   1HB   ALA  47          HB1       ALA  47 -13.988  -4.393  -5.551
  385   2HB   ALA  47          HB2       ALA  47 -13.141  -3.362  -6.703
  386   3HB   ALA  47          HB3       ALA  47 -12.233  -4.215  -5.453
  387    H    ILE  48           HN       ILE  48 -11.579  -2.699  -2.926
  388    HA   ILE  48           HA       ILE  48 -12.965  -4.273  -1.031
  389    HB   ILE  48           HB       ILE  48 -10.665  -2.372  -0.514
  390   1HG1  ILE  48          HG12      ILE  48 -10.575  -5.321  -1.186
  391   2HG1  ILE  48          HG13      ILE  48 -10.275  -4.041  -2.357
  392   1HG2  ILE  48          HG21      ILE  48 -11.615  -4.813   0.986
  393   2HG2  ILE  48          HG22      ILE  48 -10.182  -3.857   1.369
  394   3HG2  ILE  48          HG23      ILE  48 -11.785  -3.137   1.513
  395   1HD1  ILE  48          HD11      ILE  48  -8.377  -3.283  -1.006
  396   2HD1  ILE  48          HD12      ILE  48  -8.668  -4.610   0.117
  397   3HD1  ILE  48          HD13      ILE  48  -8.198  -4.952  -1.547
  398    H    CYS  49           HN       CYS  49 -12.680  -0.842  -1.622
  399    HA   CYS  49           HA       CYS  49 -14.291  -0.227   0.743
  400   1HB   CYS  49          HB2       CYS  49 -12.756   1.549  -1.164
  401   2HB   CYS  49          HB3       CYS  49 -13.632   2.112   0.255
  402    H    LYS  50           HN       LYS  50 -15.004  -1.258  -2.151
  403    HA   LYS  50           HA       LYS  50 -16.657   0.644  -3.370
  404   1HB   LYS  50          HB2       LYS  50 -15.977  -1.301  -4.588
  405   2HB   LYS  50          HB3       LYS  50 -16.695  -2.372  -3.397
  406   1HG   LYS  50          HG2       LYS  50 -18.920  -1.623  -4.052
  407   2HG   LYS  50          HG3       LYS  50 -18.205  -0.530  -5.240
  408   1HD   LYS  50          HD2       LYS  50 -17.671  -3.489  -5.260
  409   2HD   LYS  50          HD3       LYS  50 -19.057  -2.783  -6.091
  410   1HE   LYS  50          HE2       LYS  50 -16.240  -1.848  -6.563
  411   2HE   LYS  50          HE3       LYS  50 -16.961  -3.175  -7.473
  412   1HZ   LYS  50          HZ1       LYS  50 -18.627  -1.728  -8.318
  413   2HZ   LYS  50          HZ2       LYS  50 -17.134  -0.959  -8.563
  414   3HZ   LYS  50          HZ3       LYS  50 -18.154  -0.458  -7.301
  415    H    GLY  51           HN       GLY  51 -18.314   1.635  -2.478
  416   1HA   GLY  51          HA1       GLY  51 -20.593   1.635  -1.853
  417   2HA   GLY  51          HA2       GLY  51 -20.390   0.021  -1.195
  418    H    ILE  52           HN       ILE  52 -17.781   1.749  -0.151
  419    HA   ILE  52           HA       ILE  52 -19.109   2.239   2.427
  420    HB   ILE  52           HB       ILE  52 -16.132   2.146   1.965
  421   1HG1  ILE  52          HG12      ILE  52 -17.058   0.005   1.211
  422   2HG1  ILE  52          HG13      ILE  52 -16.180  -0.194   2.721
  423   1HG2  ILE  52          HG21      ILE  52 -17.842   1.778   4.419
  424   2HG2  ILE  52          HG22      ILE  52 -16.084   1.636   4.369
  425   3HG2  ILE  52          HG23      ILE  52 -16.854   3.186   4.030
  426   1HD1  ILE  52          HD11      ILE  52 -19.165  -0.053   2.406
  427   2HD1  ILE  52          HD12      ILE  52 -18.210  -1.499   2.728
  428   3HD1  ILE  52          HD13      ILE  52 -18.304  -0.217   3.937
  429    H    ILE  53           HN       ILE  53 -19.932   4.308   2.107
  430    HA   ILE  53           HA       ILE  53 -18.252   6.393   1.052
  431    HB   ILE  53           HB       ILE  53 -21.081   6.358   2.086
  432   1HG1  ILE  53          HG12      ILE  53 -21.597   7.024  -0.227
  433   2HG1  ILE  53          HG13      ILE  53 -19.893   6.963  -0.634
  434   1HG2  ILE  53          HG21      ILE  53 -21.254   8.724   1.449
  435   2HG2  ILE  53          HG22      ILE  53 -20.114   8.478   2.774
  436   3HG2  ILE  53          HG23      ILE  53 -19.517   8.759   1.137
  437   1HD1  ILE  53          HD11      ILE  53 -21.005   5.007  -1.460
  438   2HD1  ILE  53          HD12      ILE  53 -19.920   4.541  -0.150
  439   3HD1  ILE  53          HD13      ILE  53 -21.658   4.652   0.141
  440    H    ALA  54           HN       ALA  54 -19.690   5.591   4.197
  441    HA   ALA  54           HA       ALA  54 -18.451   7.816   5.526
  442   1HB   ALA  54          HB1       ALA  54 -20.571   6.914   6.330
  443   2HB   ALA  54          HB2       ALA  54 -19.790   5.368   6.671
  444   3HB   ALA  54          HB3       ALA  54 -19.326   6.807   7.576
  445    H    SER  55           HN       SER  55 -16.600   7.868   6.684
  446    HA   SER  55           HA       SER  55 -14.467   6.238   6.046
  447   1HB   SER  55          HB2       SER  55 -14.458   8.537   7.174
  448   2HB   SER  55          HB3       SER  55 -14.694   7.674   8.693
  449    HG   SER  55           HG       SER  55 -12.469   7.811   7.037
  450    H    LYS  56           HN       LYS  56 -14.293   4.131   6.367
  451    HA   LYS  56           HA       LYS  56 -14.901   3.000   9.000
  452   1HB   LYS  56          HB2       LYS  56 -16.936   2.738   7.676
  453   2HB   LYS  56          HB3       LYS  56 -16.021   1.995   6.375
  454   1HG   LYS  56          HG2       LYS  56 -15.428   0.157   7.971
  455   2HG   LYS  56          HG3       LYS  56 -16.582   0.871   9.104
  456   1HD   LYS  56          HD2       LYS  56 -18.368   0.614   7.467
  457   2HD   LYS  56          HD3       LYS  56 -17.223  -0.051   6.302
  458   1HE   LYS  56          HE2       LYS  56 -16.764  -1.892   7.930
  459   2HE   LYS  56          HE3       LYS  56 -18.078  -1.262   8.923
  460   1HZ   LYS  56          HZ1       LYS  56 -18.894  -3.040   7.556
  461   2HZ   LYS  56          HZ2       LYS  56 -18.297  -2.307   6.152
  462   3HZ   LYS  56          HZ3       LYS  56 -19.573  -1.587   7.003
  463    H    ASN  57           HN       ASN  57 -13.175   1.858   9.616
  464    HA   ASN  57           HA       ASN  57 -11.178   0.918   7.803
  465   1HB   ASN  57          HB2       ASN  57 -11.696   0.181  10.697
  466   2HB   ASN  57          HB3       ASN  57 -10.279  -0.312   9.779
  467   1HD2  ASN  57          HD21      ASN  57 -10.414   1.219  12.212
  468   2HD2  ASN  57          HD22      ASN  57  -9.661   2.746  11.874
  469    H    VAL  58           HN       VAL  58 -11.399  -0.781   6.478
  470    HA   VAL  58           HA       VAL  58 -13.036  -3.033   7.442
  471    HB   VAL  58           HB       VAL  58 -13.817  -3.515   5.266
  472   1HG1  VAL  58          HG11      VAL  58 -14.984  -1.459   4.587
  473   2HG1  VAL  58          HG12      VAL  58 -15.064  -1.761   6.324
  474   3HG1  VAL  58          HG13      VAL  58 -13.956  -0.545   5.689
  475   1HG2  VAL  58          HG21      VAL  58 -13.139  -2.332   3.252
  476   2HG2  VAL  58          HG22      VAL  58 -11.990  -1.381   4.194
  477   3HG2  VAL  58          HG23      VAL  58 -11.764  -3.120   4.029
  478    H    LEU  59           HN       LEU  59 -12.128  -4.976   7.450
  479    HA   LEU  59           HA       LEU  59  -9.380  -5.235   6.535
  480   1HB   LEU  59          HB2       LEU  59 -10.162  -5.827   8.885
  481   2HB   LEU  59          HB3       LEU  59 -11.021  -7.168   8.170
  482    HG   LEU  59           HG       LEU  59  -8.707  -7.556   9.256
  483   1HD1  LEU  59          HD11      LEU  59  -9.337  -8.639   6.532
  484   2HD1  LEU  59          HD12      LEU  59  -8.225  -9.354   7.701
  485   3HD1  LEU  59          HD13      LEU  59  -9.946  -9.258   8.068
  486   1HD2  LEU  59          HD21      LEU  59  -6.829  -7.343   7.739
  487   2HD2  LEU  59          HD22      LEU  59  -7.873  -6.576   6.542
  488   3HD2  LEU  59          HD23      LEU  59  -7.548  -5.767   8.076
  489    H    THR  60           HN       THR  60  -8.787  -6.682   4.942
  490    HA   THR  60           HA       THR  60 -10.801  -7.173   2.998
  491    HB   THR  60           HB       THR  60  -8.970  -8.276   1.700
  492    HG1  THR  60           HG1      THR  60  -7.345  -8.959   2.856
  493   1HG2  THR  60          HG21      THR  60  -7.657  -6.219   1.382
  494   2HG2  THR  60          HG22      THR  60  -8.362  -5.554   2.856
  495   3HG2  THR  60          HG23      THR  60  -9.389  -5.893   1.463
  496    H    THR  61           HN       THR  61 -11.323  -9.161   2.006
  497    HA   THR  61           HA       THR  61 -11.937 -11.181   3.951
  498    HB   THR  61           HB       THR  61 -13.057 -12.213   1.873
  499    HG1  THR  61           HG1      THR  61 -12.433 -11.225   0.089
  500   1HG2  THR  61          HG21      THR  61 -14.265 -10.966   3.619
  501   2HG2  THR  61          HG22      THR  61 -14.930 -10.638   2.017
  502   3HG2  THR  61          HG23      THR  61 -13.875  -9.454   2.797
  503    H    SER  62           HN       SER  62  -9.503 -10.661   1.652
  504    HA   SER  62           HA       SER  62  -8.557 -13.411   1.895
  505   1HB   SER  62          HB2       SER  62  -7.979 -13.271  -0.613
  506   2HB   SER  62          HB3       SER  62  -9.662 -13.580  -0.179
  507    HG   SER  62           HG       SER  62 -10.220 -11.706  -0.990
  508    H    GLU  63           HN       GLU  63  -6.269 -13.630   1.050
  509    HA   GLU  63           HA       GLU  63  -4.723 -11.362   1.972
  510   1HB   GLU  63          HB2       GLU  63  -3.726 -14.012   0.911
  511   2HB   GLU  63          HB3       GLU  63  -2.775 -12.796   1.730
  512   1HG   GLU  63          HG2       GLU  63  -3.188 -14.521   3.274
  513   2HG   GLU  63          HG3       GLU  63  -4.177 -13.149   3.754
  514    H    PHE  64           HN       PHE  64  -3.561 -10.017   0.738
  515    HA   PHE  64           HA       PHE  64  -3.682 -10.420  -2.172
  516   1HB   PHE  64          HB2       PHE  64  -3.435  -7.918  -0.511
  517   2HB   PHE  64          HB3       PHE  64  -3.132  -7.934  -2.240
  518    HD1  PHE  64           HD1      PHE  64  -4.886  -7.427  -3.667
  519    HD2  PHE  64           HD2      PHE  64  -5.742  -8.957   0.212
  520    HE1  PHE  64           HE1      PHE  64  -7.290  -7.126  -4.083
  521    HE2  PHE  64           HE2      PHE  64  -8.149  -8.647  -0.197
  522    HZ   PHE  64           HZ       PHE  64  -8.914  -7.701  -2.382
  523    H    TYR  65           HN       TYR  65  -1.770  -9.493  -3.350
  524    HA   TYR  65           HA       TYR  65   0.608 -10.657  -2.190
  525   1HB   TYR  65          HB2       TYR  65   0.293  -9.255  -4.856
  526   2HB   TYR  65          HB3       TYR  65   1.618 -10.307  -4.367
  527    HD1  TYR  65           HD1      TYR  65  -1.251 -10.171  -6.281
  528    HD2  TYR  65           HD2      TYR  65   0.725 -12.722  -3.509
  529    HE1  TYR  65           HE1      TYR  65  -2.462 -12.100  -7.201
  530    HE2  TYR  65           HE2      TYR  65  -0.480 -14.661  -4.424
  531    HH   TYR  65           HH       TYR  65  -2.172 -14.557  -7.345
  532    H    LEU  66           HN       LEU  66   1.443  -9.381  -0.618
  533    HA   LEU  66           HA       LEU  66   1.614  -6.502  -1.117
  534   1HB   LEU  66          HB2       LEU  66   2.127  -7.991   1.451
  535   2HB   LEU  66          HB3       LEU  66   1.961  -6.258   1.251
  536    HG   LEU  66           HG       LEU  66  -0.233  -8.271   0.798
  537   1HD1  LEU  66          HD11      LEU  66   0.346  -8.093   3.148
  538   2HD1  LEU  66          HD12      LEU  66   0.225  -6.336   3.059
  539   3HD1  LEU  66          HD13      LEU  66  -1.215  -7.332   2.835
  540   1HD2  LEU  66          HD21      LEU  66  -0.492  -6.327  -0.618
  541   2HD2  LEU  66          HD22      LEU  66  -1.689  -6.300   0.675
  542   3HD2  LEU  66          HD23      LEU  66  -0.265  -5.259   0.768
  543    H    SER  67           HN       SER  67   3.527  -5.385  -0.982
  544    HA   SER  67           HA       SER  67   5.976  -6.962  -0.600
  545   1HB   SER  67          HB2       SER  67   5.575  -4.745  -2.627
  546   2HB   SER  67          HB3       SER  67   7.043  -5.694  -2.392
  547    HG   SER  67           HG       SER  67   6.184  -6.944  -3.858
  548    H    ASP  68           HN       ASP  68   6.849  -6.254   1.232
  549    HA   ASP  68           HA       ASP  68   6.270  -3.519   2.108
  550   1HB   ASP  68          HB2       ASP  68   5.764  -5.430   3.629
  551   2HB   ASP  68          HB3       ASP  68   7.485  -5.805   3.677
  552    H    CYS  69           HN       CYS  69   7.726  -2.033   1.669
  553    HA   CYS  69           HA       CYS  69  10.508  -2.787   1.281
  554   1HB   CYS  69          HB2       CYS  69   9.017  -0.190   0.898
  555   2HB   CYS  69          HB3       CYS  69  10.749  -0.373   0.627
  556    H    ASN  70           HN       ASN  70  11.927  -2.690   2.876
  557    HA   ASN  70           HA       ASN  70  11.449  -0.797   5.068
  558   1HB   ASN  70          HB2       ASN  70  12.063  -2.535   6.712
  559   2HB   ASN  70          HB3       ASN  70  10.593  -2.937   5.835
  560   1HD2  ASN  70          HD21      ASN  70  10.630  -4.605   4.320
  561   2HD2  ASN  70          HD22      ASN  70  11.888  -5.791   4.303
  562    H    VAL  71           HN       VAL  71  13.280  -0.178   6.244
  563    HA   VAL  71           HA       VAL  71  15.568   0.113   4.562
  564    HB   VAL  71           HB       VAL  71  14.718   1.934   5.988
  565   1HG1  VAL  71          HG11      VAL  71  15.772   0.290   8.278
  566   2HG1  VAL  71          HG12      VAL  71  15.210   1.959   8.379
  567   3HG1  VAL  71          HG13      VAL  71  14.082   0.674   7.949
  568   1HG2  VAL  71          HG21      VAL  71  17.558   1.105   6.572
  569   2HG2  VAL  71          HG22      VAL  71  17.001   2.043   5.187
  570   3HG2  VAL  71          HG23      VAL  71  16.899   2.723   6.811
  571    H    THR  72           HN       THR  72  17.626  -0.567   4.861
  572    HA   THR  72           HA       THR  72  17.915  -3.004   6.449
  573    HB   THR  72           HB       THR  72  20.025  -3.261   5.058
  574    HG1  THR  72           HG1      THR  72  18.830  -1.215   3.463
  575   1HG2  THR  72          HG21      THR  72  17.983  -4.471   4.509
  576   2HG2  THR  72          HG22      THR  72  18.801  -3.953   3.034
  577   3HG2  THR  72          HG23      THR  72  17.381  -3.081   3.609
  578    H    SER  73           HN       SER  73  20.962  -2.269   5.958
  579    HA   SER  73           HA       SER  73  21.313  -1.207   8.628
  580   1HB   SER  73          HB2       SER  73  23.740  -1.631   8.162
  581   2HB   SER  73          HB3       SER  73  22.726  -3.065   7.992
  582    HG   SER  73           HG       SER  73  24.129  -1.624   6.076
  583    H    ARG  74           HN       ARG  74  21.402  -0.106   5.363
  584    HA   ARG  74           HA       ARG  74  22.650   2.395   6.203
  585   1HB   ARG  74          HB2       ARG  74  23.937   1.432   4.479
  586   2HB   ARG  74          HB3       ARG  74  22.510   0.966   3.562
  587   1HG   ARG  74          HG2       ARG  74  22.047   3.261   3.063
  588   2HG   ARG  74          HG3       ARG  74  23.425   3.790   4.033
  589   1HD   ARG  74          HD2       ARG  74  24.927   2.542   2.533
  590   2HD   ARG  74          HD3       ARG  74  23.539   2.069   1.554
  591    HE   ARG  74           HE       ARG  74  23.461   4.821   1.676
  592   1HH1  ARG  74          HH12      ARG  74  25.652   2.355   0.488
  593   2HH1  ARG  74          HH11      ARG  74  26.402   3.409  -0.682
  594   1HH2  ARG  74          HH22      ARG  74  24.405   6.187   0.132
  595   2HH2  ARG  74          HH21      ARG  74  25.682   5.600  -0.888
  596    HA   PRO  75           HA       PRO  75  18.685   4.301   5.973
  597   1HB   PRO  75          HB2       PRO  75  19.519   6.878   5.492
  598   2HB   PRO  75          HB3       PRO  75  19.493   6.115   7.086
  599   1HG   PRO  75          HG2       PRO  75  21.777   6.497   5.198
  600   2HG   PRO  75          HG3       PRO  75  21.743   6.644   6.965
  601   1HD   PRO  75          HD2       PRO  75  22.755   4.478   5.728
  602   2HD   PRO  75          HD3       PRO  75  21.909   4.363   7.283
  603    H    CYS  76           HN       CYS  76  17.227   4.561   4.446
  604    HA   CYS  76           HA       CYS  76  16.183   4.968   2.503
  605   1HB   CYS  76          HB2       CYS  76  17.420   7.146   2.580
  606   2HB   CYS  76          HB3       CYS  76  18.656   6.423   1.564
  607    H    LYS  77           HN       LYS  77  18.645   2.912   2.856
  608    HA   LYS  77           HA       LYS  77  18.298   1.855   0.133
  609   1HB   LYS  77          HB2       LYS  77  20.340   1.211   2.265
  610   2HB   LYS  77          HB3       LYS  77  20.120   0.224   0.825
  611   1HG   LYS  77          HG2       LYS  77  20.828   3.151   0.814
  612   2HG   LYS  77          HG3       LYS  77  21.979   1.828   0.629
  613   1HD   LYS  77          HD2       LYS  77  19.645   2.381  -1.207
  614   2HD   LYS  77          HD3       LYS  77  21.322   2.824  -1.534
  615   1HE   LYS  77          HE2       LYS  77  21.943   0.442  -1.425
  616   2HE   LYS  77          HE3       LYS  77  20.250   0.026  -1.166
  617   1HZ   LYS  77          HZ1       LYS  77  20.929  -0.242  -3.483
  618   2HZ   LYS  77          HZ2       LYS  77  21.328   1.405  -3.571
  619   3HZ   LYS  77          HZ3       LYS  77  19.715   0.936  -3.332
  620    H    TYR  78           HN       TYR  78  16.920   0.199  -0.140
  621    HA   TYR  78           HA       TYR  78  15.803  -0.941   2.327
  622   1HB   TYR  78          HB2       TYR  78  14.236  -0.022  -0.085
  623   2HB   TYR  78          HB3       TYR  78  13.569  -0.695   1.402
  624    HD1  TYR  78           HD1      TYR  78  14.413   0.613   3.603
  625    HD2  TYR  78           HD2      TYR  78  14.179   2.241  -0.312
  626    HE1  TYR  78           HE1      TYR  78  14.251   2.878   4.557
  627    HE2  TYR  78           HE2      TYR  78  14.024   4.500   0.621
  628    HH   TYR  78           HH       TYR  78  14.908   5.417   3.357
  629    H    LYS  79           HN       LYS  79  14.905  -2.937   2.255
  630    HA   LYS  79           HA       LYS  79  15.511  -4.563  -0.120
  631   1HB   LYS  79          HB2       LYS  79  16.632  -5.363   1.894
  632   2HB   LYS  79          HB3       LYS  79  15.112  -5.352   2.773
  633   1HG   LYS  79          HG2       LYS  79  14.255  -7.146   1.475
  634   2HG   LYS  79          HG3       LYS  79  15.639  -7.092   0.383
  635   1HD   LYS  79          HD2       LYS  79  15.745  -7.761   3.322
  636   2HD   LYS  79          HD3       LYS  79  15.801  -8.933   2.002
  637   1HE   LYS  79          HE2       LYS  79  17.802  -6.739   2.525
  638   2HE   LYS  79          HE3       LYS  79  18.037  -8.457   2.842
  639   1HZ   LYS  79          HZ1       LYS  79  19.085  -7.818   0.779
  640   2HZ   LYS  79          HZ2       LYS  79  17.620  -7.217   0.168
  641   3HZ   LYS  79          HZ3       LYS  79  17.800  -8.879   0.460
  642    H    LEU  80           HN       LEU  80  13.885  -5.882  -0.969
  643    HA   LEU  80           HA       LEU  80  11.194  -5.000  -0.343
  644   1HB   LEU  80          HB2       LEU  80  12.154  -5.306  -2.703
  645   2HB   LEU  80          HB3       LEU  80  11.973  -7.025  -2.427
  646    HG   LEU  80           HG       LEU  80  10.118  -5.733  -3.691
  647   1HD1  LEU  80          HD11      LEU  80   8.411  -7.227  -2.824
  648   2HD1  LEU  80          HD12      LEU  80   9.945  -8.066  -3.060
  649   3HD1  LEU  80          HD13      LEU  80   9.439  -7.596  -1.438
  650   1HD2  LEU  80          HD21      LEU  80   8.376  -4.830  -2.276
  651   2HD2  LEU  80          HD22      LEU  80   9.366  -5.131  -0.847
  652   3HD2  LEU  80          HD23      LEU  80   9.887  -3.951  -2.047
  653    H    LYS  81           HN       LYS  81   9.584  -6.289   0.406
  654    HA   LYS  81           HA       LYS  81  10.384  -8.911   1.484
  655   1HB   LYS  81          HB2       LYS  81  10.516  -7.210   3.266
  656   2HB   LYS  81          HB3       LYS  81   8.852  -6.751   2.948
  657   1HG   LYS  81          HG2       LYS  81   8.133  -9.013   3.615
  658   2HG   LYS  81          HG3       LYS  81   9.810  -9.399   4.018
  659   1HD   LYS  81          HD2       LYS  81   9.834  -7.594   5.664
  660   2HD   LYS  81          HD3       LYS  81   8.171  -7.178   5.244
  661   1HE   LYS  81          HE2       LYS  81   8.170  -8.477   7.264
  662   2HE   LYS  81          HE3       LYS  81   7.467  -9.434   5.964
  663   1HZ   LYS  81          HZ1       LYS  81   9.561 -10.609   5.731
  664   2HZ   LYS  81          HZ2       LYS  81   8.991 -10.732   7.327
  665   3HZ   LYS  81          HZ3       LYS  81  10.259  -9.668   6.960
  666    H    LYS  82           HN       LYS  82   9.175 -10.247   0.292
  667    HA   LYS  82           HA       LYS  82   6.526  -9.486  -0.565
  668   1HB   LYS  82          HB2       LYS  82   8.012 -12.083  -0.963
  669   2HB   LYS  82          HB3       LYS  82   6.577 -11.557  -1.830
  670   1HG   LYS  82          HG2       LYS  82   7.899  -9.632  -2.699
  671   2HG   LYS  82          HG3       LYS  82   9.330 -10.364  -1.969
  672   1HD   LYS  82          HD2       LYS  82   8.981 -12.377  -3.316
  673   2HD   LYS  82          HD3       LYS  82   7.555 -11.635  -4.037
  674   1HE   LYS  82          HE2       LYS  82   9.365 -11.366  -5.574
  675   2HE   LYS  82          HE3       LYS  82   9.023  -9.789  -4.860
  676   1HZ   LYS  82          HZ1       LYS  82  11.345 -10.018  -4.833
  677   2HZ   LYS  82          HZ2       LYS  82  11.274 -11.614  -4.261
  678   3HZ   LYS  82          HZ3       LYS  82  10.864 -10.331  -3.235
  679    H    SER  83           HN       SER  83   4.740  -9.906   0.535
  680    HA   SER  83           HA       SER  83   4.530 -12.384   2.049
  681   1HB   SER  83          HB2       SER  83   3.965  -9.669   3.265
  682   2HB   SER  83          HB3       SER  83   3.605 -11.221   4.023
  683    HG   SER  83           HG       SER  83   6.151 -11.236   3.252
  684    H    THR  84           HN       THR  84   2.600 -13.305   1.742
  685    HA   THR  84           HA       THR  84   0.497 -11.721   0.459
  686    HB   THR  84           HB       THR  84   0.371 -14.690   0.971
  687    HG1  THR  84           HG1      THR  84   2.166 -13.389  -0.595
  688   1HG2  THR  84          HG21      THR  84  -1.673 -13.610   0.209
  689   2HG2  THR  84          HG22      THR  84  -1.020 -14.644  -1.063
  690   3HG2  THR  84          HG23      THR  84  -0.809 -12.895  -1.151
  691    H    ASN  85           HN       ASN  85  -0.935 -10.792   1.771
  692    HA   ASN  85           HA       ASN  85  -2.083 -12.216   3.995
  693   1HB   ASN  85          HB2       ASN  85   0.195 -10.942   4.673
  694   2HB   ASN  85          HB3       ASN  85  -0.951  -9.624   4.809
  695   1HD2  ASN  85          HD21      ASN  85   0.589 -11.045   6.864
  696   2HD2  ASN  85          HD22      ASN  85  -0.581 -11.641   7.998
  697    H    LYS  86           HN       LYS  86  -3.856 -11.022   4.968
  698    HA   LYS  86           HA       LYS  86  -5.270  -9.327   3.177
  699   1HB   LYS  86          HB2       LYS  86  -5.726  -9.788   6.127
  700   2HB   LYS  86          HB3       LYS  86  -6.887  -9.145   4.978
  701   1HG   LYS  86          HG2       LYS  86  -6.818 -11.329   3.784
  702   2HG   LYS  86          HG3       LYS  86  -5.802 -11.947   5.090
  703   1HD   LYS  86          HD2       LYS  86  -7.531 -11.481   6.697
  704   2HD   LYS  86          HD3       LYS  86  -8.521 -10.744   5.456
  705   1HE   LYS  86          HE2       LYS  86  -9.377 -12.924   5.854
  706   2HE   LYS  86          HE3       LYS  86  -8.552 -12.946   4.300
  707   1HZ   LYS  86          HZ1       LYS  86  -7.224 -13.802   6.799
  708   2HZ   LYS  86          HZ2       LYS  86  -6.742 -14.099   5.195
  709   3HZ   LYS  86          HZ3       LYS  86  -8.111 -14.873   5.827
  710    H    PHE  87           HN       PHE  87  -6.142  -7.152   4.140
  711    HA   PHE  87           HA       PHE  87  -4.423  -5.858   6.033
  712   1HB   PHE  87          HB2       PHE  87  -3.782  -3.967   4.543
  713   2HB   PHE  87          HB3       PHE  87  -3.028  -5.495   4.111
  714    HD1  PHE  87           HD1      PHE  87  -3.471  -6.539   2.008
  715    HD2  PHE  87           HD2      PHE  87  -5.562  -3.013   3.139
  716    HE1  PHE  87           HE1      PHE  87  -4.296  -6.293  -0.297
  717    HE2  PHE  87           HE2      PHE  87  -6.384  -2.762   0.836
  718    HZ   PHE  87           HZ       PHE  87  -5.692  -4.359  -0.904
  719    H    CYS  88           HN       CYS  88  -5.342  -4.065   6.972
  720    HA   CYS  88           HA       CYS  88  -8.173  -3.702   6.312
  721   1HB   CYS  88          HB2       CYS  88  -7.165  -4.124   8.735
  722   2HB   CYS  88          HB3       CYS  88  -6.842  -2.398   8.658
  723    H    VAL  89           HN       VAL  89  -8.766  -1.992   5.147
  724    HA   VAL  89           HA       VAL  89  -6.976   0.346   5.115
  725    HB   VAL  89           HB       VAL  89  -8.142   0.909   2.914
  726   1HG1  VAL  89          HG11      VAL  89  -6.647  -0.554   1.625
  727   2HG1  VAL  89          HG12      VAL  89  -5.842   0.164   3.021
  728   3HG1  VAL  89          HG13      VAL  89  -6.364  -1.519   3.075
  729   1HG2  VAL  89          HG21      VAL  89  -9.039  -1.025   1.659
  730   2HG2  VAL  89          HG22      VAL  89  -8.917  -2.002   3.123
  731   3HG2  VAL  89          HG23      VAL  89 -10.015  -0.622   3.073
  732    H    THR  90           HN       THR  90  -7.827   2.360   5.444
  733    HA   THR  90           HA       THR  90 -10.444   2.477   6.638
  734    HB   THR  90           HB       THR  90  -8.618   4.783   5.928
  735    HG1  THR  90           HG1      THR  90  -8.816   3.339   8.391
  736   1HG2  THR  90          HG21      THR  90 -10.844   4.541   7.957
  737   2HG2  THR  90          HG22      THR  90 -10.928   5.427   6.435
  738   3HG2  THR  90          HG23      THR  90  -9.828   5.961   7.707
  739    H    CYS  91           HN       CYS  91 -12.133   2.345   5.267
  740    HA   CYS  91           HA       CYS  91 -11.881   3.421   2.576
  741   1HB   CYS  91          HB2       CYS  91 -14.043   1.774   3.886
  742   2HB   CYS  91          HB3       CYS  91 -14.017   2.237   2.185
  743    H    GLU  92           HN       GLU  92 -12.733   5.265   1.918
  744    HA   GLU  92           HA       GLU  92 -15.122   6.297   3.201
  745   1HB   GLU  92          HB2       GLU  92 -13.023   7.228   4.362
  746   2HB   GLU  92          HB3       GLU  92 -12.770   8.122   2.872
  747   1HG   GLU  92          HG2       GLU  92 -14.914   9.209   3.121
  748   2HG   GLU  92          HG3       GLU  92 -15.231   8.277   4.582
  749    H    ASN  93           HN       ASN  93 -16.430   7.288   1.773
  750    HA   ASN  93           HA       ASN  93 -17.320   7.815  -0.249
  751   1HB   ASN  93          HB2       ASN  93 -14.573   9.013  -0.560
  752   2HB   ASN  93          HB3       ASN  93 -15.797   9.143  -1.817
  753   1HD2  ASN  93          HD21      ASN  93 -14.736  10.244   1.252
  754   2HD2  ASN  93          HD22      ASN  93 -15.921  11.489   1.449
  755    H    GLN  94           HN       GLN  94 -16.225   5.220   0.079
  756    HA   GLN  94           HA       GLN  94 -16.118   3.325  -1.149
  757   1HB   GLN  94          HB2       GLN  94 -16.542   5.147  -3.518
  758   2HB   GLN  94          HB3       GLN  94 -16.622   3.391  -3.557
  759   1HG   GLN  94          HG2       GLN  94 -18.497   3.441  -1.999
  760   2HG   GLN  94          HG3       GLN  94 -18.416   5.201  -1.964
  761   1HE2  GLN  94          HE21      GLN  94 -17.807   3.416  -4.869
  762   2HE2  GLN  94          HE22      GLN  94 -19.265   3.862  -5.687
  763    H    ALA  95           HN       ALA  95 -13.775   5.277  -0.758
  764    HA   ALA  95           HA       ALA  95 -11.949   3.761  -2.472
  765   1HB   ALA  95          HB1       ALA  95 -12.337   5.923  -3.548
  766   2HB   ALA  95          HB2       ALA  95 -11.816   6.747  -2.079
  767   3HB   ALA  95          HB3       ALA  95 -10.672   5.763  -2.994
  768    HA   PRO  96           HA       PRO  96  -9.570   3.281   1.310
  769   1HB   PRO  96          HB2       PRO  96  -7.350   2.911  -0.605
  770   2HB   PRO  96          HB3       PRO  96  -7.918   1.841   0.679
  771   1HG   PRO  96          HG2       PRO  96  -8.364   1.310  -1.919
  772   2HG   PRO  96          HG3       PRO  96  -9.521   0.876  -0.654
  773   1HD   PRO  96          HD2       PRO  96  -9.633   3.088  -2.633
  774   2HD   PRO  96          HD3       PRO  96 -10.948   2.129  -1.935
  775    H    VAL  97           HN       VAL  97  -9.070   5.120   2.358
  776    HA   VAL  97           HA       VAL  97  -7.441   7.112   0.931
  777    HB   VAL  97           HB       VAL  97  -8.355   8.774   2.556
  778   1HG1  VAL  97          HG11      VAL  97 -10.366   7.298   0.859
  779   2HG1  VAL  97          HG12      VAL  97 -10.570   8.931   1.491
  780   3HG1  VAL  97          HG13      VAL  97  -9.293   8.590   0.324
  781   1HG2  VAL  97          HG21      VAL  97 -10.349   8.184   3.833
  782   2HG2  VAL  97          HG22      VAL  97 -10.210   6.514   3.285
  783   3HG2  VAL  97          HG23      VAL  97  -8.965   7.206   4.326
  784    H    HIS  98           HN       HIS  98  -7.659   5.147   3.770
  785    HA   HIS  98           HA       HIS  98  -4.999   6.097   4.585
  786   1HB   HIS  98          HB2       HIS  98  -7.391   5.646   6.373
  787   2HB   HIS  98          HB3       HIS  98  -5.750   5.633   6.988
  788    HD1  HIS  98           HD1      HIS  98  -5.218   7.749   8.089
  789    HD2  HIS  98           HD2      HIS  98  -7.770   8.316   4.854
  790    HE1  HIS  98           HE1      HIS  98  -5.711  10.215   8.036
  791    HE2  HIS  98           HE2      HIS  98  -7.428  10.493   6.216
  792    H    PHE  99           HN       PHE  99  -3.676   4.484   5.526
  793    HA   PHE  99           HA       PHE  99  -4.650   1.750   5.039
  794   1HB   PHE  99          HB2       PHE  99  -2.653   2.526   3.721
  795   2HB   PHE  99          HB3       PHE  99  -1.772   2.665   5.239
  796    HD1  PHE  99           HD1      PHE  99  -0.639   0.851   6.101
  797    HD2  PHE  99           HD2      PHE  99  -3.636   0.215   3.148
  798    HE1  PHE  99           HE1      PHE  99   0.009  -1.516   5.959
  799    HE2  PHE  99           HE2      PHE  99  -2.993  -2.156   3.003
  800    HZ   PHE  99           HZ       PHE  99  -1.216  -3.035   4.384
  801    H    VAL 100           HN       VAL 100  -4.980   0.486   6.751
  802    HA   VAL 100           HA       VAL 100  -4.283   1.517   9.375
  803    HB   VAL 100           HB       VAL 100  -5.919  -0.904   8.610
  804   1HG1  VAL 100          HG11      VAL 100  -6.745  -0.776  10.938
  805   2HG1  VAL 100          HG12      VAL 100  -5.032  -1.177  10.822
  806   3HG1  VAL 100          HG13      VAL 100  -5.527   0.457  11.267
  807   1HG2  VAL 100          HG21      VAL 100  -6.998   1.112   7.829
  808   2HG2  VAL 100          HG22      VAL 100  -7.857   0.512   9.246
  809   3HG2  VAL 100          HG23      VAL 100  -6.761   1.885   9.397
  810    H    GLY 101           HN       GLY 101  -4.167  -1.797   8.017
  811   1HA   GLY 101          HA1       GLY 101  -1.395  -2.145   8.268
  812   2HA   GLY 101          HA2       GLY 101  -2.141  -2.711   9.752
  813    H    VAL 102           HN       VAL 102  -0.745  -4.497   8.258
  814    HA   VAL 102           HA       VAL 102  -2.641  -5.840   6.503
  815    HB   VAL 102           HB       VAL 102  -0.937  -7.020   5.577
  816   1HG1  VAL 102          HG11      VAL 102   0.485  -4.588   6.624
  817   2HG1  VAL 102          HG12      VAL 102   0.996  -5.566   5.248
  818   3HG1  VAL 102          HG13      VAL 102  -0.524  -4.672   5.180
  819   1HG2  VAL 102          HG21      VAL 102  -0.165  -8.204   7.519
  820   2HG2  VAL 102          HG22      VAL 102   1.222  -7.550   6.649
  821   3HG2  VAL 102          HG23      VAL 102   0.653  -6.757   8.120
  822    H    GLY 103           HN       GLY 103  -3.067  -8.096   6.664
  823   1HA   GLY 103          HA1       GLY 103  -3.402 -10.085   7.867
  824   2HA   GLY 103          HA2       GLY 103  -2.813  -9.287   9.322
  825    H    SER 104           HN       SER 104  -4.183  -7.909  10.456
  826    HA   SER 104           HA       SER 104  -6.901  -7.458   9.563
  827   1HB   SER 104          HB2       SER 104  -6.261  -8.954  12.126
  828   2HB   SER 104          HB3       SER 104  -7.841  -8.297  11.714
  829    HG   SER 104           HG       SER 104  -6.763  -9.856   9.736
  830    H    CYS 105           HN       CYS 105  -7.923  -5.782  10.913
  831    HA   CYS 105           HA       CYS 105  -5.871  -4.035  11.996
  832   1HB   CYS 105          HB2       CYS 105  -7.913  -2.414  12.081
  833   2HB   CYS 105          HB3       CYS 105  -7.105  -2.779  10.561
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1  -1.445  14.873   2.779
    2   2H    MET   1           H2       MET   1  -3.047  15.110   3.287
    3   3H    MET   1           H3       MET   1  -2.274  16.289   2.353
    4    HA   MET   1           HA       MET   1  -3.888  14.934   1.125
    5   1HB   MET   1          HB2       MET   1  -2.372  14.441  -0.799
    6   2HB   MET   1          HB3       MET   1  -2.212  16.065  -0.149
    7   1HG   MET   1          HG2       MET   1  -0.169  15.490   0.953
    8   2HG   MET   1          HG3       MET   1  -0.368  13.790   0.533
    9   1HE   MET   1          HE1       MET   1   0.226  17.418  -0.911
   10   2HE   MET   1          HE2       MET   1   0.321  17.069  -2.638
   11   3HE   MET   1          HE3       MET   1  -1.195  16.828  -1.771
   12    H    GLN   2           HN       GLN   2  -4.741  13.166   2.125
   13    HA   GLN   2           HA       GLN   2  -3.487  10.673   1.244
   14   1HB   GLN   2          HB2       GLN   2  -4.528  11.271   3.991
   15   2HB   GLN   2          HB3       GLN   2  -4.599   9.633   3.355
   16   1HG   GLN   2          HG2       GLN   2  -2.088  11.276   3.600
   17   2HG   GLN   2          HG3       GLN   2  -2.614  10.050   4.754
   18   1HE2  GLN   2          HE21      GLN   2  -3.668   8.320   2.620
   19   2HE2  GLN   2          HE22      GLN   2  -2.283   7.602   1.877
   20    H    ASP   3           HN       ASP   3  -4.784  10.521  -0.459
   21    HA   ASP   3           HA       ASP   3  -7.620   9.970   0.016
   22   1HB   ASP   3          HB2       ASP   3  -8.281  11.293  -1.911
   23   2HB   ASP   3          HB3       ASP   3  -7.381  12.329  -0.807
   24    H    TRP   4           HN       TRP   4  -8.390   9.335  -2.498
   25    HA   TRP   4           HA       TRP   4  -7.272   6.779  -2.783
   26   1HB   TRP   4          HB2       TRP   4  -9.571   7.247  -3.432
   27   2HB   TRP   4          HB3       TRP   4  -9.015   8.326  -4.710
   28    HD1  TRP   4           HD1      TRP   4  -9.492   7.143  -6.927
   29    HE1  TRP   4           HE1      TRP   4  -9.087   4.787  -7.889
   30    HE3  TRP   4           HE3      TRP   4  -7.660   4.870  -2.730
   31    HZ2  TRP   4           HZ2      TRP   4  -8.111   2.302  -6.974
   32    HZ3  TRP   4           HZ3      TRP   4  -7.028   2.496  -2.850
   33    HH2  TRP   4           HH2      TRP   4  -7.242   1.245  -4.935
   34    H    LEU   5           HN       LEU   5  -6.707   9.769  -4.616
   35    HA   LEU   5           HA       LEU   5  -5.147   8.530  -6.640
   36   1HB   LEU   5          HB2       LEU   5  -5.374  11.388  -5.714
   37   2HB   LEU   5          HB3       LEU   5  -4.339  10.907  -7.042
   38    HG   LEU   5           HG       LEU   5  -6.371  11.795  -7.934
   39   1HD1  LEU   5          HD11      LEU   5  -5.421   9.925  -9.146
   40   2HD1  LEU   5          HD12      LEU   5  -6.359   8.794  -8.169
   41   3HD1  LEU   5          HD13      LEU   5  -7.182   9.907  -9.264
   42   1HD2  LEU   5          HD21      LEU   5  -7.844  11.524  -6.042
   43   2HD2  LEU   5          HD22      LEU   5  -8.565  10.793  -7.477
   44   3HD2  LEU   5          HD23      LEU   5  -7.822   9.772  -6.245
   45    H    THR   6           HN       THR   6  -4.380  10.138  -3.601
   46    HA   THR   6           HA       THR   6  -1.554   9.904  -3.914
   47    HB   THR   6           HB       THR   6  -3.141  10.313  -1.368
   48    HG1  THR   6           HG1      THR   6  -3.662  12.093  -2.475
   49   1HG2  THR   6          HG21      THR   6  -0.274  10.983  -2.054
   50   2HG2  THR   6          HG22      THR   6  -0.801   9.689  -0.980
   51   3HG2  THR   6          HG23      THR   6  -1.091  11.371  -0.541
   52    H    PHE   7           HN       PHE   7  -4.061   7.972  -2.364
   53    HA   PHE   7           HA       PHE   7  -2.469   6.172  -0.937
   54   1HB   PHE   7          HB2       PHE   7  -4.957   6.394  -0.769
   55   2HB   PHE   7          HB3       PHE   7  -5.097   5.576  -2.319
   56    HD1  PHE   7           HD1      PHE   7  -4.654   5.177   1.241
   57    HD2  PHE   7           HD2      PHE   7  -4.366   3.207  -2.523
   58    HE1  PHE   7           HE1      PHE   7  -4.666   2.999   2.387
   59    HE2  PHE   7           HE2      PHE   7  -4.388   1.024  -1.382
   60    HZ   PHE   7           HZ       PHE   7  -4.567   0.934   1.105
   61    H    GLN   8           HN       GLN   8  -3.637   6.077  -4.271
   62    HA   GLN   8           HA       GLN   8  -2.758   3.577  -5.044
   63   1HB   GLN   8          HB2       GLN   8  -3.248   6.151  -6.440
   64   2HB   GLN   8          HB3       GLN   8  -2.410   4.878  -7.303
   65   1HG   GLN   8          HG2       GLN   8  -4.276   3.377  -6.973
   66   2HG   GLN   8          HG3       GLN   8  -5.100   4.591  -5.993
   67   1HE2  GLN   8          HE21      GLN   8  -6.016   6.365  -6.980
   68   2HE2  GLN   8          HE22      GLN   8  -6.301   6.436  -8.683
   69    H    LYS   9           HN       LYS   9  -1.055   6.659  -5.533
   70    HA   LYS   9           HA       LYS   9   1.251   5.710  -6.709
   71   1HB   LYS   9          HB2       LYS   9   1.052   7.980  -4.723
   72   2HB   LYS   9          HB3       LYS   9   2.308   7.766  -5.932
   73   1HG   LYS   9          HG2       LYS   9   0.833   8.244  -7.696
   74   2HG   LYS   9          HG3       LYS   9  -0.585   8.084  -6.655
   75   1HD   LYS   9          HD2       LYS   9   0.037  10.060  -5.432
   76   2HD   LYS   9          HD3       LYS   9   1.548  10.188  -6.336
   77   1HE   LYS   9          HE2       LYS   9  -1.221  10.394  -7.507
   78   2HE   LYS   9          HE3       LYS   9  -0.159  11.755  -7.147
   79   1HZ   LYS   9          HZ1       LYS   9   0.294   9.606  -9.150
   80   2HZ   LYS   9          HZ2       LYS   9   1.470  10.745  -8.705
   81   3HZ   LYS   9          HZ3       LYS   9   0.035  11.257  -9.449
   82    H    LYS  10           HN       LYS  10   0.334   5.743  -3.357
   83    HA   LYS  10           HA       LYS  10   3.062   5.191  -2.487
   84   1HB   LYS  10          HB2       LYS  10   0.607   5.808  -0.843
   85   2HB   LYS  10          HB3       LYS  10   2.258   5.702  -0.241
   86   1HG   LYS  10          HG2       LYS  10   2.918   7.613  -1.527
   87   2HG   LYS  10          HG3       LYS  10   1.356   7.663  -2.336
   88   1HD   LYS  10          HD2       LYS  10   1.247   9.357  -0.729
   89   2HD   LYS  10          HD3       LYS  10   0.357   8.014  -0.013
   90   1HE   LYS  10          HE2       LYS  10   2.149   7.477   1.430
   91   2HE   LYS  10          HE3       LYS  10   3.269   8.515   0.547
   92   1HZ   LYS  10          HZ1       LYS  10   1.884  10.432   1.247
   93   2HZ   LYS  10          HZ2       LYS  10   2.627   9.632   2.542
   94   3HZ   LYS  10          HZ3       LYS  10   0.975   9.388   2.229
   95    H    HIS  11           HN       HIS  11   0.362   3.331  -3.266
   96    HA   HIS  11           HA       HIS  11   1.432   1.151  -1.631
   97   1HB   HIS  11          HB2       HIS  11  -1.436   2.059  -1.563
   98   2HB   HIS  11          HB3       HIS  11  -0.929   0.462  -1.026
   99    HD1  HIS  11           HD1      HIS  11   0.979   0.532   0.954
  100    HD2  HIS  11           HD2      HIS  11  -1.326   3.950   0.365
  101    HE1  HIS  11           HE1      HIS  11   1.206   1.880   3.065
  102    HE2  HIS  11           HE2      HIS  11  -0.259   3.906   2.724
  103    H    ILE  12           HN       ILE  12   0.090   2.139  -4.599
  104    HA   ILE  12           HA       ILE  12  -0.595  -0.631  -5.287
  105    HB   ILE  12           HB       ILE  12  -1.099   1.900  -6.865
  106   1HG1  ILE  12          HG12      ILE  12  -2.455   1.819  -4.839
  107   2HG1  ILE  12          HG13      ILE  12  -3.460   1.571  -6.258
  108   1HG2  ILE  12          HG21      ILE  12  -2.550   0.498  -8.258
  109   2HG2  ILE  12          HG22      ILE  12  -0.865  -0.022  -8.323
  110   3HG2  ILE  12          HG23      ILE  12  -2.032  -0.922  -7.351
  111   1HD1  ILE  12          HD11      ILE  12  -2.503  -0.547  -4.345
  112   2HD1  ILE  12          HD12      ILE  12  -4.142   0.093  -4.487
  113   3HD1  ILE  12          HD13      ILE  12  -3.444  -0.848  -5.807
  114    H    THR  13           HN       THR  13   0.868  -1.836  -6.306
  115    HA   THR  13           HA       THR  13   2.779  -0.460  -8.057
  116    HB   THR  13           HB       THR  13   3.838  -1.161  -5.876
  117    HG1  THR  13           HG1      THR  13   5.187  -0.842  -7.595
  118   1HG2  THR  13          HG21      THR  13   3.392  -3.935  -6.994
  119   2HG2  THR  13          HG22      THR  13   2.716  -3.282  -5.501
  120   3HG2  THR  13          HG23      THR  13   4.459  -3.545  -5.641
  121    H    ASN  14           HN       ASN  14   3.754  -1.911  -9.692
  122    HA   ASN  14           HA       ASN  14   1.691  -3.776 -10.669
  123   1HB   ASN  14          HB2       ASN  14   2.452  -3.218 -12.932
  124   2HB   ASN  14          HB3       ASN  14   1.980  -1.763 -12.062
  125   1HD2  ASN  14          HD21      ASN  14   3.737  -2.086 -14.361
  126   2HD2  ASN  14          HD22      ASN  14   5.268  -1.407 -13.897
  127    H    THR  15           HN       THR  15   4.491  -3.890  -9.137
  128    HA   THR  15           HA       THR  15   5.327  -6.357 -10.466
  129    HB   THR  15           HB       THR  15   6.821  -4.741 -11.419
  130    HG1  THR  15           HG1      THR  15   8.851  -5.377 -10.123
  131   1HG2  THR  15          HG21      THR  15   8.230  -3.265 -10.033
  132   2HG2  THR  15          HG22      THR  15   7.346  -3.797  -8.603
  133   3HG2  THR  15          HG23      THR  15   6.511  -2.904  -9.873
  134    H    ARG  16           HN       ARG  16   5.988  -7.935  -9.074
  135    HA   ARG  16           HA       ARG  16   5.552  -7.689  -6.297
  136   1HB   ARG  16          HB2       ARG  16   7.158  -9.729  -7.849
  137   2HB   ARG  16          HB3       ARG  16   6.768  -9.870  -6.141
  138   1HG   ARG  16          HG2       ARG  16   4.715  -9.684  -8.334
  139   2HG   ARG  16          HG3       ARG  16   5.296 -11.195  -7.630
  140   1HD   ARG  16          HD2       ARG  16   4.094  -8.987  -5.984
  141   2HD   ARG  16          HD3       ARG  16   3.126 -10.274  -6.699
  142    HE   ARG  16           HE       ARG  16   4.638 -11.821  -5.375
  143   1HH1  ARG  16          HH12      ARG  16   3.996  -8.534  -4.348
  144   2HH1  ARG  16          HH11      ARG  16   4.131  -8.893  -2.659
  145   1HH2  ARG  16          HH22      ARG  16   4.779 -12.313  -3.134
  146   2HH2  ARG  16          HH21      ARG  16   4.544 -11.041  -1.972
  147    H    ASP  17           HN       ASP  17   8.357  -7.263  -8.323
  148    HA   ASP  17           HA       ASP  17  10.008  -6.642  -5.982
  149   1HB   ASP  17          HB2       ASP  17  10.869  -8.184  -7.792
  150   2HB   ASP  17          HB3       ASP  17  10.872  -6.797  -8.875
  151    H    VAL  18           HN       VAL  18   8.998  -4.655  -5.480
  152    HA   VAL  18           HA       VAL  18   9.006  -2.547  -7.455
  153    HB   VAL  18           HB       VAL  18   7.110  -2.446  -6.055
  154   1HG1  VAL  18          HG11      VAL  18   7.697  -3.823  -4.204
  155   2HG1  VAL  18          HG12      VAL  18   8.983  -2.713  -3.708
  156   3HG1  VAL  18          HG13      VAL  18   7.293  -2.230  -3.553
  157   1HG2  VAL  18          HG21      VAL  18   8.001  -0.257  -6.478
  158   2HG2  VAL  18          HG22      VAL  18   7.352  -0.297  -4.839
  159   3HG2  VAL  18          HG23      VAL  18   9.096  -0.390  -5.101
  160    H    ASP  19           HN       ASP  19  10.358  -0.780  -7.503
  161    HA   ASP  19           HA       ASP  19  12.938  -1.123  -6.365
  162   1HB   ASP  19          HB2       ASP  19  11.840   1.273  -7.836
  163   2HB   ASP  19          HB3       ASP  19  13.519   0.838  -7.624
  164    H    CYS  20           HN       CYS  20  12.205  -1.074  -4.118
  165    HA   CYS  20           HA       CYS  20  10.944   0.995  -2.823
  166   1HB   CYS  20          HB2       CYS  20  13.231  -0.539  -1.604
  167   2HB   CYS  20          HB3       CYS  20  11.797   0.111  -0.805
  168    H    ASP  21           HN       ASP  21  14.477   0.645  -3.315
  169    HA   ASP  21           HA       ASP  21  15.062   2.943  -1.727
  170   1HB   ASP  21          HB2       ASP  21  17.334   2.560  -2.206
  171   2HB   ASP  21          HB3       ASP  21  16.599   0.962  -2.166
  172    H    ASN  22           HN       ASN  22  13.831   2.725  -4.802
  173    HA   ASN  22           HA       ASN  22  14.939   5.339  -5.572
  174   1HB   ASN  22          HB2       ASN  22  15.109   3.507  -7.251
  175   2HB   ASN  22          HB3       ASN  22  13.356   3.378  -7.248
  176   1HD2  ASN  22          HD21      ASN  22  13.034   3.924  -9.348
  177   2HD2  ASN  22          HD22      ASN  22  13.380   5.496  -9.989
  178    H    ILE  23           HN       ILE  23  11.902   3.537  -5.542
  179    HA   ILE  23           HA       ILE  23  10.238   5.751  -6.016
  180    HB   ILE  23           HB       ILE  23   9.634   3.063  -4.781
  181   1HG1  ILE  23          HG12      ILE  23   9.284   4.174  -7.574
  182   2HG1  ILE  23          HG13      ILE  23  10.442   2.948  -7.072
  183   1HG2  ILE  23          HG21      ILE  23   7.943   4.696  -4.103
  184   2HG2  ILE  23          HG22      ILE  23   7.679   5.123  -5.794
  185   3HG2  ILE  23          HG23      ILE  23   7.287   3.499  -5.223
  186   1HD1  ILE  23          HD11      ILE  23   8.631   1.409  -6.593
  187   2HD1  ILE  23          HD12      ILE  23   7.448   2.639  -7.038
  188   3HD1  ILE  23          HD13      ILE  23   8.543   1.985  -8.256
  189    H    LEU  24           HN       LEU  24  11.344   4.246  -2.983
  190    HA   LEU  24           HA       LEU  24   9.645   5.900  -1.361
  191   1HB   LEU  24          HB2       LEU  24  12.099   4.417  -0.432
  192   2HB   LEU  24          HB3       LEU  24  10.761   4.974   0.548
  193    HG   LEU  24           HG       LEU  24  10.750   2.691  -1.422
  194   1HD1  LEU  24          HD11      LEU  24  11.768   2.193   0.727
  195   2HD1  LEU  24          HD12      LEU  24  10.338   2.804   1.560
  196   3HD1  LEU  24          HD13      LEU  24  10.224   1.357   0.556
  197   1HD2  LEU  24          HD21      LEU  24   8.631   3.840  -1.595
  198   2HD2  LEU  24          HD22      LEU  24   8.441   2.308  -0.735
  199   3HD2  LEU  24          HD23      LEU  24   8.459   3.828   0.162
  200    H    SER  25           HN       SER  25  12.525   6.436  -3.011
  201    HA   SER  25           HA       SER  25  13.733   8.221  -1.105
  202   1HB   SER  25          HB2       SER  25  15.022   6.871  -2.795
  203   2HB   SER  25          HB3       SER  25  14.375   7.927  -4.050
  204    HG   SER  25           HG       SER  25  15.999   8.681  -1.846
  205    H    THR  26           HN       THR  26  11.251   8.469  -3.411
  206    HA   THR  26           HA       THR  26  11.629  11.235  -4.069
  207    HB   THR  26           HB       THR  26   9.397  11.093  -5.111
  208    HG1  THR  26           HG1      THR  26   9.364   8.351  -4.300
  209   1HG2  THR  26          HG21      THR  26   9.947   9.388  -6.803
  210   2HG2  THR  26          HG22      THR  26  11.223   8.775  -5.752
  211   3HG2  THR  26          HG23      THR  26  11.328  10.410  -6.407
  212    H    ASN  27           HN       ASN  27   9.941  12.870  -3.611
  213    HA   ASN  27           HA       ASN  27   9.594  13.307  -0.870
  214   1HB   ASN  27          HB2       ASN  27   9.627  15.067  -2.622
  215   2HB   ASN  27          HB3       ASN  27   8.035  14.540  -3.153
  216   1HD2  ASN  27          HD21      ASN  27   7.000  16.423  -2.724
  217   2HD2  ASN  27          HD22      ASN  27   6.751  17.039  -1.122
  218    H    LEU  28           HN       LEU  28   7.848  11.289  -2.907
  219    HA   LEU  28           HA       LEU  28   5.246  11.501  -1.792
  220   1HB   LEU  28          HB2       LEU  28   5.846  10.494  -4.016
  221   2HB   LEU  28          HB3       LEU  28   6.496   9.116  -3.154
  222    HG   LEU  28           HG       LEU  28   4.213   8.753  -2.171
  223   1HD1  LEU  28          HD11      LEU  28   3.421  10.785  -4.253
  224   2HD1  LEU  28          HD12      LEU  28   2.316   9.798  -3.296
  225   3HD1  LEU  28          HD13      LEU  28   3.332  11.003  -2.504
  226   1HD2  LEU  28          HD21      LEU  28   3.318   7.724  -4.193
  227   2HD2  LEU  28          HD22      LEU  28   4.456   8.650  -5.175
  228   3HD2  LEU  28          HD23      LEU  28   5.052   7.435  -4.041
  229    H    PHE  29           HN       PHE  29   8.161   9.912  -0.842
  230    HA   PHE  29           HA       PHE  29   6.762   8.762   1.485
  231   1HB   PHE  29          HB2       PHE  29   9.123   7.527   0.044
  232   2HB   PHE  29          HB3       PHE  29   8.333   6.883   1.480
  233    HD1  PHE  29           HD1      PHE  29   8.149   7.291  -2.125
  234    HD2  PHE  29           HD2      PHE  29   6.124   5.861   1.328
  235    HE1  PHE  29           HE1      PHE  29   6.618   6.015  -3.557
  236    HE2  PHE  29           HE2      PHE  29   4.589   4.579  -0.102
  237    HZ   PHE  29           HZ       PHE  29   4.839   4.652  -2.548
  238    H    HIS  30           HN       HIS  30   9.728  10.071   0.136
  239    HA   HIS  30           HA       HIS  30  11.383  11.347   0.980
  240   1HB   HIS  30          HB2       HIS  30   9.322  12.463   2.101
  241   2HB   HIS  30          HB3       HIS  30   9.887  11.667   3.569
  242    HD1  HIS  30           HD1      HIS  30  11.124  13.314   4.947
  243    HD2  HIS  30           HD2      HIS  30  11.835  13.824   0.883
  244    HE1  HIS  30           HE1      HIS  30  12.807  15.177   4.783
  245    HE2  HIS  30           HE2      HIS  30  13.439  15.237   2.342
  246    H    CYS  31           HN       CYS  31  11.482   8.578   1.227
  247    HA   CYS  31           HA       CYS  31  12.637   6.891   2.163
  248   1HB   CYS  31          HB2       CYS  31  14.284   9.070   3.458
  249   2HB   CYS  31          HB3       CYS  31  14.768   7.402   3.197
  250    H    LYS  32           HN       LYS  32  10.531   6.678   3.344
  251    HA   LYS  32           HA       LYS  32  10.531   7.191   6.164
  252   1HB   LYS  32          HB2       LYS  32   8.426   5.991   6.182
  253   2HB   LYS  32          HB3       LYS  32   8.456   7.098   4.819
  254   1HG   LYS  32          HG2       LYS  32   9.233   5.037   3.463
  255   2HG   LYS  32          HG3       LYS  32   8.607   4.117   4.830
  256   1HD   LYS  32          HD2       LYS  32   7.062   6.116   3.185
  257   2HD   LYS  32          HD3       LYS  32   6.935   4.362   3.062
  258   1HE   LYS  32          HE2       LYS  32   6.128   4.244   5.353
  259   2HE   LYS  32          HE3       LYS  32   6.306   5.991   5.519
  260   1HZ   LYS  32          HZ1       LYS  32   4.484   4.616   3.616
  261   2HZ   LYS  32          HZ2       LYS  32   4.652   6.294   3.788
  262   3HZ   LYS  32          HZ3       LYS  32   4.017   5.371   5.064
  263    H    ASP  33           HN       ASP  33   9.920   5.133   7.578
  264    HA   ASP  33           HA       ASP  33  12.260   3.542   7.704
  265   1HB   ASP  33          HB2       ASP  33   9.594   3.323   9.100
  266   2HB   ASP  33          HB3       ASP  33  10.929   2.221   9.419
  267    H    LYS  34           HN       LYS  34   8.910   2.716   6.866
  268    HA   LYS  34           HA       LYS  34   9.869   0.748   4.988
  269   1HB   LYS  34          HB2       LYS  34   8.307  -1.016   5.986
  270   2HB   LYS  34          HB3       LYS  34   9.837  -0.739   6.799
  271   1HG   LYS  34          HG2       LYS  34   8.176  -0.981   8.468
  272   2HG   LYS  34          HG3       LYS  34   8.621   0.723   8.419
  273   1HD   LYS  34          HD2       LYS  34   6.624   1.179   7.050
  274   2HD   LYS  34          HD3       LYS  34   6.174  -0.524   7.170
  275   1HE   LYS  34          HE2       LYS  34   5.891  -0.350   9.536
  276   2HE   LYS  34          HE3       LYS  34   6.558   1.282   9.548
  277   1HZ   LYS  34          HZ1       LYS  34   4.038   0.478   8.195
  278   2HZ   LYS  34          HZ2       LYS  34   4.668   2.045   8.288
  279   3HZ   LYS  34          HZ3       LYS  34   4.137   1.268   9.695
  280    H    ASN  35           HN       ASN  35   8.114  -0.109   3.641
  281    HA   ASN  35           HA       ASN  35   5.557   1.241   3.855
  282   1HB   ASN  35          HB2       ASN  35   7.105   2.764   2.517
  283   2HB   ASN  35          HB3       ASN  35   7.081   1.522   1.273
  284   1HD2  ASN  35          HD21      ASN  35   5.296   1.281   0.006
  285   2HD2  ASN  35          HD22      ASN  35   3.936   2.352   0.051
  286    H    THR  36           HN       THR  36   4.048  -0.217   3.443
  287    HA   THR  36           HA       THR  36   4.726  -2.665   2.040
  288    HB   THR  36           HB       THR  36   2.090  -1.902   3.305
  289    HG1  THR  36           HG1      THR  36   4.157  -3.462   4.499
  290   1HG2  THR  36          HG21      THR  36   2.006  -3.819   1.761
  291   2HG2  THR  36          HG22      THR  36   1.729  -4.314   3.430
  292   3HG2  THR  36          HG23      THR  36   3.296  -4.603   2.675
  293    H    PHE  37           HN       PHE  37   4.494  -2.788  -0.091
  294    HA   PHE  37           HA       PHE  37   2.455  -1.154  -1.424
  295   1HB   PHE  37          HB2       PHE  37   4.727  -2.790  -2.561
  296   2HB   PHE  37          HB3       PHE  37   3.568  -1.887  -3.526
  297    HD1  PHE  37           HD1      PHE  37   6.403  -1.650  -1.236
  298    HD2  PHE  37           HD2      PHE  37   3.695   0.521  -3.708
  299    HE1  PHE  37           HE1      PHE  37   7.863   0.323  -1.104
  300    HE2  PHE  37           HE2      PHE  37   5.163   2.488  -3.583
  301    HZ   PHE  37           HZ       PHE  37   7.250   2.378  -2.288
  302    H    ILE  38           HN       ILE  38   1.100  -2.115  -3.025
  303    HA   ILE  38           HA       ILE  38   0.404  -4.916  -2.423
  304    HB   ILE  38           HB       ILE  38  -1.429  -2.726  -3.427
  305   1HG1  ILE  38          HG12      ILE  38  -1.403  -3.896  -0.644
  306   2HG1  ILE  38          HG13      ILE  38  -0.527  -2.427  -1.060
  307   1HG2  ILE  38          HG21      ILE  38  -2.125  -4.967  -4.075
  308   2HG2  ILE  38          HG22      ILE  38  -2.017  -5.503  -2.399
  309   3HG2  ILE  38          HG23      ILE  38  -3.224  -4.302  -2.865
  310   1HD1  ILE  38          HD11      ILE  38  -2.660  -1.912  -0.041
  311   2HD1  ILE  38          HD12      ILE  38  -2.625  -1.369  -1.720
  312   3HD1  ILE  38          HD13      ILE  38  -3.497  -2.842  -1.285
  313    H    TYR  39           HN       TYR  39   0.983  -6.201  -4.059
  314    HA   TYR  39           HA       TYR  39   1.159  -5.229  -6.768
  315   1HB   TYR  39          HB2       TYR  39   2.734  -6.945  -6.115
  316   2HB   TYR  39          HB3       TYR  39   1.429  -8.012  -5.613
  317    HD1  TYR  39           HD1      TYR  39   2.693  -6.218  -8.633
  318    HD2  TYR  39           HD2      TYR  39   0.658  -9.623  -7.093
  319    HE1  TYR  39           HE1      TYR  39   2.659  -7.205 -10.883
  320    HE2  TYR  39           HE2      TYR  39   0.619 -10.619  -9.341
  321    HH   TYR  39           HH       TYR  39   0.714  -9.776 -11.743
  322    H    SER  40           HN       SER  40  -0.769  -4.612  -7.476
  323    HA   SER  40           HA       SER  40  -2.684  -6.452  -8.356
  324   1HB   SER  40          HB2       SER  40  -3.144  -6.539  -5.849
  325   2HB   SER  40          HB3       SER  40  -3.616  -4.848  -5.949
  326    HG   SER  40           HG       SER  40  -4.822  -6.565  -7.775
  327    H    ARG  41           HN       ARG  41  -4.887  -4.959  -8.673
  328    HA   ARG  41           HA       ARG  41  -3.929  -2.459  -9.884
  329   1HB   ARG  41          HB2       ARG  41  -6.543  -3.866 -10.247
  330   2HB   ARG  41          HB3       ARG  41  -6.064  -2.416 -11.063
  331   1HG   ARG  41          HG2       ARG  41  -4.621  -5.020 -11.298
  332   2HG   ARG  41          HG3       ARG  41  -5.892  -4.491 -12.400
  333   1HD   ARG  41          HD2       ARG  41  -3.868  -3.902 -13.381
  334   2HD   ARG  41          HD3       ARG  41  -4.549  -2.421 -12.765
  335    HE   ARG  41           HE       ARG  41  -2.823  -3.492 -10.833
  336   1HH1  ARG  41          HH12      ARG  41  -2.637  -2.132 -14.049
  337   2HH1  ARG  41          HH11      ARG  41  -1.108  -1.345 -13.766
  338   1HH2  ARG  41          HH22      ARG  41  -0.800  -2.481 -10.466
  339   2HH2  ARG  41          HH21      ARG  41  -0.065  -1.558 -11.742
  340    HA   PRO  42           HA       PRO  42  -5.875   0.120  -6.994
  341   1HB   PRO  42          HB2       PRO  42  -7.139   1.774  -8.989
  342   2HB   PRO  42          HB3       PRO  42  -5.691   2.110  -8.051
  343   1HG   PRO  42          HG2       PRO  42  -5.743   1.628 -10.760
  344   2HG   PRO  42          HG3       PRO  42  -4.319   1.446  -9.734
  345   1HD   PRO  42          HD2       PRO  42  -6.112  -0.627 -10.849
  346   2HD   PRO  42          HD3       PRO  42  -4.404  -0.740 -10.463
  347    H    GLU  43           HN       GLU  43  -7.810  -0.937  -9.699
  348    HA   GLU  43           HA       GLU  43 -10.240   0.050  -8.700
  349   1HB   GLU  43          HB2       GLU  43  -9.567  -1.961 -10.820
  350   2HB   GLU  43          HB3       GLU  43 -11.223  -1.543 -10.430
  351   1HG   GLU  43          HG2       GLU  43  -9.080   0.328 -11.402
  352   2HG   GLU  43          HG3       GLU  43 -10.465  -0.254 -12.322
  353    HA   PRO  44           HA       PRO  44 -11.064  -4.569  -7.237
  354   1HB   PRO  44          HB2       PRO  44  -8.750  -5.954  -6.708
  355   2HB   PRO  44          HB3       PRO  44  -9.699  -6.128  -8.186
  356   1HG   PRO  44          HG2       PRO  44  -7.239  -4.503  -7.687
  357   2HG   PRO  44          HG3       PRO  44  -7.661  -5.497  -9.095
  358   1HD   PRO  44          HD2       PRO  44  -7.922  -2.829  -9.153
  359   2HD   PRO  44          HD3       PRO  44  -9.086  -3.883  -9.954
  360    H    VAL  45           HN       VAL  45  -8.395  -2.552  -6.198
  361    HA   VAL  45           HA       VAL  45  -8.689  -3.372  -3.419
  362    HB   VAL  45           HB       VAL  45  -6.924  -1.263  -4.691
  363   1HG1  VAL  45          HG11      VAL  45  -7.515  -0.623  -2.403
  364   2HG1  VAL  45          HG12      VAL  45  -6.983  -2.203  -1.826
  365   3HG1  VAL  45          HG13      VAL  45  -5.814  -1.082  -2.526
  366   1HG2  VAL  45          HG21      VAL  45  -5.109  -2.814  -4.140
  367   2HG2  VAL  45          HG22      VAL  45  -6.291  -3.970  -3.524
  368   3HG2  VAL  45          HG23      VAL  45  -6.282  -3.543  -5.236
  369    H    LYS  46           HN       LYS  46  -9.488  -0.705  -5.526
  370    HA   LYS  46           HA       LYS  46 -10.695   0.986  -3.603
  371   1HB   LYS  46          HB2       LYS  46 -10.015   1.565  -5.969
  372   2HB   LYS  46          HB3       LYS  46 -11.419   0.669  -6.519
  373   1HG   LYS  46          HG2       LYS  46 -12.876   2.225  -5.308
  374   2HG   LYS  46          HG3       LYS  46 -11.449   3.136  -4.794
  375   1HD   LYS  46          HD2       LYS  46 -10.858   3.488  -7.155
  376   2HD   LYS  46          HD3       LYS  46 -12.331   2.649  -7.637
  377   1HE   LYS  46          HE2       LYS  46 -13.646   4.367  -6.439
  378   2HE   LYS  46          HE3       LYS  46 -12.145   5.219  -6.077
  379   1HZ   LYS  46          HZ1       LYS  46 -13.326   6.088  -8.050
  380   2HZ   LYS  46          HZ2       LYS  46 -13.080   4.595  -8.825
  381   3HZ   LYS  46          HZ3       LYS  46 -11.753   5.556  -8.394
  382    H    ALA  47           HN       ALA  47 -11.685  -1.840  -5.363
  383    HA   ALA  47           HA       ALA  47 -14.477  -1.687  -4.855
  384   1HB   ALA  47          HB1       ALA  47 -14.568  -3.980  -5.624
  385   2HB   ALA  47          HB2       ALA  47 -13.519  -3.035  -6.678
  386   3HB   ALA  47          HB3       ALA  47 -12.817  -4.127  -5.483
  387    H    ILE  48           HN       ILE  48 -11.802  -2.541  -2.897
  388    HA   ILE  48           HA       ILE  48 -13.162  -4.187  -1.019
  389    HB   ILE  48           HB       ILE  48 -10.810  -2.349  -0.498
  390   1HG1  ILE  48          HG12      ILE  48 -10.807  -5.272  -1.295
  391   2HG1  ILE  48          HG13      ILE  48 -10.445  -3.944  -2.388
  392   1HG2  ILE  48          HG21      ILE  48 -11.802  -4.799   0.960
  393   2HG2  ILE  48          HG22      ILE  48 -10.317  -3.920   1.328
  394   3HG2  ILE  48          HG23      ILE  48 -11.882  -3.133   1.534
  395   1HD1  ILE  48          HD11      ILE  48  -8.423  -5.017  -1.589
  396   2HD1  ILE  48          HD12      ILE  48  -8.517  -3.346  -1.034
  397   3HD1  ILE  48          HD13      ILE  48  -8.884  -4.665   0.076
  398    H    CYS  49           HN       CYS  49 -12.801  -0.746  -1.521
  399    HA   CYS  49           HA       CYS  49 -14.320  -0.159   0.910
  400   1HB   CYS  49          HB2       CYS  49 -12.869   1.657  -1.031
  401   2HB   CYS  49          HB3       CYS  49 -13.682   2.187   0.438
  402    H    LYS  50           HN       LYS  50 -15.101  -1.103  -2.013
  403    HA   LYS  50           HA       LYS  50 -16.861   0.821  -3.053
  404   1HB   LYS  50          HB2       LYS  50 -16.067  -1.141  -4.319
  405   2HB   LYS  50          HB3       LYS  50 -17.005  -2.191  -3.270
  406   1HG   LYS  50          HG2       LYS  50 -19.066  -1.127  -4.063
  407   2HG   LYS  50          HG3       LYS  50 -18.111  -0.103  -5.138
  408   1HD   LYS  50          HD2       LYS  50 -19.035  -2.004  -6.352
  409   2HD   LYS  50          HD3       LYS  50 -17.274  -2.102  -6.291
  410   1HE   LYS  50          HE2       LYS  50 -17.434  -3.692  -4.436
  411   2HE   LYS  50          HE3       LYS  50 -19.191  -3.590  -4.499
  412   1HZ   LYS  50          HZ1       LYS  50 -17.435  -4.599  -6.674
  413   2HZ   LYS  50          HZ2       LYS  50 -19.121  -4.487  -6.747
  414   3HZ   LYS  50          HZ3       LYS  50 -18.389  -5.550  -5.644
  415    H    GLY  51           HN       GLY  51 -18.635   1.612  -2.212
  416   1HA   GLY  51          HA1       GLY  51 -20.833   1.460  -1.402
  417   2HA   GLY  51          HA2       GLY  51 -20.472  -0.142  -0.780
  418    H    ILE  52           HN       ILE  52 -17.917   1.696   0.120
  419    HA   ILE  52           HA       ILE  52 -19.106   2.159   2.771
  420    HB   ILE  52           HB       ILE  52 -16.159   2.119   2.140
  421   1HG1  ILE  52          HG12      ILE  52 -17.062  -0.038   1.437
  422   2HG1  ILE  52          HG13      ILE  52 -16.129  -0.224   2.915
  423   1HG2  ILE  52          HG21      ILE  52 -17.695   1.692   4.699
  424   2HG2  ILE  52          HG22      ILE  52 -15.940   1.645   4.528
  425   3HG2  ILE  52          HG23      ILE  52 -16.816   3.152   4.247
  426   1HD1  ILE  52          HD11      ILE  52 -18.222  -0.260   4.204
  427   2HD1  ILE  52          HD12      ILE  52 -19.126  -0.142   2.693
  428   3HD1  ILE  52          HD13      ILE  52 -18.128  -1.562   3.016
  429    H    ILE  53           HN       ILE  53 -19.980   4.206   2.485
  430    HA   ILE  53           HA       ILE  53 -18.377   6.345   1.395
  431    HB   ILE  53           HB       ILE  53 -21.167   6.234   2.529
  432   1HG1  ILE  53          HG12      ILE  53 -21.790   6.910   0.248
  433   2HG1  ILE  53          HG13      ILE  53 -20.102   6.909  -0.226
  434   1HG2  ILE  53          HG21      ILE  53 -19.703   8.687   1.557
  435   2HG2  ILE  53          HG22      ILE  53 -21.419   8.602   1.960
  436   3HG2  ILE  53          HG23      ILE  53 -20.205   8.361   3.217
  437   1HD1  ILE  53          HD11      ILE  53 -21.733   4.526   0.617
  438   2HD1  ILE  53          HD12      ILE  53 -21.212   4.925  -1.022
  439   3HD1  ILE  53          HD13      ILE  53 -20.015   4.497   0.204
  440    H    ALA  54           HN       ALA  54 -19.801   5.527   4.545
  441    HA   ALA  54           HA       ALA  54 -18.590   7.702   5.919
  442   1HB   ALA  54          HB1       ALA  54 -19.325   6.591   7.951
  443   2HB   ALA  54          HB2       ALA  54 -20.612   6.590   6.746
  444   3HB   ALA  54          HB3       ALA  54 -19.679   5.123   7.039
  445    H    SER  55           HN       SER  55 -16.698   7.845   6.950
  446    HA   SER  55           HA       SER  55 -14.487   6.423   6.141
  447   1HB   SER  55          HB2       SER  55 -14.595   7.702   8.845
  448   2HB   SER  55          HB3       SER  55 -13.320   7.767   7.628
  449    HG   SER  55           HG       SER  55 -14.229   9.451   6.777
  450    H    LYS  56           HN       LYS  56 -14.223   4.274   6.404
  451    HA   LYS  56           HA       LYS  56 -14.584   3.139   9.091
  452   1HB   LYS  56          HB2       LYS  56 -16.642   2.715   7.833
  453   2HB   LYS  56          HB3       LYS  56 -15.714   1.993   6.529
  454   1HG   LYS  56          HG2       LYS  56 -14.971   0.232   8.128
  455   2HG   LYS  56          HG3       LYS  56 -16.079   0.922   9.316
  456   1HD   LYS  56          HD2       LYS  56 -17.956   0.535   7.808
  457   2HD   LYS  56          HD3       LYS  56 -16.860  -0.122   6.594
  458   1HE   LYS  56          HE2       LYS  56 -17.918  -1.948   7.730
  459   2HE   LYS  56          HE3       LYS  56 -16.223  -1.900   8.213
  460   1HZ   LYS  56          HZ1       LYS  56 -17.697  -2.282  10.097
  461   2HZ   LYS  56          HZ2       LYS  56 -18.491  -0.814   9.794
  462   3HZ   LYS  56          HZ3       LYS  56 -16.863  -0.813  10.265
  463    H    ASN  57           HN       ASN  57 -12.827   2.049   9.682
  464    HA   ASN  57           HA       ASN  57 -10.813   1.189   7.831
  465   1HB   ASN  57          HB2       ASN  57 -11.251   0.541  10.757
  466   2HB   ASN  57          HB3       ASN  57  -9.855   0.005   9.832
  467   1HD2  ASN  57          HD21      ASN  57 -10.056   1.690  12.199
  468   2HD2  ASN  57          HD22      ASN  57  -9.243   3.159  11.797
  469    H    VAL  58           HN       VAL  58 -11.162  -0.498   6.481
  470    HA   VAL  58           HA       VAL  58 -12.746  -2.740   7.555
  471    HB   VAL  58           HB       VAL  58 -13.528  -3.277   5.388
  472   1HG1  VAL  58          HG11      VAL  58 -14.736  -1.467   6.433
  473   2HG1  VAL  58          HG12      VAL  58 -13.636  -0.291   5.712
  474   3HG1  VAL  58          HG13      VAL  58 -14.699  -1.250   4.683
  475   1HG2  VAL  58          HG21      VAL  58 -12.853  -2.109   3.352
  476   2HG2  VAL  58          HG22      VAL  58 -11.664  -1.195   4.281
  477   3HG2  VAL  58          HG23      VAL  58 -11.500  -2.944   4.114
  478    H    LEU  59           HN       LEU  59 -11.906  -4.721   7.564
  479    HA   LEU  59           HA       LEU  59  -9.170  -5.072   6.621
  480   1HB   LEU  59          HB2       LEU  59  -9.873  -5.620   8.981
  481   2HB   LEU  59          HB3       LEU  59 -10.859  -6.897   8.322
  482    HG   LEU  59           HG       LEU  59  -8.528  -7.435   9.313
  483   1HD1  LEU  59          HD11      LEU  59  -9.930  -9.083   8.261
  484   2HD1  LEU  59          HD12      LEU  59  -9.406  -8.542   6.665
  485   3HD1  LEU  59          HD13      LEU  59  -8.252  -9.297   7.763
  486   1HD2  LEU  59          HD21      LEU  59  -7.763  -6.573   6.539
  487   2HD2  LEU  59          HD22      LEU  59  -7.312  -5.761   8.041
  488   3HD2  LEU  59          HD23      LEU  59  -6.720  -7.387   7.707
  489    H    THR  60           HN       THR  60  -8.662  -6.509   5.016
  490    HA   THR  60           HA       THR  60 -10.761  -6.946   3.148
  491    HB   THR  60           HB       THR  60  -8.996  -8.022   1.744
  492    HG1  THR  60           HG1      THR  60  -7.317  -8.739   2.797
  493   1HG2  THR  60          HG21      THR  60  -8.273  -5.340   2.923
  494   2HG2  THR  60          HG22      THR  60  -9.444  -5.616   1.632
  495   3HG2  THR  60          HG23      THR  60  -7.735  -5.967   1.364
  496    H    THR  61           HN       THR  61 -11.454  -8.861   2.213
  497    HA   THR  61           HA       THR  61 -11.856 -10.992   4.085
  498    HB   THR  61           HB       THR  61 -13.138 -11.960   2.091
  499    HG1  THR  61           HG1      THR  61 -13.540 -10.364   0.433
  500   1HG2  THR  61          HG21      THR  61 -14.255 -10.752   3.890
  501   2HG2  THR  61          HG22      THR  61 -14.962 -10.300   2.339
  502   3HG2  THR  61          HG23      THR  61 -13.830  -9.210   3.143
  503    H    SER  62           HN       SER  62  -9.697 -10.317   1.532
  504    HA   SER  62           HA       SER  62  -8.779 -13.110   1.450
  505   1HB   SER  62          HB2       SER  62  -8.709 -11.188  -0.886
  506   2HB   SER  62          HB3       SER  62  -8.368 -12.917  -0.907
  507    HG   SER  62           HG       SER  62 -10.741 -12.877   0.010
  508    H    GLU  63           HN       GLU  63  -6.475 -13.340   0.922
  509    HA   GLU  63           HA       GLU  63  -4.883 -11.128   1.918
  510   1HB   GLU  63          HB2       GLU  63  -3.841 -13.762   0.870
  511   2HB   GLU  63          HB3       GLU  63  -3.011 -12.613   1.890
  512   1HG   GLU  63          HG2       GLU  63  -3.615 -14.447   3.242
  513   2HG   GLU  63          HG3       GLU  63  -4.659 -13.103   3.688
  514    H    PHE  64           HN       PHE  64  -3.389  -9.993   0.714
  515    HA   PHE  64           HA       PHE  64  -3.581 -10.354  -2.205
  516   1HB   PHE  64          HB2       PHE  64  -3.262  -7.844  -0.567
  517   2HB   PHE  64          HB3       PHE  64  -2.985  -7.889  -2.303
  518    HD1  PHE  64           HD1      PHE  64  -4.773  -7.781  -3.819
  519    HD2  PHE  64           HD2      PHE  64  -5.553  -8.399   0.318
  520    HE1  PHE  64           HE1      PHE  64  -7.172  -7.417  -4.219
  521    HE2  PHE  64           HE2      PHE  64  -7.954  -8.039  -0.076
  522    HZ   PHE  64           HZ       PHE  64  -8.766  -7.547  -2.347
  523    H    TYR  65           HN       TYR  65  -1.613  -9.473  -3.367
  524    HA   TYR  65           HA       TYR  65   0.691 -10.706  -2.095
  525   1HB   TYR  65          HB2       TYR  65   0.305  -9.638  -4.899
  526   2HB   TYR  65          HB3       TYR  65   1.769 -10.433  -4.320
  527    HD1  TYR  65           HD1      TYR  65  -1.507 -10.894  -5.680
  528    HD2  TYR  65           HD2      TYR  65   1.587 -12.826  -3.496
  529    HE1  TYR  65           HE1      TYR  65  -2.464 -13.075  -6.278
  530    HE2  TYR  65           HE2      TYR  65   0.635 -15.020  -4.083
  531    HH   TYR  65           HH       TYR  65  -1.703 -15.420  -6.505
  532    H    LEU  66           HN       LEU  66   1.650  -9.437  -0.685
  533    HA   LEU  66           HA       LEU  66   1.848  -6.570  -1.247
  534   1HB   LEU  66          HB2       LEU  66   2.303  -8.037   1.347
  535   2HB   LEU  66          HB3       LEU  66   2.194  -6.299   1.128
  536    HG   LEU  66           HG       LEU  66  -0.056  -8.251   0.663
  537   1HD1  LEU  66          HD11      LEU  66  -1.034  -7.292   2.678
  538   2HD1  LEU  66          HD12      LEU  66   0.515  -8.065   3.018
  539   3HD1  LEU  66          HD13      LEU  66   0.412  -6.308   2.912
  540   1HD2  LEU  66          HD21      LEU  66  -1.453  -6.266   0.467
  541   2HD2  LEU  66          HD22      LEU  66  -0.031  -5.239   0.647
  542   3HD2  LEU  66          HD23      LEU  66  -0.194  -6.279  -0.766
  543    H    SER  67           HN       SER  67   3.788  -5.469  -1.030
  544    HA   SER  67           HA       SER  67   6.195  -7.100  -0.611
  545   1HB   SER  67          HB2       SER  67   5.852  -4.816  -2.578
  546   2HB   SER  67          HB3       SER  67   7.364  -5.665  -2.256
  547    HG   SER  67           HG       SER  67   6.652  -6.818  -3.898
  548    H    ASP  68           HN       ASP  68   6.957  -6.526   1.284
  549    HA   ASP  68           HA       ASP  68   6.523  -3.845   2.321
  550   1HB   ASP  68          HB2       ASP  68   7.719  -6.323   3.581
  551   2HB   ASP  68          HB3       ASP  68   7.584  -4.775   4.401
  552    H    CYS  69           HN       CYS  69   7.925  -2.357   1.691
  553    HA   CYS  69           HA       CYS  69  10.731  -3.049   1.320
  554   1HB   CYS  69          HB2       CYS  69   9.240  -0.435   1.006
  555   2HB   CYS  69          HB3       CYS  69  10.943  -0.661   0.631
  556    H    ASN  70           HN       ASN  70  12.096  -2.982   3.004
  557    HA   ASN  70           HA       ASN  70  11.431  -1.171   5.243
  558   1HB   ASN  70          HB2       ASN  70  12.817  -3.839   5.559
  559   2HB   ASN  70          HB3       ASN  70  12.212  -2.787   6.831
  560   1HD2  ASN  70          HD21      ASN  70   9.965  -2.670   7.181
  561   2HD2  ASN  70          HD22      ASN  70   8.896  -3.916   6.634
  562    H    VAL  71           HN       VAL  71  13.009   0.074   6.009
  563    HA   VAL  71           HA       VAL  71  15.399   0.392   4.529
  564    HB   VAL  71           HB       VAL  71  14.198   2.177   5.845
  565   1HG1  VAL  71          HG11      VAL  71  15.601   0.888   8.175
  566   2HG1  VAL  71          HG12      VAL  71  14.829   2.473   8.200
  567   3HG1  VAL  71          HG13      VAL  71  13.860   1.024   7.934
  568   1HG2  VAL  71          HG21      VAL  71  16.379   2.582   4.888
  569   2HG2  VAL  71          HG22      VAL  71  16.264   3.360   6.469
  570   3HG2  VAL  71          HG23      VAL  71  17.162   1.851   6.292
  571    H    THR  72           HN       THR  72  17.434  -0.181   4.916
  572    HA   THR  72           HA       THR  72  17.767  -2.478   6.686
  573    HB   THR  72           HB       THR  72  19.883  -2.814   5.395
  574    HG1  THR  72           HG1      THR  72  18.905  -0.772   3.667
  575   1HG2  THR  72          HG21      THR  72  18.802  -3.482   3.288
  576   2HG2  THR  72          HG22      THR  72  17.377  -2.542   3.729
  577   3HG2  THR  72          HG23      THR  72  17.838  -3.947   4.689
  578    H    SER  73           HN       SER  73  20.722  -1.967   6.452
  579    HA   SER  73           HA       SER  73  21.000  -0.324   8.818
  580   1HB   SER  73          HB2       SER  73  23.466  -0.999   8.504
  581   2HB   SER  73          HB3       SER  73  22.323  -2.284   8.893
  582    HG   SER  73           HG       SER  73  23.953  -2.201   6.857
  583    H    ARG  74           HN       ARG  74  20.949   0.110   5.516
  584    HA   ARG  74           HA       ARG  74  22.624   2.513   5.639
  585   1HB   ARG  74          HB2       ARG  74  21.562   0.928   3.309
  586   2HB   ARG  74          HB3       ARG  74  22.306   2.511   3.124
  587   1HG   ARG  74          HG2       ARG  74  24.357   1.656   4.138
  588   2HG   ARG  74          HG3       ARG  74  23.612   0.061   4.270
  589   1HD   ARG  74          HD2       ARG  74  23.247   0.187   1.759
  590   2HD   ARG  74          HD3       ARG  74  24.321   1.585   1.775
  591    HE   ARG  74           HE       ARG  74  25.391  -0.796   3.020
  592   1HH1  ARG  74          HH12      ARG  74  25.190   1.166   0.121
  593   2HH1  ARG  74          HH11      ARG  74  26.508   0.361  -0.670
  594   1HH2  ARG  74          HH22      ARG  74  27.109  -1.881   1.966
  595   2HH2  ARG  74          HH21      ARG  74  27.606  -1.362   0.378
  596    HA   PRO  75           HA       PRO  75  19.085   5.010   5.839
  597   1HB   PRO  75          HB2       PRO  75  20.115   7.348   4.930
  598   2HB   PRO  75          HB3       PRO  75  20.488   6.678   6.520
  599   1HG   PRO  75          HG2       PRO  75  22.135   6.721   4.053
  600   2HG   PRO  75          HG3       PRO  75  22.642   6.769   5.750
  601   1HD   PRO  75          HD2       PRO  75  22.712   4.533   4.089
  602   2HD   PRO  75          HD3       PRO  75  22.808   4.498   5.855
  603    H    CYS  76           HN       CYS  76  17.374   5.091   4.627
  604    HA   CYS  76           HA       CYS  76  15.955   5.126   2.867
  605   1HB   CYS  76          HB2       CYS  76  16.902   7.438   2.672
  606   2HB   CYS  76          HB3       CYS  76  18.049   6.826   1.496
  607    H    LYS  77           HN       LYS  77  18.228   3.136   3.037
  608    HA   LYS  77           HA       LYS  77  17.882   2.101   0.301
  609   1HB   LYS  77          HB2       LYS  77  20.161   1.810   2.234
  610   2HB   LYS  77          HB3       LYS  77  19.873   0.573   1.018
  611   1HG   LYS  77          HG2       LYS  77  20.287   3.494   0.418
  612   2HG   LYS  77          HG3       LYS  77  21.548   2.261   0.342
  613   1HD   LYS  77          HD2       LYS  77  20.259   1.058  -1.365
  614   2HD   LYS  77          HD3       LYS  77  19.004   2.294  -1.284
  615   1HE   LYS  77          HE2       LYS  77  20.527   3.967  -2.103
  616   2HE   LYS  77          HE3       LYS  77  21.873   2.832  -2.035
  617   1HZ   LYS  77          HZ1       LYS  77  19.495   2.617  -3.822
  618   2HZ   LYS  77          HZ2       LYS  77  20.757   1.486  -3.729
  619   3HZ   LYS  77          HZ3       LYS  77  21.068   3.051  -4.288
  620    H    TYR  78           HN       TYR  78  16.814   0.189   0.087
  621    HA   TYR  78           HA       TYR  78  15.808  -0.938   2.619
  622   1HB   TYR  78          HB2       TYR  78  14.150  -0.537   0.129
  623   2HB   TYR  78          HB3       TYR  78  13.586  -0.987   1.735
  624    HD1  TYR  78           HD1      TYR  78  13.470   0.679   3.518
  625    HD2  TYR  78           HD2      TYR  78  14.637   1.754  -0.422
  626    HE1  TYR  78           HE1      TYR  78  13.062   3.039   4.053
  627    HE2  TYR  78           HE2      TYR  78  14.233   4.123   0.098
  628    HH   TYR  78           HH       TYR  78  13.684   5.210   3.306
  629    H    LYS  79           HN       LYS  79  15.046  -3.068   2.557
  630    HA   LYS  79           HA       LYS  79  15.847  -4.632   0.212
  631   1HB   LYS  79          HB2       LYS  79  15.810  -6.590   1.777
  632   2HB   LYS  79          HB3       LYS  79  17.072  -5.418   2.099
  633   1HG   LYS  79          HG2       LYS  79  16.298  -5.907   4.205
  634   2HG   LYS  79          HG3       LYS  79  15.394  -4.449   3.805
  635   1HD   LYS  79          HD2       LYS  79  13.460  -5.785   3.198
  636   2HD   LYS  79          HD3       LYS  79  14.365  -7.267   3.502
  637   1HE   LYS  79          HE2       LYS  79  14.612  -6.611   5.857
  638   2HE   LYS  79          HE3       LYS  79  13.660  -5.159   5.540
  639   1HZ   LYS  79          HZ1       LYS  79  12.359  -6.987   6.517
  640   2HZ   LYS  79          HZ2       LYS  79  12.676  -7.934   5.144
  641   3HZ   LYS  79          HZ3       LYS  79  11.773  -6.506   5.002
  642    H    LEU  80           HN       LEU  80  14.356  -6.556  -0.175
  643    HA   LEU  80           HA       LEU  80  11.632  -5.494   0.048
  644   1HB   LEU  80          HB2       LEU  80  13.115  -6.791  -2.089
  645   2HB   LEU  80          HB3       LEU  80  11.538  -7.497  -1.830
  646    HG   LEU  80           HG       LEU  80  11.946  -4.568  -2.206
  647   1HD1  LEU  80          HD11      LEU  80  11.210  -6.635  -4.266
  648   2HD1  LEU  80          HD12      LEU  80  11.228  -4.890  -4.517
  649   3HD1  LEU  80          HD13      LEU  80  12.734  -5.750  -4.199
  650   1HD2  LEU  80          HD21      LEU  80   9.889  -5.214  -1.091
  651   2HD2  LEU  80          HD22      LEU  80   9.562  -4.593  -2.709
  652   3HD2  LEU  80          HD23      LEU  80   9.524  -6.329  -2.406
  653    H    LYS  81           HN       LYS  81   9.975  -6.645   0.735
  654    HA   LYS  81           HA       LYS  81  10.427  -9.433   1.560
  655   1HB   LYS  81          HB2       LYS  81  10.459  -8.163   3.586
  656   2HB   LYS  81          HB3       LYS  81   9.081  -7.200   3.084
  657   1HG   LYS  81          HG2       LYS  81   7.668  -9.224   3.233
  658   2HG   LYS  81          HG3       LYS  81   9.062 -10.111   3.853
  659   1HD   LYS  81          HD2       LYS  81   9.169  -8.733   5.796
  660   2HD   LYS  81          HD3       LYS  81   7.981  -7.609   5.135
  661   1HE   LYS  81          HE2       LYS  81   7.469 -10.484   5.892
  662   2HE   LYS  81          HE3       LYS  81   6.989  -9.070   6.830
  663   1HZ   LYS  81          HZ1       LYS  81   5.972  -9.952   4.195
  664   2HZ   LYS  81          HZ2       LYS  81   5.721  -8.376   4.769
  665   3HZ   LYS  81          HZ3       LYS  81   5.100  -9.703   5.630
  666    H    LYS  82           HN       LYS  82   9.327 -10.441  -0.030
  667    HA   LYS  82           HA       LYS  82   6.748  -9.380  -0.888
  668   1HB   LYS  82          HB2       LYS  82   8.294 -11.767  -1.918
  669   2HB   LYS  82          HB3       LYS  82   6.932 -10.975  -2.703
  670   1HG   LYS  82          HG2       LYS  82   8.231  -8.984  -3.071
  671   2HG   LYS  82          HG3       LYS  82   9.574  -9.645  -2.139
  672   1HD   LYS  82          HD2       LYS  82   9.801 -11.453  -3.799
  673   2HD   LYS  82          HD3       LYS  82   8.503 -10.717  -4.740
  674   1HE   LYS  82          HE2       LYS  82   9.834  -8.687  -5.009
  675   2HE   LYS  82          HE3       LYS  82  11.121  -9.395  -4.034
  676   1HZ   LYS  82          HZ1       LYS  82  11.814  -9.748  -6.198
  677   2HZ   LYS  82          HZ2       LYS  82  10.262 -10.117  -6.767
  678   3HZ   LYS  82          HZ3       LYS  82  11.100 -11.234  -5.808
  679    H    SER  83           HN       SER  83   4.955 -10.033   0.112
  680    HA   SER  83           HA       SER  83   4.781 -12.807   1.052
  681   1HB   SER  83          HB2       SER  83   4.006 -10.428   2.758
  682   2HB   SER  83          HB3       SER  83   3.975 -12.129   3.230
  683    HG   SER  83           HG       SER  83   6.398 -11.815   2.490
  684    H    THR  84           HN       THR  84   2.459 -13.237   1.853
  685    HA   THR  84           HA       THR  84   0.491 -11.661   0.320
  686    HB   THR  84           HB       THR  84   0.208 -14.628   0.793
  687    HG1  THR  84           HG1      THR  84   2.009 -13.415  -0.785
  688   1HG2  THR  84          HG21      THR  84  -1.805 -13.397   0.136
  689   2HG2  THR  84          HG22      THR  84  -1.282 -14.482  -1.154
  690   3HG2  THR  84          HG23      THR  84  -0.959 -12.753  -1.271
  691    H    ASN  85           HN       ASN  85  -0.893 -10.710   1.685
  692    HA   ASN  85           HA       ASN  85  -1.960 -12.115   3.974
  693   1HB   ASN  85          HB2       ASN  85   0.309 -10.886   4.597
  694   2HB   ASN  85          HB3       ASN  85  -0.739  -9.485   4.603
  695   1HD2  ASN  85          HD21      ASN  85   0.697 -10.668   6.798
  696   2HD2  ASN  85          HD22      ASN  85  -0.484 -11.078   7.992
  697    H    LYS  86           HN       LYS  86  -3.750 -10.940   4.957
  698    HA   LYS  86           HA       LYS  86  -5.164  -9.229   3.144
  699   1HB   LYS  86          HB2       LYS  86  -5.822  -9.521   6.061
  700   2HB   LYS  86          HB3       LYS  86  -6.915  -9.291   4.705
  701   1HG   LYS  86          HG2       LYS  86  -6.281 -11.610   3.950
  702   2HG   LYS  86          HG3       LYS  86  -5.464 -11.793   5.504
  703   1HD   LYS  86          HD2       LYS  86  -7.641 -11.154   6.591
  704   2HD   LYS  86          HD3       LYS  86  -8.374 -11.285   4.999
  705   1HE   LYS  86          HE2       LYS  86  -7.858 -13.595   4.847
  706   2HE   LYS  86          HE3       LYS  86  -6.832 -13.520   6.277
  707   1HZ   LYS  86          HZ1       LYS  86  -8.803 -13.050   7.613
  708   2HZ   LYS  86          HZ2       LYS  86  -8.968 -14.518   6.782
  709   3HZ   LYS  86          HZ3       LYS  86  -9.782 -13.137   6.230
  710    H    PHE  87           HN       PHE  87  -6.000  -7.040   4.011
  711    HA   PHE  87           HA       PHE  87  -4.306  -5.814   5.998
  712   1HB   PHE  87          HB2       PHE  87  -3.723  -3.872   4.508
  713   2HB   PHE  87          HB3       PHE  87  -2.879  -5.375   4.165
  714    HD1  PHE  87           HD1      PHE  87  -2.833  -6.195   1.979
  715    HD2  PHE  87           HD2      PHE  87  -5.801  -3.353   3.080
  716    HE1  PHE  87           HE1      PHE  87  -3.562  -6.050  -0.366
  717    HE2  PHE  87           HE2      PHE  87  -6.529  -3.206   0.737
  718    HZ   PHE  87           HZ       PHE  87  -5.307  -4.529  -1.021
  719    H    CYS  88           HN       CYS  88  -5.063  -3.822   6.773
  720    HA   CYS  88           HA       CYS  88  -7.936  -3.477   6.309
  721   1HB   CYS  88          HB2       CYS  88  -7.154  -3.872   8.630
  722   2HB   CYS  88          HB3       CYS  88  -6.175  -2.412   8.533
  723    H    VAL  89           HN       VAL  89  -8.597  -1.792   5.140
  724    HA   VAL  89           HA       VAL  89  -6.766   0.499   4.840
  725    HB   VAL  89           HB       VAL  89  -7.999   0.955   2.674
  726   1HG1  VAL  89          HG11      VAL  89  -5.757   0.017   2.714
  727   2HG1  VAL  89          HG12      VAL  89  -6.422  -1.606   2.886
  728   3HG1  VAL  89          HG13      VAL  89  -6.699  -0.693   1.404
  729   1HG2  VAL  89          HG21      VAL  89  -8.967  -1.875   3.102
  730   2HG2  VAL  89          HG22      VAL  89  -9.970  -0.425   3.055
  731   3HG2  VAL  89          HG23      VAL  89  -9.125  -0.961   1.600
  732    H    THR  90           HN       THR  90  -7.568   2.545   5.127
  733    HA   THR  90           HA       THR  90 -10.094   2.755   6.504
  734    HB   THR  90           HB       THR  90  -8.191   4.938   5.609
  735    HG1  THR  90           HG1      THR  90  -8.415   3.439   8.024
  736   1HG2  THR  90          HG21      THR  90 -10.400   5.010   7.673
  737   2HG2  THR  90          HG22      THR  90 -10.477   5.741   6.069
  738   3HG2  THR  90          HG23      THR  90  -9.314   6.337   7.254
  739    H    CYS  91           HN       CYS  91 -11.873   2.603   5.267
  740    HA   CYS  91           HA       CYS  91 -11.816   3.633   2.542
  741   1HB   CYS  91          HB2       CYS  91 -13.914   2.046   4.021
  742   2HB   CYS  91          HB3       CYS  91 -13.951   2.441   2.304
  743    H    GLU  92           HN       GLU  92 -12.620   5.516   1.984
  744    HA   GLU  92           HA       GLU  92 -14.959   6.550   3.395
  745   1HB   GLU  92          HB2       GLU  92 -12.616   7.560   4.166
  746   2HB   GLU  92          HB3       GLU  92 -12.817   8.508   2.704
  747   1HG   GLU  92          HG2       GLU  92 -15.058   9.197   3.553
  748   2HG   GLU  92          HG3       GLU  92 -14.658   8.403   5.068
  749    H    ASN  93           HN       ASN  93 -16.413   7.377   1.997
  750    HA   ASN  93           HA       ASN  93 -17.446   7.860   0.025
  751   1HB   ASN  93          HB2       ASN  93 -14.736   9.022  -0.677
  752   2HB   ASN  93          HB3       ASN  93 -16.210   9.282  -1.601
  753   1HD2  ASN  93          HD21      ASN  93 -14.439  10.086   1.253
  754   2HD2  ASN  93          HD22      ASN  93 -15.476  11.366   1.785
  755    H    GLN  94           HN       GLN  94 -16.239   5.296   0.341
  756    HA   GLN  94           HA       GLN  94 -16.149   3.374  -0.845
  757   1HB   GLN  94          HB2       GLN  94 -16.778   5.114  -3.228
  758   2HB   GLN  94          HB3       GLN  94 -16.797   3.356  -3.220
  759   1HG   GLN  94          HG2       GLN  94 -18.584   3.386  -1.557
  760   2HG   GLN  94          HG3       GLN  94 -18.567   5.148  -1.577
  761   1HE2  GLN  94          HE21      GLN  94 -18.064   3.254  -4.436
  762   2HE2  GLN  94          HE22      GLN  94 -19.573   3.634  -5.200
  763    H    ALA  95           HN       ALA  95 -13.848   5.390  -0.639
  764    HA   ALA  95           HA       ALA  95 -12.083   3.845  -2.400
  765   1HB   ALA  95          HB1       ALA  95 -10.813   5.847  -2.970
  766   2HB   ALA  95          HB2       ALA  95 -12.492   5.997  -3.489
  767   3HB   ALA  95          HB3       ALA  95 -11.937   6.834  -2.039
  768    HA   PRO  96           HA       PRO  96  -9.590   3.409   1.300
  769   1HB   PRO  96          HB2       PRO  96  -7.424   2.974  -0.654
  770   2HB   PRO  96          HB3       PRO  96  -7.993   1.921   0.644
  771   1HG   PRO  96          HG2       PRO  96  -8.487   1.397  -1.952
  772   2HG   PRO  96          HG3       PRO  96  -9.629   0.973  -0.669
  773   1HD   PRO  96          HD2       PRO  96  -9.741   3.191  -2.638
  774   2HD   PRO  96          HD3       PRO  96 -11.057   2.247  -1.927
  775    H    VAL  97           HN       VAL  97  -9.135   5.317   2.264
  776    HA   VAL  97           HA       VAL  97  -7.545   7.289   0.778
  777    HB   VAL  97           HB       VAL  97  -8.283   8.948   2.426
  778   1HG1  VAL  97          HG11      VAL  97  -9.619   8.692   0.444
  779   2HG1  VAL  97          HG12      VAL  97 -10.510   7.353   1.171
  780   3HG1  VAL  97          HG13      VAL  97 -10.684   8.981   1.821
  781   1HG2  VAL  97          HG21      VAL  97  -8.522   7.520   4.370
  782   2HG2  VAL  97          HG22      VAL  97 -10.031   8.380   4.059
  783   3HG2  VAL  97          HG23      VAL  97  -9.875   6.680   3.614
  784    H    HIS  98           HN       HIS  98  -7.569   5.378   3.711
  785    HA   HIS  98           HA       HIS  98  -4.790   6.222   4.198
  786   1HB   HIS  98          HB2       HIS  98  -6.846   5.586   6.336
  787   2HB   HIS  98          HB3       HIS  98  -5.148   5.934   6.623
  788    HD1  HIS  98           HD1      HIS  98  -7.361   7.577   7.964
  789    HD2  HIS  98           HD2      HIS  98  -5.497   8.636   4.408
  790    HE1  HIS  98           HE1      HIS  98  -7.661  10.064   7.758
  791    HE2  HIS  98           HE2      HIS  98  -6.294  10.709   5.741
  792    H    PHE  99           HN       PHE  99  -3.467   4.585   5.198
  793    HA   PHE  99           HA       PHE  99  -4.515   1.861   4.780
  794   1HB   PHE  99          HB2       PHE  99  -2.590   2.549   3.321
  795   2HB   PHE  99          HB3       PHE  99  -1.617   2.736   4.776
  796    HD1  PHE  99           HD1      PHE  99  -0.507   0.916   5.707
  797    HD2  PHE  99           HD2      PHE  99  -3.569   0.255   2.825
  798    HE1  PHE  99           HE1      PHE  99   0.098  -1.467   5.619
  799    HE2  PHE  99           HE2      PHE  99  -2.971  -2.130   2.733
  800    HZ   PHE  99           HZ       PHE  99  -1.136  -2.993   4.099
  801    H    VAL 100           HN       VAL 100  -4.844   0.736   6.558
  802    HA   VAL 100           HA       VAL 100  -4.032   1.805   9.114
  803    HB   VAL 100           HB       VAL 100  -5.649  -0.658   8.428
  804   1HG1  VAL 100          HG11      VAL 100  -4.644  -0.842  10.637
  805   2HG1  VAL 100          HG12      VAL 100  -5.302   0.736  11.079
  806   3HG1  VAL 100          HG13      VAL 100  -6.388  -0.613  10.750
  807   1HG2  VAL 100          HG21      VAL 100  -6.741   1.369   7.669
  808   2HG2  VAL 100          HG22      VAL 100  -7.587   0.723   9.074
  809   3HG2  VAL 100          HG23      VAL 100  -6.517   2.113   9.252
  810    H    GLY 101           HN       GLY 101  -3.778  -1.401   7.588
  811   1HA   GLY 101          HA1       GLY 101  -1.073  -1.803   7.793
  812   2HA   GLY 101          HA2       GLY 101  -1.706  -2.274   9.364
  813    H    VAL 102           HN       VAL 102  -0.503  -4.234   7.995
  814    HA   VAL 102           HA       VAL 102  -2.577  -5.611   6.470
  815    HB   VAL 102           HB       VAL 102  -0.992  -6.925   5.489
  816   1HG1  VAL 102          HG11      VAL 102   0.550  -4.450   6.208
  817   2HG1  VAL 102          HG12      VAL 102   0.965  -5.568   4.909
  818   3HG1  VAL 102          HG13      VAL 102  -0.545  -4.661   4.842
  819   1HG2  VAL 102          HG21      VAL 102   0.950  -6.479   7.745
  820   2HG2  VAL 102          HG22      VAL 102  -0.114  -7.876   7.583
  821   3HG2  VAL 102          HG23      VAL 102   1.137  -7.584   6.380
  822    H    GLY 103           HN       GLY 103  -3.125  -7.793   6.911
  823   1HA   GLY 103          HA1       GLY 103  -3.183  -9.707   8.309
  824   2HA   GLY 103          HA2       GLY 103  -2.491  -8.753   9.612
  825    H    SER 104           HN       SER 104  -4.110  -6.648   9.880
  826    HA   SER 104           HA       SER 104  -6.888  -7.295   9.840
  827   1HB   SER 104          HB2       SER 104  -5.954  -8.755  11.715
  828   2HB   SER 104          HB3       SER 104  -5.608  -7.259  12.577
  829    HG   SER 104           HG       SER 104  -7.584  -7.719  13.275
  830    H    CYS 105           HN       CYS 105  -8.031  -5.679  11.458
  831    HA   CYS 105           HA       CYS 105  -6.943  -3.043  10.852
  832   1HB   CYS 105          HB2       CYS 105  -9.578  -3.970  12.000
  833   2HB   CYS 105          HB3       CYS 105  -9.152  -2.268  11.833
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1  -4.985  16.633   5.361
    2   2H    MET   1           H2       MET   1  -3.786  16.282   4.208
    3   3H    MET   1           H3       MET   1  -4.025  15.244   5.529
    4    HA   MET   1           HA       MET   1  -6.147  14.582   4.747
    5   1HB   MET   1          HB2       MET   1  -6.838  16.725   3.789
    6   2HB   MET   1          HB3       MET   1  -5.645  16.556   2.509
    7   1HG   MET   1          HG2       MET   1  -6.819  14.599   1.660
    8   2HG   MET   1          HG3       MET   1  -8.002  14.741   2.959
    9   1HE   MET   1          HE1       MET   1  -9.827  18.074   2.082
   10   2HE   MET   1          HE2       MET   1  -9.797  16.661   3.139
   11   3HE   MET   1          HE3       MET   1  -8.480  17.834   3.196
   12    H    GLN   2           HN       GLN   2  -5.931  12.607   3.990
   13    HA   GLN   2           HA       GLN   2  -4.067  12.125   1.749
   14   1HB   GLN   2          HB2       GLN   2  -4.783  10.292   4.056
   15   2HB   GLN   2          HB3       GLN   2  -3.824   9.811   2.664
   16   1HG   GLN   2          HG2       GLN   2  -3.044  12.037   4.530
   17   2HG   GLN   2          HG3       GLN   2  -2.524  10.367   4.728
   18   1HE2  GLN   2          HE21      GLN   2  -2.262  13.244   2.781
   19   2HE2  GLN   2          HE22      GLN   2  -0.844  12.763   1.911
   20    H    ASP   3           HN       ASP   3  -4.882  10.874   0.058
   21    HA   ASP   3           HA       ASP   3  -7.664  10.007   0.285
   22   1HB   ASP   3          HB2       ASP   3  -7.357  12.414  -0.656
   23   2HB   ASP   3          HB3       ASP   3  -6.848  11.577  -2.109
   24    H    TRP   4           HN       TRP   4  -8.210   9.291  -2.213
   25    HA   TRP   4           HA       TRP   4  -6.917   6.789  -2.387
   26   1HB   TRP   4          HB2       TRP   4  -9.222   7.088  -3.071
   27   2HB   TRP   4          HB3       TRP   4  -8.744   8.240  -4.312
   28    HD1  TRP   4           HD1      TRP   4  -8.922   7.197  -6.610
   29    HE1  TRP   4           HE1      TRP   4  -8.519   4.873  -7.644
   30    HE3  TRP   4           HE3      TRP   4  -7.495   4.686  -2.398
   31    HZ2  TRP   4           HZ2      TRP   4  -7.693   2.325  -6.778
   32    HZ3  TRP   4           HZ3      TRP   4  -6.921   2.299  -2.583
   33    HH2  TRP   4           HH2      TRP   4  -7.010   1.149  -4.735
   34    H    LEU   5           HN       LEU   5  -6.521   9.799  -4.144
   35    HA   LEU   5           HA       LEU   5  -4.859   8.859  -6.202
   36   1HB   LEU   5          HB2       LEU   5  -4.959  11.584  -4.904
   37   2HB   LEU   5          HB3       LEU   5  -4.084  11.222  -6.376
   38    HG   LEU   5           HG       LEU   5  -6.070  12.264  -7.061
   39   1HD1  LEU   5          HD11      LEU   5  -5.529  10.313  -8.389
   40   2HD1  LEU   5          HD12      LEU   5  -6.494   9.295  -7.320
   41   3HD1  LEU   5          HD13      LEU   5  -7.277  10.536  -8.299
   42   1HD2  LEU   5          HD21      LEU   5  -8.305  11.572  -6.340
   43   2HD2  LEU   5          HD22      LEU   5  -7.579  10.406  -5.236
   44   3HD2  LEU   5          HD23      LEU   5  -7.318  12.132  -4.991
   45    H    THR   6           HN       THR   6  -4.158  10.007  -2.946
   46    HA   THR   6           HA       THR   6  -1.314   9.842  -3.261
   47    HB   THR   6           HB       THR   6  -2.888   9.975  -0.684
   48    HG1  THR   6           HG1      THR   6  -2.313  11.897  -2.654
   49   1HG2  THR   6          HG21      THR   6  -0.083  10.857  -1.395
   50   2HG2  THR   6          HG22      THR   6  -0.511   9.455  -0.413
   51   3HG2  THR   6          HG23      THR   6  -0.865  11.081   0.171
   52    H    PHE   7           HN       PHE   7  -3.867   7.861  -1.888
   53    HA   PHE   7           HA       PHE   7  -2.349   5.885  -0.647
   54   1HB   PHE   7          HB2       PHE   7  -4.835   6.188  -0.485
   55   2HB   PHE   7          HB3       PHE   7  -4.981   5.511  -2.101
   56    HD1  PHE   7           HD1      PHE   7  -4.613   4.824   1.405
   57    HD2  PHE   7           HD2      PHE   7  -4.335   3.124  -2.489
   58    HE1  PHE   7           HE1      PHE   7  -4.730   2.570   2.386
   59    HE2  PHE   7           HE2      PHE   7  -4.452   0.865  -1.513
   60    HZ   PHE   7           HZ       PHE   7  -4.652   0.587   0.925
   61    H    GLN   8           HN       GLN   8  -3.462   6.187  -3.985
   62    HA   GLN   8           HA       GLN   8  -2.653   3.733  -4.987
   63   1HB   GLN   8          HB2       GLN   8  -3.210   6.403  -6.107
   64   2HB   GLN   8          HB3       GLN   8  -2.257   5.325  -7.108
   65   1HG   GLN   8          HG2       GLN   8  -4.019   3.625  -6.927
   66   2HG   GLN   8          HG3       GLN   8  -4.980   4.757  -5.971
   67   1HE2  GLN   8          HE21      GLN   8  -5.914   6.526  -6.976
   68   2HE2  GLN   8          HE22      GLN   8  -6.050   6.653  -8.693
   69    H    LYS   9           HN       LYS   9  -0.863   6.811  -5.247
   70    HA   LYS   9           HA       LYS   9   1.365   5.793  -6.549
   71   1HB   LYS   9          HB2       LYS   9   1.234   8.095  -4.600
   72   2HB   LYS   9          HB3       LYS   9   2.501   7.828  -5.788
   73   1HG   LYS   9          HG2       LYS   9   1.009   8.240  -7.591
   74   2HG   LYS   9          HG3       LYS   9  -0.388   8.241  -6.509
   75   1HD   LYS   9          HD2       LYS   9   0.468  10.217  -5.389
   76   2HD   LYS   9          HD3       LYS   9   1.889  10.215  -6.433
   77   1HE   LYS   9          HE2       LYS   9   0.375  11.843  -7.289
   78   2HE   LYS   9          HE3       LYS   9   0.341  10.462  -8.385
   79   1HZ   LYS   9          HZ1       LYS   9  -1.660  10.988  -6.253
   80   2HZ   LYS   9          HZ2       LYS   9  -1.711   9.728  -7.389
   81   3HZ   LYS   9          HZ3       LYS   9  -1.879  11.337  -7.895
   82    H    LYS  10           HN       LYS  10   0.514   5.700  -3.191
   83    HA   LYS  10           HA       LYS  10   3.217   4.988  -2.375
   84   1HB   LYS  10          HB2       LYS  10   0.703   5.664  -0.893
   85   2HB   LYS  10          HB3       LYS  10   2.030   4.862  -0.067
   86   1HG   LYS  10          HG2       LYS  10   3.512   6.690  -0.556
   87   2HG   LYS  10          HG3       LYS  10   2.276   7.472  -1.545
   88   1HD   LYS  10          HD2       LYS  10   0.929   7.948   0.334
   89   2HD   LYS  10          HD3       LYS  10   1.841   6.843   1.363
   90   1HE   LYS  10          HE2       LYS  10   3.000   9.341   0.136
   91   2HE   LYS  10          HE3       LYS  10   2.307   9.274   1.754
   92   1HZ   LYS  10          HZ1       LYS  10   4.599   7.642   0.810
   93   2HZ   LYS  10          HZ2       LYS  10   3.946   7.627   2.371
   94   3HZ   LYS  10          HZ3       LYS  10   4.722   9.019   1.785
   95    H    HIS  11           HN       HIS  11   0.269   3.313  -3.151
   96    HA   HIS  11           HA       HIS  11   1.347   0.938  -1.778
   97   1HB   HIS  11          HB2       HIS  11  -1.539   1.821  -1.710
   98   2HB   HIS  11          HB3       HIS  11  -0.921   0.314  -1.048
   99    HD1  HIS  11           HD1      HIS  11   1.026   0.746   0.902
  100    HD2  HIS  11           HD2      HIS  11  -1.671   3.810   0.097
  101    HE1  HIS  11           HE1      HIS  11   1.075   2.246   2.924
  102    HE2  HIS  11           HE2      HIS  11  -0.706   3.985   2.487
  103    H    ILE  12           HN       ILE  12   0.494   2.059  -4.757
  104    HA   ILE  12           HA       ILE  12  -0.600  -0.569  -5.534
  105    HB   ILE  12           HB       ILE  12  -0.835   2.064  -7.005
  106   1HG1  ILE  12          HG12      ILE  12  -2.268   1.972  -5.039
  107   2HG1  ILE  12          HG13      ILE  12  -3.239   1.859  -6.497
  108   1HG2  ILE  12          HG21      ILE  12  -0.692   0.252  -8.586
  109   2HG2  ILE  12          HG22      ILE  12  -1.909  -0.663  -7.697
  110   3HG2  ILE  12          HG23      ILE  12  -2.355   0.836  -8.510
  111   1HD1  ILE  12          HD11      ILE  12  -3.466  -0.538  -6.171
  112   2HD1  ILE  12          HD12      ILE  12  -2.456  -0.447  -4.728
  113   3HD1  ILE  12          HD13      ILE  12  -4.027   0.354  -4.757
  114    H    THR  13           HN       THR  13   0.809  -1.902  -6.437
  115    HA   THR  13           HA       THR  13   2.739  -0.815  -8.362
  116    HB   THR  13           HB       THR  13   3.987  -1.141  -6.263
  117    HG1  THR  13           HG1      THR  13   5.338  -3.053  -7.309
  118   1HG2  THR  13          HG21      THR  13   2.652  -2.903  -5.249
  119   2HG2  THR  13          HG22      THR  13   4.340  -3.405  -5.373
  120   3HG2  THR  13          HG23      THR  13   3.145  -4.031  -6.515
  121    H    ASN  14           HN       ASN  14   3.444  -2.340  -9.965
  122    HA   ASN  14           HA       ASN  14   1.582  -4.603 -10.296
  123   1HB   ASN  14          HB2       ASN  14   3.048  -2.884 -12.281
  124   2HB   ASN  14          HB3       ASN  14   2.442  -4.470 -12.734
  125   1HD2  ASN  14          HD21      ASN  14   1.770  -1.808 -13.663
  126   2HD2  ASN  14          HD22      ASN  14   0.053  -1.662 -13.476
  127    H    THR  15           HN       THR  15   4.597  -4.013  -9.254
  128    HA   THR  15           HA       THR  15   5.560  -6.608 -10.250
  129    HB   THR  15           HB       THR  15   6.955  -4.822 -11.146
  130    HG1  THR  15           HG1      THR  15   8.914  -5.696 -10.490
  131   1HG2  THR  15          HG21      THR  15   7.541  -4.085  -8.275
  132   2HG2  THR  15          HG22      THR  15   6.551  -3.142  -9.386
  133   3HG2  THR  15          HG23      THR  15   8.270  -3.362  -9.711
  134    H    ARG  16           HN       ARG  16   6.402  -8.042  -8.803
  135    HA   ARG  16           HA       ARG  16   5.558  -7.829  -6.098
  136   1HB   ARG  16          HB2       ARG  16   7.383  -9.815  -7.463
  137   2HB   ARG  16          HB3       ARG  16   6.871  -9.943  -5.787
  138   1HG   ARG  16          HG2       ARG  16   5.030  -9.930  -8.159
  139   2HG   ARG  16          HG3       ARG  16   5.543 -11.360  -7.253
  140   1HD   ARG  16          HD2       ARG  16   4.111  -9.003  -6.060
  141   2HD   ARG  16          HD3       ARG  16   3.312 -10.486  -6.582
  142    HE   ARG  16           HE       ARG  16   4.771 -11.621  -4.872
  143   1HH1  ARG  16          HH12      ARG  16   3.964  -8.231  -4.574
  144   2HH1  ARG  16          HH11      ARG  16   4.061  -8.221  -2.847
  145   1HH2  ARG  16          HH22      ARG  16   4.820 -11.636  -2.577
  146   2HH2  ARG  16          HH21      ARG  16   4.544 -10.152  -1.712
  147    H    ASP  17           HN       ASP  17   8.771  -7.769  -7.610
  148    HA   ASP  17           HA       ASP  17   9.909  -6.804  -5.096
  149   1HB   ASP  17          HB2       ASP  17  11.063  -8.564  -6.556
  150   2HB   ASP  17          HB3       ASP  17  11.380  -7.267  -7.700
  151    H    VAL  18           HN       VAL  18   8.675  -4.834  -5.188
  152    HA   VAL  18           HA       VAL  18   8.918  -3.005  -7.326
  153    HB   VAL  18           HB       VAL  18   7.062  -2.607  -5.960
  154   1HG1  VAL  18          HG11      VAL  18   8.880  -2.550  -3.561
  155   2HG1  VAL  18          HG12      VAL  18   7.145  -2.225  -3.544
  156   3HG1  VAL  18          HG13      VAL  18   7.739  -3.827  -3.983
  157   1HG2  VAL  18          HG21      VAL  18   7.385  -0.347  -5.011
  158   2HG2  VAL  18          HG22      VAL  18   9.128  -0.539  -5.214
  159   3HG2  VAL  18          HG23      VAL  18   8.070  -0.522  -6.626
  160    H    ASP  19           HN       ASP  19  10.245  -1.265  -7.636
  161    HA   ASP  19           HA       ASP  19  12.891  -1.559  -6.641
  162   1HB   ASP  19          HB2       ASP  19  12.320  -0.805  -8.954
  163   2HB   ASP  19          HB3       ASP  19  11.746   0.712  -8.272
  164    H    CYS  20           HN       CYS  20  12.327  -1.348  -4.394
  165    HA   CYS  20           HA       CYS  20  11.215   0.796  -3.111
  166   1HB   CYS  20          HB2       CYS  20  13.561  -0.806  -2.085
  167   2HB   CYS  20          HB3       CYS  20  12.366   0.060  -1.123
  168    H    ASP  21           HN       ASP  21  14.715   0.374  -3.749
  169    HA   ASP  21           HA       ASP  21  15.527   2.585  -2.234
  170   1HB   ASP  21          HB2       ASP  21  17.042   0.779  -2.938
  171   2HB   ASP  21          HB3       ASP  21  16.930   1.335  -4.605
  172    H    ASN  22           HN       ASN  22  14.679   2.360  -5.644
  173    HA   ASN  22           HA       ASN  22  15.499   5.080  -6.179
  174   1HB   ASN  22          HB2       ASN  22  15.674   3.228  -7.853
  175   2HB   ASN  22          HB3       ASN  22  13.921   3.181  -7.920
  176   1HD2  ASN  22          HD21      ASN  22  13.799   3.712 -10.057
  177   2HD2  ASN  22          HD22      ASN  22  14.209   5.276 -10.673
  178    H    ILE  23           HN       ILE  23  12.423   3.315  -6.156
  179    HA   ILE  23           HA       ILE  23  10.784   5.511  -6.719
  180    HB   ILE  23           HB       ILE  23  10.182   2.922  -5.293
  181   1HG1  ILE  23          HG12      ILE  23   9.670   3.884  -8.113
  182   2HG1  ILE  23          HG13      ILE  23  10.901   2.726  -7.622
  183   1HG2  ILE  23          HG21      ILE  23   8.199   4.937  -6.341
  184   2HG2  ILE  23          HG22      ILE  23   7.823   3.359  -5.645
  185   3HG2  ILE  23          HG23      ILE  23   8.535   4.621  -4.639
  186   1HD1  ILE  23          HD11      ILE  23   9.164   1.163  -6.936
  187   2HD1  ILE  23          HD12      ILE  23   7.926   2.327  -7.409
  188   3HD1  ILE  23          HD13      ILE  23   8.986   1.624  -8.629
  189    H    LEU  24           HN       LEU  24  11.942   4.229  -3.625
  190    HA   LEU  24           HA       LEU  24  10.333   5.926  -2.012
  191   1HB   LEU  24          HB2       LEU  24  12.546   4.012  -1.600
  192   2HB   LEU  24          HB3       LEU  24  12.293   5.204  -0.344
  193    HG   LEU  24           HG       LEU  24  10.302   4.294   0.312
  194   1HD1  LEU  24          HD11      LEU  24   9.951   2.845  -2.291
  195   2HD1  LEU  24          HD12      LEU  24   8.778   3.016  -0.977
  196   3HD1  LEU  24          HD13      LEU  24   9.244   4.424  -1.938
  197   1HD2  LEU  24          HD21      LEU  24  12.072   2.690   0.696
  198   2HD2  LEU  24          HD22      LEU  24  10.540   1.872   0.389
  199   3HD2  LEU  24          HD23      LEU  24  11.763   1.959  -0.880
  200    H    SER  25           HN       SER  25  13.109   6.587  -3.827
  201    HA   SER  25           HA       SER  25  14.277   8.452  -1.956
  202   1HB   SER  25          HB2       SER  25  15.908   8.928  -3.658
  203   2HB   SER  25          HB3       SER  25  15.626   7.188  -3.675
  204    HG   SER  25           HG       SER  25  14.405   7.408  -5.514
  205    H    THR  26           HN       THR  26  11.603   8.513  -3.863
  206    HA   THR  26           HA       THR  26  11.726  11.214  -4.825
  207    HB   THR  26           HB       THR  26   9.352  10.881  -5.414
  208    HG1  THR  26           HG1      THR  26   9.480   8.195  -4.583
  209   1HG2  THR  26          HG21      THR  26  11.083   8.510  -6.141
  210   2HG2  THR  26          HG22      THR  26  11.110  10.084  -6.939
  211   3HG2  THR  26          HG23      THR  26   9.667   9.077  -7.026
  212    H    ASN  27           HN       ASN  27   9.927  12.766  -4.197
  213    HA   ASN  27           HA       ASN  27  10.099  13.305  -1.397
  214   1HB   ASN  27          HB2       ASN  27   9.916  15.064  -3.164
  215   2HB   ASN  27          HB3       ASN  27   8.256  14.557  -3.451
  216   1HD2  ASN  27          HD21      ASN  27  10.437  16.130  -1.266
  217   2HD2  ASN  27          HD22      ASN  27   9.225  16.871  -0.265
  218    H    LEU  28           HN       LEU  28   7.936  11.619  -3.432
  219    HA   LEU  28           HA       LEU  28   5.546  11.658  -2.001
  220   1HB   LEU  28          HB2       LEU  28   5.785  10.785  -4.271
  221   2HB   LEU  28          HB3       LEU  28   6.762   9.460  -3.674
  222    HG   LEU  28           HG       LEU  28   4.761   8.686  -2.367
  223   1HD1  LEU  28          HD11      LEU  28   3.350  10.743  -4.059
  224   2HD1  LEU  28          HD12      LEU  28   2.568   9.515  -3.063
  225   3HD1  LEU  28          HD13      LEU  28   3.531  10.786  -2.304
  226   1HD2  LEU  28          HD21      LEU  28   4.514   8.850  -5.364
  227   2HD2  LEU  28          HD22      LEU  28   5.411   7.637  -4.454
  228   3HD2  LEU  28          HD23      LEU  28   3.654   7.713  -4.327
  229    H    PHE  29           HN       PHE  29   8.478   9.810  -1.491
  230    HA   PHE  29           HA       PHE  29   7.185   8.485   0.798
  231   1HB   PHE  29          HB2       PHE  29   9.625   7.617  -0.761
  232   2HB   PHE  29          HB3       PHE  29   8.972   6.784   0.648
  233    HD1  PHE  29           HD1      PHE  29   8.631   7.400  -2.893
  234    HD2  PHE  29           HD2      PHE  29   6.790   5.652   0.516
  235    HE1  PHE  29           HE1      PHE  29   7.124   6.141  -4.363
  236    HE2  PHE  29           HE2      PHE  29   5.276   4.381  -0.949
  237    HZ   PHE  29           HZ       PHE  29   5.439   4.626  -3.394
  238    H    HIS  30           HN       HIS  30  10.013  10.249  -0.303
  239    HA   HIS  30           HA       HIS  30  11.412  11.671   0.778
  240   1HB   HIS  30          HB2       HIS  30   9.097  12.232   1.876
  241   2HB   HIS  30          HB3       HIS  30   9.785  11.440   3.286
  242    HD1  HIS  30           HD1      HIS  30  10.806  13.038   4.856
  243    HD2  HIS  30           HD2      HIS  30  11.042  14.371   0.923
  244    HE1  HIS  30           HE1      HIS  30  11.885  15.307   4.970
  245    HE2  HIS  30           HE2      HIS  30  11.823  16.177   2.607
  246    H    CYS  31           HN       CYS  31  11.850   8.853   0.802
  247    HA   CYS  31           HA       CYS  31  12.976   7.154   1.773
  248   1HB   CYS  31          HB2       CYS  31  14.458   9.381   3.198
  249   2HB   CYS  31          HB3       CYS  31  15.020   7.729   2.992
  250    H    LYS  32           HN       LYS  32  10.788   6.882   2.863
  251    HA   LYS  32           HA       LYS  32  10.573   7.449   5.660
  252   1HB   LYS  32          HB2       LYS  32   8.446   6.545   5.528
  253   2HB   LYS  32          HB3       LYS  32   8.705   7.082   3.875
  254   1HG   LYS  32          HG2       LYS  32   9.100   4.263   4.856
  255   2HG   LYS  32          HG3       LYS  32   7.669   4.855   4.018
  256   1HD   LYS  32          HD2       LYS  32   8.778   5.041   1.994
  257   2HD   LYS  32          HD3       LYS  32  10.364   5.161   2.759
  258   1HE   LYS  32          HE2       LYS  32   8.666   2.685   2.767
  259   2HE   LYS  32          HE3       LYS  32   9.940   3.006   1.593
  260   1HZ   LYS  32          HZ1       LYS  32  10.325   2.818   4.531
  261   2HZ   LYS  32          HZ2       LYS  32  11.543   3.077   3.389
  262   3HZ   LYS  32          HZ3       LYS  32  10.707   1.603   3.418
  263    H    ASP  33           HN       ASP  33  10.117   5.692   7.253
  264    HA   ASP  33           HA       ASP  33  12.238   3.875   7.552
  265   1HB   ASP  33          HB2       ASP  33  11.008   4.655   9.473
  266   2HB   ASP  33          HB3       ASP  33   9.499   4.019   8.834
  267    H    LYS  34           HN       LYS  34   8.792   3.100   6.932
  268    HA   LYS  34           HA       LYS  34   9.638   1.110   4.986
  269   1HB   LYS  34          HB2       LYS  34   7.911  -0.520   6.058
  270   2HB   LYS  34          HB3       LYS  34   9.563  -0.453   6.643
  271   1HG   LYS  34          HG2       LYS  34   8.197  -0.572   8.533
  272   2HG   LYS  34          HG3       LYS  34   8.750   1.096   8.437
  273   1HD   LYS  34          HD2       LYS  34   6.609   1.767   7.489
  274   2HD   LYS  34          HD3       LYS  34   6.058   0.088   7.520
  275   1HE   LYS  34          HE2       LYS  34   5.193   1.355   9.426
  276   2HE   LYS  34          HE3       LYS  34   6.258   0.048   9.941
  277   1HZ   LYS  34          HZ1       LYS  34   6.861   1.926  11.197
  278   2HZ   LYS  34          HZ2       LYS  34   6.852   2.950   9.845
  279   3HZ   LYS  34          HZ3       LYS  34   8.071   1.779  10.015
  280    H    ASN  35           HN       ASN  35   7.879   0.298   3.673
  281    HA   ASN  35           HA       ASN  35   5.384   1.755   3.698
  282   1HB   ASN  35          HB2       ASN  35   6.898   3.348   2.510
  283   2HB   ASN  35          HB3       ASN  35   7.276   2.103   1.343
  284   1HD2  ASN  35          HD21      ASN  35   5.650   1.424  -0.108
  285   2HD2  ASN  35          HD22      ASN  35   4.275   2.421  -0.446
  286    H    THR  36           HN       THR  36   3.963   0.198   3.327
  287    HA   THR  36           HA       THR  36   4.774  -2.197   1.906
  288    HB   THR  36           HB       THR  36   2.113  -1.653   3.224
  289    HG1  THR  36           HG1      THR  36   4.631  -2.161   4.305
  290   1HG2  THR  36          HG21      THR  36   3.585  -4.224   2.614
  291   2HG2  THR  36          HG22      THR  36   2.191  -3.601   1.729
  292   3HG2  THR  36          HG23      THR  36   2.017  -4.093   3.415
  293    H    PHE  37           HN       PHE  37   4.542  -2.278  -0.210
  294    HA   PHE  37           HA       PHE  37   2.407  -0.826  -1.576
  295   1HB   PHE  37          HB2       PHE  37   4.615  -2.591  -2.669
  296   2HB   PHE  37          HB3       PHE  37   3.479  -1.668  -3.640
  297    HD1  PHE  37           HD1      PHE  37   6.238  -1.360  -1.197
  298    HD2  PHE  37           HD2      PHE  37   3.888   0.576  -4.172
  299    HE1  PHE  37           HE1      PHE  37   7.804   0.540  -1.193
  300    HE2  PHE  37           HE2      PHE  37   5.448   2.476  -4.172
  301    HZ   PHE  37           HZ       PHE  37   7.411   2.453  -2.687
  302    H    ILE  38           HN       ILE  38   1.027  -1.942  -3.089
  303    HA   ILE  38           HA       ILE  38   0.432  -4.714  -2.290
  304    HB   ILE  38           HB       ILE  38  -1.501  -2.604  -3.280
  305   1HG1  ILE  38          HG12      ILE  38  -1.362  -3.830  -0.523
  306   2HG1  ILE  38          HG13      ILE  38  -0.552  -2.322  -0.932
  307   1HG2  ILE  38          HG21      ILE  38  -3.247  -4.221  -2.771
  308   2HG2  ILE  38          HG22      ILE  38  -2.111  -4.893  -3.941
  309   3HG2  ILE  38          HG23      ILE  38  -2.034  -5.394  -2.251
  310   1HD1  ILE  38          HD11      ILE  38  -2.684  -1.309  -1.483
  311   2HD1  ILE  38          HD12      ILE  38  -3.512  -2.826  -1.119
  312   3HD1  ILE  38          HD13      ILE  38  -2.687  -1.939   0.163
  313    H    TYR  39           HN       TYR  39   0.856  -6.116  -3.845
  314    HA   TYR  39           HA       TYR  39   1.142  -5.320  -6.594
  315   1HB   TYR  39          HB2       TYR  39   2.615  -7.030  -5.750
  316   2HB   TYR  39          HB3       TYR  39   1.259  -8.006  -5.214
  317    HD1  TYR  39           HD1      TYR  39   2.848  -6.637  -8.291
  318    HD2  TYR  39           HD2      TYR  39   0.402  -9.672  -6.588
  319    HE1  TYR  39           HE1      TYR  39   2.904  -7.872 -10.416
  320    HE2  TYR  39           HE2      TYR  39   0.449 -10.910  -8.707
  321    HH   TYR  39           HH       TYR  39   2.630 -10.254 -11.162
  322    H    SER  40           HN       SER  40  -0.834  -4.517  -7.123
  323    HA   SER  40           HA       SER  40  -2.773  -6.227  -8.193
  324   1HB   SER  40          HB2       SER  40  -3.344  -6.641  -5.798
  325   2HB   SER  40          HB3       SER  40  -3.573  -4.909  -5.570
  326    HG   SER  40           HG       SER  40  -5.426  -4.991  -6.618
  327    H    ARG  41           HN       ARG  41  -4.488  -4.959  -9.221
  328    HA   ARG  41           HA       ARG  41  -3.659  -2.308  -9.884
  329   1HB   ARG  41          HB2       ARG  41  -6.252  -3.725 -10.461
  330   2HB   ARG  41          HB3       ARG  41  -5.805  -2.179 -11.131
  331   1HG   ARG  41          HG2       ARG  41  -4.471  -4.821 -11.590
  332   2HG   ARG  41          HG3       ARG  41  -5.452  -3.904 -12.736
  333   1HD   ARG  41          HD2       ARG  41  -2.772  -3.162 -11.601
  334   2HD   ARG  41          HD3       ARG  41  -3.193  -3.554 -13.252
  335    HE   ARG  41           HE       ARG  41  -4.685  -1.440 -12.988
  336   1HH1  ARG  41          HH12      ARG  41  -1.439  -1.935 -11.772
  337   2HH1  ARG  41          HH11      ARG  41  -1.010  -0.250 -11.851
  338   1HH2  ARG  41          HH22      ARG  41  -4.149   0.769 -13.069
  339   2HH2  ARG  41          HH21      ARG  41  -2.562   1.300 -12.568
  340    HA   PRO  42           HA       PRO  42  -5.705   0.072  -6.797
  341   1HB   PRO  42          HB2       PRO  42  -6.679   2.157  -8.275
  342   2HB   PRO  42          HB3       PRO  42  -4.987   2.001  -7.795
  343   1HG   PRO  42          HG2       PRO  42  -6.285   1.344 -10.402
  344   2HG   PRO  42          HG3       PRO  42  -4.717   2.110 -10.092
  345   1HD   PRO  42          HD2       PRO  42  -4.953  -0.498 -10.771
  346   2HD   PRO  42          HD3       PRO  42  -3.673   0.095  -9.692
  347    H    GLU  43           HN       GLU  43  -7.445  -0.944  -9.654
  348    HA   GLU  43           HA       GLU  43  -9.974   0.065  -8.880
  349   1HB   GLU  43          HB2       GLU  43  -9.174  -2.070 -10.841
  350   2HB   GLU  43          HB3       GLU  43 -10.820  -1.511 -10.637
  351   1HG   GLU  43          HG2       GLU  43  -8.448   0.037 -11.619
  352   2HG   GLU  43          HG3       GLU  43  -9.929  -0.355 -12.489
  353    HA   PRO  44           HA       PRO  44 -10.891  -4.489  -7.350
  354   1HB   PRO  44          HB2       PRO  44  -8.648  -5.956  -6.770
  355   2HB   PRO  44          HB3       PRO  44  -9.549  -6.076  -8.283
  356   1HG   PRO  44          HG2       PRO  44  -7.053  -4.532  -7.680
  357   2HG   PRO  44          HG3       PRO  44  -7.449  -5.512  -9.105
  358   1HD   PRO  44          HD2       PRO  44  -7.632  -2.839  -9.160
  359   2HD   PRO  44          HD3       PRO  44  -8.791  -3.859 -10.013
  360    H    VAL  45           HN       VAL  45  -8.292  -2.464  -6.269
  361    HA   VAL  45           HA       VAL  45  -8.584  -3.292  -3.492
  362    HB   VAL  45           HB       VAL  45  -6.840  -1.143  -4.722
  363   1HG1  VAL  45          HG11      VAL  45  -7.410  -0.591  -2.409
  364   2HG1  VAL  45          HG12      VAL  45  -6.872  -2.189  -1.891
  365   3HG1  VAL  45          HG13      VAL  45  -5.711  -1.042  -2.558
  366   1HG2  VAL  45          HG21      VAL  45  -6.174  -3.387  -5.363
  367   2HG2  VAL  45          HG22      VAL  45  -5.004  -2.696  -4.237
  368   3HG2  VAL  45          HG23      VAL  45  -6.175  -3.889  -3.672
  369    H    LYS  46           HN       LYS  46  -9.424  -0.634  -5.614
  370    HA   LYS  46           HA       LYS  46 -10.565   1.042  -3.621
  371   1HB   LYS  46          HB2       LYS  46  -9.852   1.700  -5.964
  372   2HB   LYS  46          HB3       LYS  46 -11.310   0.913  -6.545
  373   1HG   LYS  46          HG2       LYS  46 -12.674   2.458  -5.255
  374   2HG   LYS  46          HG3       LYS  46 -11.214   3.240  -4.640
  375   1HD   LYS  46          HD2       LYS  46 -10.574   3.765  -6.972
  376   2HD   LYS  46          HD3       LYS  46 -12.113   3.097  -7.515
  377   1HE   LYS  46          HE2       LYS  46 -13.287   4.768  -6.146
  378   2HE   LYS  46          HE3       LYS  46 -11.732   5.448  -5.668
  379   1HZ   LYS  46          HZ1       LYS  46 -12.775   6.671  -7.496
  380   2HZ   LYS  46          HZ2       LYS  46 -12.725   5.280  -8.463
  381   3HZ   LYS  46          HZ3       LYS  46 -11.281   6.010  -7.950
  382    H    ALA  47           HN       ALA  47 -11.666  -1.652  -5.521
  383    HA   ALA  47           HA       ALA  47 -14.444  -1.396  -5.108
  384   1HB   ALA  47          HB1       ALA  47 -12.829  -3.894  -5.626
  385   2HB   ALA  47          HB2       ALA  47 -14.574  -3.722  -5.824
  386   3HB   ALA  47          HB3       ALA  47 -13.475  -2.809  -6.859
  387    H    ILE  48           HN       ILE  48 -11.909  -2.362  -3.013
  388    HA   ILE  48           HA       ILE  48 -13.367  -4.033  -1.249
  389    HB   ILE  48           HB       ILE  48 -11.025  -2.242  -0.541
  390   1HG1  ILE  48          HG12      ILE  48 -10.977  -5.126  -1.463
  391   2HG1  ILE  48          HG13      ILE  48 -10.631  -3.756  -2.515
  392   1HG2  ILE  48          HG21      ILE  48 -12.200  -3.144   1.393
  393   2HG2  ILE  48          HG22      ILE  48 -12.075  -4.772   0.727
  394   3HG2  ILE  48          HG23      ILE  48 -10.618  -3.905   1.215
  395   1HD1  ILE  48          HD11      ILE  48  -9.094  -4.478  -0.035
  396   2HD1  ILE  48          HD12      ILE  48  -8.602  -4.832  -1.692
  397   3HD1  ILE  48          HD13      ILE  48  -8.730  -3.160  -1.148
  398    H    CYS  49           HN       CYS  49 -13.006  -0.579  -1.617
  399    HA   CYS  49           HA       CYS  49 -14.491  -0.087   0.850
  400   1HB   CYS  49          HB2       CYS  49 -13.016   1.769  -1.019
  401   2HB   CYS  49          HB3       CYS  49 -13.809   2.265   0.470
  402    H    LYS  50           HN       LYS  50 -15.360  -0.828  -2.143
  403    HA   LYS  50           HA       LYS  50 -17.060   1.262  -2.971
  404   1HB   LYS  50          HB2       LYS  50 -16.381  -0.578  -4.468
  405   2HB   LYS  50          HB3       LYS  50 -17.338  -1.700  -3.509
  406   1HG   LYS  50          HG2       LYS  50 -19.367  -0.451  -4.077
  407   2HG   LYS  50          HG3       LYS  50 -18.403   0.652  -5.060
  408   1HD   LYS  50          HD2       LYS  50 -18.601  -2.322  -5.528
  409   2HD   LYS  50          HD3       LYS  50 -19.577  -1.115  -6.364
  410   1HE   LYS  50          HE2       LYS  50 -17.541  -0.086  -7.251
  411   2HE   LYS  50          HE3       LYS  50 -16.567  -1.295  -6.413
  412   1HZ   LYS  50          HZ1       LYS  50 -16.923  -1.826  -8.767
  413   2HZ   LYS  50          HZ2       LYS  50 -18.597  -1.902  -8.498
  414   3HZ   LYS  50          HZ3       LYS  50 -17.565  -3.015  -7.741
  415    H    GLY  51           HN       GLY  51 -18.804   2.011  -2.047
  416   1HA   GLY  51          HA1       GLY  51 -21.016   1.773  -1.246
  417   2HA   GLY  51          HA2       GLY  51 -20.603   0.176  -0.641
  418    H    ILE  52           HN       ILE  52 -18.093   2.197   0.145
  419    HA   ILE  52           HA       ILE  52 -19.212   2.583   2.852
  420    HB   ILE  52           HB       ILE  52 -16.278   2.495   2.193
  421   1HG1  ILE  52          HG12      ILE  52 -17.278   0.386   1.420
  422   2HG1  ILE  52          HG13      ILE  52 -16.254   0.138   2.824
  423   1HG2  ILE  52          HG21      ILE  52 -17.818   2.024   4.739
  424   2HG2  ILE  52          HG22      ILE  52 -16.065   1.913   4.560
  425   3HG2  ILE  52          HG23      ILE  52 -16.880   3.461   4.330
  426   1HD1  ILE  52          HD11      ILE  52 -19.255   0.274   2.842
  427   2HD1  ILE  52          HD12      ILE  52 -18.280  -1.192   2.937
  428   3HD1  ILE  52          HD13      ILE  52 -18.223  -0.009   4.245
  429    H    ILE  53           HN       ILE  53 -20.018   4.689   2.626
  430    HA   ILE  53           HA       ILE  53 -18.406   6.724   1.388
  431    HB   ILE  53           HB       ILE  53 -21.137   6.758   2.651
  432   1HG1  ILE  53          HG12      ILE  53 -21.853   7.333   0.389
  433   2HG1  ILE  53          HG13      ILE  53 -20.190   7.358  -0.159
  434   1HG2  ILE  53          HG21      ILE  53 -19.646   9.118   1.507
  435   2HG2  ILE  53          HG22      ILE  53 -21.335   9.109   2.013
  436   3HG2  ILE  53          HG23      ILE  53 -20.055   8.877   3.205
  437   1HD1  ILE  53          HD11      ILE  53 -21.674   4.938   0.825
  438   2HD1  ILE  53          HD12      ILE  53 -21.360   5.349  -0.863
  439   3HD1  ILE  53          HD13      ILE  53 -20.017   4.976   0.218
  440    H    ALA  54           HN       ALA  54 -19.578   6.064   4.691
  441    HA   ALA  54           HA       ALA  54 -18.000   8.254   5.755
  442   1HB   ALA  54          HB1       ALA  54 -20.173   7.702   6.761
  443   2HB   ALA  54          HB2       ALA  54 -19.552   6.117   7.217
  444   3HB   ALA  54          HB3       ALA  54 -18.860   7.574   7.931
  445    H    SER  55           HN       SER  55 -16.148   8.061   6.983
  446    HA   SER  55           HA       SER  55 -14.267   6.176   6.313
  447   1HB   SER  55          HB2       SER  55 -14.530   8.274   8.325
  448   2HB   SER  55          HB3       SER  55 -13.459   6.964   8.827
  449    HG   SER  55           HG       SER  55 -13.227   8.783   6.705
  450    H    LYS  56           HN       LYS  56 -14.230   4.106   6.600
  451    HA   LYS  56           HA       LYS  56 -15.073   2.951   9.167
  452   1HB   LYS  56          HB2       LYS  56 -16.951   2.844   7.543
  453   2HB   LYS  56          HB3       LYS  56 -15.921   1.942   6.447
  454   1HG   LYS  56          HG2       LYS  56 -15.760   0.143   8.131
  455   2HG   LYS  56          HG3       LYS  56 -16.886   1.044   9.154
  456   1HD   LYS  56          HD2       LYS  56 -18.536   0.984   7.308
  457   2HD   LYS  56          HD3       LYS  56 -17.422  -0.016   6.380
  458   1HE   LYS  56          HE2       LYS  56 -17.520  -1.730   8.141
  459   2HE   LYS  56          HE3       LYS  56 -18.664  -0.728   9.036
  460   1HZ   LYS  56          HZ1       LYS  56 -20.148  -0.857   7.060
  461   2HZ   LYS  56          HZ2       LYS  56 -19.892  -2.349   7.818
  462   3HZ   LYS  56          HZ3       LYS  56 -19.082  -1.982   6.375
  463    H    ASN  57           HN       ASN  57 -13.806   1.302   9.848
  464    HA   ASN  57           HA       ASN  57 -11.448   0.635   8.304
  465   1HB   ASN  57          HB2       ASN  57 -12.373  -0.332  11.024
  466   2HB   ASN  57          HB3       ASN  57 -10.798  -0.659  10.311
  467   1HD2  ASN  57          HD21      ASN  57  -9.242   0.898  10.359
  468   2HD2  ASN  57          HD22      ASN  57  -9.413   2.397  11.201
  469    H    VAL  58           HN       VAL  58 -11.644  -0.873   6.730
  470    HA   VAL  58           HA       VAL  58 -13.301  -3.229   7.342
  471    HB   VAL  58           HB       VAL  58 -14.074  -3.383   5.119
  472   1HG1  VAL  58          HG11      VAL  58 -15.293  -1.765   6.417
  473   2HG1  VAL  58          HG12      VAL  58 -14.171  -0.495   5.925
  474   3HG1  VAL  58          HG13      VAL  58 -15.221  -1.255   4.730
  475   1HG2  VAL  58          HG21      VAL  58 -12.221  -1.142   4.369
  476   2HG2  VAL  58          HG22      VAL  58 -12.010  -2.843   3.955
  477   3HG2  VAL  58          HG23      VAL  58 -13.373  -1.938   3.298
  478    H    LEU  59           HN       LEU  59 -12.417  -5.188   7.020
  479    HA   LEU  59           HA       LEU  59  -9.647  -5.288   6.105
  480   1HB   LEU  59          HB2       LEU  59 -10.178  -6.262   8.292
  481   2HB   LEU  59          HB3       LEU  59 -11.335  -7.341   7.532
  482    HG   LEU  59           HG       LEU  59  -9.409  -8.264   6.182
  483   1HD1  LEU  59          HD11      LEU  59  -7.782  -6.585   6.373
  484   2HD1  LEU  59          HD12      LEU  59  -7.896  -6.559   8.132
  485   3HD1  LEU  59          HD13      LEU  59  -7.176  -7.947   7.316
  486   1HD2  LEU  59          HD21      LEU  59 -10.354  -9.517   7.988
  487   2HD2  LEU  59          HD22      LEU  59  -8.598  -9.662   8.047
  488   3HD2  LEU  59          HD23      LEU  59  -9.431  -8.589   9.174
  489    H    THR  60           HN       THR  60  -8.979  -6.531   4.398
  490    HA   THR  60           HA       THR  60 -10.898  -7.431   2.486
  491    HB   THR  60           HB       THR  60  -8.950  -8.308   1.245
  492    HG1  THR  60           HG1      THR  60  -7.332  -8.909   2.479
  493   1HG2  THR  60          HG21      THR  60  -8.509  -5.553   2.399
  494   2HG2  THR  60          HG22      THR  60  -9.535  -5.950   1.019
  495   3HG2  THR  60          HG23      THR  60  -7.788  -6.175   0.914
  496    H    THR  61           HN       THR  61 -11.517  -9.479   1.981
  497    HA   THR  61           HA       THR  61 -11.484 -11.390   4.107
  498    HB   THR  61           HB       THR  61 -12.840 -12.745   2.449
  499    HG1  THR  61           HG1      THR  61 -12.468 -12.041   0.458
  500   1HG2  THR  61          HG21      THR  61 -13.737  -9.928   3.082
  501   2HG2  THR  61          HG22      THR  61 -13.919 -11.342   4.124
  502   3HG2  THR  61          HG23      THR  61 -14.803 -11.252   2.600
  503    H    SER  62           HN       SER  62  -9.657 -10.888   1.251
  504    HA   SER  62           HA       SER  62  -8.487 -13.579   1.458
  505   1HB   SER  62          HB2       SER  62  -8.648 -11.887  -1.044
  506   2HB   SER  62          HB3       SER  62  -8.127 -13.569  -0.926
  507    HG   SER  62           HG       SER  62 -10.453 -12.902  -1.565
  508    H    GLU  63           HN       GLU  63  -6.198 -13.722   0.846
  509    HA   GLU  63           HA       GLU  63  -4.742 -11.408   1.824
  510   1HB   GLU  63          HB2       GLU  63  -3.632 -14.076   0.927
  511   2HB   GLU  63          HB3       GLU  63  -2.776 -12.823   1.806
  512   1HG   GLU  63          HG2       GLU  63  -4.286 -13.121   3.708
  513   2HG   GLU  63          HG3       GLU  63  -5.109 -14.407   2.838
  514    H    PHE  64           HN       PHE  64  -3.508 -10.081   0.667
  515    HA   PHE  64           HA       PHE  64  -3.411 -10.509  -2.240
  516   1HB   PHE  64          HB2       PHE  64  -3.320  -7.998  -0.576
  517   2HB   PHE  64          HB3       PHE  64  -2.875  -8.013  -2.276
  518    HD1  PHE  64           HD1      PHE  64  -4.514  -8.030  -3.973
  519    HD2  PHE  64           HD2      PHE  64  -5.655  -8.583   0.089
  520    HE1  PHE  64           HE1      PHE  64  -6.876  -7.751  -4.600
  521    HE2  PHE  64           HE2      PHE  64  -8.018  -8.299  -0.532
  522    HZ   PHE  64           HZ       PHE  64  -8.630  -7.884  -2.878
  523    H    TYR  65           HN       TYR  65  -1.430  -9.550  -3.270
  524    HA   TYR  65           HA       TYR  65   0.869 -10.649  -1.879
  525   1HB   TYR  65          HB2       TYR  65   0.590  -9.563  -4.688
  526   2HB   TYR  65          HB3       TYR  65   2.023 -10.359  -4.043
  527    HD1  TYR  65           HD1      TYR  65  -1.283 -10.808  -5.439
  528    HD2  TYR  65           HD2      TYR  65   1.944 -12.769  -3.479
  529    HE1  TYR  65           HE1      TYR  65  -2.189 -12.979  -6.141
  530    HE2  TYR  65           HE2      TYR  65   1.041 -14.952  -4.173
  531    HH   TYR  65           HH       TYR  65  -1.064 -15.945  -4.872
  532    H    LEU  66           HN       LEU  66   1.788  -9.320  -0.472
  533    HA   LEU  66           HA       LEU  66   1.801  -6.449  -1.051
  534   1HB   LEU  66          HB2       LEU  66   2.385  -7.854   1.551
  535   2HB   LEU  66          HB3       LEU  66   2.138  -6.133   1.316
  536    HG   LEU  66           HG       LEU  66   0.046  -8.261   0.896
  537   1HD1  LEU  66          HD11      LEU  66  -0.996  -7.320   2.905
  538   2HD1  LEU  66          HD12      LEU  66   0.586  -8.025   3.240
  539   3HD1  LEU  66          HD13      LEU  66   0.406  -6.273   3.125
  540   1HD2  LEU  66          HD21      LEU  66  -0.312  -6.373  -0.567
  541   2HD2  LEU  66          HD22      LEU  66  -1.509  -6.367   0.726
  542   3HD2  LEU  66          HD23      LEU  66  -0.140  -5.255   0.788
  543    H    SER  67           HN       SER  67   3.654  -5.243  -0.972
  544    HA   SER  67           HA       SER  67   6.205  -6.678  -0.612
  545   1HB   SER  67          HB2       SER  67   5.691  -4.483  -2.638
  546   2HB   SER  67          HB3       SER  67   7.168  -5.424  -2.442
  547    HG   SER  67           HG       SER  67   6.310  -6.690  -3.860
  548    H    ASP  68           HN       ASP  68   7.046  -5.845   1.215
  549    HA   ASP  68           HA       ASP  68   6.395  -3.051   1.865
  550   1HB   ASP  68          HB2       ASP  68   5.659  -4.810   3.462
  551   2HB   ASP  68          HB3       ASP  68   7.346  -5.251   3.707
  552    H    CYS  69           HN       CYS  69   7.962  -1.645   1.446
  553    HA   CYS  69           HA       CYS  69  10.711  -2.599   1.277
  554   1HB   CYS  69          HB2       CYS  69   9.494   0.097   0.657
  555   2HB   CYS  69          HB3       CYS  69  11.177  -0.337   0.378
  556    H    ASN  70           HN       ASN  70  12.012  -2.522   2.954
  557    HA   ASN  70           HA       ASN  70  11.443  -0.568   5.098
  558   1HB   ASN  70          HB2       ASN  70  12.476  -3.403   5.289
  559   2HB   ASN  70          HB3       ASN  70  12.521  -2.257   6.621
  560   1HD2  ASN  70          HD21      ASN  70  10.413  -4.081   4.500
  561   2HD2  ASN  70          HD22      ASN  70   9.014  -3.997   5.519
  562    H    VAL  71           HN       VAL  71  13.143   0.377   6.141
  563    HA   VAL  71           HA       VAL  71  15.529   0.765   4.621
  564    HB   VAL  71           HB       VAL  71  14.432   2.514   6.009
  565   1HG1  VAL  71          HG11      VAL  71  15.522   0.962   8.345
  566   2HG1  VAL  71          HG12      VAL  71  14.793   2.566   8.420
  567   3HG1  VAL  71          HG13      VAL  71  13.820   1.175   7.935
  568   1HG2  VAL  71          HG21      VAL  71  16.472   3.504   6.900
  569   2HG2  VAL  71          HG22      VAL  71  17.295   1.948   6.765
  570   3HG2  VAL  71          HG23      VAL  71  16.749   2.788   5.312
  571    H    THR  72           HN       THR  72  17.596  -0.055   5.022
  572    HA   THR  72           HA       THR  72  17.603  -2.329   6.890
  573    HB   THR  72           HB       THR  72  19.367  -3.303   5.345
  574    HG1  THR  72           HG1      THR  72  18.258  -1.516   3.431
  575   1HG2  THR  72          HG21      THR  72  17.698  -4.181   3.783
  576   2HG2  THR  72          HG22      THR  72  16.579  -2.901   4.257
  577   3HG2  THR  72          HG23      THR  72  17.065  -4.126   5.430
  578    H    SER  73           HN       SER  73  20.537  -1.641   5.278
  579    HA   SER  73           HA       SER  73  21.766  -1.264   7.883
  580   1HB   SER  73          HB2       SER  73  23.123  -1.691   5.244
  581   2HB   SER  73          HB3       SER  73  23.803  -1.945   6.847
  582    HG   SER  73           HG       SER  73  23.203  -3.940   6.165
  583    H    ARG  74           HN       ARG  74  20.711   0.644   5.384
  584    HA   ARG  74           HA       ARG  74  22.350   2.868   6.301
  585   1HB   ARG  74          HB2       ARG  74  22.276   1.775   3.536
  586   2HB   ARG  74          HB3       ARG  74  22.301   3.526   3.714
  587   1HG   ARG  74          HG2       ARG  74  24.352   3.401   4.979
  588   2HG   ARG  74          HG3       ARG  74  24.315   1.636   4.910
  589   1HD   ARG  74          HD2       ARG  74  24.703   1.615   2.586
  590   2HD   ARG  74          HD3       ARG  74  24.330   3.330   2.428
  591    HE   ARG  74           HE       ARG  74  26.417   3.767   3.658
  592   1HH1  ARG  74          HH12      ARG  74  26.010   0.638   2.121
  593   2HH1  ARG  74          HH11      ARG  74  27.724   0.364   1.953
  594   1HH2  ARG  74          HH22      ARG  74  28.655   3.413   3.439
  595   2HH2  ARG  74          HH21      ARG  74  29.230   1.934   2.717
  596    HA   PRO  75           HA       PRO  75  18.480   4.957   6.210
  597   1HB   PRO  75          HB2       PRO  75  19.333   7.534   5.894
  598   2HB   PRO  75          HB3       PRO  75  19.411   6.659   7.427
  599   1HG   PRO  75          HG2       PRO  75  21.567   7.201   5.438
  600   2HG   PRO  75          HG3       PRO  75  21.651   7.170   7.209
  601   1HD   PRO  75          HD2       PRO  75  22.518   5.133   5.613
  602   2HD   PRO  75          HD3       PRO  75  21.941   4.897   7.273
  603    H    CYS  76           HN       CYS  76  17.026   5.251   4.665
  604    HA   CYS  76           HA       CYS  76  16.068   5.409   2.631
  605   1HB   CYS  76          HB2       CYS  76  17.049   7.737   2.771
  606   2HB   CYS  76          HB3       CYS  76  18.395   7.155   1.800
  607    H    LYS  77           HN       LYS  77  18.158   3.392   3.274
  608    HA   LYS  77           HA       LYS  77  18.425   2.390   0.514
  609   1HB   LYS  77          HB2       LYS  77  20.244   2.068   2.885
  610   2HB   LYS  77          HB3       LYS  77  20.205   0.840   1.626
  611   1HG   LYS  77          HG2       LYS  77  20.663   3.740   1.014
  612   2HG   LYS  77          HG3       LYS  77  21.978   2.635   1.421
  613   1HD   LYS  77          HD2       LYS  77  21.702   1.389  -0.508
  614   2HD   LYS  77          HD3       LYS  77  20.024   1.890  -0.713
  615   1HE   LYS  77          HE2       LYS  77  22.392   3.725  -1.043
  616   2HE   LYS  77          HE3       LYS  77  21.604   2.877  -2.374
  617   1HZ   LYS  77          HZ1       LYS  77  20.309   4.837  -0.558
  618   2HZ   LYS  77          HZ2       LYS  77  19.533   4.001  -1.811
  619   3HZ   LYS  77          HZ3       LYS  77  20.762   5.122  -2.164
  620    H    TYR  78           HN       TYR  78  17.379   0.471   0.097
  621    HA   TYR  78           HA       TYR  78  15.895  -0.601   2.400
  622   1HB   TYR  78          HB2       TYR  78  14.691   0.139  -0.267
  623   2HB   TYR  78          HB3       TYR  78  13.832  -0.514   1.126
  624    HD1  TYR  78           HD1      TYR  78  13.774   0.850   3.242
  625    HD2  TYR  78           HD2      TYR  78  15.059   2.449  -0.481
  626    HE1  TYR  78           HE1      TYR  78  13.443   3.119   4.113
  627    HE2  TYR  78           HE2      TYR  78  14.725   4.728   0.379
  628    HH   TYR  78           HH       TYR  78  14.244   5.379   3.683
  629    H    LYS  79           HN       LYS  79  14.941  -2.614   2.166
  630    HA   LYS  79           HA       LYS  79  15.697  -4.199  -0.183
  631   1HB   LYS  79          HB2       LYS  79  17.130  -4.777   1.790
  632   2HB   LYS  79          HB3       LYS  79  15.675  -5.207   2.673
  633   1HG   LYS  79          HG2       LYS  79  15.283  -7.086   1.357
  634   2HG   LYS  79          HG3       LYS  79  16.364  -6.528   0.078
  635   1HD   LYS  79          HD2       LYS  79  17.413  -8.328   1.324
  636   2HD   LYS  79          HD3       LYS  79  18.281  -6.819   1.599
  637   1HE   LYS  79          HE2       LYS  79  18.083  -7.950   3.694
  638   2HE   LYS  79          HE3       LYS  79  17.003  -6.557   3.727
  639   1HZ   LYS  79          HZ1       LYS  79  15.137  -7.968   3.335
  640   2HZ   LYS  79          HZ2       LYS  79  16.013  -8.612   4.634
  641   3HZ   LYS  79          HZ3       LYS  79  16.131  -9.324   3.098
  642    H    LEU  80           HN       LEU  80  14.134  -5.805  -0.752
  643    HA   LEU  80           HA       LEU  80  11.473  -4.830  -0.162
  644   1HB   LEU  80          HB2       LEU  80  12.450  -5.395  -2.464
  645   2HB   LEU  80          HB3       LEU  80  12.213  -7.072  -2.026
  646    HG   LEU  80           HG       LEU  80  10.440  -5.797  -3.463
  647   1HD1  LEU  80          HD11      LEU  80   8.701  -7.259  -2.649
  648   2HD1  LEU  80          HD12      LEU  80  10.245  -8.111  -2.706
  649   3HD1  LEU  80          HD13      LEU  80   9.609  -7.541  -1.162
  650   1HD2  LEU  80          HD21      LEU  80   9.623  -5.042  -0.672
  651   2HD2  LEU  80          HD22      LEU  80  10.120  -3.939  -1.954
  652   3HD2  LEU  80          HD23      LEU  80   8.628  -4.865  -2.117
  653    H    LYS  81           HN       LYS  81   9.751  -6.077   0.553
  654    HA   LYS  81           HA       LYS  81  10.441  -8.565   1.978
  655   1HB   LYS  81          HB2       LYS  81  10.330  -6.846   3.650
  656   2HB   LYS  81          HB3       LYS  81   8.858  -6.189   2.961
  657   1HG   LYS  81          HG2       LYS  81   7.707  -8.316   3.596
  658   2HG   LYS  81          HG3       LYS  81   9.177  -8.777   4.458
  659   1HD   LYS  81          HD2       LYS  81   8.997  -6.855   5.897
  660   2HD   LYS  81          HD3       LYS  81   7.631  -6.238   4.968
  661   1HE   LYS  81          HE2       LYS  81   6.339  -8.245   5.613
  662   2HE   LYS  81          HE3       LYS  81   7.693  -8.767   6.615
  663   1HZ   LYS  81          HZ1       LYS  81   7.456  -6.710   7.901
  664   2HZ   LYS  81          HZ2       LYS  81   6.048  -7.649   7.957
  665   3HZ   LYS  81          HZ3       LYS  81   6.110  -6.273   6.967
  666    H    LYS  82           HN       LYS  82   9.314 -10.149   1.086
  667    HA   LYS  82           HA       LYS  82   6.807  -9.543  -0.292
  668   1HB   LYS  82          HB2       LYS  82   8.479 -12.059  -0.269
  669   2HB   LYS  82          HB3       LYS  82   7.091 -11.752  -1.305
  670   1HG   LYS  82          HG2       LYS  82   8.242 -10.049  -2.486
  671   2HG   LYS  82          HG3       LYS  82   9.573 -10.062  -1.326
  672   1HD   LYS  82          HD2       LYS  82  10.152 -12.330  -1.989
  673   2HD   LYS  82          HD3       LYS  82   8.800 -12.354  -3.118
  674   1HE   LYS  82          HE2       LYS  82   9.799 -10.607  -4.434
  675   2HE   LYS  82          HE3       LYS  82  11.087 -10.398  -3.248
  676   1HZ   LYS  82          HZ1       LYS  82  11.802 -11.688  -5.172
  677   2HZ   LYS  82          HZ2       LYS  82  10.618 -12.860  -4.846
  678   3HZ   LYS  82          HZ3       LYS  82  11.886 -12.601  -3.745
  679    H    SER  83           HN       SER  83   4.914  -9.957   0.626
  680    HA   SER  83           HA       SER  83   4.601 -12.359   2.234
  681   1HB   SER  83          HB2       SER  83   3.810  -9.618   3.259
  682   2HB   SER  83          HB3       SER  83   3.452 -11.153   4.051
  683    HG   SER  83           HG       SER  83   6.055 -11.089   3.556
  684    H    THR  84           HN       THR  84   2.663 -13.321   1.867
  685    HA   THR  84           HA       THR  84   0.633 -11.805   0.384
  686    HB   THR  84           HB       THR  84   0.467 -14.747   0.999
  687    HG1  THR  84           HG1      THR  84   2.103 -15.126  -0.295
  688   1HG2  THR  84          HG21      THR  84  -0.487 -13.065  -1.328
  689   2HG2  THR  84          HG22      THR  84  -1.486 -13.638   0.008
  690   3HG2  THR  84          HG23      THR  84  -0.771 -14.794  -1.115
  691    H    ASN  85           HN       ASN  85  -0.857 -10.843   1.632
  692    HA   ASN  85           HA       ASN  85  -2.039 -12.222   3.868
  693   1HB   ASN  85          HB2       ASN  85   0.208 -10.992   4.591
  694   2HB   ASN  85          HB3       ASN  85  -0.857  -9.603   4.587
  695   1HD2  ASN  85          HD21      ASN  85   0.486 -10.793   6.823
  696   2HD2  ASN  85          HD22      ASN  85  -0.741 -11.275   7.938
  697    H    LYS  86           HN       LYS  86  -3.847 -11.096   4.734
  698    HA   LYS  86           HA       LYS  86  -5.208  -9.398   2.869
  699   1HB   LYS  86          HB2       LYS  86  -6.022  -9.848   5.732
  700   2HB   LYS  86          HB3       LYS  86  -7.050  -9.589   4.327
  701   1HG   LYS  86          HG2       LYS  86  -6.325 -11.800   3.464
  702   2HG   LYS  86          HG3       LYS  86  -5.453 -12.052   4.975
  703   1HD   LYS  86          HD2       LYS  86  -7.574 -11.803   6.200
  704   2HD   LYS  86          HD3       LYS  86  -8.409 -11.631   4.658
  705   1HE   LYS  86          HE2       LYS  86  -7.692 -13.846   3.986
  706   2HE   LYS  86          HE3       LYS  86  -6.779 -14.024   5.481
  707   1HZ   LYS  86          HZ1       LYS  86  -8.886 -15.172   5.613
  708   2HZ   LYS  86          HZ2       LYS  86  -9.728 -13.738   5.267
  709   3HZ   LYS  86          HZ3       LYS  86  -8.859 -13.883   6.715
  710    H    PHE  87           HN       PHE  87  -6.237  -7.284   3.891
  711    HA   PHE  87           HA       PHE  87  -4.605  -6.065   5.919
  712   1HB   PHE  87          HB2       PHE  87  -4.002  -4.079   4.509
  713   2HB   PHE  87          HB3       PHE  87  -3.152  -5.566   4.112
  714    HD1  PHE  87           HD1      PHE  87  -3.274  -6.496   1.962
  715    HD2  PHE  87           HD2      PHE  87  -5.868  -3.298   3.030
  716    HE1  PHE  87           HE1      PHE  87  -3.921  -6.236  -0.395
  717    HE2  PHE  87           HE2      PHE  87  -6.528  -3.038   0.672
  718    HZ   PHE  87           HZ       PHE  87  -5.550  -4.512  -1.048
  719    H    CYS  88           HN       CYS  88  -5.493  -4.243   6.847
  720    HA   CYS  88           HA       CYS  88  -8.326  -3.874   6.190
  721   1HB   CYS  88          HB2       CYS  88  -7.456  -4.419   8.595
  722   2HB   CYS  88          HB3       CYS  88  -6.941  -2.741   8.615
  723    H    VAL  89           HN       VAL  89  -8.975  -2.070   5.206
  724    HA   VAL  89           HA       VAL  89  -7.094   0.197   5.128
  725    HB   VAL  89           HB       VAL  89  -8.308   0.844   2.985
  726   1HG1  VAL  89          HG11      VAL  89  -6.707  -1.713   3.020
  727   2HG1  VAL  89          HG12      VAL  89  -6.983  -0.697   1.607
  728   3HG1  VAL  89          HG13      VAL  89  -6.060  -0.075   2.974
  729   1HG2  VAL  89          HG21      VAL  89  -9.408  -0.991   1.749
  730   2HG2  VAL  89          HG22      VAL  89  -9.272  -2.013   3.181
  731   3HG2  VAL  89          HG23      VAL  89 -10.278  -0.565   3.224
  732    H    THR  90           HN       THR  90  -7.918   2.289   5.365
  733    HA   THR  90           HA       THR  90 -10.495   2.407   6.712
  734    HB   THR  90           HB       THR  90  -8.549   4.668   6.186
  735    HG1  THR  90           HG1      THR  90  -8.356   2.574   7.862
  736   1HG2  THR  90          HG21      THR  90  -9.723   5.777   8.029
  737   2HG2  THR  90          HG22      THR  90 -10.809   4.395   8.174
  738   3HG2  THR  90          HG23      THR  90 -10.836   5.387   6.717
  739    H    CYS  91           HN       CYS  91 -12.189   2.465   5.361
  740    HA   CYS  91           HA       CYS  91 -11.873   3.693   2.734
  741   1HB   CYS  91          HB2       CYS  91 -14.150   2.081   3.888
  742   2HB   CYS  91          HB3       CYS  91 -13.967   2.561   2.202
  743    H    GLU  92           HN       GLU  92 -12.676   5.587   2.177
  744    HA   GLU  92           HA       GLU  92 -15.111   6.559   3.452
  745   1HB   GLU  92          HB2       GLU  92 -12.848   7.549   4.451
  746   2HB   GLU  92          HB3       GLU  92 -12.962   8.570   3.029
  747   1HG   GLU  92          HG2       GLU  92 -15.335   9.092   3.798
  748   2HG   GLU  92          HG3       GLU  92 -14.877   8.344   5.317
  749    H    ASN  93           HN       ASN  93 -16.434   7.572   2.010
  750    HA   ASN  93           HA       ASN  93 -17.327   8.134  -0.006
  751   1HB   ASN  93          HB2       ASN  93 -14.522   9.042  -0.710
  752   2HB   ASN  93          HB3       ASN  93 -16.011   9.520  -1.519
  753   1HD2  ASN  93          HD21      ASN  93 -13.961   9.976   1.197
  754   2HD2  ASN  93          HD22      ASN  93 -14.789  11.334   1.873
  755    H    GLN  94           HN       GLN  94 -16.187   5.530   0.448
  756    HA   GLN  94           HA       GLN  94 -16.044   3.555  -0.615
  757   1HB   GLN  94          HB2       GLN  94 -16.651   5.046  -3.165
  758   2HB   GLN  94          HB3       GLN  94 -16.806   3.316  -2.889
  759   1HG   GLN  94          HG2       GLN  94 -18.483   3.906  -1.083
  760   2HG   GLN  94          HG3       GLN  94 -18.469   5.536  -1.756
  761   1HE2  GLN  94          HE21      GLN  94 -17.981   4.342  -4.450
  762   2HE2  GLN  94          HE22      GLN  94 -19.540   3.808  -4.971
  763    H    ALA  95           HN       ALA  95 -13.783   5.569  -0.499
  764    HA   ALA  95           HA       ALA  95 -12.025   4.038  -2.291
  765   1HB   ALA  95          HB1       ALA  95 -11.829   7.008  -1.782
  766   2HB   ALA  95          HB2       ALA  95 -10.734   6.047  -2.774
  767   3HB   ALA  95          HB3       ALA  95 -12.413   6.256  -3.267
  768    HA   PRO  96           HA       PRO  96  -9.611   3.376   1.433
  769   1HB   PRO  96          HB2       PRO  96  -7.456   2.803  -0.493
  770   2HB   PRO  96          HB3       PRO  96  -8.141   1.771   0.763
  771   1HG   PRO  96          HG2       PRO  96  -8.600   1.364  -1.867
  772   2HG   PRO  96          HG3       PRO  96  -9.778   0.959  -0.612
  773   1HD   PRO  96          HD2       PRO  96  -9.758   3.232  -2.518
  774   2HD   PRO  96          HD3       PRO  96 -11.126   2.347  -1.827
  775    H    VAL  97           HN       VAL  97  -9.177   5.368   2.310
  776    HA   VAL  97           HA       VAL  97  -7.303   7.111   0.866
  777    HB   VAL  97           HB       VAL  97  -8.083   8.919   2.371
  778   1HG1  VAL  97          HG11      VAL  97  -9.105   8.646   0.184
  779   2HG1  VAL  97          HG12      VAL  97 -10.254   7.483   0.845
  780   3HG1  VAL  97          HG13      VAL  97 -10.311   9.169   1.360
  781   1HG2  VAL  97          HG21      VAL  97 -10.057   6.847   3.319
  782   2HG2  VAL  97          HG22      VAL  97  -8.745   7.541   4.271
  783   3HG2  VAL  97          HG23      VAL  97 -10.083   8.561   3.736
  784    H    HIS  98           HN       HIS  98  -7.551   5.077   3.579
  785    HA   HIS  98           HA       HIS  98  -4.888   5.913   4.437
  786   1HB   HIS  98          HB2       HIS  98  -7.332   5.847   6.182
  787   2HB   HIS  98          HB3       HIS  98  -5.749   5.513   6.868
  788    HD1  HIS  98           HD1      HIS  98  -4.035   7.485   6.907
  789    HD2  HIS  98           HD2      HIS  98  -7.852   8.522   5.623
  790    HE1  HIS  98           HE1      HIS  98  -4.134   9.997   7.035
  791    HE2  HIS  98           HE2      HIS  98  -6.532  10.570   6.493
  792    H    PHE  99           HN       PHE  99  -3.665   4.277   5.393
  793    HA   PHE  99           HA       PHE  99  -4.770   1.585   4.972
  794   1HB   PHE  99          HB2       PHE  99  -2.719   2.301   3.669
  795   2HB   PHE  99          HB3       PHE  99  -1.854   2.351   5.201
  796    HD1  PHE  99           HD1      PHE  99  -0.905   0.430   6.092
  797    HD2  PHE  99           HD2      PHE  99  -3.768   0.093   2.963
  798    HE1  PHE  99           HE1      PHE  99  -0.403  -1.969   5.902
  799    HE2  PHE  99           HE2      PHE  99  -3.278  -2.310   2.767
  800    HZ   PHE  99           HZ       PHE  99  -1.610  -3.346   4.205
  801    H    VAL 100           HN       VAL 100  -4.974   0.222   6.659
  802    HA   VAL 100           HA       VAL 100  -4.359   1.305   9.297
  803    HB   VAL 100           HB       VAL 100  -5.957  -1.141   8.516
  804   1HG1  VAL 100          HG11      VAL 100  -5.064  -1.395  10.737
  805   2HG1  VAL 100          HG12      VAL 100  -5.626   0.215  11.188
  806   3HG1  VAL 100          HG13      VAL 100  -6.791  -1.061  10.836
  807   1HG2  VAL 100          HG21      VAL 100  -7.930   0.177   8.989
  808   2HG2  VAL 100          HG22      VAL 100  -6.935   1.563   9.437
  809   3HG2  VAL 100          HG23      VAL 100  -6.957   0.995   7.769
  810    H    GLY 101           HN       GLY 101  -4.152  -1.939   7.832
  811   1HA   GLY 101          HA1       GLY 101  -1.424  -2.353   8.275
  812   2HA   GLY 101          HA2       GLY 101  -2.288  -2.946   9.690
  813    H    VAL 102           HN       VAL 102  -1.031  -4.903   8.559
  814    HA   VAL 102           HA       VAL 102  -2.790  -6.034   6.499
  815    HB   VAL 102           HB       VAL 102  -1.077  -7.300   5.660
  816   1HG1  VAL 102          HG11      VAL 102   0.930  -5.899   5.471
  817   2HG1  VAL 102          HG12      VAL 102  -0.559  -4.976   5.272
  818   3HG1  VAL 102          HG13      VAL 102   0.332  -4.893   6.791
  819   1HG2  VAL 102          HG21      VAL 102   0.929  -7.996   6.816
  820   2HG2  VAL 102          HG22      VAL 102   0.477  -7.032   8.226
  821   3HG2  VAL 102          HG23      VAL 102  -0.499  -8.426   7.759
  822    H    GLY 103           HN       GLY 103  -3.358  -8.260   6.611
  823   1HA   GLY 103          HA1       GLY 103  -3.841 -10.254   7.737
  824   2HA   GLY 103          HA2       GLY 103  -3.181  -9.566   9.216
  825    H    SER 104           HN       SER 104  -4.448  -7.667  10.054
  826    HA   SER 104           HA       SER 104  -7.219  -7.415   9.422
  827   1HB   SER 104          HB2       SER 104  -7.886  -8.095  11.809
  828   2HB   SER 104          HB3       SER 104  -7.527  -9.398  10.680
  829    HG   SER 104           HG       SER 104  -5.668  -9.810  11.693
  830    H    CYS 105           HN       CYS 105  -8.220  -5.774  10.973
  831    HA   CYS 105           HA       CYS 105  -6.147  -3.892  11.761
  832   1HB   CYS 105          HB2       CYS 105  -8.470  -2.587  12.258
  833   2HB   CYS 105          HB3       CYS 105  -7.565  -2.511  10.757
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1  -2.888  14.129   4.275
    2   2H    MET   1           H2       MET   1  -4.402  14.681   3.755
    3   3H    MET   1           H3       MET   1  -3.189  15.792   4.155
    4    HA   MET   1           HA       MET   1  -3.406  15.644   1.779
    5   1HB   MET   1          HB2       MET   1  -1.085  15.178   1.227
    6   2HB   MET   1          HB3       MET   1  -1.166  16.028   2.763
    7   1HG   MET   1          HG2       MET   1  -0.625  14.109   3.989
    8   2HG   MET   1          HG3       MET   1  -0.994  13.040   2.639
    9   1HE   MET   1          HE1       MET   1   1.034  16.388   2.408
   10   2HE   MET   1          HE2       MET   1   1.512  15.772   3.990
   11   3HE   MET   1          HE3       MET   1   2.685  15.829   2.674
   12    H    GLN   2           HN       GLN   2  -4.030  12.752   3.294
   13    HA   GLN   2           HA       GLN   2  -3.223  11.156   0.972
   14   1HB   GLN   2          HB2       GLN   2  -2.475  10.496   3.292
   15   2HB   GLN   2          HB3       GLN   2  -4.156  10.101   3.631
   16   1HG   GLN   2          HG2       GLN   2  -4.170   8.412   1.938
   17   2HG   GLN   2          HG3       GLN   2  -2.563   8.884   1.390
   18   1HE2  GLN   2          HE21      GLN   2  -4.395   7.279   3.852
   19   2HE2  GLN   2          HE22      GLN   2  -3.056   6.493   4.631
   20    H    ASP   3           HN       ASP   3  -4.627  10.620  -0.434
   21    HA   ASP   3           HA       ASP   3  -7.406  10.059   0.298
   22   1HB   ASP   3          HB2       ASP   3  -8.288  11.387  -1.476
   23   2HB   ASP   3          HB3       ASP   3  -7.126  12.428  -0.657
   24    H    TRP   4           HN       TRP   4  -8.338   9.313  -2.174
   25    HA   TRP   4           HA       TRP   4  -7.204   6.783  -2.488
   26   1HB   TRP   4          HB2       TRP   4  -9.488   7.186  -3.165
   27   2HB   TRP   4          HB3       TRP   4  -8.965   8.340  -4.390
   28    HD1  TRP   4           HD1      TRP   4  -9.175   7.301  -6.716
   29    HE1  TRP   4           HE1      TRP   4  -8.758   4.978  -7.760
   30    HE3  TRP   4           HE3      TRP   4  -7.797   4.764  -2.498
   31    HZ2  TRP   4           HZ2      TRP   4  -7.949   2.419  -6.889
   32    HZ3  TRP   4           HZ3      TRP   4  -7.230   2.376  -2.685
   33    HH2  TRP   4           HH2      TRP   4  -7.297   1.233  -4.839
   34    H    LEU   5           HN       LEU   5  -6.728   9.721  -4.439
   35    HA   LEU   5           HA       LEU   5  -5.190   8.453  -6.442
   36   1HB   LEU   5          HB2       LEU   5  -5.433  11.334  -5.596
   37   2HB   LEU   5          HB3       LEU   5  -4.427  10.830  -6.939
   38    HG   LEU   5           HG       LEU   5  -6.529  11.665  -7.775
   39   1HD1  LEU   5          HD11      LEU   5  -6.428   8.667  -8.000
   40   2HD1  LEU   5          HD12      LEU   5  -7.272   9.764  -9.094
   41   3HD1  LEU   5          HD13      LEU   5  -5.512   9.811  -8.981
   42   1HD2  LEU   5          HD21      LEU   5  -7.929  11.311  -5.825
   43   2HD2  LEU   5          HD22      LEU   5  -8.666  10.589  -7.256
   44   3HD2  LEU   5          HD23      LEU   5  -7.854   9.567  -6.071
   45    H    THR   6           HN       THR   6  -4.332  10.087  -3.445
   46    HA   THR   6           HA       THR   6  -1.509   9.882  -3.851
   47    HB   THR   6           HB       THR   6  -2.992  10.289  -1.246
   48    HG1  THR   6           HG1      THR   6  -3.666  11.995  -2.399
   49   1HG2  THR   6          HG21      THR   6  -0.206  11.062  -2.119
   50   2HG2  THR   6          HG22      THR   6  -0.614   9.769  -0.991
   51   3HG2  THR   6          HG23      THR   6  -0.943  11.449  -0.564
   52    H    PHE   7           HN       PHE   7  -3.957   8.004  -2.163
   53    HA   PHE   7           HA       PHE   7  -2.337   6.178  -0.802
   54   1HB   PHE   7          HB2       PHE   7  -4.804   6.458  -0.514
   55   2HB   PHE   7          HB3       PHE   7  -5.049   5.684  -2.072
   56    HD1  PHE   7           HD1      PHE   7  -4.393   5.195   1.450
   57    HD2  PHE   7           HD2      PHE   7  -4.505   3.287  -2.354
   58    HE1  PHE   7           HE1      PHE   7  -4.441   2.997   2.557
   59    HE2  PHE   7           HE2      PHE   7  -4.569   1.085  -1.252
   60    HZ   PHE   7           HZ       PHE   7  -4.588   0.950   1.223
   61    H    GLN   8           HN       GLN   8  -3.606   6.158  -4.093
   62    HA   GLN   8           HA       GLN   8  -2.813   3.646  -4.929
   63   1HB   GLN   8          HB2       GLN   8  -3.260   6.257  -6.275
   64   2HB   GLN   8          HB3       GLN   8  -2.492   4.966  -7.177
   65   1HG   GLN   8          HG2       GLN   8  -4.421   3.522  -6.738
   66   2HG   GLN   8          HG3       GLN   8  -5.178   4.827  -5.826
   67   1HE2  GLN   8          HE21      GLN   8  -6.002   6.598  -6.920
   68   2HE2  GLN   8          HE22      GLN   8  -6.294   6.583  -8.629
   69    H    LYS   9           HN       LYS   9  -1.049   6.681  -5.536
   70    HA   LYS   9           HA       LYS   9   1.185   5.640  -6.761
   71   1HB   LYS   9          HB2       LYS   9   1.265   7.946  -4.816
   72   2HB   LYS   9          HB3       LYS   9   2.282   7.696  -6.228
   73   1HG   LYS   9          HG2       LYS   9   0.570   8.253  -7.707
   74   2HG   LYS   9          HG3       LYS   9  -0.682   8.055  -6.479
   75   1HD   LYS   9          HD2       LYS   9   0.327   9.984  -5.260
   76   2HD   LYS   9          HD3       LYS   9   1.400  10.227  -6.639
   77   1HE   LYS   9          HE2       LYS   9  -1.613  10.334  -6.681
   78   2HE   LYS   9          HE3       LYS   9  -0.528  11.719  -6.759
   79   1HZ   LYS   9          HZ1       LYS   9  -0.786   9.559  -8.782
   80   2HZ   LYS   9          HZ2       LYS   9   0.360  10.809  -8.848
   81   3HZ   LYS   9          HZ3       LYS   9  -1.294  11.169  -8.947
   82    H    LYS  10           HN       LYS  10   0.432   5.848  -3.373
   83    HA   LYS  10           HA       LYS  10   3.183   5.254  -2.626
   84   1HB   LYS  10          HB2       LYS  10   0.831   6.051  -0.910
   85   2HB   LYS  10          HB3       LYS  10   2.493   5.889  -0.359
   86   1HG   LYS  10          HG2       LYS  10   3.173   7.672  -1.901
   87   2HG   LYS  10          HG3       LYS  10   1.501   7.838  -2.431
   88   1HD   LYS  10          HD2       LYS  10   1.852   9.568  -0.865
   89   2HD   LYS  10          HD3       LYS  10   0.930   8.332  -0.008
   90   1HE   LYS  10          HE2       LYS  10   2.876   7.562   1.131
   91   2HE   LYS  10          HE3       LYS  10   3.931   8.554   0.123
   92   1HZ   LYS  10          HZ1       LYS  10   3.564   9.518   2.327
   93   2HZ   LYS  10          HZ2       LYS  10   1.899   9.612   2.023
   94   3HZ   LYS  10          HZ3       LYS  10   2.986  10.535   1.100
   95    H    HIS  11           HN       HIS  11   0.409   3.427  -3.178
   96    HA   HIS  11           HA       HIS  11   1.531   1.286  -1.513
   97   1HB   HIS  11          HB2       HIS  11  -1.296   2.285  -1.338
   98   2HB   HIS  11          HB3       HIS  11  -0.865   0.646  -0.866
   99    HD1  HIS  11           HD1      HIS  11   1.157   0.576   1.031
  100    HD2  HIS  11           HD2      HIS  11  -1.038   4.096   0.656
  101    HE1  HIS  11           HE1      HIS  11   1.512   1.829   3.185
  102    HE2  HIS  11           HE2      HIS  11   0.071   3.888   2.987
  103    H    ILE  12           HN       ILE  12   0.069   2.196  -4.453
  104    HA   ILE  12           HA       ILE  12  -0.732  -0.574  -5.014
  105    HB   ILE  12           HB       ILE  12  -1.298   1.952  -6.582
  106   1HG1  ILE  12          HG12      ILE  12  -2.532   1.910  -4.493
  107   2HG1  ILE  12          HG13      ILE  12  -3.630   1.608  -5.831
  108   1HG2  ILE  12          HG21      ILE  12  -2.268  -0.864  -7.001
  109   2HG2  ILE  12          HG22      ILE  12  -2.857   0.555  -7.867
  110   3HG2  ILE  12          HG23      ILE  12  -1.180   0.041  -8.053
  111   1HD1  ILE  12          HD11      ILE  12  -4.131   0.187  -3.937
  112   2HD1  ILE  12          HD12      ILE  12  -3.597  -0.775  -5.315
  113   3HD1  ILE  12          HD13      ILE  12  -2.494  -0.469  -3.974
  114    H    THR  13           HN       THR  13   0.760  -1.820  -5.944
  115    HA   THR  13           HA       THR  13   2.409  -0.610  -8.051
  116    HB   THR  13           HB       THR  13   3.791  -0.997  -6.004
  117    HG1  THR  13           HG1      THR  13   4.525  -1.264  -8.330
  118   1HG2  THR  13          HG21      THR  13   3.132  -3.895  -6.536
  119   2HG2  THR  13          HG22      THR  13   2.725  -2.967  -5.092
  120   3HG2  THR  13          HG23      THR  13   4.414  -3.336  -5.456
  121    H    ASN  14           HN       ASN  14   2.961  -1.997  -9.781
  122    HA   ASN  14           HA       ASN  14   1.163  -4.316 -10.005
  123   1HB   ASN  14          HB2       ASN  14   1.479  -3.997 -12.501
  124   2HB   ASN  14          HB3       ASN  14   0.567  -2.743 -11.678
  125   1HD2  ASN  14          HD21      ASN  14   3.569  -3.544 -13.264
  126   2HD2  ASN  14          HD22      ASN  14   4.118  -1.913 -13.463
  127    H    THR  15           HN       THR  15   3.885  -4.171  -8.836
  128    HA   THR  15           HA       THR  15   4.965  -6.448 -10.316
  129    HB   THR  15           HB       THR  15   6.287  -4.555 -11.093
  130    HG1  THR  15           HG1      THR  15   8.385  -5.290  -9.950
  131   1HG2  THR  15          HG21      THR  15   6.867  -4.033  -8.178
  132   2HG2  THR  15          HG22      THR  15   5.942  -2.998  -9.265
  133   3HG2  THR  15          HG23      THR  15   7.668  -3.238  -9.533
  134    H    ARG  16           HN       ARG  16   6.154  -7.921  -9.005
  135    HA   ARG  16           HA       ARG  16   5.418  -7.849  -6.209
  136   1HB   ARG  16          HB2       ARG  16   6.981  -9.863  -7.836
  137   2HB   ARG  16          HB3       ARG  16   6.647 -10.047  -6.118
  138   1HG   ARG  16          HG2       ARG  16   4.557  -9.806  -8.272
  139   2HG   ARG  16          HG3       ARG  16   5.094 -11.315  -7.532
  140   1HD   ARG  16          HD2       ARG  16   4.017  -9.038  -5.902
  141   2HD   ARG  16          HD3       ARG  16   2.956 -10.246  -6.623
  142    HE   ARG  16           HE       ARG  16   4.270 -11.923  -5.308
  143   1HH1  ARG  16          HH12      ARG  16   4.217  -8.573  -4.270
  144   2HH1  ARG  16          HH11      ARG  16   4.338  -8.955  -2.583
  145   1HH2  ARG  16          HH22      ARG  16   4.373 -12.441  -3.074
  146   2HH2  ARG  16          HH21      ARG  16   4.391 -11.156  -1.903
  147    H    ASP  17           HN       ASP  17   8.107  -7.038  -8.152
  148    HA   ASP  17           HA       ASP  17   9.727  -6.586  -5.731
  149   1HB   ASP  17          HB2       ASP  17  10.742  -8.158  -7.383
  150   2HB   ASP  17          HB3       ASP  17  10.692  -6.879  -8.590
  151    H    VAL  18           HN       VAL  18   8.975  -4.544  -5.228
  152    HA   VAL  18           HA       VAL  18   8.980  -2.515  -7.305
  153    HB   VAL  18           HB       VAL  18   7.094  -2.250  -5.941
  154   1HG1  VAL  18          HG11      VAL  18   8.884  -2.460  -3.524
  155   2HG1  VAL  18          HG12      VAL  18   7.159  -2.082  -3.491
  156   3HG1  VAL  18          HG13      VAL  18   7.706  -3.654  -4.075
  157   1HG2  VAL  18          HG21      VAL  18   7.473  -0.095  -4.740
  158   2HG2  VAL  18          HG22      VAL  18   9.203  -0.296  -5.033
  159   3HG2  VAL  18          HG23      VAL  18   8.091  -0.125  -6.393
  160    H    ASP  19           HN       ASP  19  10.481  -1.015  -7.568
  161    HA   ASP  19           HA       ASP  19  12.997  -1.308  -6.236
  162   1HB   ASP  19          HB2       ASP  19  12.791  -0.786  -8.648
  163   2HB   ASP  19          HB3       ASP  19  12.080   0.767  -8.240
  164    H    CYS  20           HN       CYS  20  11.992  -0.835  -4.087
  165    HA   CYS  20           HA       CYS  20  11.126   1.641  -3.217
  166   1HB   CYS  20          HB2       CYS  20  12.966   0.512  -1.310
  167   2HB   CYS  20          HB3       CYS  20  11.248   0.680  -1.221
  168    H    ASP  21           HN       ASP  21  14.378   0.413  -3.379
  169    HA   ASP  21           HA       ASP  21  15.959   2.344  -2.384
  170   1HB   ASP  21          HB2       ASP  21  16.853   0.328  -3.405
  171   2HB   ASP  21          HB3       ASP  21  16.390   0.896  -5.004
  172    H    ASN  22           HN       ASN  22  14.458   2.512  -5.603
  173    HA   ASN  22           HA       ASN  22  15.429   5.255  -5.933
  174   1HB   ASN  22          HB2       ASN  22  15.516   3.546  -7.799
  175   2HB   ASN  22          HB3       ASN  22  13.763   3.610  -7.845
  176   1HD2  ASN  22          HD21      ASN  22  15.743   4.270  -9.880
  177   2HD2  ASN  22          HD22      ASN  22  15.425   5.913 -10.338
  178    H    ILE  23           HN       ILE  23  12.345   3.488  -6.008
  179    HA   ILE  23           HA       ILE  23  10.688   5.713  -6.396
  180    HB   ILE  23           HB       ILE  23  10.101   3.013  -5.180
  181   1HG1  ILE  23          HG12      ILE  23   9.570   4.188  -7.918
  182   2HG1  ILE  23          HG13      ILE  23  10.828   3.024  -7.521
  183   1HG2  ILE  23          HG21      ILE  23   8.115   5.114  -6.043
  184   2HG2  ILE  23          HG22      ILE  23   7.728   3.469  -5.531
  185   3HG2  ILE  23          HG23      ILE  23   8.432   4.610  -4.383
  186   1HD1  ILE  23          HD11      ILE  23   7.863   2.551  -7.352
  187   2HD1  ILE  23          HD12      ILE  23   8.952   1.944  -8.598
  188   3HD1  ILE  23          HD13      ILE  23   9.115   1.381  -6.934
  189    H    LEU  24           HN       LEU  24  11.758   4.170  -3.392
  190    HA   LEU  24           HA       LEU  24  10.134   5.858  -1.730
  191   1HB   LEU  24          HB2       LEU  24  12.109   3.680  -1.287
  192   2HB   LEU  24          HB3       LEU  24  11.824   4.796   0.034
  193    HG   LEU  24           HG       LEU  24   9.545   4.177   0.169
  194   1HD1  LEU  24          HD11      LEU  24   9.944   2.517  -2.275
  195   2HD1  LEU  24          HD12      LEU  24   8.480   2.592  -1.300
  196   3HD1  LEU  24          HD13      LEU  24   9.028   4.020  -2.179
  197   1HD2  LEU  24          HD21      LEU  24   9.648   1.803   0.644
  198   2HD2  LEU  24          HD22      LEU  24  11.181   1.711  -0.222
  199   3HD2  LEU  24          HD23      LEU  24  11.064   2.659   1.260
  200    H    SER  25           HN       SER  25  13.063   6.253  -3.317
  201    HA   SER  25           HA       SER  25  14.303   7.932  -1.318
  202   1HB   SER  25          HB2       SER  25  15.495   6.415  -3.048
  203   2HB   SER  25          HB3       SER  25  15.167   7.710  -4.196
  204    HG   SER  25           HG       SER  25  16.379   8.339  -1.742
  205    H    THR  26           HN       THR  26  11.903   8.312  -3.625
  206    HA   THR  26           HA       THR  26  12.519  10.988  -4.469
  207    HB   THR  26           HB       THR  26  10.311  10.971  -5.519
  208    HG1  THR  26           HG1      THR  26   9.842   8.328  -4.652
  209   1HG2  THR  26          HG21      THR  26  11.751   8.342  -5.903
  210   2HG2  THR  26          HG22      THR  26  12.167   9.865  -6.689
  211   3HG2  THR  26          HG23      THR  26  10.626   9.083  -7.042
  212    H    ASN  27           HN       ASN  27  10.306  12.444  -4.292
  213    HA   ASN  27           HA       ASN  27  10.258  13.237  -1.521
  214   1HB   ASN  27          HB2       ASN  27  10.349  14.884  -3.335
  215   2HB   ASN  27          HB3       ASN  27   8.809  14.307  -3.953
  216   1HD2  ASN  27          HD21      ASN  27   7.818  16.258  -3.785
  217   2HD2  ASN  27          HD22      ASN  27   7.398  16.985  -2.266
  218    H    LEU  28           HN       LEU  28   8.526  11.071  -3.384
  219    HA   LEU  28           HA       LEU  28   5.898  11.490  -2.332
  220   1HB   LEU  28          HB2       LEU  28   6.418  10.425  -4.536
  221   2HB   LEU  28          HB3       LEU  28   7.038   9.033  -3.670
  222    HG   LEU  28           HG       LEU  28   4.761   8.717  -2.678
  223   1HD1  LEU  28          HD11      LEU  28   2.869   9.826  -3.810
  224   2HD1  LEU  28          HD12      LEU  28   3.884  10.953  -2.907
  225   3HD1  LEU  28          HD13      LEU  28   4.015  10.859  -4.664
  226   1HD2  LEU  28          HD21      LEU  28   3.803   7.725  -4.679
  227   2HD2  LEU  28          HD22      LEU  28   4.900   8.666  -5.691
  228   3HD2  LEU  28          HD23      LEU  28   5.539   7.427  -4.610
  229    H    PHE  29           HN       PHE  29   8.714   9.849  -1.260
  230    HA   PHE  29           HA       PHE  29   7.206   8.728   1.008
  231   1HB   PHE  29          HB2       PHE  29   9.501   7.380  -0.431
  232   2HB   PHE  29          HB3       PHE  29   8.712   6.779   1.025
  233    HD1  PHE  29           HD1      PHE  29   8.581   7.005  -2.564
  234    HD2  PHE  29           HD2      PHE  29   6.329   6.075   0.920
  235    HE1  PHE  29           HE1      PHE  29   6.934   5.811  -3.948
  236    HE2  PHE  29           HE2      PHE  29   4.682   4.880  -0.453
  237    HZ   PHE  29           HZ       PHE  29   4.975   4.772  -2.909
  238    H    HIS  30           HN       HIS  30  10.223  10.003  -0.243
  239    HA   HIS  30           HA       HIS  30  11.958  11.110   0.693
  240   1HB   HIS  30          HB2       HIS  30   9.874  12.372   1.615
  241   2HB   HIS  30          HB3       HIS  30  10.312  11.626   3.149
  242    HD1  HIS  30           HD1      HIS  30  11.663  13.170   4.527
  243    HD2  HIS  30           HD2      HIS  30  12.417  13.658   0.471
  244    HE1  HIS  30           HE1      HIS  30  13.399  14.983   4.385
  245    HE2  HIS  30           HE2      HIS  30  13.970  15.136   1.932
  246    H    CYS  31           HN       CYS  31  11.806   8.344   1.073
  247    HA   CYS  31           HA       CYS  31  12.517   6.580   2.258
  248   1HB   CYS  31          HB2       CYS  31  14.612   8.663   2.707
  249   2HB   CYS  31          HB3       CYS  31  14.752   7.110   3.528
  250    H    LYS  32           HN       LYS  32  10.641   6.569   3.557
  251    HA   LYS  32           HA       LYS  32  10.772   7.314   6.323
  252   1HB   LYS  32          HB2       LYS  32   8.738   5.867   6.480
  253   2HB   LYS  32          HB3       LYS  32   8.616   7.137   5.269
  254   1HG   LYS  32          HG2       LYS  32   9.335   5.369   3.575
  255   2HG   LYS  32          HG3       LYS  32   9.033   4.195   4.852
  256   1HD   LYS  32          HD2       LYS  32   7.121   4.536   3.292
  257   2HD   LYS  32          HD3       LYS  32   6.736   4.822   4.991
  258   1HE   LYS  32          HE2       LYS  32   7.019   7.244   4.599
  259   2HE   LYS  32          HE3       LYS  32   7.315   6.909   2.892
  260   1HZ   LYS  32          HZ1       LYS  32   4.828   6.211   4.359
  261   2HZ   LYS  32          HZ2       LYS  32   5.110   5.993   2.701
  262   3HZ   LYS  32          HZ3       LYS  32   5.013   7.560   3.346
  263    H    ASP  33           HN       ASP  33  10.038   5.109   7.732
  264    HA   ASP  33           HA       ASP  33  12.427   3.521   7.887
  265   1HB   ASP  33          HB2       ASP  33   9.721   3.168   9.207
  266   2HB   ASP  33          HB3       ASP  33  11.142   2.200   9.579
  267    H    LYS  34           HN       LYS  34   9.087   2.846   6.883
  268    HA   LYS  34           HA       LYS  34  10.036   0.958   4.943
  269   1HB   LYS  34          HB2       LYS  34   8.499  -0.876   5.821
  270   2HB   LYS  34          HB3       LYS  34  10.003  -0.620   6.688
  271   1HG   LYS  34          HG2       LYS  34   8.353  -0.967   8.322
  272   2HG   LYS  34          HG3       LYS  34   8.689   0.760   8.332
  273   1HD   LYS  34          HD2       LYS  34   6.301   0.360   8.516
  274   2HD   LYS  34          HD3       LYS  34   6.671   1.147   6.982
  275   1HE   LYS  34          HE2       LYS  34   5.032  -0.613   6.664
  276   2HE   LYS  34          HE3       LYS  34   6.538  -1.021   5.846
  277   1HZ   LYS  34          HZ1       LYS  34   7.086  -2.567   7.528
  278   2HZ   LYS  34          HZ2       LYS  34   5.470  -2.871   7.118
  279   3HZ   LYS  34          HZ3       LYS  34   5.838  -2.034   8.546
  280    H    ASN  35           HN       ASN  35   8.389   0.200   3.524
  281    HA   ASN  35           HA       ASN  35   5.786   1.502   3.698
  282   1HB   ASN  35          HB2       ASN  35   7.409   2.995   2.358
  283   2HB   ASN  35          HB3       ASN  35   7.364   1.734   1.137
  284   1HD2  ASN  35          HD21      ASN  35   5.486   1.390  -0.027
  285   2HD2  ASN  35          HD22      ASN  35   4.192   2.539  -0.062
  286    H    THR  36           HN       THR  36   4.376  -0.088   3.394
  287    HA   THR  36           HA       THR  36   5.168  -2.467   1.915
  288    HB   THR  36           HB       THR  36   2.579  -1.984   3.399
  289    HG1  THR  36           HG1      THR  36   5.111  -2.951   4.315
  290   1HG2  THR  36          HG21      THR  36   2.562  -3.876   1.840
  291   2HG2  THR  36          HG22      THR  36   2.501  -4.431   3.512
  292   3HG2  THR  36          HG23      THR  36   4.012  -4.526   2.609
  293    H    PHE  37           HN       PHE  37   4.739  -2.619  -0.181
  294    HA   PHE  37           HA       PHE  37   2.552  -1.048  -1.336
  295   1HB   PHE  37          HB2       PHE  37   4.766  -2.630  -2.656
  296   2HB   PHE  37          HB3       PHE  37   3.512  -1.757  -3.524
  297    HD1  PHE  37           HD1      PHE  37   6.459  -1.370  -1.319
  298    HD2  PHE  37           HD2      PHE  37   3.645   0.577  -3.859
  299    HE1  PHE  37           HE1      PHE  37   7.818   0.668  -1.256
  300    HE2  PHE  37           HE2      PHE  37   5.011   2.617  -3.802
  301    HZ   PHE  37           HZ       PHE  37   7.162   2.613  -2.570
  302    H    ILE  38           HN       ILE  38   1.151  -2.056  -2.887
  303    HA   ILE  38           HA       ILE  38   0.475  -4.834  -2.163
  304    HB   ILE  38           HB       ILE  38  -1.368  -2.599  -3.049
  305   1HG1  ILE  38          HG12      ILE  38  -1.162  -3.884  -0.317
  306   2HG1  ILE  38          HG13      ILE  38  -0.380  -2.365  -0.738
  307   1HG2  ILE  38          HG21      ILE  38  -2.143  -4.812  -3.751
  308   2HG2  ILE  38          HG22      ILE  38  -2.027  -5.383  -2.087
  309   3HG2  ILE  38          HG23      ILE  38  -3.193  -4.127  -2.511
  310   1HD1  ILE  38          HD11      ILE  38  -2.470  -2.021   0.461
  311   2HD1  ILE  38          HD12      ILE  38  -2.537  -1.352  -1.170
  312   3HD1  ILE  38          HD13      ILE  38  -3.340  -2.879  -0.811
  313    H    TYR  39           HN       TYR  39   0.936  -6.187  -3.820
  314    HA   TYR  39           HA       TYR  39   0.963  -5.260  -6.547
  315   1HB   TYR  39          HB2       TYR  39   2.544  -6.994  -6.001
  316   2HB   TYR  39          HB3       TYR  39   1.267  -8.031  -5.370
  317    HD1  TYR  39           HD1      TYR  39   2.302  -6.333  -8.541
  318    HD2  TYR  39           HD2      TYR  39   0.368  -9.668  -6.743
  319    HE1  TYR  39           HE1      TYR  39   2.027  -7.363 -10.757
  320    HE2  TYR  39           HE2      TYR  39   0.084 -10.703  -8.953
  321    HH   TYR  39           HH       TYR  39   1.693  -9.577 -11.733
  322    H    SER  40           HN       SER  40  -1.096  -4.449  -6.651
  323    HA   SER  40           HA       SER  40  -2.997  -6.243  -7.792
  324   1HB   SER  40          HB2       SER  40  -3.703  -4.825  -5.198
  325   2HB   SER  40          HB3       SER  40  -4.881  -5.581  -6.270
  326    HG   SER  40           HG       SER  40  -2.773  -7.202  -5.546
  327    H    ARG  41           HN       ARG  41  -4.750  -4.968  -8.816
  328    HA   ARG  41           HA       ARG  41  -3.675  -2.418  -9.635
  329   1HB   ARG  41          HB2       ARG  41  -6.294  -3.693 -10.456
  330   2HB   ARG  41          HB3       ARG  41  -5.489  -2.346 -11.249
  331   1HG   ARG  41          HG2       ARG  41  -4.703  -5.232 -11.201
  332   2HG   ARG  41          HG3       ARG  41  -4.975  -4.179 -12.590
  333   1HD   ARG  41          HD2       ARG  41  -2.969  -2.955 -12.133
  334   2HD   ARG  41          HD3       ARG  41  -2.741  -3.801 -10.607
  335    HE   ARG  41           HE       ARG  41  -1.788  -4.610 -13.101
  336   1HH1  ARG  41          HH12      ARG  41  -3.537  -6.053 -10.403
  337   2HH1  ARG  41          HH11      ARG  41  -2.788  -7.608 -10.597
  338   1HH2  ARG  41          HH22      ARG  41  -0.824  -6.674 -13.342
  339   2HH2  ARG  41          HH21      ARG  41  -1.260  -7.960 -12.258
  340    HA   PRO  42           HA       PRO  42  -5.810   0.158  -6.870
  341   1HB   PRO  42          HB2       PRO  42  -6.645   2.209  -8.511
  342   2HB   PRO  42          HB3       PRO  42  -5.014   2.044  -7.858
  343   1HG   PRO  42          HG2       PRO  42  -6.043   1.429 -10.573
  344   2HG   PRO  42          HG3       PRO  42  -4.447   2.009 -10.078
  345   1HD   PRO  42          HD2       PRO  42  -4.992  -0.572 -10.803
  346   2HD   PRO  42          HD3       PRO  42  -3.657  -0.112  -9.733
  347    H    GLU  43           HN       GLU  43  -7.469  -0.793  -9.779
  348    HA   GLU  43           HA       GLU  43 -10.014   0.230  -9.055
  349   1HB   GLU  43          HB2       GLU  43  -9.117  -1.755 -11.137
  350   2HB   GLU  43          HB3       GLU  43 -10.763  -1.166 -10.999
  351   1HG   GLU  43          HG2       GLU  43 -10.109   1.056 -11.503
  352   2HG   GLU  43          HG3       GLU  43  -8.403   0.657 -11.324
  353    HA   PRO  44           HA       PRO  44 -10.987  -4.407  -7.824
  354   1HB   PRO  44          HB2       PRO  44  -8.757  -5.896  -7.235
  355   2HB   PRO  44          HB3       PRO  44  -9.608  -5.954  -8.778
  356   1HG   PRO  44          HG2       PRO  44  -7.144  -4.440  -8.031
  357   2HG   PRO  44          HG3       PRO  44  -7.495  -5.355  -9.510
  358   1HD   PRO  44          HD2       PRO  44  -7.675  -2.679  -9.456
  359   2HD   PRO  44          HD3       PRO  44  -8.805  -3.661 -10.388
  360    H    VAL  45           HN       VAL  45  -8.339  -2.508  -6.548
  361    HA   VAL  45           HA       VAL  45  -8.764  -3.493  -3.844
  362    HB   VAL  45           HB       VAL  45  -6.868  -1.391  -4.917
  363   1HG1  VAL  45          HG11      VAL  45  -7.502  -0.787  -2.646
  364   2HG1  VAL  45          HG12      VAL  45  -7.142  -2.424  -2.094
  365   3HG1  VAL  45          HG13      VAL  45  -5.844  -1.386  -2.684
  366   1HG2  VAL  45          HG21      VAL  45  -5.147  -3.034  -4.350
  367   2HG2  VAL  45          HG22      VAL  45  -6.399  -4.163  -3.829
  368   3HG2  VAL  45          HG23      VAL  45  -6.299  -3.678  -5.522
  369    H    LYS  46           HN       LYS  46  -9.497  -0.643  -5.781
  370    HA   LYS  46           HA       LYS  46 -10.631   0.881  -3.674
  371   1HB   LYS  46          HB2       LYS  46 -10.012   1.741  -5.963
  372   2HB   LYS  46          HB3       LYS  46 -11.443   0.929  -6.585
  373   1HG   LYS  46          HG2       LYS  46 -12.856   2.309  -5.160
  374   2HG   LYS  46          HG3       LYS  46 -11.426   3.106  -4.505
  375   1HD   LYS  46          HD2       LYS  46 -10.859   3.878  -6.778
  376   2HD   LYS  46          HD3       LYS  46 -12.365   3.167  -7.364
  377   1HE   LYS  46          HE2       LYS  46 -12.114   5.337  -5.289
  378   2HE   LYS  46          HE3       LYS  46 -12.609   5.559  -6.963
  379   1HZ   LYS  46          HZ1       LYS  46 -14.061   4.047  -4.863
  380   2HZ   LYS  46          HZ2       LYS  46 -14.504   4.061  -6.499
  381   3HZ   LYS  46          HZ3       LYS  46 -14.545   5.495  -5.597
  382    H    ALA  47           HN       ALA  47 -11.699  -1.790  -5.572
  383    HA   ALA  47           HA       ALA  47 -14.473  -1.614  -5.168
  384   1HB   ALA  47          HB1       ALA  47 -13.460  -3.057  -6.859
  385   2HB   ALA  47          HB2       ALA  47 -12.776  -4.072  -5.589
  386   3HB   ALA  47          HB3       ALA  47 -14.525  -3.972  -5.792
  387    H    ILE  48           HN       ILE  48 -11.901  -2.561  -3.060
  388    HA   ILE  48           HA       ILE  48 -13.338  -4.151  -1.232
  389    HB   ILE  48           HB       ILE  48 -11.010  -2.306  -0.633
  390   1HG1  ILE  48          HG12      ILE  48 -10.982  -5.244  -1.355
  391   2HG1  ILE  48          HG13      ILE  48 -10.624  -3.948  -2.492
  392   1HG2  ILE  48          HG21      ILE  48 -12.157  -3.061   1.374
  393   2HG2  ILE  48          HG22      ILE  48 -12.052  -4.734   0.828
  394   3HG2  ILE  48          HG23      ILE  48 -10.584  -3.841   1.231
  395   1HD1  ILE  48          HD11      ILE  48  -9.084  -4.569   0.016
  396   2HD1  ILE  48          HD12      ILE  48  -8.596  -4.962  -1.632
  397   3HD1  ILE  48          HD13      ILE  48  -8.720  -3.277  -1.128
  398    H    CYS  49           HN       CYS  49 -13.081  -0.712  -1.732
  399    HA   CYS  49           HA       CYS  49 -14.655  -0.179   0.677
  400   1HB   CYS  49          HB2       CYS  49 -13.076   1.640  -1.146
  401   2HB   CYS  49          HB3       CYS  49 -13.995   2.186   0.255
  402    H    LYS  50           HN       LYS  50 -15.530  -1.207  -2.087
  403    HA   LYS  50           HA       LYS  50 -17.137   0.733  -3.320
  404   1HB   LYS  50          HB2       LYS  50 -16.617  -1.353  -4.434
  405   2HB   LYS  50          HB3       LYS  50 -17.451  -2.269  -3.187
  406   1HG   LYS  50          HG2       LYS  50 -19.563  -1.128  -3.860
  407   2HG   LYS  50          HG3       LYS  50 -18.680  -0.408  -5.206
  408   1HD   LYS  50          HD2       LYS  50 -18.923  -3.372  -4.716
  409   2HD   LYS  50          HD3       LYS  50 -19.954  -2.457  -5.813
  410   1HE   LYS  50          HE2       LYS  50 -16.959  -2.752  -6.018
  411   2HE   LYS  50          HE3       LYS  50 -18.154  -3.576  -7.019
  412   1HZ   LYS  50          HZ1       LYS  50 -17.544  -1.814  -8.331
  413   2HZ   LYS  50          HZ2       LYS  50 -17.356  -0.746  -7.028
  414   3HZ   LYS  50          HZ3       LYS  50 -18.911  -1.172  -7.553
  415    H    GLY  51           HN       GLY  51 -18.644   1.875  -2.326
  416   1HA   GLY  51          HA1       GLY  51 -20.899   2.047  -1.650
  417   2HA   GLY  51          HA2       GLY  51 -20.802   0.422  -0.996
  418    H    ILE  52           HN       ILE  52 -18.067   2.010   0.012
  419    HA   ILE  52           HA       ILE  52 -19.339   2.524   2.615
  420    HB   ILE  52           HB       ILE  52 -16.372   2.293   2.124
  421   1HG1  ILE  52          HG12      ILE  52 -17.408   0.207   1.359
  422   2HG1  ILE  52          HG13      ILE  52 -16.528  -0.051   2.859
  423   1HG2  ILE  52          HG21      ILE  52 -17.029   3.345   4.209
  424   2HG2  ILE  52          HG22      ILE  52 -18.073   1.975   4.593
  425   3HG2  ILE  52          HG23      ILE  52 -16.324   1.758   4.521
  426   1HD1  ILE  52          HD11      ILE  52 -18.623  -1.252   2.865
  427   2HD1  ILE  52          HD12      ILE  52 -18.639   0.013   4.094
  428   3HD1  ILE  52          HD13      ILE  52 -19.507   0.247   2.575
  429    H    ILE  53           HN       ILE  53 -20.061   4.630   2.387
  430    HA   ILE  53           HA       ILE  53 -18.329   6.670   1.298
  431    HB   ILE  53           HB       ILE  53 -21.136   6.704   2.386
  432   1HG1  ILE  53          HG12      ILE  53 -21.675   7.419   0.086
  433   2HG1  ILE  53          HG13      ILE  53 -19.981   7.280  -0.350
  434   1HG2  ILE  53          HG21      ILE  53 -21.257   9.079   1.764
  435   2HG2  ILE  53          HG22      ILE  53 -20.121   8.786   3.084
  436   3HG2  ILE  53          HG23      ILE  53 -19.521   9.069   1.450
  437   1HD1  ILE  53          HD11      ILE  53 -20.091   4.878   0.113
  438   2HD1  ILE  53          HD12      ILE  53 -21.807   5.044   0.495
  439   3HD1  ILE  53          HD13      ILE  53 -21.229   5.378  -1.139
  440    H    ALA  54           HN       ALA  54 -19.732   5.846   4.441
  441    HA   ALA  54           HA       ALA  54 -18.445   8.044   5.771
  442   1HB   ALA  54          HB1       ALA  54 -20.564   7.153   6.593
  443   2HB   ALA  54          HB2       ALA  54 -19.787   5.604   6.923
  444   3HB   ALA  54          HB3       ALA  54 -19.304   7.043   7.822
  445    H    SER  55           HN       SER  55 -16.586   8.040   6.920
  446    HA   SER  55           HA       SER  55 -14.465   6.426   6.414
  447   1HB   SER  55          HB2       SER  55 -14.906   7.678   9.114
  448   2HB   SER  55          HB3       SER  55 -13.398   7.504   8.219
  449    HG   SER  55           HG       SER  55 -13.838   9.238   7.088
  450    H    LYS  56           HN       LYS  56 -14.665   4.250   6.490
  451    HA   LYS  56           HA       LYS  56 -14.982   3.042   9.141
  452   1HB   LYS  56          HB2       LYS  56 -17.180   2.884   8.043
  453   2HB   LYS  56          HB3       LYS  56 -16.435   2.119   6.647
  454   1HG   LYS  56          HG2       LYS  56 -15.740   0.244   8.112
  455   2HG   LYS  56          HG3       LYS  56 -16.641   0.996   9.432
  456   1HD   LYS  56          HD2       LYS  56 -18.693   0.855   8.090
  457   2HD   LYS  56          HD3       LYS  56 -17.785   0.076   6.793
  458   1HE   LYS  56          HE2       LYS  56 -17.225  -1.769   8.305
  459   2HE   LYS  56          HE3       LYS  56 -18.147  -0.992   9.590
  460   1HZ   LYS  56          HZ1       LYS  56 -20.139  -1.216   8.229
  461   2HZ   LYS  56          HZ2       LYS  56 -19.427  -2.724   8.525
  462   3HZ   LYS  56          HZ3       LYS  56 -19.244  -1.984   7.010
  463    H    ASN  57           HN       ASN  57 -13.210   1.853   9.497
  464    HA   ASN  57           HA       ASN  57 -11.544   1.020   7.306
  465   1HB   ASN  57          HB2       ASN  57 -10.066   0.077   9.059
  466   2HB   ASN  57          HB3       ASN  57 -10.441   1.773   9.316
  467   1HD2  ASN  57          HD21      ASN  57  -9.537  -0.322  11.151
  468   2HD2  ASN  57          HD22      ASN  57 -10.688  -0.343  12.443
  469    H    VAL  58           HN       VAL  58 -11.503  -0.881   6.328
  470    HA   VAL  58           HA       VAL  58 -13.048  -3.080   7.530
  471    HB   VAL  58           HB       VAL  58 -13.894  -3.722   5.376
  472   1HG1  VAL  58          HG11      VAL  58 -15.310  -1.784   4.820
  473   2HG1  VAL  58          HG12      VAL  58 -15.228  -2.099   6.554
  474   3HG1  VAL  58          HG13      VAL  58 -14.294  -0.778   5.852
  475   1HG2  VAL  58          HG21      VAL  58 -12.282  -1.441   4.256
  476   2HG2  VAL  58          HG22      VAL  58 -12.047  -3.162   3.950
  477   3HG2  VAL  58          HG23      VAL  58 -13.496  -2.350   3.355
  478    H    LEU  59           HN       LEU  59 -12.229  -5.113   7.321
  479    HA   LEU  59           HA       LEU  59  -9.437  -5.295   6.515
  480   1HB   LEU  59          HB2       LEU  59 -10.320  -6.032   8.777
  481   2HB   LEU  59          HB3       LEU  59 -11.147  -7.322   7.945
  482    HG   LEU  59           HG       LEU  59  -8.880  -7.765   9.123
  483   1HD1  LEU  59          HD11      LEU  59 -10.080  -9.424   7.839
  484   2HD1  LEU  59          HD12      LEU  59  -9.423  -8.762   6.342
  485   3HD1  LEU  59          HD13      LEU  59  -8.349  -9.517   7.520
  486   1HD2  LEU  59          HD21      LEU  59  -6.949  -7.514   7.667
  487   2HD2  LEU  59          HD22      LEU  59  -7.946  -6.658   6.490
  488   3HD2  LEU  59          HD23      LEU  59  -7.659  -5.953   8.082
  489    H    THR  60           HN       THR  60  -8.733  -6.646   4.885
  490    HA   THR  60           HA       THR  60 -10.714  -7.375   2.925
  491    HB   THR  60           HB       THR  60  -8.786  -8.122   1.555
  492    HG1  THR  60           HG1      THR  60  -7.117  -8.716   2.727
  493   1HG2  THR  60          HG21      THR  60  -7.767  -5.919   1.270
  494   2HG2  THR  60          HG22      THR  60  -8.435  -5.405   2.819
  495   3HG2  THR  60          HG23      THR  60  -9.514  -5.791   1.479
  496    H    THR  61           HN       THR  61 -11.449  -9.347   2.402
  497    HA   THR  61           HA       THR  61 -11.371 -11.373   4.358
  498    HB   THR  61           HB       THR  61 -12.612 -12.708   2.610
  499    HG1  THR  61           HG1      THR  61 -13.252 -10.927   0.869
  500   1HG2  THR  61          HG21      THR  61 -13.557  -9.894   3.173
  501   2HG2  THR  61          HG22      THR  61 -13.800 -11.302   4.208
  502   3HG2  THR  61          HG23      THR  61 -14.583 -11.223   2.628
  503    H    SER  62           HN       SER  62  -9.521 -10.820   1.466
  504    HA   SER  62           HA       SER  62  -8.258 -13.466   1.750
  505   1HB   SER  62          HB2       SER  62  -8.419 -11.801  -0.771
  506   2HB   SER  62          HB3       SER  62  -7.873 -13.473  -0.627
  507    HG   SER  62           HG       SER  62 -10.406 -12.995   0.358
  508    H    GLU  63           HN       GLU  63  -5.967 -13.583   1.364
  509    HA   GLU  63           HA       GLU  63  -4.550 -11.200   2.161
  510   1HB   GLU  63          HB2       GLU  63  -3.365 -13.858   1.338
  511   2HB   GLU  63          HB3       GLU  63  -2.558 -12.563   2.203
  512   1HG   GLU  63          HG2       GLU  63  -4.200 -12.891   4.061
  513   2HG   GLU  63          HG3       GLU  63  -4.759 -14.327   3.215
  514    H    PHE  64           HN       PHE  64  -3.408  -9.873   0.905
  515    HA   PHE  64           HA       PHE  64  -3.455 -10.423  -1.977
  516   1HB   PHE  64          HB2       PHE  64  -3.186  -7.860  -0.414
  517   2HB   PHE  64          HB3       PHE  64  -2.879  -7.948  -2.140
  518    HD1  PHE  64           HD1      PHE  64  -4.639  -7.795  -3.671
  519    HD2  PHE  64           HD2      PHE  64  -5.487  -8.549   0.429
  520    HE1  PHE  64           HE1      PHE  64  -7.039  -7.478  -4.111
  521    HE2  PHE  64           HE2      PHE  64  -7.886  -8.231  -0.005
  522    HZ   PHE  64           HZ       PHE  64  -8.663  -7.693  -2.281
  523    H    TYR  65           HN       TYR  65  -1.537  -9.572  -3.181
  524    HA   TYR  65           HA       TYR  65   0.802 -10.763  -1.965
  525   1HB   TYR  65          HB2       TYR  65   0.511  -9.560  -4.725
  526   2HB   TYR  65          HB3       TYR  65   1.785 -10.644  -4.170
  527    HD1  TYR  65           HD1      TYR  65  -1.359 -10.443  -5.798
  528    HD2  TYR  65           HD2      TYR  65   1.023 -12.988  -3.357
  529    HE1  TYR  65           HE1      TYR  65  -2.677 -12.379  -6.542
  530    HE2  TYR  65           HE2      TYR  65  -0.290 -14.931  -4.092
  531    HH   TYR  65           HH       TYR  65  -2.398 -14.844  -6.736
  532    H    LEU  66           HN       LEU  66   1.772  -9.455  -0.548
  533    HA   LEU  66           HA       LEU  66   1.921  -6.594  -1.140
  534   1HB   LEU  66          HB2       LEU  66   2.549  -8.037   1.434
  535   2HB   LEU  66          HB3       LEU  66   2.412  -6.301   1.210
  536    HG   LEU  66           HG       LEU  66   0.167  -8.298   0.962
  537   1HD1  LEU  66          HD11      LEU  66  -0.710  -7.187   2.964
  538   2HD1  LEU  66          HD12      LEU  66   0.850  -7.956   3.259
  539   3HD1  LEU  66          HD13      LEU  66   0.753  -6.207   3.048
  540   1HD2  LEU  66          HD21      LEU  66   0.152  -5.295   0.697
  541   2HD2  LEU  66          HD22      LEU  66  -0.157  -6.465  -0.586
  542   3HD2  LEU  66          HD23      LEU  66  -1.280  -6.322   0.765
  543    H    SER  67           HN       SER  67   3.849  -5.460  -1.025
  544    HA   SER  67           HA       SER  67   6.309  -7.056  -0.794
  545   1HB   SER  67          HB2       SER  67   5.809  -4.785  -2.742
  546   2HB   SER  67          HB3       SER  67   7.338  -5.640  -2.533
  547    HG   SER  67           HG       SER  67   6.601  -7.024  -3.919
  548    H    ASP  68           HN       ASP  68   7.250  -6.439   1.002
  549    HA   ASP  68           HA       ASP  68   6.688  -3.775   2.064
  550   1HB   ASP  68          HB2       ASP  68   6.262  -5.741   3.515
  551   2HB   ASP  68          HB3       ASP  68   7.976  -6.151   3.428
  552    H    CYS  69           HN       CYS  69   8.101  -2.247   1.647
  553    HA   CYS  69           HA       CYS  69  10.918  -2.962   1.317
  554   1HB   CYS  69          HB2       CYS  69   9.356  -0.453   0.698
  555   2HB   CYS  69          HB3       CYS  69  11.108  -0.558   0.550
  556    H    ASN  70           HN       ASN  70  12.205  -2.793   3.001
  557    HA   ASN  70           HA       ASN  70  11.569  -0.828   5.096
  558   1HB   ASN  70          HB2       ASN  70  12.389  -2.575   6.754
  559   2HB   ASN  70          HB3       ASN  70  10.814  -2.871   6.028
  560   1HD2  ASN  70          HD21      ASN  70  10.522  -4.598   4.687
  561   2HD2  ASN  70          HD22      ASN  70  11.716  -5.831   4.457
  562    H    VAL  71           HN       VAL  71  13.188   0.208   6.007
  563    HA   VAL  71           HA       VAL  71  15.637   0.427   4.642
  564    HB   VAL  71           HB       VAL  71  14.653   1.485   7.287
  565   1HG1  VAL  71          HG11      VAL  71  17.122   1.202   7.389
  566   2HG1  VAL  71          HG12      VAL  71  17.260   2.199   5.938
  567   3HG1  VAL  71          HG13      VAL  71  16.615   2.893   7.426
  568   1HG2  VAL  71          HG21      VAL  71  15.258   2.809   4.652
  569   2HG2  VAL  71          HG22      VAL  71  13.655   2.409   5.270
  570   3HG2  VAL  71          HG23      VAL  71  14.644   3.610   6.098
  571    H    THR  72           HN       THR  72  17.490  -0.517   4.846
  572    HA   THR  72           HA       THR  72  17.748  -2.795   6.629
  573    HB   THR  72           HB       THR  72  19.862  -3.185   5.312
  574    HG1  THR  72           HG1      THR  72  18.881  -1.031   3.704
  575   1HG2  THR  72          HG21      THR  72  17.774  -4.272   4.669
  576   2HG2  THR  72          HG22      THR  72  18.712  -3.843   3.239
  577   3HG2  THR  72          HG23      THR  72  17.322  -2.865   3.708
  578    H    SER  73           HN       SER  73  20.742  -2.439   6.349
  579    HA   SER  73           HA       SER  73  21.186  -1.104   8.851
  580   1HB   SER  73          HB2       SER  73  23.639  -1.655   8.189
  581   2HB   SER  73          HB3       SER  73  22.548  -2.998   8.536
  582    HG   SER  73           HG       SER  73  23.895  -2.528   6.301
  583    H    ARG  74           HN       ARG  74  21.103  -0.289   5.568
  584    HA   ARG  74           HA       ARG  74  22.616   2.170   6.005
  585   1HB   ARG  74          HB2       ARG  74  21.658   0.768   3.534
  586   2HB   ARG  74          HB3       ARG  74  22.132   2.460   3.486
  587   1HG   ARG  74          HG2       ARG  74  24.351   1.915   4.209
  588   2HG   ARG  74          HG3       ARG  74  23.898   0.225   4.430
  589   1HD   ARG  74          HD2       ARG  74  23.456   0.003   2.056
  590   2HD   ARG  74          HD3       ARG  74  23.813   1.712   1.810
  591    HE   ARG  74           HE       ARG  74  26.121   1.119   2.619
  592   1HH1  ARG  74          HH12      ARG  74  24.037  -1.222   1.070
  593   2HH1  ARG  74          HH11      ARG  74  25.351  -2.177   0.447
  594   1HH2  ARG  74          HH22      ARG  74  27.857  -0.132   1.791
  595   2HH2  ARG  74          HH21      ARG  74  27.512  -1.541   0.836
  596    HA   PRO  75           HA       PRO  75  18.810   4.387   6.622
  597   1HB   PRO  75          HB2       PRO  75  20.478   6.733   5.972
  598   2HB   PRO  75          HB3       PRO  75  19.561   6.380   7.440
  599   1HG   PRO  75          HG2       PRO  75  22.249   6.273   7.376
  600   2HG   PRO  75          HG3       PRO  75  21.284   5.186   8.389
  601   1HD   PRO  75          HD2       PRO  75  22.656   4.634   5.792
  602   2HD   PRO  75          HD3       PRO  75  22.451   3.588   7.210
  603    H    CYS  76           HN       CYS  76  17.258   4.934   5.224
  604    HA   CYS  76           HA       CYS  76  16.162   5.509   3.326
  605   1HB   CYS  76          HB2       CYS  76  17.558   7.548   3.468
  606   2HB   CYS  76          HB3       CYS  76  18.803   6.759   2.518
  607    H    LYS  77           HN       LYS  77  18.337   3.165   3.511
  608    HA   LYS  77           HA       LYS  77  17.960   2.367   0.701
  609   1HB   LYS  77          HB2       LYS  77  20.172   1.682   2.629
  610   2HB   LYS  77          HB3       LYS  77  19.887   0.757   1.160
  611   1HG   LYS  77          HG2       LYS  77  20.600   3.675   1.345
  612   2HG   LYS  77          HG3       LYS  77  21.622   2.362   0.753
  613   1HD   LYS  77          HD2       LYS  77  19.964   1.951  -1.043
  614   2HD   LYS  77          HD3       LYS  77  19.058   3.355  -0.483
  615   1HE   LYS  77          HE2       LYS  77  21.017   4.773  -0.927
  616   2HE   LYS  77          HE3       LYS  77  21.883   3.361  -1.532
  617   1HZ   LYS  77          HZ1       LYS  77  19.587   4.774  -2.725
  618   2HZ   LYS  77          HZ2       LYS  77  19.868   3.144  -3.099
  619   3HZ   LYS  77          HZ3       LYS  77  21.052   4.306  -3.452
  620    H    TYR  78           HN       TYR  78  16.684   0.686   0.333
  621    HA   TYR  78           HA       TYR  78  15.668  -0.735   2.698
  622   1HB   TYR  78          HB2       TYR  78  14.268  -0.282   0.048
  623   2HB   TYR  78          HB3       TYR  78  13.582  -1.031   1.483
  624    HD1  TYR  78           HD1      TYR  78  12.548   0.263   3.128
  625    HD2  TYR  78           HD2      TYR  78  14.932   2.156   0.161
  626    HE1  TYR  78           HE1      TYR  78  11.721   2.456   3.865
  627    HE2  TYR  78           HE2      TYR  78  14.119   4.350   0.897
  628    HH   TYR  78           HH       TYR  78  12.259   5.288   2.028
  629    H    LYS  79           HN       LYS  79  14.865  -2.881   2.370
  630    HA   LYS  79           HA       LYS  79  16.028  -4.320   0.078
  631   1HB   LYS  79          HB2       LYS  79  16.840  -4.804   2.550
  632   2HB   LYS  79          HB3       LYS  79  15.332  -5.699   2.647
  633   1HG   LYS  79          HG2       LYS  79  17.154  -7.171   2.088
  634   2HG   LYS  79          HG3       LYS  79  16.029  -7.059   0.731
  635   1HD   LYS  79          HD2       LYS  79  17.500  -5.505  -0.403
  636   2HD   LYS  79          HD3       LYS  79  18.586  -5.471   0.986
  637   1HE   LYS  79          HE2       LYS  79  19.477  -6.901  -0.758
  638   2HE   LYS  79          HE3       LYS  79  19.061  -7.848   0.669
  639   1HZ   LYS  79          HZ1       LYS  79  17.367  -7.594  -1.762
  640   2HZ   LYS  79          HZ2       LYS  79  17.040  -8.565  -0.408
  641   3HZ   LYS  79          HZ3       LYS  79  18.370  -8.914  -1.402
  642    H    LEU  80           HN       LEU  80  14.596  -5.582  -1.070
  643    HA   LEU  80           HA       LEU  80  11.817  -4.991  -0.652
  644   1HB   LEU  80          HB2       LEU  80  13.014  -5.136  -2.890
  645   2HB   LEU  80          HB3       LEU  80  12.996  -6.873  -2.689
  646    HG   LEU  80           HG       LEU  80  11.180  -5.745  -4.139
  647   1HD1  LEU  80          HD11      LEU  80   9.541  -7.439  -3.525
  648   2HD1  LEU  80          HD12      LEU  80  11.171  -8.110  -3.578
  649   3HD1  LEU  80          HD13      LEU  80  10.418  -7.742  -2.026
  650   1HD2  LEU  80          HD21      LEU  80   9.167  -5.111  -2.914
  651   2HD2  LEU  80          HD22      LEU  80  10.044  -5.288  -1.395
  652   3HD2  LEU  80          HD23      LEU  80  10.520  -4.041  -2.548
  653    H    LYS  81           HN       LYS  81  10.164  -6.444  -0.216
  654    HA   LYS  81           HA       LYS  81  10.913  -9.113   0.740
  655   1HB   LYS  81          HB2       LYS  81  10.998  -7.536   2.664
  656   2HB   LYS  81          HB3       LYS  81   9.320  -7.123   2.364
  657   1HG   LYS  81          HG2       LYS  81   8.644  -9.400   2.864
  658   2HG   LYS  81          HG3       LYS  81  10.333  -9.854   3.117
  659   1HD   LYS  81          HD2       LYS  81  10.503  -8.286   4.966
  660   2HD   LYS  81          HD3       LYS  81   8.846  -7.753   4.690
  661   1HE   LYS  81          HE2       LYS  81   8.025  -9.978   5.240
  662   2HE   LYS  81          HE3       LYS  81   9.681 -10.543   5.477
  663   1HZ   LYS  81          HZ1       LYS  81   8.414  -8.356   7.041
  664   2HZ   LYS  81          HZ2       LYS  81   9.933  -9.055   7.319
  665   3HZ   LYS  81          HZ3       LYS  81   8.522  -9.967   7.566
  666    H    LYS  82           HN       LYS  82   9.663 -10.389  -0.494
  667    HA   LYS  82           HA       LYS  82   7.010  -9.515  -1.301
  668   1HB   LYS  82          HB2       LYS  82   8.480 -12.079  -1.948
  669   2HB   LYS  82          HB3       LYS  82   7.030 -11.476  -2.742
  670   1HG   LYS  82          HG2       LYS  82   8.217  -9.646  -3.689
  671   2HG   LYS  82          HG3       LYS  82   9.652 -10.009  -2.731
  672   1HD   LYS  82          HD2       LYS  82   9.861 -12.163  -3.921
  673   2HD   LYS  82          HD3       LYS  82   8.477 -11.714  -4.918
  674   1HE   LYS  82          HE2       LYS  82   9.692  -9.763  -5.741
  675   2HE   LYS  82          HE3       LYS  82  11.071 -10.187  -4.727
  676   1HZ   LYS  82          HZ1       LYS  82  11.261 -12.276  -5.987
  677   2HZ   LYS  82          HZ2       LYS  82  11.456 -10.910  -6.967
  678   3HZ   LYS  82          HZ3       LYS  82   9.996 -11.773  -7.003
  679    H    SER  83           HN       SER  83   5.269  -9.971  -0.130
  680    HA   SER  83           HA       SER  83   5.170 -12.485   1.387
  681   1HB   SER  83          HB2       SER  83   4.381  -9.785   2.517
  682   2HB   SER  83          HB3       SER  83   4.311 -11.335   3.355
  683    HG   SER  83           HG       SER  83   6.633 -11.439   3.055
  684    H    THR  84           HN       THR  84   2.851 -12.789   2.270
  685    HA   THR  84           HA       THR  84   0.821 -11.525   0.560
  686    HB   THR  84           HB       THR  84   0.719 -14.467   1.210
  687    HG1  THR  84           HG1      THR  84   1.932 -13.169  -1.021
  688   1HG2  THR  84          HG21      THR  84  -0.788 -14.506  -0.749
  689   2HG2  THR  84          HG22      THR  84  -0.607 -12.758  -0.900
  690   3HG2  THR  84          HG23      THR  84  -1.379 -13.444   0.530
  691    H    ASN  85           HN       ASN  85  -0.619 -10.581   1.888
  692    HA   ASN  85           HA       ASN  85  -1.729 -12.005   4.126
  693   1HB   ASN  85          HB2       ASN  85   0.508 -10.748   4.857
  694   2HB   ASN  85          HB3       ASN  85  -0.589  -9.387   4.898
  695   1HD2  ASN  85          HD21      ASN  85   0.852 -10.856   7.025
  696   2HD2  ASN  85          HD22      ASN  85  -0.368 -11.296   8.170
  697    H    LYS  86           HN       LYS  86  -3.505 -10.829   5.102
  698    HA   LYS  86           HA       LYS  86  -4.950  -9.239   3.188
  699   1HB   LYS  86          HB2       LYS  86  -5.840  -9.487   6.030
  700   2HB   LYS  86          HB3       LYS  86  -6.790  -9.575   4.553
  701   1HG   LYS  86          HG2       LYS  86  -5.719 -11.812   4.128
  702   2HG   LYS  86          HG3       LYS  86  -5.059 -11.712   5.761
  703   1HD   LYS  86          HD2       LYS  86  -7.489 -11.317   6.492
  704   2HD   LYS  86          HD3       LYS  86  -7.919 -11.915   4.896
  705   1HE   LYS  86          HE2       LYS  86  -7.999 -13.744   6.442
  706   2HE   LYS  86          HE3       LYS  86  -6.615 -13.962   5.377
  707   1HZ   LYS  86          HZ1       LYS  86  -6.510 -12.879   8.140
  708   2HZ   LYS  86          HZ2       LYS  86  -5.180 -13.089   7.118
  709   3HZ   LYS  86          HZ3       LYS  86  -6.035 -14.436   7.672
  710    H    PHE  87           HN       PHE  87  -6.036  -7.138   4.137
  711    HA   PHE  87           HA       PHE  87  -4.443  -5.797   6.122
  712   1HB   PHE  87          HB2       PHE  87  -3.870  -3.861   4.651
  713   2HB   PHE  87          HB3       PHE  87  -3.013  -5.348   4.266
  714    HD1  PHE  87           HD1      PHE  87  -3.221  -6.361   2.141
  715    HD2  PHE  87           HD2      PHE  87  -5.730  -3.092   3.193
  716    HE1  PHE  87           HE1      PHE  87  -3.935  -6.156  -0.203
  717    HE2  PHE  87           HE2      PHE  87  -6.455  -2.888   0.851
  718    HZ   PHE  87           HZ       PHE  87  -5.554  -4.422  -0.853
  719    H    CYS  88           HN       CYS  88  -5.362  -3.936   6.937
  720    HA   CYS  88           HA       CYS  88  -8.225  -3.713   6.375
  721   1HB   CYS  88          HB2       CYS  88  -7.478  -4.132   8.712
  722   2HB   CYS  88          HB3       CYS  88  -6.593  -2.611   8.683
  723    H    VAL  89           HN       VAL  89  -8.846  -2.102   5.076
  724    HA   VAL  89           HA       VAL  89  -7.190   0.331   4.986
  725    HB   VAL  89           HB       VAL  89  -8.394   0.790   2.794
  726   1HG1  VAL  89          HG11      VAL  89  -6.590  -1.622   2.977
  727   2HG1  VAL  89          HG12      VAL  89  -6.908  -0.691   1.513
  728   3HG1  VAL  89          HG13      VAL  89  -6.080   0.062   2.876
  729   1HG2  VAL  89          HG21      VAL  89  -9.110  -2.135   3.060
  730   2HG2  VAL  89          HG22      VAL  89 -10.244  -0.784   3.067
  731   3HG2  VAL  89          HG23      VAL  89  -9.323  -1.156   1.607
  732    H    THR  90           HN       THR  90  -8.094   2.274   5.446
  733    HA   THR  90           HA       THR  90 -10.724   2.245   6.634
  734    HB   THR  90           HB       THR  90  -9.017   4.675   6.101
  735    HG1  THR  90           HG1      THR  90  -8.591   2.581   7.808
  736   1HG2  THR  90          HG21      THR  90 -10.202   5.609   8.016
  737   2HG2  THR  90          HG22      THR  90 -11.089   4.099   8.221
  738   3HG2  THR  90          HG23      THR  90 -11.347   5.084   6.782
  739    H    CYS  91           HN       CYS  91 -12.394   2.187   5.243
  740    HA   CYS  91           HA       CYS  91 -12.168   3.389   2.620
  741   1HB   CYS  91          HB2       CYS  91 -14.411   1.865   3.951
  742   2HB   CYS  91          HB3       CYS  91 -14.389   2.364   2.261
  743    H    GLU  92           HN       GLU  92 -12.918   5.297   2.034
  744    HA   GLU  92           HA       GLU  92 -15.106   6.538   3.508
  745   1HB   GLU  92          HB2       GLU  92 -12.597   7.213   4.232
  746   2HB   GLU  92          HB3       GLU  92 -12.824   8.312   2.888
  747   1HG   GLU  92          HG2       GLU  92 -14.935   9.074   4.004
  748   2HG   GLU  92          HG3       GLU  92 -14.419   8.150   5.409
  749    H    ASN  93           HN       ASN  93 -16.474   7.493   2.136
  750    HA   ASN  93           HA       ASN  93 -17.449   8.182   0.201
  751   1HB   ASN  93          HB2       ASN  93 -14.661   9.240  -0.334
  752   2HB   ASN  93          HB3       ASN  93 -16.080   9.654  -1.290
  753   1HD2  ASN  93          HD21      ASN  93 -14.410  10.092   1.697
  754   2HD2  ASN  93          HD22      ASN  93 -15.383  11.385   2.307
  755    H    GLN  94           HN       GLN  94 -16.363   5.529   0.331
  756    HA   GLN  94           HA       GLN  94 -16.349   3.696  -0.984
  757   1HB   GLN  94          HB2       GLN  94 -16.993   5.669  -3.172
  758   2HB   GLN  94          HB3       GLN  94 -16.894   3.932  -3.431
  759   1HG   GLN  94          HG2       GLN  94 -18.656   3.632  -1.718
  760   2HG   GLN  94          HG3       GLN  94 -18.801   5.382  -1.621
  761   1HE2  GLN  94          HE21      GLN  94 -18.107   3.872  -4.648
  762   2HE2  GLN  94          HE22      GLN  94 -19.665   4.110  -5.361
  763    H    ALA  95           HN       ALA  95 -13.945   5.455  -0.542
  764    HA   ALA  95           HA       ALA  95 -12.237   3.918  -2.349
  765   1HB   ALA  95          HB1       ALA  95 -12.526   6.127  -3.390
  766   2HB   ALA  95          HB2       ALA  95 -11.900   6.887  -1.928
  767   3HB   ALA  95          HB3       ALA  95 -10.859   5.839  -2.892
  768    HA   PRO  96           HA       PRO  96  -9.848   3.315   1.406
  769   1HB   PRO  96          HB2       PRO  96  -7.642   2.736  -0.450
  770   2HB   PRO  96          HB3       PRO  96  -8.364   1.707   0.788
  771   1HG   PRO  96          HG2       PRO  96  -8.733   1.298  -1.860
  772   2HG   PRO  96          HG3       PRO  96  -9.943   0.877  -0.643
  773   1HD   PRO  96          HD2       PRO  96  -9.893   3.155  -2.545
  774   2HD   PRO  96          HD3       PRO  96 -11.273   2.259  -1.891
  775    H    VAL  97           HN       VAL  97  -9.351   5.235   2.340
  776    HA   VAL  97           HA       VAL  97  -7.457   6.988   0.923
  777    HB   VAL  97           HB       VAL  97  -8.370   8.848   2.278
  778   1HG1  VAL  97          HG11      VAL  97 -10.502   9.040   1.072
  779   2HG1  VAL  97          HG12      VAL  97  -9.205   8.469   0.021
  780   3HG1  VAL  97          HG13      VAL  97 -10.402   7.332   0.642
  781   1HG2  VAL  97          HG21      VAL  97 -10.395   8.562   3.549
  782   2HG2  VAL  97          HG22      VAL  97 -10.473   6.856   3.101
  783   3HG2  VAL  97          HG23      VAL  97  -9.172   7.434   4.141
  784    H    HIS  98           HN       HIS  98  -7.907   5.107   3.748
  785    HA   HIS  98           HA       HIS  98  -5.347   6.127   4.757
  786   1HB   HIS  98          HB2       HIS  98  -7.837   5.652   6.398
  787   2HB   HIS  98          HB3       HIS  98  -6.238   5.734   7.108
  788    HD1  HIS  98           HD1      HIS  98  -5.094   8.063   7.194
  789    HD2  HIS  98           HD2      HIS  98  -8.970   8.085   5.695
  790    HE1  HIS  98           HE1      HIS  98  -5.796  10.482   7.156
  791    HE2  HIS  98           HE2      HIS  98  -8.226  10.431   6.478
  792    H    PHE  99           HN       PHE  99  -3.977   4.573   5.548
  793    HA   PHE  99           HA       PHE  99  -4.877   1.808   5.114
  794   1HB   PHE  99          HB2       PHE  99  -2.949   2.663   3.751
  795   2HB   PHE  99          HB3       PHE  99  -2.035   2.843   5.244
  796    HD1  PHE  99           HD1      PHE  99  -0.762   1.065   6.033
  797    HD2  PHE  99           HD2      PHE  99  -3.878   0.321   3.232
  798    HE1  PHE  99           HE1      PHE  99  -0.032  -1.279   5.843
  799    HE2  PHE  99           HE2      PHE  99  -3.159  -2.019   3.039
  800    HZ   PHE  99           HZ       PHE  99  -1.229  -2.823   4.346
  801    H    VAL 100           HN       VAL 100  -5.290   0.669   6.865
  802    HA   VAL 100           HA       VAL 100  -4.549   1.643   9.473
  803    HB   VAL 100           HB       VAL 100  -6.056  -0.852   8.659
  804   1HG1  VAL 100          HG11      VAL 100  -6.783  -0.969  10.986
  805   2HG1  VAL 100          HG12      VAL 100  -5.031  -1.113  10.852
  806   3HG1  VAL 100          HG13      VAL 100  -5.755   0.408  11.382
  807   1HG2  VAL 100          HG21      VAL 100  -7.039   1.831   9.634
  808   2HG2  VAL 100          HG22      VAL 100  -7.258   1.157   8.019
  809   3HG2  VAL 100          HG23      VAL 100  -8.049   0.406   9.406
  810    H    GLY 101           HN       GLY 101  -4.246  -1.600   8.028
  811   1HA   GLY 101          HA1       GLY 101  -1.478  -1.837   8.205
  812   2HA   GLY 101          HA2       GLY 101  -2.137  -2.417   9.729
  813    H    VAL 102           HN       VAL 102  -0.822  -4.273   8.390
  814    HA   VAL 102           HA       VAL 102  -2.726  -5.636   6.646
  815    HB   VAL 102           HB       VAL 102  -1.036  -6.931   5.809
  816   1HG1  VAL 102          HG11      VAL 102  -0.621  -4.647   5.193
  817   2HG1  VAL 102          HG12      VAL 102   0.359  -4.406   6.639
  818   3HG1  VAL 102          HG13      VAL 102   0.911  -5.503   5.374
  819   1HG2  VAL 102          HG21      VAL 102   0.723  -6.403   8.194
  820   2HG2  VAL 102          HG22      VAL 102  -0.293  -7.832   7.993
  821   3HG2  VAL 102          HG23      VAL 102   1.029  -7.528   6.866
  822    H    GLY 103           HN       GLY 103  -3.263  -7.842   6.962
  823   1HA   GLY 103          HA1       GLY 103  -3.449  -9.795   8.288
  824   2HA   GLY 103          HA2       GLY 103  -2.898  -8.877   9.682
  825    H    SER 104           HN       SER 104  -4.450  -7.028  10.285
  826    HA   SER 104           HA       SER 104  -7.247  -7.607   9.811
  827   1HB   SER 104          HB2       SER 104  -7.608  -7.788  12.345
  828   2HB   SER 104          HB3       SER 104  -6.929  -9.198  11.536
  829    HG   SER 104           HG       SER 104  -5.571  -7.241  13.090
  830    H    CYS 105           HN       CYS 105  -8.589  -6.137  11.365
  831    HA   CYS 105           HA       CYS 105  -7.497  -3.445  11.131
  832   1HB   CYS 105          HB2       CYS 105 -10.228  -4.461  11.947
  833   2HB   CYS 105          HB3       CYS 105  -9.801  -2.758  11.846
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1  -3.416  16.386   4.806
    2   2H    MET   1           H2       MET   1  -2.056  15.729   4.034
    3   3H    MET   1           H3       MET   1  -2.985  14.773   5.089
    4    HA   MET   1           HA       MET   1  -4.890  14.984   3.619
    5   1HB   MET   1          HB2       MET   1  -2.881  16.475   1.951
    6   2HB   MET   1          HB3       MET   1  -4.283  15.699   1.229
    7   1HG   MET   1          HG2       MET   1  -5.738  17.045   2.692
    8   2HG   MET   1          HG3       MET   1  -4.307  17.866   3.313
    9   1HE   MET   1          HE1       MET   1  -6.954  19.214   1.913
   10   2HE   MET   1          HE2       MET   1  -5.646  20.139   2.652
   11   3HE   MET   1          HE3       MET   1  -6.165  20.505   1.006
   12    H    GLN   2           HN       GLN   2  -5.202  12.973   3.159
   13    HA   GLN   2           HA       GLN   2  -3.489  11.597   1.284
   14   1HB   GLN   2          HB2       GLN   2  -2.525  11.064   3.561
   15   2HB   GLN   2          HB3       GLN   2  -4.067  10.313   3.953
   16   1HG   GLN   2          HG2       GLN   2  -3.746   8.807   1.987
   17   2HG   GLN   2          HG3       GLN   2  -2.120   9.468   1.827
   18   1HE2  GLN   2          HE21      GLN   2  -4.229   7.462   3.685
   19   2HE2  GLN   2          HE22      GLN   2  -3.009   6.746   4.693
   20    H    ASP   3           HN       ASP   3  -4.847  10.790  -0.118
   21    HA   ASP   3           HA       ASP   3  -7.402   9.685   0.764
   22   1HB   ASP   3          HB2       ASP   3  -7.053  11.852  -1.273
   23   2HB   ASP   3          HB3       ASP   3  -8.490  10.846  -1.219
   24    H    TRP   4           HN       TRP   4  -8.469   9.135  -1.763
   25    HA   TRP   4           HA       TRP   4  -7.256   6.698  -2.306
   26   1HB   TRP   4          HB2       TRP   4  -9.563   7.185  -2.934
   27   2HB   TRP   4          HB3       TRP   4  -9.013   8.344  -4.137
   28    HD1  TRP   4           HD1      TRP   4  -9.476   7.306  -6.435
   29    HE1  TRP   4           HE1      TRP   4  -9.069   5.018  -7.551
   30    HE3  TRP   4           HE3      TRP   4  -7.662   4.748  -2.397
   31    HZ2  TRP   4           HZ2      TRP   4  -8.107   2.477  -6.807
   32    HZ3  TRP   4           HZ3      TRP   4  -7.044   2.385  -2.678
   33    HH2  TRP   4           HH2      TRP   4  -7.250   1.278  -4.843
   34    H    LEU   5           HN       LEU   5  -6.777   9.800  -3.952
   35    HA   LEU   5           HA       LEU   5  -5.145   8.826  -6.024
   36   1HB   LEU   5          HB2       LEU   5  -5.314  11.546  -4.736
   37   2HB   LEU   5          HB3       LEU   5  -4.314  11.210  -6.134
   38    HG   LEU   5           HG       LEU   5  -6.287  12.217  -6.943
   39   1HD1  LEU   5          HD11      LEU   5  -6.495   9.241  -7.337
   40   2HD1  LEU   5          HD12      LEU   5  -7.299  10.459  -8.329
   41   3HD1  LEU   5          HD13      LEU   5  -5.537  10.370  -8.296
   42   1HD2  LEU   5          HD21      LEU   5  -7.891  10.206  -5.374
   43   2HD2  LEU   5          HD22      LEU   5  -7.701  11.914  -4.974
   44   3HD2  LEU   5          HD23      LEU   5  -8.537  11.442  -6.453
   45    H    THR   6           HN       THR   6  -4.366  10.066  -2.804
   46    HA   THR   6           HA       THR   6  -1.541   9.872  -3.118
   47    HB   THR   6           HB       THR   6  -3.061   9.861  -0.506
   48    HG1  THR   6           HG1      THR   6  -2.508  12.279  -0.839
   49   1HG2  THR   6          HG21      THR   6  -1.062  11.051   0.317
   50   2HG2  THR   6          HG22      THR   6  -0.316  10.865  -1.271
   51   3HG2  THR   6          HG23      THR   6  -0.676   9.441  -0.294
   52    H    PHE   7           HN       PHE   7  -4.054   7.807  -1.811
   53    HA   PHE   7           HA       PHE   7  -2.502   5.872  -0.539
   54   1HB   PHE   7          HB2       PHE   7  -5.003   6.165  -0.414
   55   2HB   PHE   7          HB3       PHE   7  -5.112   5.426  -2.007
   56    HD1  PHE   7           HD1      PHE   7  -4.863   4.856   1.529
   57    HD2  PHE   7           HD2      PHE   7  -4.321   3.062  -2.294
   58    HE1  PHE   7           HE1      PHE   7  -4.934   2.626   2.569
   59    HE2  PHE   7           HE2      PHE   7  -4.407   0.829  -1.260
   60    HZ   PHE   7           HZ       PHE   7  -4.741   0.624   1.200
   61    H    GLN   8           HN       GLN   8  -3.679   6.063  -3.864
   62    HA   GLN   8           HA       GLN   8  -2.783   3.618  -4.818
   63   1HB   GLN   8          HB2       GLN   8  -3.283   6.281  -6.076
   64   2HB   GLN   8          HB3       GLN   8  -2.608   4.968  -7.014
   65   1HG   GLN   8          HG2       GLN   8  -4.550   3.601  -6.574
   66   2HG   GLN   8          HG3       GLN   8  -5.206   4.845  -5.509
   67   1HE2  GLN   8          HE21      GLN   8  -6.015   6.744  -6.399
   68   2HE2  GLN   8          HE22      GLN   8  -6.443   6.859  -8.069
   69    H    LYS   9           HN       LYS   9  -1.189   6.766  -5.274
   70    HA   LYS   9           HA       LYS   9   1.096   5.909  -6.553
   71   1HB   LYS   9          HB2       LYS   9   0.956   8.139  -4.518
   72   2HB   LYS   9          HB3       LYS   9   2.110   7.989  -5.835
   73   1HG   LYS   9          HG2       LYS   9   0.516   8.509  -7.449
   74   2HG   LYS   9          HG3       LYS   9  -0.832   8.182  -6.357
   75   1HD   LYS   9          HD2       LYS   9  -0.099  10.133  -4.987
   76   2HD   LYS   9          HD3       LYS   9   1.101  10.494  -6.229
   77   1HE   LYS   9          HE2       LYS   9  -0.627  10.835  -7.871
   78   2HE   LYS   9          HE3       LYS   9  -1.865  10.307  -6.733
   79   1HZ   LYS   9          HZ1       LYS   9  -1.817  12.703  -6.911
   80   2HZ   LYS   9          HZ2       LYS   9  -0.182  12.743  -6.465
   81   3HZ   LYS   9          HZ3       LYS   9  -1.353  12.232  -5.351
   82    H    LYS  10           HN       LYS  10   0.284   5.802  -3.193
   83    HA   LYS  10           HA       LYS  10   3.051   5.393  -2.370
   84   1HB   LYS  10          HB2       LYS  10   1.257   6.955  -1.278
   85   2HB   LYS  10          HB3       LYS  10   0.715   5.480  -0.498
   86   1HG   LYS  10          HG2       LYS  10   2.676   5.251   0.724
   87   2HG   LYS  10          HG3       LYS  10   3.580   6.326  -0.347
   88   1HD   LYS  10          HD2       LYS  10   2.137   8.203   0.427
   89   2HD   LYS  10          HD3       LYS  10   1.406   7.102   1.596
   90   1HE   LYS  10          HE2       LYS  10   3.417   6.867   2.789
   91   2HE   LYS  10          HE3       LYS  10   4.372   7.563   1.480
   92   1HZ   LYS  10          HZ1       LYS  10   4.073   9.122   3.312
   93   2HZ   LYS  10          HZ2       LYS  10   2.386   9.044   3.131
   94   3HZ   LYS  10          HZ3       LYS  10   3.339   9.701   1.895
   95    H    HIS  11           HN       HIS  11   0.252   3.447  -2.978
   96    HA   HIS  11           HA       HIS  11   1.570   1.226  -1.574
   97   1HB   HIS  11          HB2       HIS  11  -1.329   1.983  -1.207
   98   2HB   HIS  11          HB3       HIS  11  -0.627   0.463  -0.667
   99    HD1  HIS  11           HD1      HIS  11   1.175   0.629   1.286
  100    HD2  HIS  11           HD2      HIS  11  -0.901   4.144   0.453
  101    HE1  HIS  11           HE1      HIS  11   1.531   2.125   3.282
  102    HE2  HIS  11           HE2      HIS  11   0.195   4.210   2.797
  103    H    ILE  12           HN       ILE  12   0.058   2.258  -4.391
  104    HA   ILE  12           HA       ILE  12  -0.779  -0.475  -5.074
  105    HB   ILE  12           HB       ILE  12  -1.374   2.135  -6.477
  106   1HG1  ILE  12          HG12      ILE  12  -2.610   1.894  -4.391
  107   2HG1  ILE  12          HG13      ILE  12  -3.697   1.717  -5.761
  108   1HG2  ILE  12          HG21      ILE  12  -2.884   0.847  -7.899
  109   2HG2  ILE  12          HG22      ILE  12  -1.211   0.314  -8.079
  110   3HG2  ILE  12          HG23      ILE  12  -2.344  -0.642  -7.121
  111   1HD1  ILE  12          HD11      ILE  12  -2.561  -0.519  -4.099
  112   2HD1  ILE  12          HD12      ILE  12  -4.207   0.109  -4.023
  113   3HD1  ILE  12          HD13      ILE  12  -3.643  -0.710  -5.480
  114    H    THR  13           HN       THR  13   0.743  -1.656  -6.031
  115    HA   THR  13           HA       THR  13   2.393  -0.344  -8.073
  116    HB   THR  13           HB       THR  13   3.717  -0.834  -5.980
  117    HG1  THR  13           HG1      THR  13   4.528  -0.775  -8.261
  118   1HG2  THR  13          HG21      THR  13   3.251  -3.692  -6.829
  119   2HG2  THR  13          HG22      THR  13   2.709  -2.944  -5.326
  120   3HG2  THR  13          HG23      THR  13   4.432  -3.167  -5.631
  121    H    ASN  14           HN       ASN  14   3.124  -1.753  -9.781
  122    HA   ASN  14           HA       ASN  14   1.186  -3.917 -10.248
  123   1HB   ASN  14          HB2       ASN  14   1.508  -3.471 -12.659
  124   2HB   ASN  14          HB3       ASN  14   0.906  -2.065 -11.790
  125   1HD2  ASN  14          HD21      ASN  14   3.534  -3.404 -13.592
  126   2HD2  ASN  14          HD22      ASN  14   4.468  -1.953 -13.700
  127    H    THR  15           HN       THR  15   3.882  -4.014  -8.945
  128    HA   THR  15           HA       THR  15   4.893  -6.262 -10.530
  129    HB   THR  15           HB       THR  15   6.396  -4.454 -11.090
  130    HG1  THR  15           HG1      THR  15   8.341  -5.315  -9.768
  131   1HG2  THR  15          HG21      THR  15   6.783  -4.058  -8.122
  132   2HG2  THR  15          HG22      THR  15   5.924  -2.963  -9.207
  133   3HG2  THR  15          HG23      THR  15   7.660  -3.217  -9.402
  134    H    ARG  16           HN       ARG  16   5.811  -7.947  -9.278
  135    HA   ARG  16           HA       ARG  16   4.956  -8.039  -6.542
  136   1HB   ARG  16          HB2       ARG  16   6.542  -9.965  -8.237
  137   2HB   ARG  16          HB3       ARG  16   6.241 -10.232  -6.527
  138   1HG   ARG  16          HG2       ARG  16   4.153  -9.973  -8.662
  139   2HG   ARG  16          HG3       ARG  16   4.652 -11.460  -7.844
  140   1HD   ARG  16          HD2       ARG  16   3.478  -9.044  -6.515
  141   2HD   ARG  16          HD3       ARG  16   2.585 -10.514  -6.895
  142    HE   ARG  16           HE       ARG  16   4.105 -11.655  -5.300
  143   1HH1  ARG  16          HH12      ARG  16   3.752  -8.168  -5.113
  144   2HH1  ARG  16          HH11      ARG  16   4.132  -8.090  -3.427
  145   1HH2  ARG  16          HH22      ARG  16   4.538 -11.552  -3.044
  146   2HH2  ARG  16          HH21      ARG  16   4.553 -10.003  -2.249
  147    H    ASP  17           HN       ASP  17   7.831  -7.213  -8.213
  148    HA   ASP  17           HA       ASP  17   9.191  -6.873  -5.623
  149   1HB   ASP  17          HB2       ASP  17  10.141  -8.615  -7.290
  150   2HB   ASP  17          HB3       ASP  17  10.657  -7.218  -8.228
  151    H    VAL  18           HN       VAL  18   8.672  -4.782  -5.266
  152    HA   VAL  18           HA       VAL  18   9.074  -2.822  -7.378
  153    HB   VAL  18           HB       VAL  18   7.101  -2.425  -6.094
  154   1HG1  VAL  18          HG11      VAL  18   7.522  -3.646  -4.083
  155   2HG1  VAL  18          HG12      VAL  18   8.846  -2.563  -3.644
  156   3HG1  VAL  18          HG13      VAL  18   7.185  -1.967  -3.647
  157   1HG2  VAL  18          HG21      VAL  18   9.259  -0.497  -5.260
  158   2HG2  VAL  18          HG22      VAL  18   8.275  -0.419  -6.722
  159   3HG2  VAL  18          HG23      VAL  18   7.524  -0.192  -5.142
  160    H    ASP  19           HN       ASP  19  10.778  -1.430  -7.492
  161    HA   ASP  19           HA       ASP  19  13.022  -2.036  -5.784
  162   1HB   ASP  19          HB2       ASP  19  13.256  -1.571  -8.251
  163   2HB   ASP  19          HB3       ASP  19  12.900   0.117  -7.897
  164    H    CYS  20           HN       CYS  20  12.306  -1.415  -3.823
  165    HA   CYS  20           HA       CYS  20  11.125   0.915  -3.008
  166   1HB   CYS  20          HB2       CYS  20  13.262  -0.483  -1.417
  167   2HB   CYS  20          HB3       CYS  20  11.833   0.360  -0.821
  168    H    ASP  21           HN       ASP  21  14.576   0.270  -3.376
  169    HA   ASP  21           HA       ASP  21  15.607   2.444  -2.034
  170   1HB   ASP  21          HB2       ASP  21  16.605   0.383  -3.658
  171   2HB   ASP  21          HB3       ASP  21  17.217   1.883  -4.348
  172    H    ASN  22           HN       ASN  22  14.668   2.270  -5.464
  173    HA   ASN  22           HA       ASN  22  15.436   5.021  -5.905
  174   1HB   ASN  22          HB2       ASN  22  15.563   3.308  -7.709
  175   2HB   ASN  22          HB3       ASN  22  13.810   3.194  -7.683
  176   1HD2  ASN  22          HD21      ASN  22  13.346   3.963  -9.673
  177   2HD2  ASN  22          HD22      ASN  22  13.718   5.567 -10.208
  178    H    ILE  23           HN       ILE  23  12.376   3.245  -5.850
  179    HA   ILE  23           HA       ILE  23  10.776   5.477  -6.411
  180    HB   ILE  23           HB       ILE  23  10.071   2.865  -5.081
  181   1HG1  ILE  23          HG12      ILE  23   9.766   3.938  -7.891
  182   2HG1  ILE  23          HG13      ILE  23  10.842   2.649  -7.367
  183   1HG2  ILE  23          HG21      ILE  23   8.194   4.985  -6.125
  184   2HG2  ILE  23          HG22      ILE  23   7.732   3.396  -5.511
  185   3HG2  ILE  23          HG23      ILE  23   8.451   4.587  -4.425
  186   1HD1  ILE  23          HD11      ILE  23   8.909   1.769  -8.527
  187   2HD1  ILE  23          HD12      ILE  23   8.912   1.259  -6.839
  188   3HD1  ILE  23          HD13      ILE  23   7.836   2.553  -7.366
  189    H    LEU  24           HN       LEU  24  11.877   4.168  -3.306
  190    HA   LEU  24           HA       LEU  24  10.095   5.895  -1.841
  191   1HB   LEU  24          HB2       LEU  24  12.387   4.254  -0.782
  192   2HB   LEU  24          HB3       LEU  24  11.115   4.995   0.167
  193    HG   LEU  24           HG       LEU  24  10.836   2.684  -1.751
  194   1HD1  LEU  24          HD11      LEU  24  10.164   1.460   0.235
  195   2HD1  LEU  24          HD12      LEU  24  11.782   2.136   0.429
  196   3HD1  LEU  24          HD13      LEU  24  10.404   2.902   1.221
  197   1HD2  LEU  24          HD21      LEU  24   8.492   2.626  -1.125
  198   2HD2  LEU  24          HD22      LEU  24   8.692   4.103  -0.183
  199   3HD2  LEU  24          HD23      LEU  24   8.890   4.140  -1.935
  200    H    SER  25           HN       SER  25  13.119   6.359  -3.286
  201    HA   SER  25           HA       SER  25  13.970   8.290  -1.269
  202   1HB   SER  25          HB2       SER  25  15.952   8.594  -2.857
  203   2HB   SER  25          HB3       SER  25  15.796   7.028  -2.065
  204    HG   SER  25           HG       SER  25  15.338   6.102  -3.922
  205    H    THR  26           HN       THR  26  11.780   8.349  -3.613
  206    HA   THR  26           HA       THR  26  12.408  10.912  -4.791
  207    HB   THR  26           HB       THR  26  10.193  10.750  -5.842
  208    HG1  THR  26           HG1      THR  26   9.788   8.170  -4.808
  209   1HG2  THR  26          HG21      THR  26  10.579   8.707  -7.168
  210   2HG2  THR  26          HG22      THR  26  11.777   8.181  -5.983
  211   3HG2  THR  26          HG23      THR  26  12.058   9.637  -6.939
  212    H    ASN  27           HN       ASN  27  10.569  12.606  -4.692
  213    HA   ASN  27           HA       ASN  27  10.398  13.509  -2.014
  214   1HB   ASN  27          HB2       ASN  27  10.464  15.047  -3.909
  215   2HB   ASN  27          HB3       ASN  27   8.913  14.441  -4.482
  216   1HD2  ASN  27          HD21      ASN  27  10.532  16.287  -1.994
  217   2HD2  ASN  27          HD22      ASN  27   9.117  17.117  -1.427
  218    H    LEU  28           HN       LEU  28   8.524  11.273  -3.706
  219    HA   LEU  28           HA       LEU  28   5.977  11.809  -2.521
  220   1HB   LEU  28          HB2       LEU  28   6.288  10.671  -4.702
  221   2HB   LEU  28          HB3       LEU  28   6.994   9.304  -3.864
  222    HG   LEU  28           HG       LEU  28   4.837   8.936  -2.696
  223   1HD1  LEU  28          HD11      LEU  28   2.830  10.078  -3.551
  224   2HD1  LEU  28          HD12      LEU  28   3.944  11.188  -2.754
  225   3HD1  LEU  28          HD13      LEU  28   3.859  11.136  -4.514
  226   1HD2  LEU  28          HD21      LEU  28   4.699   8.995  -5.706
  227   2HD2  LEU  28          HD22      LEU  28   5.359   7.694  -4.718
  228   3HD2  LEU  28          HD23      LEU  28   3.635   8.067  -4.651
  229    H    PHE  29           HN       PHE  29   8.822  10.254  -1.431
  230    HA   PHE  29           HA       PHE  29   7.348   9.087   0.834
  231   1HB   PHE  29          HB2       PHE  29   9.607   7.716  -0.649
  232   2HB   PHE  29          HB3       PHE  29   8.837   7.124   0.817
  233    HD1  PHE  29           HD1      PHE  29   8.590   7.443  -2.785
  234    HD2  PHE  29           HD2      PHE  29   6.540   6.271   0.751
  235    HE1  PHE  29           HE1      PHE  29   6.930   6.242  -4.147
  236    HE2  PHE  29           HE2      PHE  29   4.883   5.069  -0.600
  237    HZ   PHE  29           HZ       PHE  29   5.127   4.997  -3.068
  238    H    HIS  30           HN       HIS  30  10.204  10.456  -0.528
  239    HA   HIS  30           HA       HIS  30  12.136  11.249   0.260
  240   1HB   HIS  30          HB2       HIS  30  11.954  12.937   1.992
  241   2HB   HIS  30          HB3       HIS  30  10.649  13.068   0.840
  242    HD1  HIS  30           HD1      HIS  30  11.357  12.359   4.438
  243    HD2  HIS  30           HD2      HIS  30   8.101  12.626   1.868
  244    HE1  HIS  30           HE1      HIS  30   9.329  12.477   5.924
  245    HE2  HIS  30           HE2      HIS  30   7.395  12.862   4.347
  246    H    CYS  31           HN       CYS  31  11.902   8.625   0.891
  247    HA   CYS  31           HA       CYS  31  12.957   7.002   2.044
  248   1HB   CYS  31          HB2       CYS  31  14.547   9.205   3.363
  249   2HB   CYS  31          HB3       CYS  31  15.016   7.520   3.161
  250    H    LYS  32           HN       LYS  32  10.743   6.942   3.102
  251    HA   LYS  32           HA       LYS  32  10.647   7.596   5.899
  252   1HB   LYS  32          HB2       LYS  32   8.537   6.408   5.920
  253   2HB   LYS  32          HB3       LYS  32   8.600   7.477   4.530
  254   1HG   LYS  32          HG2       LYS  32   9.499   5.173   3.428
  255   2HG   LYS  32          HG3       LYS  32   8.413   4.550   4.664
  256   1HD   LYS  32          HD2       LYS  32   7.706   6.602   2.572
  257   2HD   LYS  32          HD3       LYS  32   7.271   4.894   2.524
  258   1HE   LYS  32          HE2       LYS  32   6.493   6.639   4.834
  259   2HE   LYS  32          HE3       LYS  32   5.534   6.584   3.359
  260   1HZ   LYS  32          HZ1       LYS  32   5.201   4.242   3.659
  261   2HZ   LYS  32          HZ2       LYS  32   4.741   5.044   5.080
  262   3HZ   LYS  32          HZ3       LYS  32   6.218   4.213   5.013
  263    H    ASP  33           HN       ASP  33   9.969   5.580   7.390
  264    HA   ASP  33           HA       ASP  33  12.304   3.946   7.548
  265   1HB   ASP  33          HB2       ASP  33   9.651   3.772   8.998
  266   2HB   ASP  33          HB3       ASP  33  11.028   2.737   9.355
  267    H    LYS  34           HN       LYS  34   8.897   3.126   6.962
  268    HA   LYS  34           HA       LYS  34   9.776   0.913   5.248
  269   1HB   LYS  34          HB2       LYS  34   7.615   0.681   7.338
  270   2HB   LYS  34          HB3       LYS  34   8.210  -0.597   6.296
  271   1HG   LYS  34          HG2       LYS  34  10.183  -0.821   7.491
  272   2HG   LYS  34          HG3       LYS  34  10.035   0.784   8.218
  273   1HD   LYS  34          HD2       LYS  34   8.023  -0.018   9.424
  274   2HD   LYS  34          HD3       LYS  34   8.345  -1.640   8.803
  275   1HE   LYS  34          HE2       LYS  34   9.216  -1.447  11.047
  276   2HE   LYS  34          HE3       LYS  34  10.551  -1.589   9.905
  277   1HZ   LYS  34          HZ1       LYS  34  11.028   0.691  10.102
  278   2HZ   LYS  34          HZ2       LYS  34  10.804   0.144  11.688
  279   3HZ   LYS  34          HZ3       LYS  34   9.577   1.023  10.912
  280    H    ASN  35           HN       ASN  35   8.069   0.139   3.821
  281    HA   ASN  35           HA       ASN  35   5.595   1.609   3.677
  282   1HB   ASN  35          HB2       ASN  35   7.341   3.022   2.427
  283   2HB   ASN  35          HB3       ASN  35   7.342   1.736   1.228
  284   1HD2  ASN  35          HD21      ASN  35   5.574   1.451  -0.076
  285   2HD2  ASN  35          HD22      ASN  35   4.290   2.608  -0.191
  286    H    THR  36           HN       THR  36   4.202  -0.030   3.411
  287    HA   THR  36           HA       THR  36   5.004  -2.398   1.920
  288    HB   THR  36           HB       THR  36   2.407  -1.847   3.375
  289    HG1  THR  36           HG1      THR  36   4.359  -3.607   4.373
  290   1HG2  THR  36          HG21      THR  36   2.248  -3.615   1.672
  291   2HG2  THR  36          HG22      THR  36   2.103  -4.267   3.303
  292   3HG2  THR  36          HG23      THR  36   3.616  -4.446   2.413
  293    H    PHE  37           HN       PHE  37   4.668  -2.516  -0.199
  294    HA   PHE  37           HA       PHE  37   2.488  -0.970  -1.408
  295   1HB   PHE  37          HB2       PHE  37   4.738  -2.527  -2.706
  296   2HB   PHE  37          HB3       PHE  37   3.506  -1.623  -3.573
  297    HD1  PHE  37           HD1      PHE  37   6.416  -1.347  -1.349
  298    HD2  PHE  37           HD2      PHE  37   3.673   0.753  -3.843
  299    HE1  PHE  37           HE1      PHE  37   7.867   0.636  -1.283
  300    HE2  PHE  37           HE2      PHE  37   5.129   2.725  -3.781
  301    HZ   PHE  37           HZ       PHE  37   7.227   2.657  -2.511
  302    H    ILE  38           HN       ILE  38   1.104  -1.990  -2.950
  303    HA   ILE  38           HA       ILE  38   0.528  -4.807  -2.298
  304    HB   ILE  38           HB       ILE  38  -1.383  -2.600  -3.105
  305   1HG1  ILE  38          HG12      ILE  38  -1.188  -4.001  -0.435
  306   2HG1  ILE  38          HG13      ILE  38  -0.396  -2.467  -0.778
  307   1HG2  ILE  38          HG21      ILE  38  -2.041  -4.857  -3.888
  308   2HG2  ILE  38          HG22      ILE  38  -2.025  -5.409  -2.214
  309   3HG2  ILE  38          HG23      ILE  38  -3.173  -4.165  -2.724
  310   1HD1  ILE  38          HD11      ILE  38  -2.556  -1.437  -1.201
  311   2HD1  ILE  38          HD12      ILE  38  -3.359  -2.977  -0.892
  312   3HD1  ILE  38          HD13      ILE  38  -2.495  -2.155   0.408
  313    H    TYR  39           HN       TYR  39   0.918  -6.124  -3.994
  314    HA   TYR  39           HA       TYR  39   0.960  -5.098  -6.687
  315   1HB   TYR  39          HB2       TYR  39   2.524  -6.871  -6.219
  316   2HB   TYR  39          HB3       TYR  39   1.239  -7.916  -5.617
  317    HD1  TYR  39           HD1      TYR  39   2.337  -6.133  -8.709
  318    HD2  TYR  39           HD2      TYR  39   0.237  -9.448  -7.062
  319    HE1  TYR  39           HE1      TYR  39   2.082  -7.082 -10.961
  320    HE2  TYR  39           HE2      TYR  39  -0.020 -10.404  -9.311
  321    HH   TYR  39           HH       TYR  39  -0.025  -9.677 -11.646
  322    H    SER  40           HN       SER  40  -1.034  -4.323  -7.016
  323    HA   SER  40           HA       SER  40  -2.947  -6.060  -8.109
  324   1HB   SER  40          HB2       SER  40  -3.471  -6.516  -5.712
  325   2HB   SER  40          HB3       SER  40  -3.736  -4.792  -5.461
  326    HG   SER  40           HG       SER  40  -5.599  -4.908  -6.479
  327    H    ARG  41           HN       ARG  41  -4.498  -4.841  -9.257
  328    HA   ARG  41           HA       ARG  41  -3.676  -2.189  -9.828
  329   1HB   ARG  41          HB2       ARG  41  -6.027  -3.831 -10.717
  330   2HB   ARG  41          HB3       ARG  41  -5.854  -2.151 -11.185
  331   1HG   ARG  41          HG2       ARG  41  -3.820  -4.299 -11.722
  332   2HG   ARG  41          HG3       ARG  41  -5.004  -3.704 -12.890
  333   1HD   ARG  41          HD2       ARG  41  -4.052  -1.546 -12.904
  334   2HD   ARG  41          HD3       ARG  41  -3.083  -1.881 -11.474
  335    HE   ARG  41           HE       ARG  41  -2.239  -3.671 -13.399
  336   1HH1  ARG  41          HH12      ARG  41  -2.512  -0.185 -13.109
  337   2HH1  ARG  41          HH11      ARG  41  -1.061   0.133 -14.027
  338   1HH2  ARG  41          HH22      ARG  41  -0.316  -3.259 -14.594
  339   2HH2  ARG  41          HH21      ARG  41   0.181  -1.613 -14.877
  340    HA   PRO  42           HA       PRO  42  -5.837   0.321  -6.994
  341   1HB   PRO  42          HB2       PRO  42  -6.941   2.169  -8.757
  342   2HB   PRO  42          HB3       PRO  42  -5.308   2.242  -8.102
  343   1HG   PRO  42          HG2       PRO  42  -6.264   1.244 -10.737
  344   2HG   PRO  42          HG3       PRO  42  -4.788   2.136 -10.347
  345   1HD   PRO  42          HD2       PRO  42  -4.764  -0.509 -10.825
  346   2HD   PRO  42          HD3       PRO  42  -3.686   0.237  -9.620
  347    H    GLU  43           HN       GLU  43  -7.580  -0.873  -9.798
  348    HA   GLU  43           HA       GLU  43 -10.146  -0.026  -8.987
  349   1HB   GLU  43          HB2       GLU  43  -9.208  -2.106 -10.943
  350   2HB   GLU  43          HB3       GLU  43 -10.900  -1.718 -10.699
  351   1HG   GLU  43          HG2       GLU  43  -8.749   0.167 -11.623
  352   2HG   GLU  43          HG3       GLU  43 -10.042  -0.521 -12.604
  353    HA   PRO  44           HA       PRO  44 -10.840  -4.584  -7.446
  354   1HB   PRO  44          HB2       PRO  44  -8.544  -5.999  -6.929
  355   2HB   PRO  44          HB3       PRO  44  -9.503  -6.153  -8.399
  356   1HG   PRO  44          HG2       PRO  44  -6.998  -4.602  -7.919
  357   2HG   PRO  44          HG3       PRO  44  -7.481  -5.548  -9.340
  358   1HD   PRO  44          HD2       PRO  44  -7.648  -2.857  -9.293
  359   2HD   PRO  44          HD3       PRO  44  -8.811  -3.854 -10.162
  360    H    VAL  45           HN       VAL  45  -8.264  -2.500  -6.397
  361    HA   VAL  45           HA       VAL  45  -8.504  -3.377  -3.628
  362    HB   VAL  45           HB       VAL  45  -6.816  -1.181  -4.851
  363   1HG1  VAL  45          HG11      VAL  45  -6.848  -2.214  -2.018
  364   2HG1  VAL  45          HG12      VAL  45  -5.679  -1.071  -2.684
  365   3HG1  VAL  45          HG13      VAL  45  -7.378  -0.617  -2.549
  366   1HG2  VAL  45          HG21      VAL  45  -6.081  -3.900  -3.786
  367   2HG2  VAL  45          HG22      VAL  45  -6.108  -3.418  -5.482
  368   3HG2  VAL  45          HG23      VAL  45  -4.947  -2.685  -4.375
  369    H    LYS  46           HN       LYS  46  -9.483  -0.721  -5.704
  370    HA   LYS  46           HA       LYS  46 -10.621   0.890  -3.648
  371   1HB   LYS  46          HB2       LYS  46 -10.015   1.675  -5.960
  372   2HB   LYS  46          HB3       LYS  46 -11.393   0.776  -6.572
  373   1HG   LYS  46          HG2       LYS  46 -12.900   2.167  -5.263
  374   2HG   LYS  46          HG3       LYS  46 -11.522   3.053  -4.605
  375   1HD   LYS  46          HD2       LYS  46 -10.903   3.677  -6.938
  376   2HD   LYS  46          HD3       LYS  46 -12.405   2.933  -7.486
  377   1HE   LYS  46          HE2       LYS  46 -13.663   4.491  -6.057
  378   2HE   LYS  46          HE3       LYS  46 -12.151   5.246  -5.567
  379   1HZ   LYS  46          HZ1       LYS  46 -13.308   6.461  -7.345
  380   2HZ   LYS  46          HZ2       LYS  46 -13.145   5.117  -8.368
  381   3HZ   LYS  46          HZ3       LYS  46 -11.766   5.940  -7.818
  382    H    ALA  47           HN       ALA  47 -11.693  -1.799  -5.585
  383    HA   ALA  47           HA       ALA  47 -14.454  -1.656  -5.091
  384   1HB   ALA  47          HB1       ALA  47 -13.460  -3.047  -6.853
  385   2HB   ALA  47          HB2       ALA  47 -12.785  -4.112  -5.620
  386   3HB   ALA  47          HB3       ALA  47 -14.533  -3.975  -5.807
  387    H    ILE  48           HN       ILE  48 -11.838  -2.619  -3.065
  388    HA   ILE  48           HA       ILE  48 -13.234  -4.249  -1.229
  389    HB   ILE  48           HB       ILE  48 -10.893  -2.412  -0.652
  390   1HG1  ILE  48          HG12      ILE  48 -10.892  -5.337  -1.440
  391   2HG1  ILE  48          HG13      ILE  48 -10.515  -4.014  -2.540
  392   1HG2  ILE  48          HG21      ILE  48 -11.871  -4.873   0.790
  393   2HG2  ILE  48          HG22      ILE  48 -10.436  -3.934   1.200
  394   3HG2  ILE  48          HG23      ILE  48 -12.038  -3.213   1.357
  395   1HD1  ILE  48          HD11      ILE  48  -8.616  -3.404  -1.119
  396   2HD1  ILE  48          HD12      ILE  48  -8.987  -4.764  -0.062
  397   3HD1  ILE  48          HD13      ILE  48  -8.495  -5.053  -1.730
  398    H    CYS  49           HN       CYS  49 -12.975  -0.808  -1.699
  399    HA   CYS  49           HA       CYS  49 -14.501  -0.280   0.748
  400   1HB   CYS  49          HB2       CYS  49 -12.910   1.526  -1.074
  401   2HB   CYS  49          HB3       CYS  49 -13.831   2.092   0.314
  402    H    LYS  50           HN       LYS  50 -15.319  -1.109  -2.196
  403    HA   LYS  50           HA       LYS  50 -16.877   0.983  -3.241
  404   1HB   LYS  50          HB2       LYS  50 -16.214  -0.977  -4.569
  405   2HB   LYS  50          HB3       LYS  50 -17.246  -1.999  -3.576
  406   1HG   LYS  50          HG2       LYS  50 -19.210  -0.833  -4.353
  407   2HG   LYS  50          HG3       LYS  50 -18.209   0.283  -5.280
  408   1HD   LYS  50          HD2       LYS  50 -18.373  -2.696  -5.721
  409   2HD   LYS  50          HD3       LYS  50 -19.207  -1.475  -6.684
  410   1HE   LYS  50          HE2       LYS  50 -16.978  -0.499  -7.238
  411   2HE   LYS  50          HE3       LYS  50 -16.230  -1.869  -6.419
  412   1HZ   LYS  50          HZ1       LYS  50 -16.312  -2.308  -8.755
  413   2HZ   LYS  50          HZ2       LYS  50 -17.974  -1.967  -8.820
  414   3HZ   LYS  50          HZ3       LYS  50 -17.423  -3.340  -7.990
  415    H    GLY  51           HN       GLY  51 -18.472   1.953  -2.216
  416   1HA   GLY  51          HA1       GLY  51 -20.788   1.908  -1.630
  417   2HA   GLY  51          HA2       GLY  51 -20.563   0.282  -1.005
  418    H    ILE  52           HN       ILE  52 -17.937   1.866   0.070
  419    HA   ILE  52           HA       ILE  52 -19.240   2.378   2.651
  420    HB   ILE  52           HB       ILE  52 -16.265   2.248   2.199
  421   1HG1  ILE  52          HG12      ILE  52 -17.189   0.137   1.374
  422   2HG1  ILE  52          HG13      ILE  52 -16.341  -0.117   2.894
  423   1HG2  ILE  52          HG21      ILE  52 -17.986   1.798   4.633
  424   2HG2  ILE  52          HG22      ILE  52 -16.227   1.680   4.580
  425   3HG2  ILE  52          HG23      ILE  52 -17.015   3.232   4.292
  426   1HD1  ILE  52          HD11      ILE  52 -18.396  -1.396   2.810
  427   2HD1  ILE  52          HD12      ILE  52 -18.480  -0.168   4.074
  428   3HD1  ILE  52          HD13      ILE  52 -19.323   0.080   2.543
  429    H    ILE  53           HN       ILE  53 -20.017   4.457   2.395
  430    HA   ILE  53           HA       ILE  53 -18.344   6.532   1.300
  431    HB   ILE  53           HB       ILE  53 -21.145   6.506   2.408
  432   1HG1  ILE  53          HG12      ILE  53 -21.722   7.191   0.107
  433   2HG1  ILE  53          HG13      ILE  53 -20.031   7.103  -0.344
  434   1HG2  ILE  53          HG21      ILE  53 -19.599   8.908   1.443
  435   2HG2  ILE  53          HG22      ILE  53 -21.330   8.875   1.780
  436   3HG2  ILE  53          HG23      ILE  53 -20.172   8.618   3.086
  437   1HD1  ILE  53          HD11      ILE  53 -21.249   5.165  -1.122
  438   2HD1  ILE  53          HD12      ILE  53 -20.061   4.697   0.096
  439   3HD1  ILE  53          HD13      ILE  53 -21.771   4.807   0.526
  440    H    ALA  54           HN       ALA  54 -19.718   5.711   4.467
  441    HA   ALA  54           HA       ALA  54 -18.382   7.893   5.782
  442   1HB   ALA  54          HB1       ALA  54 -20.505   7.001   6.629
  443   2HB   ALA  54          HB2       ALA  54 -19.718   5.458   6.965
  444   3HB   ALA  54          HB3       ALA  54 -19.228   6.908   7.842
  445    H    SER  55           HN       SER  55 -16.491   7.885   6.855
  446    HA   SER  55           HA       SER  55 -14.429   6.193   6.183
  447   1HB   SER  55          HB2       SER  55 -13.337   7.132   8.314
  448   2HB   SER  55          HB3       SER  55 -13.860   8.288   7.087
  449    HG   SER  55           HG       SER  55 -15.655   7.564   9.114
  450    H    LYS  56           HN       LYS  56 -14.383   4.076   6.458
  451    HA   LYS  56           HA       LYS  56 -14.704   3.012   9.173
  452   1HB   LYS  56          HB2       LYS  56 -16.846   2.618   8.092
  453   2HB   LYS  56          HB3       LYS  56 -16.049   1.913   6.694
  454   1HG   LYS  56          HG2       LYS  56 -15.208   0.092   8.159
  455   2HG   LYS  56          HG3       LYS  56 -16.164   0.773   9.478
  456   1HD   LYS  56          HD2       LYS  56 -18.204   0.435   8.216
  457   2HD   LYS  56          HD3       LYS  56 -17.280  -0.149   6.831
  458   1HE   LYS  56          HE2       LYS  56 -18.203  -2.030   8.014
  459   2HE   LYS  56          HE3       LYS  56 -16.453  -2.018   8.225
  460   1HZ   LYS  56          HZ1       LYS  56 -16.734  -1.078  10.415
  461   2HZ   LYS  56          HZ2       LYS  56 -17.648  -2.502  10.289
  462   3HZ   LYS  56          HZ3       LYS  56 -18.418  -0.992  10.203
  463    H    ASN  57           HN       ASN  57 -13.135   1.617   9.699
  464    HA   ASN  57           HA       ASN  57 -11.119   0.923   7.743
  465   1HB   ASN  57          HB2       ASN  57 -11.406   0.187  10.670
  466   2HB   ASN  57          HB3       ASN  57 -10.014  -0.213   9.672
  467   1HD2  ASN  57          HD21      ASN  57 -10.170   1.376  12.104
  468   2HD2  ASN  57          HD22      ASN  57  -9.530   2.931  11.698
  469    H    VAL  58           HN       VAL  58 -11.382  -0.765   6.414
  470    HA   VAL  58           HA       VAL  58 -12.936  -3.050   7.435
  471    HB   VAL  58           HB       VAL  58 -13.726  -3.536   5.253
  472   1HG1  VAL  58          HG11      VAL  58 -14.998  -1.534   4.672
  473   2HG1  VAL  58          HG12      VAL  58 -14.974  -1.818   6.412
  474   3HG1  VAL  58          HG13      VAL  58 -13.942  -0.572   5.706
  475   1HG2  VAL  58          HG21      VAL  58 -13.137  -2.226   3.269
  476   2HG2  VAL  58          HG22      VAL  58 -11.952  -1.336   4.225
  477   3HG2  VAL  58          HG23      VAL  58 -11.745  -3.068   3.953
  478    H    LEU  59           HN       LEU  59 -12.137  -5.042   7.264
  479    HA   LEU  59           HA       LEU  59  -9.344  -5.304   6.434
  480   1HB   LEU  59          HB2       LEU  59 -10.183  -5.936   8.741
  481   2HB   LEU  59          HB3       LEU  59 -11.074  -7.225   7.979
  482    HG   LEU  59           HG       LEU  59  -8.825  -7.742   9.120
  483   1HD1  LEU  59          HD11      LEU  59 -10.070  -9.362   7.829
  484   2HD1  LEU  59          HD12      LEU  59  -9.378  -8.722   6.339
  485   3HD1  LEU  59          HD13      LEU  59  -8.340  -9.508   7.527
  486   1HD2  LEU  59          HD21      LEU  59  -7.501  -6.016   8.140
  487   2HD2  LEU  59          HD22      LEU  59  -6.899  -7.584   7.595
  488   3HD2  LEU  59          HD23      LEU  59  -7.880  -6.594   6.513
  489    H    THR  60           HN       THR  60  -8.718  -6.751   4.851
  490    HA   THR  60           HA       THR  60 -10.716  -7.293   2.872
  491    HB   THR  60           HB       THR  60  -8.815  -8.264   1.560
  492    HG1  THR  60           HG1      THR  60  -7.212  -8.905   2.794
  493   1HG2  THR  60          HG21      THR  60  -8.329  -5.529   2.743
  494   2HG2  THR  60          HG22      THR  60  -9.391  -5.890   1.380
  495   3HG2  THR  60          HG23      THR  60  -7.650  -6.137   1.236
  496    H    THR  61           HN       THR  61 -11.319  -9.224   1.990
  497    HA   THR  61           HA       THR  61 -11.795 -11.273   3.905
  498    HB   THR  61           HB       THR  61 -12.879 -12.350   1.820
  499    HG1  THR  61           HG1      THR  61 -12.282 -11.326   0.042
  500   1HG2  THR  61          HG21      THR  61 -13.761  -9.646   2.842
  501   2HG2  THR  61          HG22      THR  61 -14.160 -11.213   3.553
  502   3HG2  THR  61          HG23      THR  61 -14.787 -10.780   1.963
  503    H    SER  62           HN       SER  62  -9.354 -10.762   1.590
  504    HA   SER  62           HA       SER  62  -8.352 -13.472   1.958
  505   1HB   SER  62          HB2       SER  62  -9.680 -13.341  -0.214
  506   2HB   SER  62          HB3       SER  62  -8.454 -12.216  -0.788
  507    HG   SER  62           HG       SER  62  -7.435 -13.946  -1.377
  508    H    GLU  63           HN       GLU  63  -6.109 -13.540   0.726
  509    HA   GLU  63           HA       GLU  63  -4.620 -11.269   1.821
  510   1HB   GLU  63          HB2       GLU  63  -3.453 -13.857   0.779
  511   2HB   GLU  63          HB3       GLU  63  -2.670 -12.646   1.773
  512   1HG   GLU  63          HG2       GLU  63  -3.920 -13.230   3.674
  513   2HG   GLU  63          HG3       GLU  63  -5.038 -14.207   2.731
  514    H    PHE  64           HN       PHE  64  -3.385  -9.960   0.605
  515    HA   PHE  64           HA       PHE  64  -3.473 -10.395  -2.300
  516   1HB   PHE  64          HB2       PHE  64  -3.208  -7.884  -0.661
  517   2HB   PHE  64          HB3       PHE  64  -2.844  -7.922  -2.379
  518    HD1  PHE  64           HD1      PHE  64  -4.558  -7.716  -3.970
  519    HD2  PHE  64           HD2      PHE  64  -5.526  -8.543   0.090
  520    HE1  PHE  64           HE1      PHE  64  -6.941  -7.368  -4.473
  521    HE2  PHE  64           HE2      PHE  64  -7.911  -8.196  -0.405
  522    HZ   PHE  64           HZ       PHE  64  -8.606  -7.563  -2.731
  523    H    TYR  65           HN       TYR  65  -1.539  -9.541  -3.455
  524    HA   TYR  65           HA       TYR  65   0.794 -10.749  -2.251
  525   1HB   TYR  65          HB2       TYR  65   0.487  -9.476  -4.978
  526   2HB   TYR  65          HB3       TYR  65   1.805 -10.517  -4.450
  527    HD1  TYR  65           HD1      TYR  65  -1.272 -10.406  -6.145
  528    HD2  TYR  65           HD2      TYR  65   1.064 -12.900  -3.613
  529    HE1  TYR  65           HE1      TYR  65  -2.547 -12.367  -6.907
  530    HE2  TYR  65           HE2      TYR  65  -0.198 -14.867  -4.371
  531    HH   TYR  65           HH       TYR  65  -2.488 -15.317  -5.333
  532    H    LEU  66           HN       LEU  66   1.826  -9.518  -0.829
  533    HA   LEU  66           HA       LEU  66   1.914  -6.624  -1.272
  534   1HB   LEU  66          HB2       LEU  66   2.524  -8.183   1.234
  535   2HB   LEU  66          HB3       LEU  66   2.393  -6.440   1.095
  536    HG   LEU  66           HG       LEU  66   0.144  -8.416   0.735
  537   1HD1  LEU  66          HD11      LEU  66   0.815  -8.181   3.053
  538   2HD1  LEU  66          HD12      LEU  66   0.716  -6.425   2.918
  539   3HD1  LEU  66          HD13      LEU  66  -0.744  -7.402   2.780
  540   1HD2  LEU  66          HD21      LEU  66  -0.168  -6.513  -0.726
  541   2HD2  LEU  66          HD22      LEU  66  -1.297  -6.426   0.626
  542   3HD2  LEU  66          HD23      LEU  66   0.142  -5.403   0.612
  543    H    SER  67           HN       SER  67   3.830  -5.473  -1.072
  544    HA   SER  67           HA       SER  67   6.308  -7.051  -0.872
  545   1HB   SER  67          HB2       SER  67   5.891  -4.629  -2.655
  546   2HB   SER  67          HB3       SER  67   7.339  -5.633  -2.553
  547    HG   SER  67           HG       SER  67   6.460  -6.888  -3.983
  548    H    ASP  68           HN       ASP  68   7.183  -6.502   1.005
  549    HA   ASP  68           HA       ASP  68   6.513  -3.937   2.216
  550   1HB   ASP  68          HB2       ASP  68   7.846  -6.419   3.302
  551   2HB   ASP  68          HB3       ASP  68   7.720  -4.926   4.223
  552    H    CYS  69           HN       CYS  69   7.779  -2.295   1.688
  553    HA   CYS  69           HA       CYS  69  10.633  -2.717   1.318
  554   1HB   CYS  69          HB2       CYS  69   8.881  -0.263   1.091
  555   2HB   CYS  69          HB3       CYS  69  10.622  -0.254   0.821
  556    H    ASN  70           HN       ASN  70  11.970  -2.630   2.979
  557    HA   ASN  70           HA       ASN  70  11.260  -0.937   5.267
  558   1HB   ASN  70          HB2       ASN  70  12.060  -2.726   6.800
  559   2HB   ASN  70          HB3       ASN  70  10.620  -3.188   5.902
  560   1HD2  ASN  70          HD21      ASN  70  10.799  -4.733   4.240
  561   2HD2  ASN  70          HD22      ASN  70  12.156  -5.797   4.140
  562    H    VAL  71           HN       VAL  71  12.861   0.133   6.186
  563    HA   VAL  71           HA       VAL  71  15.322   0.380   4.776
  564    HB   VAL  71           HB       VAL  71  14.182   2.260   5.919
  565   1HG1  VAL  71          HG11      VAL  71  14.442   2.547   8.343
  566   2HG1  VAL  71          HG12      VAL  71  13.437   1.158   7.933
  567   3HG1  VAL  71          HG13      VAL  71  15.105   0.916   8.453
  568   1HG2  VAL  71          HG21      VAL  71  17.000   1.724   6.845
  569   2HG2  VAL  71          HG22      VAL  71  16.519   2.454   5.313
  570   3HG2  VAL  71          HG23      VAL  71  16.209   3.301   6.827
  571    H    THR  72           HN       THR  72  17.314  -0.357   5.247
  572    HA   THR  72           HA       THR  72  17.487  -2.535   7.164
  573    HB   THR  72           HB       THR  72  19.733  -2.907   6.154
  574    HG1  THR  72           HG1      THR  72  20.284  -1.639   4.309
  575   1HG2  THR  72          HG21      THR  72  17.465  -2.629   4.177
  576   2HG2  THR  72          HG22      THR  72  17.790  -4.027   5.200
  577   3HG2  THR  72          HG23      THR  72  18.925  -3.585   3.924
  578    H    SER  73           HN       SER  73  20.530  -1.708   7.092
  579    HA   SER  73           HA       SER  73  20.390  -0.355   9.652
  580   1HB   SER  73          HB2       SER  73  22.761  -1.506   8.215
  581   2HB   SER  73          HB3       SER  73  22.741  -0.937   9.880
  582    HG   SER  73           HG       SER  73  20.991  -2.559  10.155
  583    H    ARG  74           HN       ARG  74  20.645   0.508   6.454
  584    HA   ARG  74           HA       ARG  74  22.034   2.996   7.120
  585   1HB   ARG  74          HB2       ARG  74  23.274   1.886   5.420
  586   2HB   ARG  74          HB3       ARG  74  21.813   1.455   4.537
  587   1HG   ARG  74          HG2       ARG  74  21.420   3.842   4.123
  588   2HG   ARG  74          HG3       ARG  74  22.974   4.208   4.874
  589   1HD   ARG  74          HD2       ARG  74  22.460   2.616   2.364
  590   2HD   ARG  74          HD3       ARG  74  23.284   4.168   2.499
  591    HE   ARG  74           HE       ARG  74  24.680   2.353   4.074
  592   1HH1  ARG  74          HH12      ARG  74  24.003   2.952   0.692
  593   2HH1  ARG  74          HH11      ARG  74  25.391   2.068   0.127
  594   1HH2  ARG  74          HH22      ARG  74  26.492   1.188   3.342
  595   2HH2  ARG  74          HH21      ARG  74  26.808   1.069   1.633
  596    HA   PRO  75           HA       PRO  75  18.064   4.924   6.617
  597   1HB   PRO  75          HB2       PRO  75  18.916   7.473   6.104
  598   2HB   PRO  75          HB3       PRO  75  18.857   6.760   7.719
  599   1HG   PRO  75          HG2       PRO  75  21.185   7.097   5.877
  600   2HG   PRO  75          HG3       PRO  75  21.103   7.309   7.635
  601   1HD   PRO  75          HD2       PRO  75  22.149   5.094   6.476
  602   2HD   PRO  75          HD3       PRO  75  21.316   5.047   8.040
  603    H    CYS  76           HN       CYS  76  16.704   5.140   4.963
  604    HA   CYS  76           HA       CYS  76  15.852   5.303   2.880
  605   1HB   CYS  76          HB2       CYS  76  17.059   7.531   2.969
  606   2HB   CYS  76          HB3       CYS  76  18.358   6.768   2.061
  607    H    LYS  77           HN       LYS  77  18.037   3.272   3.689
  608    HA   LYS  77           HA       LYS  77  18.375   2.153   0.988
  609   1HB   LYS  77          HB2       LYS  77  20.519   2.352   2.050
  610   2HB   LYS  77          HB3       LYS  77  19.908   1.671   3.550
  611   1HG   LYS  77          HG2       LYS  77  21.320   0.110   2.280
  612   2HG   LYS  77          HG3       LYS  77  19.681  -0.496   2.532
  613   1HD   LYS  77          HD2       LYS  77  19.215   0.570   0.209
  614   2HD   LYS  77          HD3       LYS  77  20.970   0.501   0.025
  615   1HE   LYS  77          HE2       LYS  77  20.999  -1.842   0.218
  616   2HE   LYS  77          HE3       LYS  77  19.353  -1.891   0.850
  617   1HZ   LYS  77          HZ1       LYS  77  18.646  -0.986  -1.367
  618   2HZ   LYS  77          HZ2       LYS  77  19.231  -2.578  -1.375
  619   3HZ   LYS  77          HZ3       LYS  77  20.217  -1.313  -1.926
  620    H    TYR  78           HN       TYR  78  17.065   0.474   0.488
  621    HA   TYR  78           HA       TYR  78  15.564  -0.686   2.744
  622   1HB   TYR  78          HB2       TYR  78  14.562  -0.126  -0.047
  623   2HB   TYR  78          HB3       TYR  78  13.626  -0.821   1.273
  624    HD1  TYR  78           HD1      TYR  78  12.967   0.556   3.191
  625    HD2  TYR  78           HD2      TYR  78  15.014   2.219  -0.147
  626    HE1  TYR  78           HE1      TYR  78  12.315   2.810   3.920
  627    HE2  TYR  78           HE2      TYR  78  14.368   4.478   0.574
  628    HH   TYR  78           HH       TYR  78  12.802   5.590   1.926
  629    H    LYS  79           HN       LYS  79  14.749  -2.757   2.532
  630    HA   LYS  79           HA       LYS  79  15.929  -4.437   0.418
  631   1HB   LYS  79          HB2       LYS  79  16.955  -5.017   2.521
  632   2HB   LYS  79          HB3       LYS  79  15.398  -5.063   3.330
  633   1HG   LYS  79          HG2       LYS  79  14.792  -7.009   1.914
  634   2HG   LYS  79          HG3       LYS  79  16.435  -6.980   1.265
  635   1HD   LYS  79          HD2       LYS  79  16.144  -8.604   3.115
  636   2HD   LYS  79          HD3       LYS  79  17.361  -7.371   3.454
  637   1HE   LYS  79          HE2       LYS  79  15.502  -6.091   4.630
  638   2HE   LYS  79          HE3       LYS  79  14.561  -7.577   4.531
  639   1HZ   LYS  79          HZ1       LYS  79  16.176  -8.715   5.846
  640   2HZ   LYS  79          HZ2       LYS  79  15.770  -7.275   6.651
  641   3HZ   LYS  79          HZ3       LYS  79  17.235  -7.388   5.806
  642    H    LEU  80           HN       LEU  80  14.471  -5.703  -0.698
  643    HA   LEU  80           HA       LEU  80  11.690  -5.079  -0.254
  644   1HB   LEU  80          HB2       LEU  80  12.844  -5.241  -2.527
  645   2HB   LEU  80          HB3       LEU  80  12.786  -6.977  -2.313
  646    HG   LEU  80           HG       LEU  80  10.956  -5.838  -3.719
  647   1HD1  LEU  80          HD11      LEU  80   9.263  -7.431  -3.020
  648   2HD1  LEU  80          HD12      LEU  80  10.860  -8.178  -3.088
  649   3HD1  LEU  80          HD13      LEU  80  10.162  -7.733  -1.531
  650   1HD2  LEU  80          HD21      LEU  80   9.014  -5.072  -2.476
  651   2HD2  LEU  80          HD22      LEU  80   9.920  -5.243  -0.970
  652   3HD2  LEU  80          HD23      LEU  80  10.427  -4.058  -2.174
  653    H    LYS  81           HN       LYS  81  10.110  -6.460   0.330
  654    HA   LYS  81           HA       LYS  81  10.892  -9.127   1.268
  655   1HB   LYS  81          HB2       LYS  81  10.997  -7.716   3.226
  656   2HB   LYS  81          HB3       LYS  81   9.422  -7.026   2.868
  657   1HG   LYS  81          HG2       LYS  81   8.347  -9.140   3.316
  658   2HG   LYS  81          HG3       LYS  81   9.914  -9.914   3.562
  659   1HD   LYS  81          HD2       LYS  81  10.337  -8.537   5.500
  660   2HD   LYS  81          HD3       LYS  81   8.852  -7.627   5.221
  661   1HE   LYS  81          HE2       LYS  81   8.925 -10.592   5.746
  662   2HE   LYS  81          HE3       LYS  81   8.711  -9.382   7.009
  663   1HZ   LYS  81          HZ1       LYS  81   6.918  -9.653   4.653
  664   2HZ   LYS  81          HZ2       LYS  81   6.682  -8.667   6.015
  665   3HZ   LYS  81          HZ3       LYS  81   6.616 -10.356   6.165
  666    H    LYS  82           HN       LYS  82   9.672 -10.493   0.177
  667    HA   LYS  82           HA       LYS  82   7.123  -9.647  -0.900
  668   1HB   LYS  82          HB2       LYS  82   8.527 -12.319  -1.079
  669   2HB   LYS  82          HB3       LYS  82   7.140 -11.811  -2.036
  670   1HG   LYS  82          HG2       LYS  82   8.436 -10.145  -3.156
  671   2HG   LYS  82          HG3       LYS  82   9.812 -10.429  -2.083
  672   1HD   LYS  82          HD2       LYS  82   9.950 -12.748  -2.930
  673   2HD   LYS  82          HD3       LYS  82   8.648 -12.386  -4.059
  674   1HE   LYS  82          HE2       LYS  82  11.296 -10.952  -3.975
  675   2HE   LYS  82          HE3       LYS  82  10.908 -12.273  -5.073
  676   1HZ   LYS  82          HZ1       LYS  82  10.541 -10.339  -6.289
  677   2HZ   LYS  82          HZ2       LYS  82   9.768  -9.552  -5.006
  678   3HZ   LYS  82          HZ3       LYS  82   8.987 -10.821  -5.810
  679    H    SER  83           HN       SER  83   5.233  -9.970   0.037
  680    HA   SER  83           HA       SER  83   4.944 -12.100   2.035
  681   1HB   SER  83          HB2       SER  83   3.886  -9.306   2.486
  682   2HB   SER  83          HB3       SER  83   3.988 -10.627   3.647
  683    HG   SER  83           HG       SER  83   5.746  -8.706   3.223
  684    H    THR  84           HN       THR  84   2.734 -12.732   2.380
  685    HA   THR  84           HA       THR  84   0.753 -11.521   0.583
  686    HB   THR  84           HB       THR  84   0.708 -14.489   1.087
  687    HG1  THR  84           HG1      THR  84   2.227 -14.821  -0.381
  688   1HG2  THR  84          HG21      THR  84  -0.540 -14.481  -1.042
  689   2HG2  THR  84          HG22      THR  84  -0.371 -12.727  -1.114
  690   3HG2  THR  84          HG23      THR  84  -1.304 -13.469   0.183
  691    H    ASN  85           HN       ASN  85  -0.748 -10.673   1.869
  692    HA   ASN  85           HA       ASN  85  -1.938 -12.195   4.004
  693   1HB   ASN  85          HB2       ASN  85   0.244 -10.873   4.846
  694   2HB   ASN  85          HB3       ASN  85  -0.918  -9.566   4.896
  695   1HD2  ASN  85          HD21      ASN  85   0.465 -10.783   7.090
  696   2HD2  ASN  85          HD22      ASN  85  -0.750 -11.421   8.149
  697    H    LYS  86           HN       LYS  86  -3.684 -10.919   5.048
  698    HA   LYS  86           HA       LYS  86  -5.097  -9.306   3.127
  699   1HB   LYS  86          HB2       LYS  86  -5.796  -9.809   6.023
  700   2HB   LYS  86          HB3       LYS  86  -6.888  -9.386   4.708
  701   1HG   LYS  86          HG2       LYS  86  -6.521 -11.534   3.666
  702   2HG   LYS  86          HG3       LYS  86  -5.347 -11.961   4.912
  703   1HD   LYS  86          HD2       LYS  86  -7.135 -11.754   6.600
  704   2HD   LYS  86          HD3       LYS  86  -8.276 -11.435   5.304
  705   1HE   LYS  86          HE2       LYS  86  -8.015 -13.597   4.396
  706   2HE   LYS  86          HE3       LYS  86  -6.583 -13.909   5.375
  707   1HZ   LYS  86          HZ1       LYS  86  -7.925 -13.989   7.335
  708   2HZ   LYS  86          HZ2       LYS  86  -8.589 -15.047   6.188
  709   3HZ   LYS  86          HZ3       LYS  86  -9.315 -13.542   6.476
  710    H    PHE  87           HN       PHE  87  -6.085  -7.169   4.074
  711    HA   PHE  87           HA       PHE  87  -4.419  -5.872   6.030
  712   1HB   PHE  87          HB2       PHE  87  -3.833  -3.950   4.545
  713   2HB   PHE  87          HB3       PHE  87  -3.013  -5.455   4.149
  714    HD1  PHE  87           HD1      PHE  87  -3.241  -6.442   2.026
  715    HD2  PHE  87           HD2      PHE  87  -5.734  -3.174   3.121
  716    HE1  PHE  87           HE1      PHE  87  -3.982  -6.225  -0.307
  717    HE2  PHE  87           HE2      PHE  87  -6.483  -2.957   0.787
  718    HZ   PHE  87           HZ       PHE  87  -5.605  -4.484  -0.931
  719    H    CYS  88           HN       CYS  88  -5.237  -3.911   6.790
  720    HA   CYS  88           HA       CYS  88  -8.118  -3.646   6.330
  721   1HB   CYS  88          HB2       CYS  88  -7.290  -4.057   8.637
  722   2HB   CYS  88          HB3       CYS  88  -6.379  -2.555   8.555
  723    H    VAL  89           HN       VAL  89  -8.782  -1.995   5.099
  724    HA   VAL  89           HA       VAL  89  -7.026   0.357   4.872
  725    HB   VAL  89           HB       VAL  89  -8.266   0.806   2.705
  726   1HG1  VAL  89          HG11      VAL  89  -6.893  -0.770   1.421
  727   2HG1  VAL  89          HG12      VAL  89  -5.990  -0.029   2.742
  728   3HG1  VAL  89          HG13      VAL  89  -6.579  -1.683   2.898
  729   1HG2  VAL  89          HG21      VAL  89  -9.125  -2.063   3.092
  730   2HG2  VAL  89          HG22      VAL  89 -10.180  -0.652   3.038
  731   3HG2  VAL  89          HG23      VAL  89  -9.294  -1.146   1.593
  732    H    THR  90           HN       THR  90  -7.879   2.380   5.148
  733    HA   THR  90           HA       THR  90 -10.427   2.509   6.499
  734    HB   THR  90           HB       THR  90  -8.605   4.787   5.701
  735    HG1  THR  90           HG1      THR  90  -8.708   3.266   8.119
  736   1HG2  THR  90          HG21      THR  90 -10.872   5.486   6.296
  737   2HG2  THR  90          HG22      THR  90  -9.723   5.981   7.539
  738   3HG2  THR  90          HG23      THR  90 -10.767   4.585   7.806
  739    H    CYS  91           HN       CYS  91 -12.171   2.378   5.208
  740    HA   CYS  91           HA       CYS  91 -12.081   3.496   2.526
  741   1HB   CYS  91          HB2       CYS  91 -14.273   1.976   3.943
  742   2HB   CYS  91          HB3       CYS  91 -14.221   2.364   2.224
  743    H    GLU  92           HN       GLU  92 -12.755   5.461   2.063
  744    HA   GLU  92           HA       GLU  92 -15.099   6.525   3.440
  745   1HB   GLU  92          HB2       GLU  92 -12.942   7.400   4.509
  746   2HB   GLU  92          HB3       GLU  92 -12.680   8.248   2.995
  747   1HG   GLU  92          HG2       GLU  92 -14.884   9.355   3.309
  748   2HG   GLU  92          HG3       GLU  92 -14.966   8.608   4.903
  749    H    ASN  93           HN       ASN  93 -16.474   7.400   2.028
  750    HA   ASN  93           HA       ASN  93 -17.426   7.953   0.046
  751   1HB   ASN  93          HB2       ASN  93 -14.694   9.165  -0.448
  752   2HB   ASN  93          HB3       ASN  93 -16.081   9.402  -1.507
  753   1HD2  ASN  93          HD21      ASN  93 -14.602  10.220   1.496
  754   2HD2  ASN  93          HD22      ASN  93 -15.722  11.457   1.957
  755    H    GLN  94           HN       GLN  94 -16.372   5.377   0.310
  756    HA   GLN  94           HA       GLN  94 -16.373   3.497  -0.943
  757   1HB   GLN  94          HB2       GLN  94 -16.792   5.360  -3.280
  758   2HB   GLN  94          HB3       GLN  94 -16.925   3.608  -3.342
  759   1HG   GLN  94          HG2       GLN  94 -18.732   3.745  -1.647
  760   2HG   GLN  94          HG3       GLN  94 -18.655   5.501  -1.779
  761   1HE2  GLN  94          HE21      GLN  94 -18.151   3.421  -4.504
  762   2HE2  GLN  94          HE22      GLN  94 -19.627   3.789  -5.322
  763    H    ALA  95           HN       ALA  95 -13.913   5.350  -0.640
  764    HA   ALA  95           HA       ALA  95 -12.226   3.666  -2.338
  765   1HB   ALA  95          HB1       ALA  95 -12.520   5.762  -3.556
  766   2HB   ALA  95          HB2       ALA  95 -11.934   6.660  -2.156
  767   3HB   ALA  95          HB3       ALA  95 -10.854   5.562  -3.014
  768    HA   PRO  96           HA       PRO  96  -9.760   3.307   1.373
  769   1HB   PRO  96          HB2       PRO  96  -7.542   2.793  -0.485
  770   2HB   PRO  96          HB3       PRO  96  -8.203   1.758   0.780
  771   1HG   PRO  96          HG2       PRO  96  -8.567   1.271  -1.855
  772   2HG   PRO  96          HG3       PRO  96  -9.752   0.822  -0.624
  773   1HD   PRO  96          HD2       PRO  96  -9.815   3.053  -2.573
  774   2HD   PRO  96          HD3       PRO  96 -11.152   2.110  -1.891
  775    H    VAL  97           HN       VAL  97  -9.315   5.259   2.279
  776    HA   VAL  97           HA       VAL  97  -7.592   7.100   0.772
  777    HB   VAL  97           HB       VAL  97  -8.393   8.864   2.326
  778   1HG1  VAL  97          HG11      VAL  97  -9.450   8.553   0.156
  779   2HG1  VAL  97          HG12      VAL  97 -10.554   7.367   0.850
  780   3HG1  VAL  97          HG13      VAL  97 -10.636   9.053   1.362
  781   1HG2  VAL  97          HG21      VAL  97  -8.962   7.475   4.233
  782   2HG2  VAL  97          HG22      VAL  97 -10.367   8.408   3.716
  783   3HG2  VAL  97          HG23      VAL  97 -10.244   6.696   3.306
  784    H    HIS  98           HN       HIS  98  -7.864   5.347   3.770
  785    HA   HIS  98           HA       HIS  98  -5.143   6.237   4.469
  786   1HB   HIS  98          HB2       HIS  98  -7.464   5.697   6.335
  787   2HB   HIS  98          HB3       HIS  98  -5.801   5.841   6.878
  788    HD1  HIS  98           HD1      HIS  98  -7.118   7.784   8.323
  789    HD2  HIS  98           HD2      HIS  98  -6.379   8.541   4.301
  790    HE1  HIS  98           HE1      HIS  98  -7.319  10.277   8.050
  791    HE2  HIS  98           HE2      HIS  98  -7.032  10.691   5.580
  792    H    PHE  99           HN       PHE  99  -3.815   4.635   5.475
  793    HA   PHE  99           HA       PHE  99  -4.750   1.891   4.960
  794   1HB   PHE  99          HB2       PHE  99  -2.826   2.668   3.558
  795   2HB   PHE  99          HB3       PHE  99  -1.888   2.875   5.034
  796    HD1  PHE  99           HD1      PHE  99  -0.578   1.138   5.786
  797    HD2  PHE  99           HD2      PHE  99  -3.844   0.290   3.192
  798    HE1  PHE  99           HE1      PHE  99   0.127  -1.214   5.677
  799    HE2  PHE  99           HE2      PHE  99  -3.143  -2.067   3.076
  800    HZ   PHE  99           HZ       PHE  99  -1.171  -2.826   4.297
  801    H    VAL 100           HN       VAL 100  -5.146   0.746   6.708
  802    HA   VAL 100           HA       VAL 100  -4.389   1.728   9.306
  803    HB   VAL 100           HB       VAL 100  -5.902  -0.765   8.506
  804   1HG1  VAL 100          HG11      VAL 100  -5.542   0.514  11.212
  805   2HG1  VAL 100          HG12      VAL 100  -6.707  -0.760  10.846
  806   3HG1  VAL 100          HG13      VAL 100  -4.980  -1.078  10.696
  807   1HG2  VAL 100          HG21      VAL 100  -6.891   1.931   9.432
  808   2HG2  VAL 100          HG22      VAL 100  -7.063   1.250   7.814
  809   3HG2  VAL 100          HG23      VAL 100  -7.900   0.507   9.178
  810    H    GLY 101           HN       GLY 101  -4.132  -1.540   7.913
  811   1HA   GLY 101          HA1       GLY 101  -1.350  -1.796   8.097
  812   2HA   GLY 101          HA2       GLY 101  -2.043  -2.392   9.603
  813    H    VAL 102           HN       VAL 102  -0.796  -4.313   8.383
  814    HA   VAL 102           HA       VAL 102  -2.723  -5.619   6.605
  815    HB   VAL 102           HB       VAL 102  -1.078  -6.893   5.677
  816   1HG1  VAL 102          HG11      VAL 102   0.905  -5.498   5.256
  817   2HG1  VAL 102          HG12      VAL 102  -0.614  -4.614   5.104
  818   3HG1  VAL 102          HG13      VAL 102   0.382  -4.415   6.546
  819   1HG2  VAL 102          HG21      VAL 102   0.722  -6.500   8.058
  820   2HG2  VAL 102          HG22      VAL 102  -0.297  -7.913   7.769
  821   3HG2  VAL 102          HG23      VAL 102   1.022  -7.538   6.661
  822    H    GLY 103           HN       GLY 103  -3.238  -7.846   6.912
  823   1HA   GLY 103          HA1       GLY 103  -3.399  -9.795   8.255
  824   2HA   GLY 103          HA2       GLY 103  -2.850  -8.863   9.640
  825    H    SER 104           HN       SER 104  -4.381  -7.088  10.330
  826    HA   SER 104           HA       SER 104  -7.170  -7.499   9.699
  827   1HB   SER 104          HB2       SER 104  -6.064  -8.078  12.451
  828   2HB   SER 104          HB3       SER 104  -7.773  -7.849  12.102
  829    HG   SER 104           HG       SER 104  -6.677  -9.624  10.387
  830    H    CYS 105           HN       CYS 105  -8.497  -6.028  11.290
  831    HA   CYS 105           HA       CYS 105  -7.259  -3.390  11.165
  832   1HB   CYS 105          HB2       CYS 105 -10.061  -4.252  11.929
  833   2HB   CYS 105          HB3       CYS 105  -9.530  -2.582  11.778
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1  -6.677  16.906   4.135
    2   2H    MET   1           H2       MET   1  -7.203  16.207   2.683
    3   3H    MET   1           H3       MET   1  -5.666  16.911   2.771
    4    HA   MET   1           HA       MET   1  -4.922  15.248   4.303
    5   1HB   MET   1          HB2       MET   1  -6.304  13.449   5.037
    6   2HB   MET   1          HB3       MET   1  -7.222  14.919   5.316
    7   1HG   MET   1          HG2       MET   1  -7.596  13.012   3.017
    8   2HG   MET   1          HG3       MET   1  -8.630  13.143   4.436
    9   1HE   MET   1          HE1       MET   1  -9.687  13.237   1.432
   10   2HE   MET   1          HE2       MET   1 -10.749  13.371   2.833
   11   3HE   MET   1          HE3       MET   1 -10.857  14.554   1.528
   12    H    GLN   2           HN       GLN   2  -4.334  12.986   3.598
   13    HA   GLN   2           HA       GLN   2  -4.133  12.885   0.724
   14   1HB   GLN   2          HB2       GLN   2  -3.281  10.793   2.736
   15   2HB   GLN   2          HB3       GLN   2  -2.771  10.909   1.055
   16   1HG   GLN   2          HG2       GLN   2  -1.824  13.189   1.674
   17   2HG   GLN   2          HG3       GLN   2  -2.056  12.703   3.350
   18   1HE2  GLN   2          HE21      GLN   2   0.389  13.333   1.981
   19   2HE2  GLN   2          HE22      GLN   2   1.393  11.923   2.061
   20    H    ASP   3           HN       ASP   3  -5.041  11.328  -0.631
   21    HA   ASP   3           HA       ASP   3  -7.198   9.692   0.494
   22   1HB   ASP   3          HB2       ASP   3  -8.833  10.522  -1.051
   23   2HB   ASP   3          HB3       ASP   3  -8.114  11.918  -0.254
   24    H    TRP   4           HN       TRP   4  -8.309   8.850  -1.870
   25    HA   TRP   4           HA       TRP   4  -6.839   6.607  -2.428
   26   1HB   TRP   4          HB2       TRP   4  -9.206   6.757  -2.895
   27   2HB   TRP   4          HB3       TRP   4  -8.920   7.971  -4.137
   28    HD1  TRP   4           HD1      TRP   4  -9.002   7.013  -6.499
   29    HE1  TRP   4           HE1      TRP   4  -8.525   4.724  -7.594
   30    HE3  TRP   4           HE3      TRP   4  -7.516   4.435  -2.351
   31    HZ2  TRP   4           HZ2      TRP   4  -7.636   2.177  -6.787
   32    HZ3  TRP   4           HZ3      TRP   4  -6.881   2.072  -2.587
   33    HH2  TRP   4           HH2      TRP   4  -6.928   0.969  -4.767
   34    H    LEU   5           HN       LEU   5  -6.845   9.651  -4.277
   35    HA   LEU   5           HA       LEU   5  -5.479   8.702  -6.523
   36   1HB   LEU   5          HB2       LEU   5  -5.788  11.402  -5.281
   37   2HB   LEU   5          HB3       LEU   5  -4.685  11.191  -6.627
   38    HG   LEU   5           HG       LEU   5  -6.871  12.013  -7.355
   39   1HD1  LEU   5          HD11      LEU   5  -7.277  10.364  -9.122
   40   2HD1  LEU   5          HD12      LEU   5  -5.558  10.689  -8.899
   41   3HD1  LEU   5          HD13      LEU   5  -6.266   9.206  -8.258
   42   1HD2  LEU   5          HD21      LEU   5  -7.930   9.412  -6.268
   43   2HD2  LEU   5          HD22      LEU   5  -8.304  11.030  -5.676
   44   3HD2  LEU   5          HD23      LEU   5  -8.837  10.534  -7.283
   45    H    THR   6           HN       THR   6  -4.174  10.194  -3.576
   46    HA   THR   6           HA       THR   6  -1.450   9.786  -4.421
   47    HB   THR   6           HB       THR   6  -2.511  10.525  -1.677
   48    HG1  THR   6           HG1      THR   6  -3.005  12.341  -2.636
   49   1HG2  THR   6          HG21      THR   6  -0.280  11.460  -1.318
   50   2HG2  THR   6          HG22      THR   6   0.218  10.914  -2.918
   51   3HG2  THR   6          HG23      THR   6  -0.187   9.736  -1.669
   52    H    PHE   7           HN       PHE   7  -3.798   8.182  -2.367
   53    HA   PHE   7           HA       PHE   7  -2.203   6.325  -1.056
   54   1HB   PHE   7          HB2       PHE   7  -4.641   6.660  -0.673
   55   2HB   PHE   7          HB3       PHE   7  -4.972   5.880  -2.213
   56    HD1  PHE   7           HD1      PHE   7  -4.303   5.412   1.285
   57    HD2  PHE   7           HD2      PHE   7  -4.403   3.446  -2.489
   58    HE1  PHE   7           HE1      PHE   7  -4.394   3.231   2.425
   59    HE2  PHE   7           HE2      PHE   7  -4.492   1.265  -1.355
   60    HZ   PHE   7           HZ       PHE   7  -4.491   1.155   1.105
   61    H    GLN   8           HN       GLN   8  -3.660   6.183  -4.278
   62    HA   GLN   8           HA       GLN   8  -2.794   3.699  -5.127
   63   1HB   GLN   8          HB2       GLN   8  -3.374   6.292  -6.456
   64   2HB   GLN   8          HB3       GLN   8  -2.561   5.047  -7.381
   65   1HG   GLN   8          HG2       GLN   8  -4.413   3.505  -6.885
   66   2HG   GLN   8          HG3       GLN   8  -5.232   4.807  -6.018
   67   1HE2  GLN   8          HE21      GLN   8  -6.060   6.557  -7.188
   68   2HE2  GLN   8          HE22      GLN   8  -6.311   6.479  -8.897
   69    H    LYS   9           HN       LYS   9  -1.186   6.812  -5.649
   70    HA   LYS   9           HA       LYS   9   1.062   5.987  -6.986
   71   1HB   LYS   9          HB2       LYS   9   0.995   8.130  -4.852
   72   2HB   LYS   9          HB3       LYS   9   2.141   8.008  -6.179
   73   1HG   LYS   9          HG2       LYS   9  -0.816   8.462  -6.506
   74   2HG   LYS   9          HG3       LYS   9   0.410   9.728  -6.517
   75   1HD   LYS   9          HD2       LYS   9   0.288   7.407  -8.434
   76   2HD   LYS   9          HD3       LYS   9  -0.262   9.048  -8.781
   77   1HE   LYS   9          HE2       LYS   9   2.011   9.885  -8.421
   78   2HE   LYS   9          HE3       LYS   9   2.559   8.250  -8.056
   79   1HZ   LYS   9          HZ1       LYS   9   2.057   7.576 -10.289
   80   2HZ   LYS   9          HZ2       LYS   9   3.054   8.946 -10.340
   81   3HZ   LYS   9          HZ3       LYS   9   1.393   9.095 -10.653
   82    H    LYS  10           HN       LYS  10   0.412   5.952  -3.562
   83    HA   LYS  10           HA       LYS  10   3.187   5.276  -2.953
   84   1HB   LYS  10          HB2       LYS  10   0.908   5.973  -1.095
   85   2HB   LYS  10          HB3       LYS  10   2.581   5.738  -0.614
   86   1HG   LYS  10          HG2       LYS  10   3.214   7.636  -2.084
   87   2HG   LYS  10          HG3       LYS  10   1.502   7.904  -2.404
   88   1HD   LYS  10          HD2       LYS  10   2.113   9.427  -0.694
   89   2HD   LYS  10          HD3       LYS  10   1.196   8.139   0.090
   90   1HE   LYS  10          HE2       LYS  10   3.228   7.109   0.876
   91   2HE   LYS  10          HE3       LYS  10   4.206   8.272  -0.019
   92   1HZ   LYS  10          HZ1       LYS  10   3.148  10.032   1.379
   93   2HZ   LYS  10          HZ2       LYS  10   4.158   8.967   2.224
   94   3HZ   LYS  10          HZ3       LYS  10   2.475   8.797   2.334
   95    H    HIS  11           HN       HIS  11   0.280   3.551  -3.393
   96    HA   HIS  11           HA       HIS  11   1.406   1.354  -1.793
   97   1HB   HIS  11          HB2       HIS  11  -1.489   2.209  -1.737
   98   2HB   HIS  11          HB3       HIS  11  -0.841   0.776  -0.949
   99    HD1  HIS  11           HD1      HIS  11   1.047   1.322   0.957
  100    HD2  HIS  11           HD2      HIS  11  -1.422   4.458  -0.210
  101    HE1  HIS  11           HE1      HIS  11   1.247   3.056   2.771
  102    HE2  HIS  11           HE2      HIS  11  -0.086   5.028   1.927
  103    H    ILE  12           HN       ILE  12   0.156   2.275  -4.777
  104    HA   ILE  12           HA       ILE  12  -0.655  -0.488  -5.380
  105    HB   ILE  12           HB       ILE  12  -1.204   2.044  -6.943
  106   1HG1  ILE  12          HG12      ILE  12  -2.503   1.934  -4.891
  107   2HG1  ILE  12          HG13      ILE  12  -3.548   1.674  -6.280
  108   1HG2  ILE  12          HG21      ILE  12  -2.138  -0.778  -7.453
  109   2HG2  ILE  12          HG22      ILE  12  -2.689   0.658  -8.319
  110   3HG2  ILE  12          HG23      ILE  12  -1.006   0.146  -8.439
  111   1HD1  ILE  12          HD11      ILE  12  -3.505  -0.730  -5.845
  112   2HD1  ILE  12          HD12      ILE  12  -2.477  -0.450  -4.440
  113   3HD1  ILE  12          HD13      ILE  12  -4.124   0.183  -4.468
  114    H    THR  13           HN       THR  13   0.881  -1.700  -6.245
  115    HA   THR  13           HA       THR  13   2.642  -0.469  -8.252
  116    HB   THR  13           HB       THR  13   3.936  -0.906  -6.175
  117    HG1  THR  13           HG1      THR  13   4.778  -1.186  -8.435
  118   1HG2  THR  13          HG21      THR  13   4.443  -3.229  -5.547
  119   2HG2  THR  13          HG22      THR  13   3.252  -3.798  -6.720
  120   3HG2  THR  13          HG23      THR  13   2.733  -2.848  -5.327
  121    H    ASN  14           HN       ASN  14   3.355  -1.903  -9.935
  122    HA   ASN  14           HA       ASN  14   1.398  -4.061 -10.371
  123   1HB   ASN  14          HB2       ASN  14   2.886  -2.416 -12.427
  124   2HB   ASN  14          HB3       ASN  14   1.690  -3.659 -12.774
  125   1HD2  ASN  14          HD21      ASN  14  -0.025  -2.841 -10.522
  126   2HD2  ASN  14          HD22      ASN  14  -0.784  -1.372 -11.026
  127    H    THR  15           HN       THR  15   4.292  -3.863  -9.221
  128    HA   THR  15           HA       THR  15   5.235  -6.278 -10.607
  129    HB   THR  15           HB       THR  15   6.641  -4.382 -11.328
  130    HG1  THR  15           HG1      THR  15   7.500  -6.612 -10.689
  131   1HG2  THR  15          HG21      THR  15   7.289  -4.068  -8.394
  132   2HG2  THR  15          HG22      THR  15   6.373  -2.928  -9.381
  133   3HG2  THR  15          HG23      THR  15   8.081  -3.214  -9.718
  134    H    ARG  16           HN       ARG  16   6.547  -7.700  -9.214
  135    HA   ARG  16           HA       ARG  16   5.495  -7.714  -6.530
  136   1HB   ARG  16          HB2       ARG  16   7.386  -9.582  -7.959
  137   2HB   ARG  16          HB3       ARG  16   6.913  -9.781  -6.276
  138   1HG   ARG  16          HG2       ARG  16   5.052  -9.789  -8.632
  139   2HG   ARG  16          HG3       ARG  16   5.581 -11.199  -7.708
  140   1HD   ARG  16          HD2       ARG  16   4.138  -8.852  -6.511
  141   2HD   ARG  16          HD3       ARG  16   3.318 -10.304  -7.081
  142    HE   ARG  16           HE       ARG  16   4.719 -11.510  -5.373
  143   1HH1  ARG  16          HH12      ARG  16   3.970  -8.103  -5.005
  144   2HH1  ARG  16          HH11      ARG  16   4.042  -8.143  -3.276
  145   1HH2  ARG  16          HH22      ARG  16   4.755 -11.574  -3.086
  146   2HH2  ARG  16          HH21      ARG  16   4.454 -10.120  -2.182
  147    H    ASP  17           HN       ASP  17   8.760  -7.479  -7.948
  148    HA   ASP  17           HA       ASP  17   9.751  -6.636  -5.358
  149   1HB   ASP  17          HB2       ASP  17  11.982  -6.746  -6.485
  150   2HB   ASP  17          HB3       ASP  17  11.132  -8.276  -6.401
  151    H    VAL  18           HN       VAL  18   8.530  -4.678  -5.414
  152    HA   VAL  18           HA       VAL  18   9.074  -2.594  -7.250
  153    HB   VAL  18           HB       VAL  18   7.099  -2.331  -5.961
  154   1HG1  VAL  18          HG11      VAL  18   7.569  -3.733  -4.058
  155   2HG1  VAL  18          HG12      VAL  18   8.811  -2.610  -3.497
  156   3HG1  VAL  18          HG13      VAL  18   7.115  -2.123  -3.491
  157   1HG2  VAL  18          HG21      VAL  18   7.488  -0.196  -4.726
  158   2HG2  VAL  18          HG22      VAL  18   9.220  -0.439  -4.977
  159   3HG2  VAL  18          HG23      VAL  18   8.147  -0.229  -6.363
  160    H    ASP  19           HN       ASP  19  10.756  -1.193  -7.361
  161    HA   ASP  19           HA       ASP  19  13.049  -1.707  -5.738
  162   1HB   ASP  19          HB2       ASP  19  13.110  -0.970  -8.174
  163   2HB   ASP  19          HB3       ASP  19  12.704   0.645  -7.602
  164    H    CYS  20           HN       CYS  20  12.253  -1.299  -3.674
  165    HA   CYS  20           HA       CYS  20  11.057   0.984  -2.714
  166   1HB   CYS  20          HB2       CYS  20  13.150  -0.513  -1.156
  167   2HB   CYS  20          HB3       CYS  20  11.692   0.277  -0.560
  168    H    ASP  21           HN       ASP  21  14.529   0.307  -3.000
  169    HA   ASP  21           HA       ASP  21  15.461   2.530  -1.612
  170   1HB   ASP  21          HB2       ASP  21  16.743   0.971  -3.850
  171   2HB   ASP  21          HB3       ASP  21  17.588   2.196  -2.909
  172    H    ASN  22           HN       ASN  22  14.688   2.218  -5.059
  173    HA   ASN  22           HA       ASN  22  15.510   4.952  -5.578
  174   1HB   ASN  22          HB2       ASN  22  15.802   3.205  -7.295
  175   2HB   ASN  22          HB3       ASN  22  14.064   2.976  -7.355
  176   1HD2  ASN  22          HD21      ASN  22  12.788   4.456  -8.428
  177   2HD2  ASN  22          HD22      ASN  22  13.441   5.714  -9.416
  178    H    ILE  23           HN       ILE  23  12.473   3.144  -5.683
  179    HA   ILE  23           HA       ILE  23  10.894   5.336  -6.449
  180    HB   ILE  23           HB       ILE  23  10.121   2.743  -5.114
  181   1HG1  ILE  23          HG12      ILE  23  10.001   3.725  -7.974
  182   2HG1  ILE  23          HG13      ILE  23  11.115   2.524  -7.334
  183   1HG2  ILE  23          HG21      ILE  23   8.314   4.801  -6.378
  184   2HG2  ILE  23          HG22      ILE  23   7.821   3.216  -5.785
  185   3HG2  ILE  23          HG23      ILE  23   8.411   4.437  -4.656
  186   1HD1  ILE  23          HD11      ILE  23   8.128   2.210  -7.471
  187   2HD1  ILE  23          HD12      ILE  23   9.284   1.531  -8.617
  188   3HD1  ILE  23          HD13      ILE  23   9.291   0.997  -6.938
  189    H    LEU  24           HN       LEU  24  11.741   4.115  -3.220
  190    HA   LEU  24           HA       LEU  24   9.906   5.927  -1.923
  191   1HB   LEU  24          HB2       LEU  24  12.189   4.426  -0.650
  192   2HB   LEU  24          HB3       LEU  24  10.816   5.145   0.164
  193    HG   LEU  24           HG       LEU  24  10.770   2.730  -1.644
  194   1HD1  LEU  24          HD11      LEU  24  11.664   2.319   0.584
  195   2HD1  LEU  24          HD12      LEU  24  10.226   3.046   1.300
  196   3HD1  LEU  24          HD13      LEU  24  10.089   1.553   0.373
  197   1HD2  LEU  24          HD21      LEU  24   8.507   4.122  -0.233
  198   2HD2  LEU  24          HD22      LEU  24   8.747   4.008  -1.977
  199   3HD2  LEU  24          HD23      LEU  24   8.411   2.554  -1.037
  200    H    SER  25           HN       SER  25  12.893   6.295  -3.361
  201    HA   SER  25           HA       SER  25  13.997   8.225  -1.523
  202   1HB   SER  25          HB2       SER  25  15.473   6.792  -2.872
  203   2HB   SER  25          HB3       SER  25  14.812   7.486  -4.349
  204    HG   SER  25           HG       SER  25  16.217   8.931  -2.331
  205    H    THR  26           HN       THR  26  11.552   8.284  -3.771
  206    HA   THR  26           HA       THR  26  11.944  10.904  -4.858
  207    HB   THR  26           HB       THR  26   9.585  10.705  -5.591
  208    HG1  THR  26           HG1      THR  26   9.461   8.053  -4.689
  209   1HG2  THR  26          HG21      THR  26  11.316   9.779  -7.014
  210   2HG2  THR  26          HG22      THR  26   9.894   8.736  -7.058
  211   3HG2  THR  26          HG23      THR  26  11.300   8.272  -6.098
  212    H    ASN  27           HN       ASN  27  10.129  12.587  -4.502
  213    HA   ASN  27           HA       ASN  27  10.115  13.224  -1.688
  214   1HB   ASN  27          HB2       ASN  27  10.377  14.893  -3.592
  215   2HB   ASN  27          HB3       ASN  27   8.657  14.686  -3.898
  216   1HD2  ASN  27          HD21      ASN  27  11.055  15.920  -1.714
  217   2HD2  ASN  27          HD22      ASN  27   9.986  16.896  -0.768
  218    H    LEU  28           HN       LEU  28   8.226  11.364  -3.667
  219    HA   LEU  28           HA       LEU  28   5.626  11.896  -2.618
  220   1HB   LEU  28          HB2       LEU  28   5.986  10.877  -4.818
  221   2HB   LEU  28          HB3       LEU  28   6.732   9.484  -4.060
  222    HG   LEU  28           HG       LEU  28   4.556   8.973  -2.962
  223   1HD1  LEU  28          HD11      LEU  28   3.621  11.226  -2.974
  224   2HD1  LEU  28          HD12      LEU  28   3.524  11.185  -4.734
  225   3HD1  LEU  28          HD13      LEU  28   2.540  10.081  -3.771
  226   1HD2  LEU  28          HD21      LEU  28   3.468   8.143  -4.997
  227   2HD2  LEU  28          HD22      LEU  28   4.515   9.175  -5.973
  228   3HD2  LEU  28          HD23      LEU  28   5.209   7.859  -5.026
  229    H    PHE  29           HN       PHE  29   8.231   9.662  -1.855
  230    HA   PHE  29           HA       PHE  29   6.664   8.649   0.421
  231   1HB   PHE  29          HB2       PHE  29   9.151   7.490  -0.854
  232   2HB   PHE  29          HB3       PHE  29   8.249   6.777   0.482
  233    HD1  PHE  29           HD1      PHE  29   8.371   7.337  -3.101
  234    HD2  PHE  29           HD2      PHE  29   6.026   5.837   0.113
  235    HE1  PHE  29           HE1      PHE  29   6.934   6.149  -4.704
  236    HE2  PHE  29           HE2      PHE  29   4.588   4.649  -1.482
  237    HZ   PHE  29           HZ       PHE  29   5.024   4.835  -3.906
  238    H    HIS  30           HN       HIS  30   9.716  10.090  -0.533
  239    HA   HIS  30           HA       HIS  30  11.165  11.434   0.566
  240   1HB   HIS  30          HB2       HIS  30   8.933  12.417   1.365
  241   2HB   HIS  30          HB3       HIS  30   9.219  11.543   2.866
  242    HD1  HIS  30           HD1      HIS  30  10.590  12.723   4.578
  243    HD2  HIS  30           HD2      HIS  30  11.083  14.321   0.768
  244    HE1  HIS  30           HE1      HIS  30  12.011  14.777   4.883
  245    HE2  HIS  30           HE2      HIS  30  12.390  15.671   2.555
  246    H    CYS  31           HN       CYS  31  11.292   8.573   0.877
  247    HA   CYS  31           HA       CYS  31  12.327   6.945   2.065
  248   1HB   CYS  31          HB2       CYS  31  13.820   9.285   3.267
  249   2HB   CYS  31          HB3       CYS  31  14.351   7.605   3.267
  250    H    LYS  32           HN       LYS  32  10.050   6.963   3.137
  251    HA   LYS  32           HA       LYS  32   9.970   7.728   5.899
  252   1HB   LYS  32          HB2       LYS  32   7.774   6.757   5.936
  253   2HB   LYS  32          HB3       LYS  32   7.954   7.669   4.448
  254   1HG   LYS  32          HG2       LYS  32   8.557   5.390   3.390
  255   2HG   LYS  32          HG3       LYS  32   7.821   4.708   4.844
  256   1HD   LYS  32          HD2       LYS  32   6.527   6.494   2.787
  257   2HD   LYS  32          HD3       LYS  32   6.131   4.818   3.154
  258   1HE   LYS  32          HE2       LYS  32   5.797   7.142   5.044
  259   2HE   LYS  32          HE3       LYS  32   4.504   6.423   4.090
  260   1HZ   LYS  32          HZ1       LYS  32   6.102   4.842   6.021
  261   2HZ   LYS  32          HZ2       LYS  32   4.601   4.452   5.334
  262   3HZ   LYS  32          HZ3       LYS  32   4.714   5.695   6.480
  263    H    ASP  33           HN       ASP  33   9.225   5.944   7.515
  264    HA   ASP  33           HA       ASP  33  11.453   4.319   8.006
  265   1HB   ASP  33          HB2       ASP  33   9.887   5.144   9.737
  266   2HB   ASP  33          HB3       ASP  33   8.653   4.051   9.125
  267    H    LYS  34           HN       LYS  34   8.171   3.345   6.966
  268    HA   LYS  34           HA       LYS  34   9.353   1.409   5.197
  269   1HB   LYS  34          HB2       LYS  34   8.379  -0.573   6.036
  270   2HB   LYS  34          HB3       LYS  34   9.169   0.188   7.403
  271   1HG   LYS  34          HG2       LYS  34   6.282   0.734   6.964
  272   2HG   LYS  34          HG3       LYS  34   6.758  -0.844   7.590
  273   1HD   LYS  34          HD2       LYS  34   8.034   0.331   9.381
  274   2HD   LYS  34          HD3       LYS  34   7.353   1.851   8.796
  275   1HE   LYS  34          HE2       LYS  34   5.118   1.093   9.279
  276   2HE   LYS  34          HE3       LYS  34   5.717  -0.510   9.711
  277   1HZ   LYS  34          HZ1       LYS  34   6.377   2.001  11.151
  278   2HZ   LYS  34          HZ2       LYS  34   6.869   0.440  11.588
  279   3HZ   LYS  34          HZ3       LYS  34   5.226   0.863  11.656
  280    H    ASN  35           HN       ASN  35   7.724   0.342   3.845
  281    HA   ASN  35           HA       ASN  35   5.066   1.507   3.836
  282   1HB   ASN  35          HB2       ASN  35   6.494   3.104   2.506
  283   2HB   ASN  35          HB3       ASN  35   6.822   1.785   1.391
  284   1HD2  ASN  35          HD21      ASN  35   5.828   2.690  -0.353
  285   2HD2  ASN  35          HD22      ASN  35   4.116   2.918  -0.463
  286    H    THR  36           HN       THR  36   3.640  -0.003   3.206
  287    HA   THR  36           HA       THR  36   4.653  -2.408   1.881
  288    HB   THR  36           HB       THR  36   1.954  -1.955   3.178
  289    HG1  THR  36           HG1      THR  36   3.846  -3.671   4.320
  290   1HG2  THR  36          HG21      THR  36   1.950  -3.728   1.484
  291   2HG2  THR  36          HG22      THR  36   1.772  -4.400   3.104
  292   3HG2  THR  36          HG23      THR  36   3.326  -4.493   2.275
  293    H    PHE  37           HN       PHE  37   4.417  -2.557  -0.236
  294    HA   PHE  37           HA       PHE  37   2.353  -0.982  -1.593
  295   1HB   PHE  37          HB2       PHE  37   4.648  -2.621  -2.693
  296   2HB   PHE  37          HB3       PHE  37   3.494  -1.731  -3.676
  297    HD1  PHE  37           HD1      PHE  37   6.161  -1.341  -1.122
  298    HD2  PHE  37           HD2      PHE  37   3.797   0.542  -4.123
  299    HE1  PHE  37           HE1      PHE  37   7.543   0.675  -0.945
  300    HE2  PHE  37           HE2      PHE  37   5.198   2.552  -3.960
  301    HZ   PHE  37           HZ       PHE  37   7.175   2.540  -2.462
  302    H    ILE  38           HN       ILE  38   0.832  -1.904  -2.934
  303    HA   ILE  38           HA       ILE  38   0.226  -4.718  -2.339
  304    HB   ILE  38           HB       ILE  38  -1.626  -2.568  -3.384
  305   1HG1  ILE  38          HG12      ILE  38  -1.536  -3.666  -0.574
  306   2HG1  ILE  38          HG13      ILE  38  -0.675  -2.205  -1.045
  307   1HG2  ILE  38          HG21      ILE  38  -3.407  -4.124  -2.773
  308   2HG2  ILE  38          HG22      ILE  38  -2.309  -4.844  -3.950
  309   3HG2  ILE  38          HG23      ILE  38  -2.204  -5.302  -2.249
  310   1HD1  ILE  38          HD11      ILE  38  -3.650  -2.621  -1.223
  311   2HD1  ILE  38          HD12      ILE  38  -2.800  -1.693   0.013
  312   3HD1  ILE  38          HD13      ILE  38  -2.776  -1.154  -1.665
  313    H    TYR  39           HN       TYR  39   0.814  -6.064  -3.918
  314    HA   TYR  39           HA       TYR  39   1.028  -5.186  -6.650
  315   1HB   TYR  39          HB2       TYR  39   2.590  -6.883  -5.884
  316   2HB   TYR  39          HB3       TYR  39   1.263  -7.949  -5.435
  317    HD1  TYR  39           HD1      TYR  39   2.697  -6.185  -8.388
  318    HD2  TYR  39           HD2      TYR  39   0.518  -9.544  -6.954
  319    HE1  TYR  39           HE1      TYR  39   2.718  -7.155 -10.642
  320    HE2  TYR  39           HE2      TYR  39   0.532 -10.521  -9.211
  321    HH   TYR  39           HH       TYR  39   0.754  -9.796 -11.531
  322    H    SER  40           HN       SER  40  -0.903  -4.555  -7.320
  323    HA   SER  40           HA       SER  40  -2.726  -6.408  -8.345
  324   1HB   SER  40          HB2       SER  40  -3.332  -6.621  -5.896
  325   2HB   SER  40          HB3       SER  40  -3.764  -4.918  -5.906
  326    HG   SER  40           HG       SER  40  -5.637  -5.985  -6.287
  327    H    ARG  41           HN       ARG  41  -4.926  -4.951  -8.783
  328    HA   ARG  41           HA       ARG  41  -3.849  -2.445  -9.837
  329   1HB   ARG  41          HB2       ARG  41  -6.226  -4.094 -10.633
  330   2HB   ARG  41          HB3       ARG  41  -6.060  -2.425 -11.143
  331   1HG   ARG  41          HG2       ARG  41  -4.114  -4.645 -11.708
  332   2HG   ARG  41          HG3       ARG  41  -5.245  -3.930 -12.858
  333   1HD   ARG  41          HD2       ARG  41  -4.155  -1.764 -12.580
  334   2HD   ARG  41          HD3       ARG  41  -3.028  -2.472 -11.427
  335    HE   ARG  41           HE       ARG  41  -2.679  -3.979 -13.656
  336   1HH1  ARG  41          HH12      ARG  41  -2.660  -0.533 -13.024
  337   2HH1  ARG  41          HH11      ARG  41  -1.480  -0.185 -14.251
  338   1HH2  ARG  41          HH22      ARG  41  -1.129  -3.524 -15.271
  339   2HH2  ARG  41          HH21      ARG  41  -0.623  -1.884 -15.539
  340    HA   PRO  42           HA       PRO  42  -5.913   0.166  -7.042
  341   1HB   PRO  42          HB2       PRO  42  -6.962   2.028  -8.807
  342   2HB   PRO  42          HB3       PRO  42  -5.304   2.028  -8.203
  343   1HG   PRO  42          HG2       PRO  42  -6.387   1.024 -10.791
  344   2HG   PRO  42          HG3       PRO  42  -4.868   1.867 -10.467
  345   1HD   PRO  42          HD2       PRO  42  -4.965  -0.786 -10.885
  346   2HD   PRO  42          HD3       PRO  42  -3.815  -0.055  -9.739
  347    H    GLU  43           HN       GLU  43  -7.758  -1.024  -9.807
  348    HA   GLU  43           HA       GLU  43 -10.254  -0.002  -8.941
  349   1HB   GLU  43          HB2       GLU  43  -9.559  -2.183 -10.891
  350   2HB   GLU  43          HB3       GLU  43 -11.173  -1.558 -10.648
  351   1HG   GLU  43          HG2       GLU  43  -8.785  -0.038 -11.644
  352   2HG   GLU  43          HG3       GLU  43 -10.188  -0.538 -12.581
  353    HA   PRO  44           HA       PRO  44 -11.104  -4.547  -7.367
  354   1HB   PRO  44          HB2       PRO  44  -8.830  -6.012  -6.873
  355   2HB   PRO  44          HB3       PRO  44  -9.811  -6.159  -8.332
  356   1HG   PRO  44          HG2       PRO  44  -7.281  -4.627  -7.887
  357   2HG   PRO  44          HG3       PRO  44  -7.769  -5.606  -9.284
  358   1HD   PRO  44          HD2       PRO  44  -7.925  -2.925  -9.330
  359   2HD   PRO  44          HD3       PRO  44  -9.131  -3.935 -10.123
  360    H    VAL  45           HN       VAL  45  -8.449  -2.524  -6.405
  361    HA   VAL  45           HA       VAL  45  -8.612  -3.359  -3.620
  362    HB   VAL  45           HB       VAL  45  -6.947  -1.194  -4.925
  363   1HG1  VAL  45          HG11      VAL  45  -7.392  -0.638  -2.593
  364   2HG1  VAL  45          HG12      VAL  45  -6.853  -2.242  -2.094
  365   3HG1  VAL  45          HG13      VAL  45  -5.708  -1.109  -2.811
  366   1HG2  VAL  45          HG21      VAL  45  -6.185  -3.926  -3.902
  367   2HG2  VAL  45          HG22      VAL  45  -6.302  -3.446  -5.595
  368   3HG2  VAL  45          HG23      VAL  45  -5.076  -2.720  -4.555
  369    H    LYS  46           HN       LYS  46  -9.503  -0.618  -5.652
  370    HA   LYS  46           HA       LYS  46 -10.556   0.975  -3.542
  371   1HB   LYS  46          HB2       LYS  46  -9.918   1.807  -5.827
  372   2HB   LYS  46          HB3       LYS  46 -11.349   1.009  -6.459
  373   1HG   LYS  46          HG2       LYS  46 -12.771   2.427  -5.101
  374   2HG   LYS  46          HG3       LYS  46 -11.352   3.195  -4.391
  375   1HD   LYS  46          HD2       LYS  46 -10.682   3.965  -6.633
  376   2HD   LYS  46          HD3       LYS  46 -12.165   3.268  -7.289
  377   1HE   LYS  46          HE2       LYS  46 -12.025   5.417  -5.178
  378   2HE   LYS  46          HE3       LYS  46 -12.364   5.681  -6.884
  379   1HZ   LYS  46          HZ1       LYS  46 -14.020   4.120  -4.985
  380   2HZ   LYS  46          HZ2       LYS  46 -14.330   4.254  -6.646
  381   3HZ   LYS  46          HZ3       LYS  46 -14.404   5.628  -5.653
  382    H    ALA  47           HN       ALA  47 -11.731  -1.649  -5.473
  383    HA   ALA  47           HA       ALA  47 -14.494  -1.408  -4.940
  384   1HB   ALA  47          HB1       ALA  47 -12.886  -3.876  -5.596
  385   2HB   ALA  47          HB2       ALA  47 -14.643  -3.736  -5.678
  386   3HB   ALA  47          HB3       ALA  47 -13.631  -2.781  -6.759
  387    H    ILE  48           HN       ILE  48 -11.856  -2.494  -3.000
  388    HA   ILE  48           HA       ILE  48 -13.254  -4.135  -1.178
  389    HB   ILE  48           HB       ILE  48 -10.862  -2.366  -0.593
  390   1HG1  ILE  48          HG12      ILE  48 -10.933  -5.269  -1.450
  391   2HG1  ILE  48          HG13      ILE  48 -10.538  -3.926  -2.517
  392   1HG2  ILE  48          HG21      ILE  48 -10.402  -3.970   1.201
  393   2HG2  ILE  48          HG22      ILE  48 -11.966  -3.186   1.422
  394   3HG2  ILE  48          HG23      ILE  48 -11.888  -4.837   0.807
  395   1HD1  ILE  48          HD11      ILE  48  -9.002  -4.750  -0.067
  396   2HD1  ILE  48          HD12      ILE  48  -8.542  -5.066  -1.740
  397   3HD1  ILE  48          HD13      ILE  48  -8.596  -3.408  -1.138
  398    H    CYS  49           HN       CYS  49 -13.018  -0.704  -1.626
  399    HA   CYS  49           HA       CYS  49 -14.430  -0.202   0.891
  400   1HB   CYS  49          HB2       CYS  49 -12.969   1.649  -0.996
  401   2HB   CYS  49          HB3       CYS  49 -13.778   2.161   0.483
  402    H    LYS  50           HN       LYS  50 -15.420  -1.138  -1.900
  403    HA   LYS  50           HA       LYS  50 -17.130   0.853  -2.925
  404   1HB   LYS  50          HB2       LYS  50 -16.492  -1.222  -4.132
  405   2HB   LYS  50          HB3       LYS  50 -17.485  -2.149  -3.018
  406   1HG   LYS  50          HG2       LYS  50 -19.480  -1.029  -3.812
  407   2HG   LYS  50          HG3       LYS  50 -18.505  -0.011  -4.876
  408   1HD   LYS  50          HD2       LYS  50 -19.488  -1.837  -6.139
  409   2HD   LYS  50          HD3       LYS  50 -17.735  -2.023  -6.067
  410   1HE   LYS  50          HE2       LYS  50 -18.060  -3.591  -4.153
  411   2HE   LYS  50          HE3       LYS  50 -19.797  -3.495  -4.434
  412   1HZ   LYS  50          HZ1       LYS  50 -19.322  -4.283  -6.745
  413   2HZ   LYS  50          HZ2       LYS  50 -19.008  -5.420  -5.525
  414   3HZ   LYS  50          HZ3       LYS  50 -17.726  -4.590  -6.255
  415    H    GLY  51           HN       GLY  51 -18.637   1.847  -1.787
  416   1HA   GLY  51          HA1       GLY  51 -20.859   1.818  -0.939
  417   2HA   GLY  51          HA2       GLY  51 -20.560   0.213  -0.294
  418    H    ILE  52           HN       ILE  52 -17.852   1.914   0.438
  419    HA   ILE  52           HA       ILE  52 -18.885   2.467   3.135
  420    HB   ILE  52           HB       ILE  52 -15.980   2.315   2.362
  421   1HG1  ILE  52          HG12      ILE  52 -17.017   0.189   1.724
  422   2HG1  ILE  52          HG13      ILE  52 -15.980  -0.020   3.128
  423   1HG2  ILE  52          HG21      ILE  52 -17.418   1.971   4.987
  424   2HG2  ILE  52          HG22      ILE  52 -15.677   1.815   4.744
  425   3HG2  ILE  52          HG23      ILE  52 -16.468   3.371   4.489
  426   1HD1  ILE  52          HD11      ILE  52 -18.980   0.183   3.162
  427   2HD1  ILE  52          HD12      ILE  52 -18.027  -1.289   3.355
  428   3HD1  ILE  52          HD13      ILE  52 -17.943  -0.018   4.576
  429    H    ILE  53           HN       ILE  53 -19.688   4.561   2.900
  430    HA   ILE  53           HA       ILE  53 -18.067   6.595   1.651
  431    HB   ILE  53           HB       ILE  53 -20.798   6.617   2.911
  432   1HG1  ILE  53          HG12      ILE  53 -21.484   7.279   0.631
  433   2HG1  ILE  53          HG13      ILE  53 -19.820   7.153   0.096
  434   1HG2  ILE  53          HG21      ILE  53 -19.736   8.729   3.495
  435   2HG2  ILE  53          HG22      ILE  53 -19.306   8.992   1.805
  436   3HG2  ILE  53          HG23      ILE  53 -21.001   8.976   2.292
  437   1HD1  ILE  53          HD11      ILE  53 -19.875   4.754   0.607
  438   2HD1  ILE  53          HD12      ILE  53 -21.568   4.911   1.080
  439   3HD1  ILE  53          HD13      ILE  53 -21.085   5.221  -0.590
  440    H    ALA  54           HN       ALA  54 -19.417   6.056   4.918
  441    HA   ALA  54           HA       ALA  54 -17.959   8.216   6.082
  442   1HB   ALA  54          HB1       ALA  54 -18.683   7.310   8.224
  443   2HB   ALA  54          HB2       ALA  54 -20.024   7.353   7.080
  444   3HB   ALA  54          HB3       ALA  54 -19.213   5.826   7.431
  445    H    SER  55           HN       SER  55 -16.017   8.261   7.066
  446    HA   SER  55           HA       SER  55 -13.975   6.605   6.247
  447   1HB   SER  55          HB2       SER  55 -13.947   8.936   7.424
  448   2HB   SER  55          HB3       SER  55 -13.833   7.994   8.909
  449    HG   SER  55           HG       SER  55 -11.951   8.476   6.972
  450    H    LYS  56           HN       LYS  56 -13.864   4.483   6.554
  451    HA   LYS  56           HA       LYS  56 -14.116   3.350   9.234
  452   1HB   LYS  56          HB2       LYS  56 -16.390   3.338   8.320
  453   2HB   LYS  56          HB3       LYS  56 -15.823   2.516   6.878
  454   1HG   LYS  56          HG2       LYS  56 -15.246   0.558   8.239
  455   2HG   LYS  56          HG3       LYS  56 -15.849   1.397   9.673
  456   1HD   LYS  56          HD2       LYS  56 -18.063   1.557   8.667
  457   2HD   LYS  56          HD3       LYS  56 -17.472   0.764   7.208
  458   1HE   LYS  56          HE2       LYS  56 -16.988  -1.255   8.509
  459   2HE   LYS  56          HE3       LYS  56 -17.591  -0.458   9.964
  460   1HZ   LYS  56          HZ1       LYS  56 -19.268  -1.898   8.945
  461   2HZ   LYS  56          HZ2       LYS  56 -19.189  -0.996   7.514
  462   3HZ   LYS  56          HZ3       LYS  56 -19.764  -0.274   8.935
  463    H    ASN  57           HN       ASN  57 -12.474   1.960   9.497
  464    HA   ASN  57           HA       ASN  57 -10.955   1.065   7.222
  465   1HB   ASN  57          HB2       ASN  57  -9.491  -0.030   8.913
  466   2HB   ASN  57          HB3       ASN  57  -9.737   1.685   9.222
  467   1HD2  ASN  57          HD21      ASN  57 -10.203  -1.521  10.360
  468   2HD2  ASN  57          HD22      ASN  57 -10.848  -1.101  11.905
  469    H    VAL  58           HN       VAL  58 -11.088  -0.819   6.201
  470    HA   VAL  58           HA       VAL  58 -12.762  -2.913   7.420
  471    HB   VAL  58           HB       VAL  58 -13.779  -3.427   5.340
  472   1HG1  VAL  58          HG11      VAL  58 -14.959  -1.362   4.769
  473   2HG1  VAL  58          HG12      VAL  58 -14.804  -1.575   6.511
  474   3HG1  VAL  58          HG13      VAL  58 -13.754  -0.438   5.665
  475   1HG2  VAL  58          HG21      VAL  58 -11.865  -3.153   3.874
  476   2HG2  VAL  58          HG22      VAL  58 -13.265  -2.286   3.239
  477   3HG2  VAL  58          HG23      VAL  58 -11.971  -1.401   4.045
  478    H    LEU  59           HN       LEU  59 -12.017  -4.958   7.316
  479    HA   LEU  59           HA       LEU  59  -9.298  -5.321   6.334
  480   1HB   LEU  59          HB2       LEU  59 -10.071  -5.906   8.680
  481   2HB   LEU  59          HB3       LEU  59 -10.992  -7.204   7.967
  482    HG   LEU  59           HG       LEU  59  -8.650  -7.659   9.027
  483   1HD1  LEU  59          HD11      LEU  59  -8.315  -9.530   7.510
  484   2HD1  LEU  59          HD12      LEU  59 -10.011  -9.345   7.951
  485   3HD1  LEU  59          HD13      LEU  59  -9.449  -8.808   6.370
  486   1HD2  LEU  59          HD21      LEU  59  -6.834  -7.606   7.405
  487   2HD2  LEU  59          HD22      LEU  59  -7.889  -6.794   6.247
  488   3HD2  LEU  59          HD23      LEU  59  -7.437  -5.985   7.747
  489    H    THR  60           HN       THR  60  -8.748  -6.814   4.776
  490    HA   THR  60           HA       THR  60 -10.745  -7.273   2.805
  491    HB   THR  60           HB       THR  60  -8.905  -8.438   1.563
  492    HG1  THR  60           HG1      THR  60  -7.241  -9.050   2.694
  493   1HG2  THR  60          HG21      THR  60  -7.570  -6.388   1.224
  494   2HG2  THR  60          HG22      THR  60  -8.329  -5.681   2.649
  495   3HG2  THR  60          HG23      THR  60  -9.304  -6.072   1.232
  496    H    THR  61           HN       THR  61 -11.249  -9.270   1.788
  497    HA   THR  61           HA       THR  61 -11.943 -11.268   3.737
  498    HB   THR  61           HB       THR  61 -13.034 -12.310   1.666
  499    HG1  THR  61           HG1      THR  61 -12.940 -11.203  -0.187
  500   1HG2  THR  61          HG21      THR  61 -14.295 -11.021   3.313
  501   2HG2  THR  61          HG22      THR  61 -14.863 -10.650   1.685
  502   3HG2  THR  61          HG23      THR  61 -13.806  -9.517   2.530
  503    H    SER  62           HN       SER  62  -9.468 -10.789   1.450
  504    HA   SER  62           HA       SER  62  -8.504 -13.524   1.817
  505   1HB   SER  62          HB2       SER  62  -8.705 -12.177  -0.893
  506   2HB   SER  62          HB3       SER  62  -8.005 -13.763  -0.573
  507    HG   SER  62           HG       SER  62 -10.385 -13.863   0.467
  508    H    GLU  63           HN       GLU  63  -6.212 -13.745   1.117
  509    HA   GLU  63           HA       GLU  63  -4.688 -11.454   1.969
  510   1HB   GLU  63          HB2       GLU  63  -3.532 -13.997   0.836
  511   2HB   GLU  63          HB3       GLU  63  -2.777 -12.856   1.932
  512   1HG   GLU  63          HG2       GLU  63  -3.262 -14.614   3.325
  513   2HG   GLU  63          HG3       GLU  63  -4.653 -13.559   3.572
  514    H    PHE  64           HN       PHE  64  -3.420 -10.156   0.757
  515    HA   PHE  64           HA       PHE  64  -3.562 -10.515  -2.161
  516   1HB   PHE  64          HB2       PHE  64  -3.392  -8.047  -0.455
  517   2HB   PHE  64          HB3       PHE  64  -3.009  -8.012  -2.169
  518    HD1  PHE  64           HD1      PHE  64  -4.703  -7.919  -3.790
  519    HD2  PHE  64           HD2      PHE  64  -5.710  -8.713   0.268
  520    HE1  PHE  64           HE1      PHE  64  -7.085  -7.622  -4.326
  521    HE2  PHE  64           HE2      PHE  64  -8.094  -8.421  -0.264
  522    HZ   PHE  64           HZ       PHE  64  -8.784  -7.874  -2.562
  523    H    TYR  65           HN       TYR  65  -1.652  -9.509  -3.309
  524    HA   TYR  65           HA       TYR  65   0.725 -10.663  -2.102
  525   1HB   TYR  65          HB2       TYR  65   0.320  -9.479  -4.857
  526   2HB   TYR  65          HB3       TYR  65   1.751 -10.350  -4.311
  527    HD1  TYR  65           HD1      TYR  65  -1.630 -10.637  -5.574
  528    HD2  TYR  65           HD2      TYR  65   1.592 -12.784  -3.813
  529    HE1  TYR  65           HE1      TYR  65  -2.649 -12.752  -6.307
  530    HE2  TYR  65           HE2      TYR  65   0.578 -14.907  -4.530
  531    HH   TYR  65           HH       TYR  65  -1.520 -15.825  -5.188
  532    H    LEU  66           HN       LEU  66   1.700  -9.381  -0.688
  533    HA   LEU  66           HA       LEU  66   1.780  -6.494  -1.213
  534   1HB   LEU  66          HB2       LEU  66   2.242  -7.979   1.370
  535   2HB   LEU  66          HB3       LEU  66   2.150  -6.238   1.175
  536    HG   LEU  66           HG       LEU  66  -0.114  -8.177   0.720
  537   1HD1  LEU  66          HD11      LEU  66   0.392  -6.199   2.930
  538   2HD1  LEU  66          HD12      LEU  66  -1.090  -7.127   2.710
  539   3HD1  LEU  66          HD13      LEU  66   0.424  -7.956   3.070
  540   1HD2  LEU  66          HD21      LEU  66  -0.076  -5.165   0.631
  541   2HD2  LEU  66          HD22      LEU  66  -0.242  -6.239  -0.759
  542   3HD2  LEU  66          HD23      LEU  66  -1.503  -6.190   0.474
  543    H    SER  67           HN       SER  67   3.701  -5.334  -0.935
  544    HA   SER  67           HA       SER  67   6.147  -6.921  -0.551
  545   1HB   SER  67          HB2       SER  67   5.916  -4.525  -2.389
  546   2HB   SER  67          HB3       SER  67   7.300  -5.596  -2.205
  547    HG   SER  67           HG       SER  67   6.364  -6.467  -3.915
  548    H    ASP  68           HN       ASP  68   6.909  -6.373   1.356
  549    HA   ASP  68           HA       ASP  68   6.301  -3.772   2.507
  550   1HB   ASP  68          HB2       ASP  68   7.653  -6.212   3.680
  551   2HB   ASP  68          HB3       ASP  68   7.317  -4.734   4.570
  552    H    CYS  69           HN       CYS  69   7.621  -2.204   1.801
  553    HA   CYS  69           HA       CYS  69  10.501  -2.660   1.666
  554   1HB   CYS  69          HB2       CYS  69   8.836  -0.182   1.150
  555   2HB   CYS  69          HB3       CYS  69  10.573  -0.297   0.899
  556    H    ASN  70           HN       ASN  70  11.754  -2.347   3.418
  557    HA   ASN  70           HA       ASN  70  10.797  -0.520   5.505
  558   1HB   ASN  70          HB2       ASN  70  11.386  -2.213   7.241
  559   2HB   ASN  70          HB3       ASN  70  10.027  -2.686   6.231
  560   1HD2  ASN  70          HD21      ASN  70  10.306  -4.352   4.706
  561   2HD2  ASN  70          HD22      ASN  70  11.621  -5.466   4.819
  562    H    VAL  71           HN       VAL  71  12.313   0.553   6.616
  563    HA   VAL  71           HA       VAL  71  14.900   0.777   5.466
  564    HB   VAL  71           HB       VAL  71  13.584   2.632   6.581
  565   1HG1  VAL  71          HG11      VAL  71  14.590   1.322   9.101
  566   2HG1  VAL  71          HG12      VAL  71  13.865   2.926   8.999
  567   3HG1  VAL  71          HG13      VAL  71  12.907   1.501   8.605
  568   1HG2  VAL  71          HG21      VAL  71  16.427   2.215   7.493
  569   2HG2  VAL  71          HG22      VAL  71  15.917   2.903   5.951
  570   3HG2  VAL  71          HG23      VAL  71  15.572   3.757   7.455
  571    H    THR  72           HN       THR  72  16.940   0.323   6.445
  572    HA   THR  72           HA       THR  72  16.771  -1.915   8.350
  573    HB   THR  72           HB       THR  72  18.919  -2.703   7.232
  574    HG1  THR  72           HG1      THR  72  18.001  -0.960   5.156
  575   1HG2  THR  72          HG21      THR  72  16.750  -3.787   6.885
  576   2HG2  THR  72          HG22      THR  72  17.710  -3.787   5.404
  577   3HG2  THR  72          HG23      THR  72  16.384  -2.640   5.595
  578    H    SER  73           HN       SER  73  19.855  -0.860   7.303
  579    HA   SER  73           HA       SER  73  20.401   0.167   9.999
  580   1HB   SER  73          HB2       SER  73  22.828  -0.285   9.279
  581   2HB   SER  73          HB3       SER  73  21.798  -1.689   9.558
  582    HG   SER  73           HG       SER  73  21.863  -2.177   7.499
  583    H    ARG  74           HN       ARG  74  20.730   0.871   6.576
  584    HA   ARG  74           HA       ARG  74  21.791   3.522   7.185
  585   1HB   ARG  74          HB2       ARG  74  21.466   1.968   4.634
  586   2HB   ARG  74          HB3       ARG  74  21.766   3.698   4.615
  587   1HG   ARG  74          HG2       ARG  74  23.839   3.354   5.856
  588   2HG   ARG  74          HG3       ARG  74  23.545   1.612   5.851
  589   1HD   ARG  74          HD2       ARG  74  23.604   1.603   3.409
  590   2HD   ARG  74          HD3       ARG  74  23.862   3.346   3.402
  591    HE   ARG  74           HE       ARG  74  25.823   1.672   4.788
  592   1HH1  ARG  74          HH12      ARG  74  24.988   3.666   2.022
  593   2HH1  ARG  74          HH11      ARG  74  26.630   3.811   1.473
  594   1HH2  ARG  74          HH22      ARG  74  27.970   1.865   4.074
  595   2HH2  ARG  74          HH21      ARG  74  28.330   2.778   2.639
  596    HA   PRO  75           HA       PRO  75  17.847   5.382   6.829
  597   1HB   PRO  75          HB2       PRO  75  18.602   7.913   6.134
  598   2HB   PRO  75          HB3       PRO  75  18.720   7.270   7.773
  599   1HG   PRO  75          HG2       PRO  75  20.840   7.716   5.760
  600   2HG   PRO  75          HG3       PRO  75  20.942   7.744   7.527
  601   1HD   PRO  75          HD2       PRO  75  21.784   5.664   5.869
  602   2HD   PRO  75          HD3       PRO  75  21.504   5.541   7.613
  603    H    CYS  76           HN       CYS  76  16.378   5.314   5.284
  604    HA   CYS  76           HA       CYS  76  15.364   5.274   3.259
  605   1HB   CYS  76          HB2       CYS  76  16.354   7.584   3.069
  606   2HB   CYS  76          HB3       CYS  76  17.706   6.869   2.200
  607    H    LYS  77           HN       LYS  77  17.685   3.412   4.075
  608    HA   LYS  77           HA       LYS  77  17.982   2.188   1.417
  609   1HB   LYS  77          HB2       LYS  77  20.117   2.670   2.594
  610   2HB   LYS  77          HB3       LYS  77  19.590   1.644   3.923
  611   1HG   LYS  77          HG2       LYS  77  21.123   0.454   2.478
  612   2HG   LYS  77          HG3       LYS  77  19.516  -0.274   2.417
  613   1HD   LYS  77          HD2       LYS  77  19.102   1.104   0.345
  614   2HD   LYS  77          HD3       LYS  77  20.819   1.507   0.367
  615   1HE   LYS  77          HE2       LYS  77  21.434  -0.777   0.074
  616   2HE   LYS  77          HE3       LYS  77  19.773  -1.315   0.326
  617   1HZ   LYS  77          HZ1       LYS  77  19.192  -0.003  -1.703
  618   2HZ   LYS  77          HZ2       LYS  77  20.162  -1.353  -1.989
  619   3HZ   LYS  77          HZ3       LYS  77  20.851   0.195  -1.991
  620    H    TYR  78           HN       TYR  78  16.786   0.415   1.030
  621    HA   TYR  78           HA       TYR  78  15.340  -0.675   3.367
  622   1HB   TYR  78          HB2       TYR  78  14.291  -0.276   0.561
  623   2HB   TYR  78          HB3       TYR  78  13.384  -0.918   1.925
  624    HD1  TYR  78           HD1      TYR  78  12.541   0.533   3.649
  625    HD2  TYR  78           HD2      TYR  78  14.843   2.089   0.431
  626    HE1  TYR  78           HE1      TYR  78  11.836   2.805   4.250
  627    HE2  TYR  78           HE2      TYR  78  14.138   4.367   1.022
  628    HH   TYR  78           HH       TYR  78  12.346   5.016   3.951
  629    H    LYS  79           HN       LYS  79  14.498  -2.796   3.187
  630    HA   LYS  79           HA       LYS  79  15.765  -4.504   1.152
  631   1HB   LYS  79          HB2       LYS  79  14.697  -5.196   3.899
  632   2HB   LYS  79          HB3       LYS  79  15.222  -6.382   2.719
  633   1HG   LYS  79          HG2       LYS  79  16.943  -4.266   3.984
  634   2HG   LYS  79          HG3       LYS  79  16.929  -5.983   4.390
  635   1HD   LYS  79          HD2       LYS  79  17.640  -6.508   2.095
  636   2HD   LYS  79          HD3       LYS  79  17.703  -4.781   1.736
  637   1HE   LYS  79          HE2       LYS  79  19.371  -4.504   3.534
  638   2HE   LYS  79          HE3       LYS  79  19.347  -6.248   3.793
  639   1HZ   LYS  79          HZ1       LYS  79  21.203  -5.548   2.398
  640   2HZ   LYS  79          HZ2       LYS  79  20.121  -4.903   1.261
  641   3HZ   LYS  79          HZ3       LYS  79  20.148  -6.574   1.553
  642    H    LEU  80           HN       LEU  80  14.363  -6.199   0.277
  643    HA   LEU  80           HA       LEU  80  11.589  -5.255   0.120
  644   1HB   LEU  80          HB2       LEU  80  13.460  -6.251  -1.805
  645   2HB   LEU  80          HB3       LEU  80  12.062  -7.295  -1.767
  646    HG   LEU  80           HG       LEU  80  11.860  -4.336  -2.092
  647   1HD1  LEU  80          HD11      LEU  80  11.566  -4.762  -4.484
  648   2HD1  LEU  80          HD12      LEU  80  13.166  -5.259  -3.933
  649   3HD1  LEU  80          HD13      LEU  80  11.916  -6.470  -4.216
  650   1HD2  LEU  80          HD21      LEU  80   9.927  -6.570  -2.653
  651   2HD2  LEU  80          HD22      LEU  80   9.848  -5.458  -1.288
  652   3HD2  LEU  80          HD23      LEU  80   9.628  -4.853  -2.930
  653    H    LYS  81           HN       LYS  81   9.965  -6.416   0.842
  654    HA   LYS  81           HA       LYS  81  10.453  -9.216   1.601
  655   1HB   LYS  81          HB2       LYS  81  10.488  -7.904   3.632
  656   2HB   LYS  81          HB3       LYS  81   9.012  -7.070   3.171
  657   1HG   LYS  81          HG2       LYS  81   7.788  -9.207   3.353
  658   2HG   LYS  81          HG3       LYS  81   9.275  -9.978   3.910
  659   1HD   LYS  81          HD2       LYS  81   9.350  -8.500   5.835
  660   2HD   LYS  81          HD3       LYS  81   7.918  -7.647   5.262
  661   1HE   LYS  81          HE2       LYS  81   7.376  -9.238   7.042
  662   2HE   LYS  81          HE3       LYS  81   6.585  -9.665   5.526
  663   1HZ   LYS  81          HZ1       LYS  81   9.139 -10.884   6.419
  664   2HZ   LYS  81          HZ2       LYS  81   8.124 -11.403   5.160
  665   3HZ   LYS  81          HZ3       LYS  81   7.619 -11.551   6.773
  666    H    LYS  82           HN       LYS  82   9.341 -10.234   0.035
  667    HA   LYS  82           HA       LYS  82   6.756  -9.254  -0.839
  668   1HB   LYS  82          HB2       LYS  82   8.066 -11.870  -1.583
  669   2HB   LYS  82          HB3       LYS  82   6.860 -10.969  -2.494
  670   1HG   LYS  82          HG2       LYS  82   8.470  -9.228  -2.969
  671   2HG   LYS  82          HG3       LYS  82   9.677 -10.043  -1.973
  672   1HD   LYS  82          HD2       LYS  82   9.397 -12.035  -3.520
  673   2HD   LYS  82          HD3       LYS  82   8.500 -10.949  -4.583
  674   1HE   LYS  82          HE2       LYS  82  10.421  -9.491  -4.775
  675   2HE   LYS  82          HE3       LYS  82  11.317 -10.476  -3.619
  676   1HZ   LYS  82          HZ1       LYS  82  10.557 -11.125  -6.399
  677   2HZ   LYS  82          HZ2       LYS  82  10.913 -12.357  -5.287
  678   3HZ   LYS  82          HZ3       LYS  82  12.089 -11.193  -5.665
  679    H    SER  83           HN       SER  83   4.931  -9.771   0.193
  680    HA   SER  83           HA       SER  83   4.799 -12.308   1.678
  681   1HB   SER  83          HB2       SER  83   3.783  -9.726   2.863
  682   2HB   SER  83          HB3       SER  83   4.099 -11.257   3.679
  683    HG   SER  83           HG       SER  83   5.738  -9.167   3.313
  684    H    THR  84           HN       THR  84   2.856 -13.314   1.446
  685    HA   THR  84           HA       THR  84   0.686 -11.812   0.167
  686    HB   THR  84           HB       THR  84   0.518 -14.737   0.830
  687    HG1  THR  84           HG1      THR  84   2.380 -13.592  -0.792
  688   1HG2  THR  84          HG21      THR  84  -0.532 -13.037  -1.437
  689   2HG2  THR  84          HG22      THR  84  -1.463 -13.634  -0.064
  690   3HG2  THR  84          HG23      THR  84  -0.812 -14.768  -1.248
  691    H    ASN  85           HN       ASN  85  -0.693 -10.832   1.515
  692    HA   ASN  85           HA       ASN  85  -1.743 -12.205   3.821
  693   1HB   ASN  85          HB2       ASN  85   0.537 -10.908   4.384
  694   2HB   ASN  85          HB3       ASN  85  -0.596  -9.577   4.497
  695   1HD2  ASN  85          HD21      ASN  85   1.004 -10.934   6.543
  696   2HD2  ASN  85          HD22      ASN  85  -0.128 -11.438   7.755
  697    H    LYS  86           HN       LYS  86  -3.539 -11.092   4.772
  698    HA   LYS  86           HA       LYS  86  -5.001  -9.416   2.974
  699   1HB   LYS  86          HB2       LYS  86  -5.622  -9.839   5.895
  700   2HB   LYS  86          HB3       LYS  86  -6.743  -9.538   4.574
  701   1HG   LYS  86          HG2       LYS  86  -6.142 -11.763   3.639
  702   2HG   LYS  86          HG3       LYS  86  -5.181 -12.057   5.090
  703   1HD   LYS  86          HD2       LYS  86  -7.266 -11.638   6.421
  704   2HD   LYS  86          HD3       LYS  86  -8.143 -11.616   4.902
  705   1HE   LYS  86          HE2       LYS  86  -7.462 -13.877   4.435
  706   2HE   LYS  86          HE3       LYS  86  -6.468 -13.915   5.886
  707   1HZ   LYS  86          HZ1       LYS  86  -8.480 -13.653   7.214
  708   2HZ   LYS  86          HZ2       LYS  86  -8.561 -15.041   6.244
  709   3HZ   LYS  86          HZ3       LYS  86  -9.430 -13.654   5.808
  710    H    PHE  87           HN       PHE  87  -5.981  -7.284   3.984
  711    HA   PHE  87           HA       PHE  87  -4.315  -5.990   5.925
  712   1HB   PHE  87          HB2       PHE  87  -3.678  -4.072   4.463
  713   2HB   PHE  87          HB3       PHE  87  -2.879  -5.585   4.058
  714    HD1  PHE  87           HD1      PHE  87  -3.079  -6.525   1.914
  715    HD2  PHE  87           HD2      PHE  87  -5.573  -3.261   3.025
  716    HE1  PHE  87           HE1      PHE  87  -3.776  -6.258  -0.429
  717    HE2  PHE  87           HE2      PHE  87  -6.281  -3.004   0.682
  718    HZ   PHE  87           HZ       PHE  87  -5.378  -4.507  -1.052
  719    H    CYS  88           HN       CYS  88  -5.227  -4.158   6.828
  720    HA   CYS  88           HA       CYS  88  -8.050  -3.784   6.128
  721   1HB   CYS  88          HB2       CYS  88  -7.106  -4.179   8.583
  722   2HB   CYS  88          HB3       CYS  88  -6.749  -2.460   8.481
  723    H    VAL  89           HN       VAL  89  -8.544  -2.124   4.840
  724    HA   VAL  89           HA       VAL  89  -6.728   0.188   4.779
  725    HB   VAL  89           HB       VAL  89  -7.986   0.788   2.647
  726   1HG1  VAL  89          HG11      VAL  89  -5.732  -0.084   2.601
  727   2HG1  VAL  89          HG12      VAL  89  -6.338  -1.735   2.727
  728   3HG1  VAL  89          HG13      VAL  89  -6.668  -0.783   1.278
  729   1HG2  VAL  89          HG21      VAL  89  -9.120  -1.031   1.469
  730   2HG2  VAL  89          HG22      VAL  89  -8.877  -2.090   2.859
  731   3HG2  VAL  89          HG23      VAL  89  -9.924  -0.679   2.999
  732    H    THR  90           HN       THR  90  -7.514   2.259   5.076
  733    HA   THR  90           HA       THR  90 -10.039   2.417   6.488
  734    HB   THR  90           HB       THR  90  -8.174   4.689   5.773
  735    HG1  THR  90           HG1      THR  90  -7.741   2.612   7.395
  736   1HG2  THR  90          HG21      THR  90  -9.200   5.782   7.718
  737   2HG2  THR  90          HG22      THR  90 -10.244   4.381   7.956
  738   3HG2  THR  90          HG23      THR  90 -10.414   5.370   6.506
  739    H    CYS  91           HN       CYS  91 -11.802   2.399   5.229
  740    HA   CYS  91           HA       CYS  91 -11.704   3.541   2.566
  741   1HB   CYS  91          HB2       CYS  91 -13.933   2.139   4.042
  742   2HB   CYS  91          HB3       CYS  91 -13.919   2.536   2.324
  743    H    GLU  92           HN       GLU  92 -12.449   5.452   1.993
  744    HA   GLU  92           HA       GLU  92 -14.511   6.754   3.604
  745   1HB   GLU  92          HB2       GLU  92 -12.185   7.521   4.324
  746   2HB   GLU  92          HB3       GLU  92 -12.030   8.226   2.726
  747   1HG   GLU  92          HG2       GLU  92 -13.925   9.668   3.138
  748   2HG   GLU  92          HG3       GLU  92 -14.163   8.930   4.722
  749    H    ASN  93           HN       ASN  93 -16.058   7.426   2.303
  750    HA   ASN  93           HA       ASN  93 -17.247   7.962   0.453
  751   1HB   ASN  93          HB2       ASN  93 -14.652   9.304  -0.327
  752   2HB   ASN  93          HB3       ASN  93 -16.163   9.504  -1.206
  753   1HD2  ASN  93          HD21      ASN  93 -14.294  10.476   1.468
  754   2HD2  ASN  93          HD22      ASN  93 -15.431  11.595   2.140
  755    H    GLN  94           HN       GLN  94 -16.123   5.425   0.519
  756    HA   GLN  94           HA       GLN  94 -16.035   3.571  -0.763
  757   1HB   GLN  94          HB2       GLN  94 -16.858   5.436  -2.987
  758   2HB   GLN  94          HB3       GLN  94 -16.806   3.683  -3.111
  759   1HG   GLN  94          HG2       GLN  94 -18.426   3.620  -1.181
  760   2HG   GLN  94          HG3       GLN  94 -18.604   5.361  -1.386
  761   1HE2  GLN  94          HE21      GLN  94 -18.092   3.199  -4.056
  762   2HE2  GLN  94          HE22      GLN  94 -19.676   3.336  -4.732
  763    H    ALA  95           HN       ALA  95 -13.712   5.304  -0.400
  764    HA   ALA  95           HA       ALA  95 -12.027   3.909  -2.321
  765   1HB   ALA  95          HB1       ALA  95 -10.738   5.926  -2.848
  766   2HB   ALA  95          HB2       ALA  95 -12.420   6.087  -3.358
  767   3HB   ALA  95          HB3       ALA  95 -11.862   6.895  -1.892
  768    HA   PRO  96           HA       PRO  96  -9.567   3.339   1.393
  769   1HB   PRO  96          HB2       PRO  96  -7.437   2.774  -0.573
  770   2HB   PRO  96          HB3       PRO  96  -8.045   1.770   0.745
  771   1HG   PRO  96          HG2       PRO  96  -8.591   1.233  -1.837
  772   2HG   PRO  96          HG3       PRO  96  -9.738   0.886  -0.536
  773   1HD   PRO  96          HD2       PRO  96  -9.764   3.079  -2.543
  774   2HD   PRO  96          HD3       PRO  96 -11.117   2.215  -1.793
  775    H    VAL  97           HN       VAL  97  -9.029   5.249   2.329
  776    HA   VAL  97           HA       VAL  97  -7.396   7.131   0.780
  777    HB   VAL  97           HB       VAL  97  -8.053   8.842   2.408
  778   1HG1  VAL  97          HG11      VAL  97  -9.427   8.549   0.436
  779   2HG1  VAL  97          HG12      VAL  97 -10.371   7.302   1.250
  780   3HG1  VAL  97          HG13      VAL  97 -10.437   8.968   1.820
  781   1HG2  VAL  97          HG21      VAL  97  -8.300   7.406   4.362
  782   2HG2  VAL  97          HG22      VAL  97  -9.750   8.371   4.091
  783   3HG2  VAL  97          HG23      VAL  97  -9.729   6.666   3.644
  784    H    HIS  98           HN       HIS  98  -7.335   5.129   3.611
  785    HA   HIS  98           HA       HIS  98  -4.557   5.894   4.042
  786   1HB   HIS  98          HB2       HIS  98  -6.736   6.154   6.093
  787   2HB   HIS  98          HB3       HIS  98  -5.078   5.833   6.590
  788    HD1  HIS  98           HD1      HIS  98  -3.295   7.689   5.954
  789    HD2  HIS  98           HD2      HIS  98  -7.276   8.773   5.439
  790    HE1  HIS  98           HE1      HIS  98  -3.292  10.196   5.715
  791    HE2  HIS  98           HE2      HIS  98  -5.723  10.830   5.593
  792    H    PHE  99           HN       PHE  99  -3.393   4.360   5.427
  793    HA   PHE  99           HA       PHE  99  -4.504   1.663   5.038
  794   1HB   PHE  99          HB2       PHE  99  -2.385   2.286   3.812
  795   2HB   PHE  99          HB3       PHE  99  -1.594   2.418   5.378
  796    HD1  PHE  99           HD1      PHE  99  -0.566   0.574   6.290
  797    HD2  PHE  99           HD2      PHE  99  -3.545   0.018   3.304
  798    HE1  PHE  99           HE1      PHE  99  -0.074  -1.833   6.255
  799    HE2  PHE  99           HE2      PHE  99  -3.060  -2.393   3.265
  800    HZ   PHE  99           HZ       PHE  99  -1.318  -3.320   4.705
  801    H    VAL 100           HN       VAL 100  -4.531   0.208   6.718
  802    HA   VAL 100           HA       VAL 100  -4.082   1.368   9.380
  803    HB   VAL 100           HB       VAL 100  -5.743  -1.014   8.542
  804   1HG1  VAL 100          HG11      VAL 100  -4.942  -1.406  10.753
  805   2HG1  VAL 100          HG12      VAL 100  -5.335   0.242  11.246
  806   3HG1  VAL 100          HG13      VAL 100  -6.628  -0.899  10.869
  807   1HG2  VAL 100          HG21      VAL 100  -7.664   0.388   9.109
  808   2HG2  VAL 100          HG22      VAL 100  -6.579   1.730   9.474
  809   3HG2  VAL 100          HG23      VAL 100  -6.698   1.116   7.826
  810    H    GLY 101           HN       GLY 101  -4.032  -1.968   8.122
  811   1HA   GLY 101          HA1       GLY 101  -1.254  -2.362   8.543
  812   2HA   GLY 101          HA2       GLY 101  -2.171  -3.005   9.899
  813    H    VAL 102           HN       VAL 102  -0.742  -4.808   8.521
  814    HA   VAL 102           HA       VAL 102  -2.566  -5.960   6.538
  815    HB   VAL 102           HB       VAL 102  -0.852  -7.120   5.593
  816   1HG1  VAL 102          HG11      VAL 102   1.132  -5.689   5.429
  817   2HG1  VAL 102          HG12      VAL 102  -0.379  -4.791   5.292
  818   3HG1  VAL 102          HG13      VAL 102   0.539  -4.748   6.797
  819   1HG2  VAL 102          HG21      VAL 102  -0.192  -8.358   7.588
  820   2HG2  VAL 102          HG22      VAL 102   1.205  -7.830   6.650
  821   3HG2  VAL 102          HG23      VAL 102   0.762  -6.974   8.128
  822    H    GLY 103           HN       GLY 103  -3.050  -8.219   6.601
  823   1HA   GLY 103          HA1       GLY 103  -3.450 -10.245   7.715
  824   2HA   GLY 103          HA2       GLY 103  -2.801  -9.545   9.192
  825    H    SER 104           HN       SER 104  -4.143  -7.614   9.973
  826    HA   SER 104           HA       SER 104  -6.941  -7.571   9.393
  827   1HB   SER 104          HB2       SER 104  -6.643  -9.638  10.893
  828   2HB   SER 104          HB3       SER 104  -6.201  -8.505  12.168
  829    HG   SER 104           HG       SER 104  -8.239  -8.185  12.481
  830    H    CYS 105           HN       CYS 105  -8.010  -6.084  11.137
  831    HA   CYS 105           HA       CYS 105  -5.991  -4.144  11.984
  832   1HB   CYS 105          HB2       CYS 105  -7.920  -2.444  11.770
  833   2HB   CYS 105          HB3       CYS 105  -7.059  -2.983  10.336
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1  -7.993  13.065   6.570
    2   2H    MET   1           H2       MET   1  -8.883  13.540   5.208
    3   3H    MET   1           H3       MET   1  -8.392  14.698   6.342
    4    HA   MET   1           HA       MET   1  -7.002  14.840   4.416
    5   1HB   MET   1          HB2       MET   1  -5.609  13.564   6.780
    6   2HB   MET   1          HB3       MET   1  -4.784  14.404   5.474
    7   1HG   MET   1          HG2       MET   1  -5.963  16.466   6.063
    8   2HG   MET   1          HG3       MET   1  -6.770  15.621   7.382
    9   1HE   MET   1          HE1       MET   1  -2.238  16.500   7.218
   10   2HE   MET   1          HE2       MET   1  -3.017  15.342   6.140
   11   3HE   MET   1          HE3       MET   1  -3.399  17.061   6.013
   12    H    GLN   2           HN       GLN   2  -5.364  13.843   3.082
   13    HA   GLN   2           HA       GLN   2  -4.596  12.268   1.662
   14   1HB   GLN   2          HB2       GLN   2  -5.427  10.263   3.766
   15   2HB   GLN   2          HB3       GLN   2  -4.430   9.913   2.361
   16   1HG   GLN   2          HG2       GLN   2  -2.800  11.620   3.236
   17   2HG   GLN   2          HG3       GLN   2  -3.749  11.645   4.720
   18   1HE2  GLN   2          HE21      GLN   2  -0.997  10.881   4.325
   19   2HE2  GLN   2          HE22      GLN   2  -0.857   9.247   4.876
   20    H    ASP   3           HN       ASP   3  -5.319  10.611   0.131
   21    HA   ASP   3           HA       ASP   3  -8.153  10.080   0.010
   22   1HB   ASP   3          HB2       ASP   3  -8.624  11.333  -1.978
   23   2HB   ASP   3          HB3       ASP   3  -7.903  12.448  -0.821
   24    H    TRP   4           HN       TRP   4  -8.584   9.258  -2.393
   25    HA   TRP   4           HA       TRP   4  -7.260   6.803  -2.534
   26   1HB   TRP   4          HB2       TRP   4  -9.538   7.104  -3.315
   27   2HB   TRP   4          HB3       TRP   4  -8.995   8.211  -4.567
   28    HD1  TRP   4           HD1      TRP   4  -9.332   7.030  -6.791
   29    HE1  TRP   4           HE1      TRP   4  -8.805   4.702  -7.754
   30    HE3  TRP   4           HE3      TRP   4  -7.524   4.788  -2.563
   31    HZ2  TRP   4           HZ2      TRP   4  -7.760   2.255  -6.845
   32    HZ3  TRP   4           HZ3      TRP   4  -6.799   2.436  -2.701
   33    HH2  TRP   4           HH2      TRP   4  -6.901   1.207  -4.800
   34    H    LEU   5           HN       LEU   5  -6.773   9.782  -4.414
   35    HA   LEU   5           HA       LEU   5  -5.028   8.595  -6.314
   36   1HB   LEU   5          HB2       LEU   5  -5.480  11.451  -5.473
   37   2HB   LEU   5          HB3       LEU   5  -4.315  11.010  -6.705
   38    HG   LEU   5           HG       LEU   5  -6.332  11.749  -7.763
   39   1HD1  LEU   5          HD11      LEU   5  -5.155   9.956  -8.876
   40   2HD1  LEU   5          HD12      LEU   5  -6.064   8.759  -7.954
   41   3HD1  LEU   5          HD13      LEU   5  -6.892   9.790  -9.120
   42   1HD2  LEU   5          HD21      LEU   5  -7.770   9.623  -6.192
   43   2HD2  LEU   5          HD22      LEU   5  -7.926  11.367  -5.981
   44   3HD2  LEU   5          HD23      LEU   5  -8.477  10.607  -7.474
   45    H    THR   6           HN       THR   6  -4.531  10.258  -3.250
   46    HA   THR   6           HA       THR   6  -1.685  10.213  -3.358
   47    HB   THR   6           HB       THR   6  -3.481  10.373  -0.921
   48    HG1  THR   6           HG1      THR   6  -4.027  12.181  -1.965
   49   1HG2  THR   6          HG21      THR   6  -1.572  11.506   0.123
   50   2HG2  THR   6          HG22      THR   6  -0.615  11.244  -1.334
   51   3HG2  THR   6          HG23      THR   6  -1.147   9.866  -0.371
   52    H    PHE   7           HN       PHE   7  -4.154   8.097  -1.997
   53    HA   PHE   7           HA       PHE   7  -2.503   6.277  -0.655
   54   1HB   PHE   7          HB2       PHE   7  -4.996   6.431  -0.464
   55   2HB   PHE   7          HB3       PHE   7  -5.125   5.698  -2.058
   56    HD1  PHE   7           HD1      PHE   7  -4.634   5.131   1.464
   57    HD2  PHE   7           HD2      PHE   7  -4.377   3.337  -2.387
   58    HE1  PHE   7           HE1      PHE   7  -4.602   2.899   2.507
   59    HE2  PHE   7           HE2      PHE   7  -4.350   1.105  -1.353
   60    HZ   PHE   7           HZ       PHE   7  -4.462   0.884   1.098
   61    H    GLN   8           HN       GLN   8  -3.690   6.336  -3.977
   62    HA   GLN   8           HA       GLN   8  -2.804   3.885  -4.880
   63   1HB   GLN   8          HB2       GLN   8  -3.411   6.499  -6.120
   64   2HB   GLN   8          HB3       GLN   8  -2.488   5.356  -7.080
   65   1HG   GLN   8          HG2       GLN   8  -4.255   3.689  -6.791
   66   2HG   GLN   8          HG3       GLN   8  -5.174   4.843  -5.825
   67   1HE2  GLN   8          HE21      GLN   8  -6.153   6.578  -6.827
   68   2HE2  GLN   8          HE22      GLN   8  -6.407   6.636  -8.539
   69    H    LYS   9           HN       LYS   9  -1.104   6.995  -5.257
   70    HA   LYS   9           HA       LYS   9   1.123   6.030  -6.580
   71   1HB   LYS   9          HB2       LYS   9   0.954   8.339  -4.637
   72   2HB   LYS   9          HB3       LYS   9   2.246   8.083  -5.803
   73   1HG   LYS   9          HG2       LYS   9   0.799   8.452  -7.633
   74   2HG   LYS   9          HG3       LYS   9  -0.632   8.377  -6.605
   75   1HD   LYS   9          HD2       LYS   9   0.037  10.418  -5.491
   76   2HD   LYS   9          HD3       LYS   9   1.518  10.485  -6.448
   77   1HE   LYS   9          HE2       LYS   9  -1.299  10.653  -7.518
   78   2HE   LYS   9          HE3       LYS   9  -0.180  12.001  -7.334
   79   1HZ   LYS   9          HZ1       LYS   9  -0.182  11.250  -9.601
   80   2HZ   LYS   9          HZ2       LYS   9   0.163   9.660  -9.133
   81   3HZ   LYS   9          HZ3       LYS   9   1.320  10.880  -8.906
   82    H    LYS  10           HN       LYS  10   0.376   5.969  -3.190
   83    HA   LYS  10           HA       LYS  10   3.130   5.319  -2.464
   84   1HB   LYS  10          HB2       LYS  10   0.667   5.880  -0.825
   85   2HB   LYS  10          HB3       LYS  10   2.184   5.358  -0.110
   86   1HG   LYS  10          HG2       LYS  10   3.287   7.347  -0.883
   87   2HG   LYS  10          HG3       LYS  10   1.845   7.844  -1.774
   88   1HD   LYS  10          HD2       LYS  10   0.602   8.008   0.325
   89   2HD   LYS  10          HD3       LYS  10   2.032   7.497   1.221
   90   1HE   LYS  10          HE2       LYS  10   1.981   9.947  -0.525
   91   2HE   LYS  10          HE3       LYS  10   1.541   9.983   1.180
   92   1HZ   LYS  10          HZ1       LYS  10   3.787   9.030   1.639
   93   2HZ   LYS  10          HZ2       LYS  10   3.794  10.605   1.018
   94   3HZ   LYS  10          HZ3       LYS  10   4.180   9.295   0.011
   95    H    HIS  11           HN       HIS  11   0.223   3.564  -3.127
   96    HA   HIS  11           HA       HIS  11   1.399   1.261  -1.720
   97   1HB   HIS  11          HB2       HIS  11  -1.465   2.173  -1.511
   98   2HB   HIS  11          HB3       HIS  11  -0.906   0.585  -0.993
   99    HD1  HIS  11           HD1      HIS  11   0.941   0.613   0.977
  100    HD2  HIS  11           HD2      HIS  11  -1.119   4.171   0.318
  101    HE1  HIS  11           HE1      HIS  11   1.327   2.014   3.029
  102    HE2  HIS  11           HE2      HIS  11   0.261   4.238   2.513
  103    H    ILE  12           HN       ILE  12   0.106   2.358  -4.626
  104    HA   ILE  12           HA       ILE  12  -0.783  -0.338  -5.375
  105    HB   ILE  12           HB       ILE  12  -1.113   2.287  -6.844
  106   1HG1  ILE  12          HG12      ILE  12  -2.506   2.120  -4.846
  107   2HG1  ILE  12          HG13      ILE  12  -3.493   2.031  -6.297
  108   1HG2  ILE  12          HG21      ILE  12  -2.126  -0.465  -7.535
  109   2HG2  ILE  12          HG22      ILE  12  -2.635   1.028  -8.331
  110   3HG2  ILE  12          HG23      ILE  12  -0.955   0.492  -8.447
  111   1HD1  ILE  12          HD11      ILE  12  -2.660  -0.287  -4.568
  112   2HD1  ILE  12          HD12      ILE  12  -4.259   0.456  -4.632
  113   3HD1  ILE  12          HD13      ILE  12  -3.627  -0.399  -6.038
  114    H    THR  13           HN       THR  13   0.783  -1.596  -6.102
  115    HA   THR  13           HA       THR  13   2.707  -0.447  -8.012
  116    HB   THR  13           HB       THR  13   3.835  -1.013  -5.878
  117    HG1  THR  13           HG1      THR  13   5.146  -2.888  -7.111
  118   1HG2  THR  13          HG21      THR  13   2.921  -3.825  -6.480
  119   2HG2  THR  13          HG22      THR  13   2.450  -2.835  -5.095
  120   3HG2  THR  13          HG23      THR  13   4.118  -3.390  -5.257
  121    H    ASN  14           HN       ASN  14   3.344  -1.807  -9.747
  122    HA   ASN  14           HA       ASN  14   1.347  -3.898 -10.298
  123   1HB   ASN  14          HB2       ASN  14   1.809  -3.455 -12.709
  124   2HB   ASN  14          HB3       ASN  14   1.124  -2.077 -11.858
  125   1HD2  ASN  14          HD21      ASN  14   2.311  -0.229 -11.632
  126   2HD2  ASN  14          HD22      ASN  14   3.835   0.024 -12.410
  127    H    THR  15           HN       THR  15   4.193  -3.858  -9.066
  128    HA   THR  15           HA       THR  15   4.963  -6.334 -10.411
  129    HB   THR  15           HB       THR  15   6.400  -4.554 -11.362
  130    HG1  THR  15           HG1      THR  15   8.469  -5.626 -10.516
  131   1HG2  THR  15          HG21      THR  15   7.383  -4.213  -8.523
  132   2HG2  THR  15          HG22      THR  15   6.461  -3.029  -9.450
  133   3HG2  THR  15          HG23      THR  15   8.093  -3.468  -9.956
  134    H    ARG  16           HN       ARG  16   5.946  -7.860  -9.061
  135    HA   ARG  16           HA       ARG  16   5.184  -7.783  -6.350
  136   1HB   ARG  16          HB2       ARG  16   7.032  -9.605  -7.875
  137   2HB   ARG  16          HB3       ARG  16   6.695  -9.829  -6.163
  138   1HG   ARG  16          HG2       ARG  16   4.602  -9.776  -8.325
  139   2HG   ARG  16          HG3       ARG  16   5.298 -11.240  -7.623
  140   1HD   ARG  16          HD2       ARG  16   3.970  -9.115  -5.964
  141   2HD   ARG  16          HD3       ARG  16   3.072 -10.457  -6.671
  142    HE   ARG  16           HE       ARG  16   4.766 -11.883  -5.385
  143   1HH1  ARG  16          HH12      ARG  16   3.684  -8.744  -4.287
  144   2HH1  ARG  16          HH11      ARG  16   3.754  -9.157  -2.604
  145   1HH2  ARG  16          HH22      ARG  16   4.821 -12.457  -3.159
  146   2HH2  ARG  16          HH21      ARG  16   4.347 -11.283  -1.971
  147    H    ASP  17           HN       ASP  17   8.508  -7.736  -7.714
  148    HA   ASP  17           HA       ASP  17   9.428  -6.613  -5.215
  149   1HB   ASP  17          HB2       ASP  17  11.676  -6.655  -6.359
  150   2HB   ASP  17          HB3       ASP  17  10.928  -8.216  -6.090
  151    H    VAL  18           HN       VAL  18   8.331  -4.670  -5.227
  152    HA   VAL  18           HA       VAL  18   8.654  -2.721  -7.259
  153    HB   VAL  18           HB       VAL  18   6.814  -2.325  -5.846
  154   1HG1  VAL  18          HG11      VAL  18   7.057  -1.986  -3.368
  155   2HG1  VAL  18          HG12      VAL  18   7.302  -3.643  -3.930
  156   3HG1  VAL  18          HG13      VAL  18   8.691  -2.637  -3.515
  157   1HG2  VAL  18          HG21      VAL  18   7.324  -0.149  -4.735
  158   2HG2  VAL  18          HG22      VAL  18   9.030  -0.432  -5.090
  159   3HG2  VAL  18          HG23      VAL  18   7.869  -0.263  -6.409
  160    H    ASP  19           HN       ASP  19  10.325  -1.372  -7.651
  161    HA   ASP  19           HA       ASP  19  12.745  -1.863  -6.202
  162   1HB   ASP  19          HB2       ASP  19  12.718  -1.600  -8.676
  163   2HB   ASP  19          HB3       ASP  19  12.310   0.100  -8.455
  164    H    CYS  20           HN       CYS  20  11.691  -1.071  -4.252
  165    HA   CYS  20           HA       CYS  20  11.091   1.542  -3.660
  166   1HB   CYS  20          HB2       CYS  20  12.196  -0.697  -2.000
  167   2HB   CYS  20          HB3       CYS  20  11.790   0.871  -1.297
  168    H    ASP  21           HN       ASP  21  14.260   0.079  -3.938
  169    HA   ASP  21           HA       ASP  21  15.954   1.789  -2.699
  170   1HB   ASP  21          HB2       ASP  21  16.750  -0.094  -4.017
  171   2HB   ASP  21          HB3       ASP  21  16.252   0.704  -5.506
  172    H    ASN  22           HN       ASN  22  14.552   2.357  -5.915
  173    HA   ASN  22           HA       ASN  22  15.503   5.119  -5.835
  174   1HB   ASN  22          HB2       ASN  22  15.757   3.661  -7.889
  175   2HB   ASN  22          HB3       ASN  22  14.015   3.747  -8.073
  176   1HD2  ASN  22          HD21      ASN  22  14.258   4.762 -10.082
  177   2HD2  ASN  22          HD22      ASN  22  14.705   6.436 -10.197
  178    H    ILE  23           HN       ILE  23  12.537   3.250  -6.061
  179    HA   ILE  23           HA       ILE  23  10.754   5.353  -6.498
  180    HB   ILE  23           HB       ILE  23  10.304   2.670  -5.204
  181   1HG1  ILE  23          HG12      ILE  23   9.715   3.775  -7.963
  182   2HG1  ILE  23          HG13      ILE  23  10.999   2.641  -7.558
  183   1HG2  ILE  23          HG21      ILE  23   7.912   3.024  -5.506
  184   2HG2  ILE  23          HG22      ILE  23   8.584   4.249  -4.429
  185   3HG2  ILE  23          HG23      ILE  23   8.216   4.655  -6.106
  186   1HD1  ILE  23          HD11      ILE  23   9.346   0.963  -6.965
  187   2HD1  ILE  23          HD12      ILE  23   8.048   2.104  -7.318
  188   3HD1  ILE  23          HD13      ILE  23   9.102   1.539  -8.615
  189    H    LEU  24           HN       LEU  24  11.731   3.909  -3.355
  190    HA   LEU  24           HA       LEU  24  10.039   5.723  -1.893
  191   1HB   LEU  24          HB2       LEU  24  12.290   3.975  -0.903
  192   2HB   LEU  24          HB3       LEU  24  11.181   4.861   0.118
  193    HG   LEU  24           HG       LEU  24  10.518   2.514  -1.659
  194   1HD1  LEU  24          HD11      LEU  24  10.457   2.886   1.332
  195   2HD1  LEU  24          HD12      LEU  24   9.940   1.443   0.458
  196   3HD1  LEU  24          HD13      LEU  24  11.635   1.936   0.423
  197   1HD2  LEU  24          HD21      LEU  24   8.264   2.688  -0.659
  198   2HD2  LEU  24          HD22      LEU  24   8.718   4.257   0.008
  199   3HD2  LEU  24          HD23      LEU  24   8.658   4.027  -1.740
  200    H    SER  25           HN       SER  25  12.970   6.056  -3.434
  201    HA   SER  25           HA       SER  25  14.224   7.836  -1.541
  202   1HB   SER  25          HB2       SER  25  15.509   6.323  -3.071
  203   2HB   SER  25          HB3       SER  25  14.972   7.309  -4.428
  204    HG   SER  25           HG       SER  25  16.125   8.712  -2.342
  205    H    THR  26           HN       THR  26  11.898   8.086  -4.019
  206    HA   THR  26           HA       THR  26  12.357  10.799  -4.755
  207    HB   THR  26           HB       THR  26  10.083  10.756  -5.682
  208    HG1  THR  26           HG1      THR  26   9.843   8.068  -4.791
  209   1HG2  THR  26          HG21      THR  26  11.901   9.813  -7.005
  210   2HG2  THR  26          HG22      THR  26  10.394   8.945  -7.297
  211   3HG2  THR  26          HG23      THR  26  11.635   8.236  -6.265
  212    H    ASN  27           HN       ASN  27  10.701  12.527  -4.285
  213    HA   ASN  27           HA       ASN  27  10.518  12.834  -1.445
  214   1HB   ASN  27          HB2       ASN  27  10.925  14.696  -3.112
  215   2HB   ASN  27          HB3       ASN  27   9.217  14.586  -3.534
  216   1HD2  ASN  27          HD21      ASN  27   8.723  16.626  -2.831
  217   2HD2  ASN  27          HD22      ASN  27   8.692  17.045  -1.147
  218    H    LEU  28           HN       LEU  28   8.630  11.164  -3.576
  219    HA   LEU  28           HA       LEU  28   6.032  11.662  -2.522
  220   1HB   LEU  28          HB2       LEU  28   6.341  10.685  -4.728
  221   2HB   LEU  28          HB3       LEU  28   7.173   9.309  -4.034
  222    HG   LEU  28           HG       LEU  28   5.085   8.615  -2.918
  223   1HD1  LEU  28          HD11      LEU  28   4.055  10.822  -2.702
  224   2HD1  LEU  28          HD12      LEU  28   3.835  10.891  -4.451
  225   3HD1  LEU  28          HD13      LEU  28   2.975   9.674  -3.501
  226   1HD2  LEU  28          HD21      LEU  28   5.656   7.705  -5.106
  227   2HD2  LEU  28          HD22      LEU  28   3.910   7.885  -4.932
  228   3HD2  LEU  28          HD23      LEU  28   4.824   9.047  -5.893
  229    H    PHE  29           HN       PHE  29   8.771   9.929  -1.454
  230    HA   PHE  29           HA       PHE  29   7.212   8.851   0.794
  231   1HB   PHE  29          HB2       PHE  29   9.469   7.413  -0.623
  232   2HB   PHE  29          HB3       PHE  29   8.637   6.843   0.818
  233    HD1  PHE  29           HD1      PHE  29   8.557   7.103  -2.780
  234    HD2  PHE  29           HD2      PHE  29   6.265   6.145   0.673
  235    HE1  PHE  29           HE1      PHE  29   6.920   5.942  -4.195
  236    HE2  PHE  29           HE2      PHE  29   4.621   4.984  -0.740
  237    HZ   PHE  29           HZ       PHE  29   4.950   4.880  -3.178
  238    H    HIS  30           HN       HIS  30  10.413   9.651  -0.446
  239    HA   HIS  30           HA       HIS  30  12.306  10.451   0.478
  240   1HB   HIS  30          HB2       HIS  30  10.539  12.291   1.010
  241   2HB   HIS  30          HB3       HIS  30  10.707  11.730   2.673
  242    HD1  HIS  30           HD1      HIS  30  12.461  12.925   3.964
  243    HD2  HIS  30           HD2      HIS  30  13.231  12.952  -0.122
  244    HE1  HIS  30           HE1      HIS  30  14.564  14.278   3.676
  245    HE2  HIS  30           HE2      HIS  30  15.134  14.070   1.228
  246    H    CYS  31           HN       CYS  31  12.064   7.966   1.069
  247    HA   CYS  31           HA       CYS  31  12.417   6.248   2.496
  248   1HB   CYS  31          HB2       CYS  31  14.519   6.627   3.903
  249   2HB   CYS  31          HB3       CYS  31  14.646   6.742   2.157
  250    H    LYS  32           HN       LYS  32  10.220   7.045   3.572
  251    HA   LYS  32           HA       LYS  32  10.509   7.471   6.380
  252   1HB   LYS  32          HB2       LYS  32   8.180   7.058   6.555
  253   2HB   LYS  32          HB3       LYS  32   8.401   7.929   5.051
  254   1HG   LYS  32          HG2       LYS  32   8.171   4.937   5.143
  255   2HG   LYS  32          HG3       LYS  32   6.766   5.986   5.073
  256   1HD   LYS  32          HD2       LYS  32   7.009   5.656   2.851
  257   2HD   LYS  32          HD3       LYS  32   8.147   6.993   3.014
  258   1HE   LYS  32          HE2       LYS  32   8.965   5.007   1.700
  259   2HE   LYS  32          HE3       LYS  32  10.004   5.529   3.024
  260   1HZ   LYS  32          HZ1       LYS  32   9.637   3.079   2.843
  261   2HZ   LYS  32          HZ2       LYS  32   8.025   3.339   3.295
  262   3HZ   LYS  32          HZ3       LYS  32   9.284   3.745   4.357
  263    H    ASP  33           HN       ASP  33   9.812   5.752   7.974
  264    HA   ASP  33           HA       ASP  33  11.719   3.811   8.125
  265   1HB   ASP  33          HB2       ASP  33   8.962   3.890   9.326
  266   2HB   ASP  33          HB3       ASP  33  10.066   2.562   9.663
  267    H    LYS  34           HN       LYS  34   8.350   3.147   7.101
  268    HA   LYS  34           HA       LYS  34   9.363   1.161   5.256
  269   1HB   LYS  34          HB2       LYS  34   8.164  -0.728   6.111
  270   2HB   LYS  34          HB3       LYS  34   9.182  -0.094   7.390
  271   1HG   LYS  34          HG2       LYS  34   6.259   0.555   7.168
  272   2HG   LYS  34          HG3       LYS  34   6.871  -0.844   8.048
  273   1HD   LYS  34          HD2       LYS  34   8.295   0.770   9.371
  274   2HD   LYS  34          HD3       LYS  34   7.362   2.069   8.621
  275   1HE   LYS  34          HE2       LYS  34   6.251  -0.185  10.288
  276   2HE   LYS  34          HE3       LYS  34   6.471   1.482  10.818
  277   1HZ   LYS  34          HZ1       LYS  34   4.825   2.225   9.309
  278   2HZ   LYS  34          HZ2       LYS  34   4.168   0.882  10.113
  279   3HZ   LYS  34          HZ3       LYS  34   4.742   0.723   8.523
  280    H    ASN  35           HN       ASN  35   7.588   0.151   3.978
  281    HA   ASN  35           HA       ASN  35   5.047   1.530   3.937
  282   1HB   ASN  35          HB2       ASN  35   6.621   3.031   2.643
  283   2HB   ASN  35          HB3       ASN  35   6.827   1.715   1.497
  284   1HD2  ASN  35          HD21      ASN  35   5.149   1.182   0.123
  285   2HD2  ASN  35          HD22      ASN  35   3.796   2.231  -0.132
  286    H    THR  36           HN       THR  36   3.595   0.016   3.510
  287    HA   THR  36           HA       THR  36   4.444  -2.451   2.203
  288    HB   THR  36           HB       THR  36   1.726  -1.814   3.363
  289    HG1  THR  36           HG1      THR  36   4.080  -2.176   4.631
  290   1HG2  THR  36          HG21      THR  36   3.108  -4.441   2.795
  291   2HG2  THR  36          HG22      THR  36   1.800  -3.740   1.841
  292   3HG2  THR  36          HG23      THR  36   1.504  -4.249   3.504
  293    H    PHE  37           HN       PHE  37   4.403  -2.419   0.043
  294    HA   PHE  37           HA       PHE  37   2.350  -0.908  -1.375
  295   1HB   PHE  37          HB2       PHE  37   4.657  -2.582  -2.393
  296   2HB   PHE  37          HB3       PHE  37   3.526  -1.720  -3.425
  297    HD1  PHE  37           HD1      PHE  37   6.242  -1.363  -0.988
  298    HD2  PHE  37           HD2      PHE  37   3.716   0.646  -3.772
  299    HE1  PHE  37           HE1      PHE  37   7.693   0.616  -0.884
  300    HE2  PHE  37           HE2      PHE  37   5.172   2.615  -3.673
  301    HZ   PHE  37           HZ       PHE  37   7.163   2.598  -2.233
  302    H    ILE  38           HN       ILE  38   0.997  -1.909  -2.947
  303    HA   ILE  38           HA       ILE  38   0.344  -4.706  -2.290
  304    HB   ILE  38           HB       ILE  38  -1.544  -2.557  -3.275
  305   1HG1  ILE  38          HG12      ILE  38  -1.372  -3.686  -0.478
  306   2HG1  ILE  38          HG13      ILE  38  -0.597  -2.179  -0.952
  307   1HG2  ILE  38          HG21      ILE  38  -2.065  -5.320  -2.182
  308   2HG2  ILE  38          HG22      ILE  38  -3.298  -4.146  -2.641
  309   3HG2  ILE  38          HG23      ILE  38  -2.223  -4.821  -3.866
  310   1HD1  ILE  38          HD11      ILE  38  -2.778  -1.252  -1.535
  311   2HD1  ILE  38          HD12      ILE  38  -3.547  -2.760  -1.041
  312   3HD1  ILE  38          HD13      ILE  38  -2.709  -1.764   0.149
  313    H    TYR  39           HN       TYR  39   0.933  -6.006  -3.924
  314    HA   TYR  39           HA       TYR  39   1.078  -5.087  -6.644
  315   1HB   TYR  39          HB2       TYR  39   2.611  -6.838  -5.956
  316   2HB   TYR  39          HB3       TYR  39   1.274  -7.868  -5.459
  317    HD1  TYR  39           HD1      TYR  39   2.609  -6.136  -8.488
  318    HD2  TYR  39           HD2      TYR  39   0.503  -9.489  -6.938
  319    HE1  TYR  39           HE1      TYR  39   2.577  -7.141 -10.731
  320    HE2  TYR  39           HE2      TYR  39   0.464 -10.506  -9.178
  321    HH   TYR  39           HH       TYR  39   0.583  -9.668 -11.585
  322    H    SER  40           HN       SER  40  -0.972  -4.260  -6.831
  323    HA   SER  40           HA       SER  40  -2.918  -5.999  -7.963
  324   1HB   SER  40          HB2       SER  40  -3.539  -4.679  -5.297
  325   2HB   SER  40          HB3       SER  40  -4.768  -5.331  -6.375
  326    HG   SER  40           HG       SER  40  -2.730  -7.083  -5.818
  327    H    ARG  41           HN       ARG  41  -4.321  -4.798  -9.248
  328    HA   ARG  41           HA       ARG  41  -3.490  -2.146  -9.827
  329   1HB   ARG  41          HB2       ARG  41  -5.758  -3.858 -10.792
  330   2HB   ARG  41          HB3       ARG  41  -5.636  -2.174 -11.262
  331   1HG   ARG  41          HG2       ARG  41  -3.460  -4.207 -11.710
  332   2HG   ARG  41          HG3       ARG  41  -4.667  -3.752 -12.916
  333   1HD   ARG  41          HD2       ARG  41  -3.907  -1.488 -12.921
  334   2HD   ARG  41          HD3       ARG  41  -2.839  -1.786 -11.553
  335    HE   ARG  41           HE       ARG  41  -1.946  -3.499 -13.468
  336   1HH1  ARG  41          HH12      ARG  41  -2.635  -0.069 -13.440
  337   2HH1  ARG  41          HH11      ARG  41  -1.295   0.343 -14.477
  338   1HH2  ARG  41          HH22      ARG  41  -0.195  -2.986 -14.853
  339   2HH2  ARG  41          HH21      ARG  41   0.087  -1.325 -15.305
  340    HA   PRO  42           HA       PRO  42  -5.862   0.448  -7.207
  341   1HB   PRO  42          HB2       PRO  42  -6.996   2.173  -9.059
  342   2HB   PRO  42          HB3       PRO  42  -5.359   2.316  -8.417
  343   1HG   PRO  42          HG2       PRO  42  -6.295   1.129 -10.988
  344   2HG   PRO  42          HG3       PRO  42  -4.874   2.124 -10.672
  345   1HD   PRO  42          HD2       PRO  42  -4.676  -0.523 -10.986
  346   2HD   PRO  42          HD3       PRO  42  -3.669   0.346  -9.802
  347    H    GLU  43           HN       GLU  43  -7.485  -1.088  -9.914
  348    HA   GLU  43           HA       GLU  43 -10.124  -0.381  -9.154
  349   1HB   GLU  43          HB2       GLU  43  -9.030  -2.568 -10.903
  350   2HB   GLU  43          HB3       GLU  43 -10.743  -2.337 -10.641
  351   1HG   GLU  43          HG2       GLU  43 -10.566  -0.076 -11.573
  352   2HG   GLU  43          HG3       GLU  43  -8.847  -0.352 -11.861
  353    HA   PRO  44           HA       PRO  44 -10.457  -4.812  -7.229
  354   1HB   PRO  44          HB2       PRO  44  -8.082  -6.085  -6.691
  355   2HB   PRO  44          HB3       PRO  44  -9.060  -6.369  -8.129
  356   1HG   PRO  44          HG2       PRO  44  -6.633  -4.665  -7.786
  357   2HG   PRO  44          HG3       PRO  44  -7.082  -5.721  -9.138
  358   1HD   PRO  44          HD2       PRO  44  -7.394  -3.047  -9.255
  359   2HD   PRO  44          HD3       PRO  44  -8.518  -4.157 -10.039
  360    H    VAL  45           HN       VAL  45  -7.964  -2.542  -6.390
  361    HA   VAL  45           HA       VAL  45  -8.069  -3.243  -3.569
  362    HB   VAL  45           HB       VAL  45  -6.590  -1.006  -4.971
  363   1HG1  VAL  45          HG11      VAL  45  -5.351  -0.777  -2.850
  364   2HG1  VAL  45          HG12      VAL  45  -7.058  -0.372  -2.683
  365   3HG1  VAL  45          HG13      VAL  45  -6.458  -1.925  -2.101
  366   1HG2  VAL  45          HG21      VAL  45  -4.602  -2.373  -4.533
  367   2HG2  VAL  45          HG22      VAL  45  -5.630  -3.639  -3.857
  368   3HG2  VAL  45          HG23      VAL  45  -5.764  -3.210  -5.563
  369    H    LYS  46           HN       LYS  46  -9.220  -0.708  -5.740
  370    HA   LYS  46           HA       LYS  46 -10.388   0.905  -3.706
  371   1HB   LYS  46          HB2       LYS  46  -9.877   1.578  -6.116
  372   2HB   LYS  46          HB3       LYS  46 -11.332   0.702  -6.565
  373   1HG   LYS  46          HG2       LYS  46 -12.664   2.171  -5.142
  374   2HG   LYS  46          HG3       LYS  46 -11.203   3.046  -4.680
  375   1HD   LYS  46          HD2       LYS  46 -10.843   3.614  -7.062
  376   2HD   LYS  46          HD3       LYS  46 -12.372   2.826  -7.451
  377   1HE   LYS  46          HE2       LYS  46 -13.509   4.398  -5.911
  378   2HE   LYS  46          HE3       LYS  46 -11.977   5.230  -5.675
  379   1HZ   LYS  46          HZ1       LYS  46 -13.332   4.900  -8.299
  380   2HZ   LYS  46          HZ2       LYS  46 -11.928   5.800  -7.998
  381   3HZ   LYS  46          HZ3       LYS  46 -13.412   6.299  -7.341
  382    H    ALA  47           HN       ALA  47 -11.381  -1.882  -5.528
  383    HA   ALA  47           HA       ALA  47 -14.139  -1.832  -4.997
  384   1HB   ALA  47          HB1       ALA  47 -12.373  -4.225  -5.502
  385   2HB   ALA  47          HB2       ALA  47 -14.130  -4.179  -5.641
  386   3HB   ALA  47          HB3       ALA  47 -13.134  -3.226  -6.740
  387    H    ILE  48           HN       ILE  48 -11.495  -2.510  -2.935
  388    HA   ILE  48           HA       ILE  48 -12.794  -4.200  -1.064
  389    HB   ILE  48           HB       ILE  48 -10.560  -2.220  -0.530
  390   1HG1  ILE  48          HG12      ILE  48 -10.411  -5.154  -1.268
  391   2HG1  ILE  48          HG13      ILE  48 -10.080  -3.829  -2.379
  392   1HG2  ILE  48          HG21      ILE  48 -10.022  -3.715   1.340
  393   2HG2  ILE  48          HG22      ILE  48 -11.638  -3.025   1.499
  394   3HG2  ILE  48          HG23      ILE  48 -11.441  -4.692   0.960
  395   1HD1  ILE  48          HD11      ILE  48  -8.035  -4.802  -1.517
  396   2HD1  ILE  48          HD12      ILE  48  -8.209  -3.130  -0.987
  397   3HD1  ILE  48          HD13      ILE  48  -8.551  -4.448   0.133
  398    H    CYS  49           HN       CYS  49 -12.681  -0.753  -1.599
  399    HA   CYS  49           HA       CYS  49 -14.231  -0.255   0.831
  400   1HB   CYS  49          HB2       CYS  49 -12.849   1.626  -1.091
  401   2HB   CYS  49          HB3       CYS  49 -13.681   2.115   0.380
  402    H    LYS  50           HN       LYS  50 -15.051  -1.305  -2.004
  403    HA   LYS  50           HA       LYS  50 -16.772   0.581  -3.173
  404   1HB   LYS  50          HB2       LYS  50 -16.013  -1.460  -4.322
  405   2HB   LYS  50          HB3       LYS  50 -16.971  -2.437  -3.217
  406   1HG   LYS  50          HG2       LYS  50 -19.010  -1.393  -4.059
  407   2HG   LYS  50          HG3       LYS  50 -18.052  -0.409  -5.166
  408   1HD   LYS  50          HD2       LYS  50 -18.943  -2.283  -6.378
  409   2HD   LYS  50          HD3       LYS  50 -17.201  -2.505  -6.199
  410   1HE   LYS  50          HE2       LYS  50 -18.265  -4.606  -5.772
  411   2HE   LYS  50          HE3       LYS  50 -17.658  -3.978  -4.242
  412   1HZ   LYS  50          HZ1       LYS  50 -19.906  -4.916  -4.071
  413   2HZ   LYS  50          HZ2       LYS  50 -20.477  -3.757  -5.166
  414   3HZ   LYS  50          HZ3       LYS  50 -19.874  -3.272  -3.657
  415    H    GLY  51           HN       GLY  51 -18.379   1.553  -2.156
  416   1HA   GLY  51          HA1       GLY  51 -20.645   1.503  -1.468
  417   2HA   GLY  51          HA2       GLY  51 -20.397  -0.126  -0.858
  418    H    ILE  52           HN       ILE  52 -17.760   1.546   0.133
  419    HA   ILE  52           HA       ILE  52 -18.991   2.049   2.753
  420    HB   ILE  52           HB       ILE  52 -16.035   2.006   2.152
  421   1HG1  ILE  52          HG12      ILE  52 -16.936  -0.161   1.472
  422   2HG1  ILE  52          HG13      ILE  52 -16.011  -0.328   2.958
  423   1HG2  ILE  52          HG21      ILE  52 -16.701   3.067   4.238
  424   2HG2  ILE  52          HG22      ILE  52 -17.597   1.620   4.705
  425   3HG2  ILE  52          HG23      ILE  52 -15.840   1.559   4.550
  426   1HD1  ILE  52          HD11      ILE  52 -18.016  -1.664   3.043
  427   2HD1  ILE  52          HD12      ILE  52 -18.097  -0.370   4.237
  428   3HD1  ILE  52          HD13      ILE  52 -19.007  -0.239   2.733
  429    H    ILE  53           HN       ILE  53 -19.874   4.077   2.420
  430    HA   ILE  53           HA       ILE  53 -18.274   6.208   1.333
  431    HB   ILE  53           HB       ILE  53 -21.080   6.074   2.417
  432   1HG1  ILE  53          HG12      ILE  53 -21.646   6.748   0.113
  433   2HG1  ILE  53          HG13      ILE  53 -19.944   6.740  -0.312
  434   1HG2  ILE  53          HG21      ILE  53 -19.651   8.549   1.452
  435   2HG2  ILE  53          HG22      ILE  53 -21.360   8.432   1.870
  436   3HG2  ILE  53          HG23      ILE  53 -20.131   8.216   3.116
  437   1HD1  ILE  53          HD11      ILE  53 -19.891   4.322   0.177
  438   2HD1  ILE  53          HD12      ILE  53 -21.629   4.378   0.475
  439   3HD1  ILE  53          HD13      ILE  53 -20.998   4.751  -1.130
  440    H    ALA  54           HN       ALA  54 -19.784   5.508   4.486
  441    HA   ALA  54           HA       ALA  54 -18.539   7.645   5.850
  442   1HB   ALA  54          HB1       ALA  54 -19.561   5.033   6.957
  443   2HB   ALA  54          HB2       ALA  54 -19.167   6.475   7.894
  444   3HB   ALA  54          HB3       ALA  54 -20.504   6.509   6.744
  445    H    SER  55           HN       SER  55 -16.601   7.848   6.755
  446    HA   SER  55           HA       SER  55 -14.413   6.323   5.976
  447   1HB   SER  55          HB2       SER  55 -14.480   8.690   6.965
  448   2HB   SER  55          HB3       SER  55 -14.505   7.909   8.544
  449    HG   SER  55           HG       SER  55 -12.442   8.249   6.772
  450    H    LYS  56           HN       LYS  56 -14.244   4.201   6.377
  451    HA   LYS  56           HA       LYS  56 -14.498   3.273   9.147
  452   1HB   LYS  56          HB2       LYS  56 -16.662   2.901   7.993
  453   2HB   LYS  56          HB3       LYS  56 -15.831   1.945   6.778
  454   1HG   LYS  56          HG2       LYS  56 -15.236   0.287   8.438
  455   2HG   LYS  56          HG3       LYS  56 -15.969   1.268   9.709
  456   1HD   LYS  56          HD2       LYS  56 -18.147   1.076   8.546
  457   2HD   LYS  56          HD3       LYS  56 -17.390   0.009   7.362
  458   1HE   LYS  56          HE2       LYS  56 -18.596  -1.249   9.080
  459   2HE   LYS  56          HE3       LYS  56 -16.867  -1.595   9.113
  460   1HZ   LYS  56          HZ1       LYS  56 -18.017   0.468  10.881
  461   2HZ   LYS  56          HZ2       LYS  56 -16.586  -0.415  11.070
  462   3HZ   LYS  56          HZ3       LYS  56 -18.085  -1.167  11.314
  463    H    ASN  57           HN       ASN  57 -12.935   1.926   9.723
  464    HA   ASN  57           HA       ASN  57 -10.915   1.103   7.848
  465   1HB   ASN  57          HB2       ASN  57 -11.346   0.666  10.800
  466   2HB   ASN  57          HB3       ASN  57 -10.053  -0.153   9.936
  467   1HD2  ASN  57          HD21      ASN  57  -8.550   0.892  11.252
  468   2HD2  ASN  57          HD22      ASN  57  -8.120   2.546  10.996
  469    H    VAL  58           HN       VAL  58 -11.256  -0.590   6.514
  470    HA   VAL  58           HA       VAL  58 -12.830  -2.842   7.585
  471    HB   VAL  58           HB       VAL  58 -13.641  -3.351   5.409
  472   1HG1  VAL  58          HG11      VAL  58 -13.837  -0.386   5.881
  473   2HG1  VAL  58          HG12      VAL  58 -14.897  -1.323   4.825
  474   3HG1  VAL  58          HG13      VAL  58 -14.881  -1.633   6.562
  475   1HG2  VAL  58          HG21      VAL  58 -13.038  -2.143   3.395
  476   2HG2  VAL  58          HG22      VAL  58 -11.921  -1.137   4.316
  477   3HG2  VAL  58          HG23      VAL  58 -11.610  -2.864   4.138
  478    H    LEU  59           HN       LEU  59 -12.039  -4.860   7.435
  479    HA   LEU  59           HA       LEU  59  -9.273  -5.128   6.507
  480   1HB   LEU  59          HB2       LEU  59  -9.770  -5.588   8.887
  481   2HB   LEU  59          HB3       LEU  59 -10.896  -6.830   8.408
  482    HG   LEU  59           HG       LEU  59  -8.494  -7.434   9.234
  483   1HD1  LEU  59          HD11      LEU  59  -8.547  -9.474   7.905
  484   2HD1  LEU  59          HD12      LEU  59 -10.142  -9.050   8.527
  485   3HD1  LEU  59          HD13      LEU  59  -9.745  -8.742   6.836
  486   1HD2  LEU  59          HD21      LEU  59  -7.281  -6.040   7.665
  487   2HD2  LEU  59          HD22      LEU  59  -6.902  -7.746   7.412
  488   3HD2  LEU  59          HD23      LEU  59  -8.002  -6.914   6.312
  489    H    THR  60           HN       THR  60  -8.752  -6.593   4.938
  490    HA   THR  60           HA       THR  60 -10.851  -7.261   3.147
  491    HB   THR  60           HB       THR  60  -9.053  -8.336   1.788
  492    HG1  THR  60           HG1      THR  60  -7.269  -8.859   2.770
  493   1HG2  THR  60          HG21      THR  60  -9.570  -5.968   1.516
  494   2HG2  THR  60          HG22      THR  60  -7.843  -6.256   1.309
  495   3HG2  THR  60          HG23      THR  60  -8.448  -5.563   2.814
  496    H    THR  61           HN       THR  61 -11.487  -9.256   2.375
  497    HA   THR  61           HA       THR  61 -11.671 -11.288   4.411
  498    HB   THR  61           HB       THR  61 -13.113 -12.375   2.597
  499    HG1  THR  61           HG1      THR  61 -12.924 -11.421   0.718
  500   1HG2  THR  61          HG21      THR  61 -14.985 -10.831   3.036
  501   2HG2  THR  61          HG22      THR  61 -13.834  -9.637   3.648
  502   3HG2  THR  61          HG23      THR  61 -14.058 -11.170   4.500
  503    H    SER  62           HN       SER  62  -9.625 -10.627   1.872
  504    HA   SER  62           HA       SER  62  -8.633 -13.377   1.747
  505   1HB   SER  62          HB2       SER  62  -8.887 -11.643  -0.716
  506   2HB   SER  62          HB3       SER  62  -8.509 -13.362  -0.637
  507    HG   SER  62           HG       SER  62 -10.699 -13.571   0.323
  508    H    GLU  63           HN       GLU  63  -6.378 -13.488   0.982
  509    HA   GLU  63           HA       GLU  63  -4.873 -11.183   1.873
  510   1HB   GLU  63          HB2       GLU  63  -3.777 -13.778   0.770
  511   2HB   GLU  63          HB3       GLU  63  -2.905 -12.556   1.670
  512   1HG   GLU  63          HG2       GLU  63  -3.273 -14.284   3.181
  513   2HG   GLU  63          HG3       GLU  63  -4.455 -13.054   3.605
  514    H    PHE  64           HN       PHE  64  -3.426 -10.012   0.623
  515    HA   PHE  64           HA       PHE  64  -3.686 -10.386  -2.289
  516   1HB   PHE  64          HB2       PHE  64  -3.412  -7.851  -0.683
  517   2HB   PHE  64          HB3       PHE  64  -3.116  -7.907  -2.413
  518    HD1  PHE  64           HD1      PHE  64  -4.888  -7.707  -3.927
  519    HD2  PHE  64           HD2      PHE  64  -5.701  -8.559   0.160
  520    HE1  PHE  64           HE1      PHE  64  -7.291  -7.384  -4.341
  521    HE2  PHE  64           HE2      PHE  64  -8.103  -8.236  -0.245
  522    HZ   PHE  64           HZ       PHE  64  -8.889  -7.605  -2.532
  523    H    TYR  65           HN       TYR  65  -1.762  -9.498  -3.483
  524    HA   TYR  65           HA       TYR  65   0.591 -10.681  -2.296
  525   1HB   TYR  65          HB2       TYR  65   0.289  -9.327  -4.986
  526   2HB   TYR  65          HB3       TYR  65   1.604 -10.385  -4.479
  527    HD1  TYR  65           HD1      TYR  65  -1.437 -10.243  -6.234
  528    HD2  TYR  65           HD2      TYR  65   0.835 -12.785  -3.687
  529    HE1  TYR  65           HE1      TYR  65  -2.689 -12.190  -7.066
  530    HE2  TYR  65           HE2      TYR  65  -0.410 -14.735  -4.515
  531    HH   TYR  65           HH       TYR  65  -2.527 -14.546  -7.246
  532    H    LEU  66           HN       LEU  66   1.542  -9.451  -0.803
  533    HA   LEU  66           HA       LEU  66   1.581  -6.546  -1.206
  534   1HB   LEU  66          HB2       LEU  66   2.058  -8.137   1.311
  535   2HB   LEU  66          HB3       LEU  66   1.941  -6.391   1.194
  536    HG   LEU  66           HG       LEU  66  -0.295  -8.335   0.618
  537   1HD1  LEU  66          HD11      LEU  66   0.159  -6.470   2.937
  538   2HD1  LEU  66          HD12      LEU  66  -1.296  -7.427   2.657
  539   3HD1  LEU  66          HD13      LEU  66   0.240  -8.230   2.982
  540   1HD2  LEU  66          HD21      LEU  66  -0.270  -5.318   0.674
  541   2HD2  LEU  66          HD22      LEU  66  -0.480  -6.338  -0.750
  542   3HD2  LEU  66          HD23      LEU  66  -1.707  -6.329   0.514
  543    H    SER  67           HN       SER  67   3.469  -5.352  -0.859
  544    HA   SER  67           HA       SER  67   5.966  -6.901  -0.698
  545   1HB   SER  67          HB2       SER  67   5.561  -4.381  -2.328
  546   2HB   SER  67          HB3       SER  67   6.982  -5.425  -2.310
  547    HG   SER  67           HG       SER  67   6.028  -6.339  -3.949
  548    H    ASP  68           HN       ASP  68   6.858  -6.440   1.189
  549    HA   ASP  68           HA       ASP  68   6.249  -3.901   2.500
  550   1HB   ASP  68          HB2       ASP  68   5.926  -5.939   3.812
  551   2HB   ASP  68          HB3       ASP  68   7.607  -6.396   3.547
  552    H    CYS  69           HN       CYS  69   7.583  -2.277   2.120
  553    HA   CYS  69           HA       CYS  69  10.452  -2.861   1.884
  554   1HB   CYS  69          HB2       CYS  69   8.754  -0.570   0.928
  555   2HB   CYS  69          HB3       CYS  69  10.505  -0.423   1.033
  556    H    ASN  70           HN       ASN  70  11.629  -2.522   3.613
  557    HA   ASN  70           HA       ASN  70  10.827  -0.398   5.487
  558   1HB   ASN  70          HB2       ASN  70  11.629  -1.877   7.344
  559   2HB   ASN  70          HB3       ASN  70  10.195  -2.484   6.525
  560   1HD2  ASN  70          HD21      ASN  70  10.309  -4.365   5.328
  561   2HD2  ASN  70          HD22      ASN  70  11.690  -5.412   5.387
  562    H    VAL  71           HN       VAL  71  12.563   0.518   6.718
  563    HA   VAL  71           HA       VAL  71  14.917   0.822   5.097
  564    HB   VAL  71           HB       VAL  71  13.770   2.700   6.309
  565   1HG1  VAL  71          HG11      VAL  71  15.086   1.476   8.722
  566   2HG1  VAL  71          HG12      VAL  71  14.373   3.089   8.657
  567   3HG1  VAL  71          HG13      VAL  71  13.354   1.666   8.440
  568   1HG2  VAL  71          HG21      VAL  71  15.991   2.977   5.383
  569   2HG2  VAL  71          HG22      VAL  71  15.841   3.857   6.905
  570   3HG2  VAL  71          HG23      VAL  71  16.706   2.322   6.856
  571    H    THR  72           HN       THR  72  16.917   0.196   5.458
  572    HA   THR  72           HA       THR  72  17.239  -2.036   7.295
  573    HB   THR  72           HB       THR  72  19.358  -2.424   6.027
  574    HG1  THR  72           HG1      THR  72  18.420  -0.434   4.232
  575   1HG2  THR  72          HG21      THR  72  18.288  -3.156   3.951
  576   2HG2  THR  72          HG22      THR  72  16.886  -2.150   4.311
  577   3HG2  THR  72          HG23      THR  72  17.271  -3.525   5.344
  578    H    SER  73           HN       SER  73  20.163  -1.678   7.168
  579    HA   SER  73           HA       SER  73  20.411  -0.048   9.547
  580   1HB   SER  73          HB2       SER  73  22.462  -1.753   8.167
  581   2HB   SER  73          HB3       SER  73  22.602  -1.061   9.778
  582    HG   SER  73           HG       SER  73  21.820  -2.978  10.286
  583    H    ARG  74           HN       ARG  74  20.630   0.420   6.291
  584    HA   ARG  74           HA       ARG  74  22.537   2.624   6.611
  585   1HB   ARG  74          HB2       ARG  74  21.657   1.070   4.192
  586   2HB   ARG  74          HB3       ARG  74  22.436   2.641   4.040
  587   1HG   ARG  74          HG2       ARG  74  24.383   1.814   5.222
  588   2HG   ARG  74          HG3       ARG  74  23.605   0.243   5.426
  589   1HD   ARG  74          HD2       ARG  74  23.502   0.015   2.965
  590   2HD   ARG  74          HD3       ARG  74  24.373   1.540   2.812
  591    HE   ARG  74           HE       ARG  74  25.531  -0.801   4.187
  592   1HH1  ARG  74          HH12      ARG  74  25.741   1.795   1.846
  593   2HH1  ARG  74          HH11      ARG  74  27.409   1.482   1.459
  594   1HH2  ARG  74          HH22      ARG  74  27.702  -1.237   3.671
  595   2HH2  ARG  74          HH21      ARG  74  28.528  -0.238   2.508
  596    HA   PRO  75           HA       PRO  75  19.257   5.406   6.650
  597   1HB   PRO  75          HB2       PRO  75  20.429   7.641   5.665
  598   2HB   PRO  75          HB3       PRO  75  20.747   7.015   7.284
  599   1HG   PRO  75          HG2       PRO  75  22.399   6.804   4.815
  600   2HG   PRO  75          HG3       PRO  75  22.914   6.980   6.501
  601   1HD   PRO  75          HD2       PRO  75  22.939   4.609   5.103
  602   2HD   PRO  75          HD3       PRO  75  22.858   4.716   6.868
  603    H    CYS  76           HN       CYS  76  17.575   5.421   5.413
  604    HA   CYS  76           HA       CYS  76  16.179   5.522   3.634
  605   1HB   CYS  76          HB2       CYS  76  18.411   7.124   2.361
  606   2HB   CYS  76          HB3       CYS  76  16.751   7.036   1.778
  607    H    LYS  77           HN       LYS  77  18.249   3.366   3.885
  608    HA   LYS  77           HA       LYS  77  18.124   2.407   1.104
  609   1HB   LYS  77          HB2       LYS  77  20.366   2.320   2.059
  610   2HB   LYS  77          HB3       LYS  77  19.770   1.421   3.447
  611   1HG   LYS  77          HG2       LYS  77  20.915  -0.040   1.883
  612   2HG   LYS  77          HG3       LYS  77  19.206  -0.458   2.004
  613   1HD   LYS  77          HD2       LYS  77  19.902  -0.536  -0.312
  614   2HD   LYS  77          HD3       LYS  77  18.778   0.804  -0.075
  615   1HE   LYS  77          HE2       LYS  77  20.598   2.384  -0.046
  616   2HE   LYS  77          HE3       LYS  77  21.782   1.078  -0.106
  617   1HZ   LYS  77          HZ1       LYS  77  20.950   0.477  -2.293
  618   2HZ   LYS  77          HZ2       LYS  77  21.490   2.082  -2.274
  619   3HZ   LYS  77          HZ3       LYS  77  19.824   1.743  -2.249
  620    H    TYR  78           HN       TYR  78  16.794   0.706   0.610
  621    HA   TYR  78           HA       TYR  78  14.989  -0.035   2.813
  622   1HB   TYR  78          HB2       TYR  78  14.187  -0.030  -0.080
  623   2HB   TYR  78          HB3       TYR  78  13.180   0.172   1.355
  624    HD1  TYR  78           HD1      TYR  78  13.318   2.338   2.639
  625    HD2  TYR  78           HD2      TYR  78  15.136   1.820  -1.167
  626    HE1  TYR  78           HE1      TYR  78  13.473   4.779   2.385
  627    HE2  TYR  78           HE2      TYR  78  15.294   4.255  -1.437
  628    HH   TYR  78           HH       TYR  78  14.289   6.261  -0.603
  629    H    LYS  79           HN       LYS  79  14.097  -2.053   2.915
  630    HA   LYS  79           HA       LYS  79  15.387  -4.154   1.297
  631   1HB   LYS  79          HB2       LYS  79  15.724  -4.149   3.817
  632   2HB   LYS  79          HB3       LYS  79  14.007  -4.490   3.968
  633   1HG   LYS  79          HG2       LYS  79  14.416  -6.522   2.539
  634   2HG   LYS  79          HG3       LYS  79  16.138  -6.199   2.735
  635   1HD   LYS  79          HD2       LYS  79  15.699  -6.221   5.241
  636   2HD   LYS  79          HD3       LYS  79  14.122  -6.911   4.850
  637   1HE   LYS  79          HE2       LYS  79  16.828  -8.070   4.204
  638   2HE   LYS  79          HE3       LYS  79  15.660  -8.688   5.369
  639   1HZ   LYS  79          HZ1       LYS  79  14.142  -9.159   3.553
  640   2HZ   LYS  79          HZ2       LYS  79  15.622  -9.948   3.310
  641   3HZ   LYS  79          HZ3       LYS  79  15.255  -8.550   2.428
  642    H    LEU  80           HN       LEU  80  14.097  -5.399   0.032
  643    HA   LEU  80           HA       LEU  80  11.232  -4.795   0.035
  644   1HB   LEU  80          HB2       LEU  80  12.630  -4.646  -2.057
  645   2HB   LEU  80          HB3       LEU  80  12.817  -6.383  -1.981
  646    HG   LEU  80           HG       LEU  80  11.036  -5.340  -3.553
  647   1HD1  LEU  80          HD11      LEU  80   9.608  -7.286  -3.334
  648   2HD1  LEU  80          HD12      LEU  80  11.311  -7.730  -3.218
  649   3HD1  LEU  80          HD13      LEU  80  10.322  -7.643  -1.760
  650   1HD2  LEU  80          HD21      LEU  80   9.964  -3.924  -1.918
  651   2HD2  LEU  80          HD22      LEU  80   8.827  -5.122  -2.538
  652   3HD2  LEU  80          HD23      LEU  80   9.550  -5.334  -0.942
  653    H    LYS  81           HN       LYS  81   9.656  -6.378   0.180
  654    HA   LYS  81           HA       LYS  81  10.461  -9.098   0.873
  655   1HB   LYS  81          HB2       LYS  81  10.465  -8.053   3.030
  656   2HB   LYS  81          HB3       LYS  81   8.943  -7.239   2.705
  657   1HG   LYS  81          HG2       LYS  81   7.810  -9.427   2.688
  658   2HG   LYS  81          HG3       LYS  81   9.345 -10.199   3.091
  659   1HD   LYS  81          HD2       LYS  81   9.443  -9.092   5.196
  660   2HD   LYS  81          HD3       LYS  81   8.096  -8.037   4.775
  661   1HE   LYS  81          HE2       LYS  81   7.355  -9.765   6.300
  662   2HE   LYS  81          HE3       LYS  81   6.602  -9.984   4.724
  663   1HZ   LYS  81          HZ1       LYS  81   8.226 -11.714   4.232
  664   2HZ   LYS  81          HZ2       LYS  81   7.350 -12.081   5.637
  665   3HZ   LYS  81          HZ3       LYS  81   8.938 -11.500   5.758
  666    H    LYS  82           HN       LYS  82   9.310 -10.260  -0.546
  667    HA   LYS  82           HA       LYS  82   6.655  -9.436  -1.352
  668   1HB   LYS  82          HB2       LYS  82   8.089 -12.008  -1.999
  669   2HB   LYS  82          HB3       LYS  82   6.730 -11.300  -2.858
  670   1HG   LYS  82          HG2       LYS  82   8.274  -9.350  -3.377
  671   2HG   LYS  82          HG3       LYS  82   9.587 -10.397  -2.822
  672   1HD   LYS  82          HD2       LYS  82   8.844 -12.110  -4.439
  673   2HD   LYS  82          HD3       LYS  82   7.638 -10.975  -5.031
  674   1HE   LYS  82          HE2       LYS  82   9.429 -10.810  -6.541
  675   2HE   LYS  82          HE3       LYS  82   9.569  -9.397  -5.498
  676   1HZ   LYS  82          HZ1       LYS  82  11.081 -11.907  -5.050
  677   2HZ   LYS  82          HZ2       LYS  82  11.336 -10.405  -4.303
  678   3HZ   LYS  82          HZ3       LYS  82  11.688 -10.605  -5.949
  679    H    SER  83           HN       SER  83   4.890  -9.957  -0.221
  680    HA   SER  83           HA       SER  83   4.770 -12.595   1.055
  681   1HB   SER  83          HB2       SER  83   3.995 -10.008   2.436
  682   2HB   SER  83          HB3       SER  83   3.807 -11.632   3.100
  683    HG   SER  83           HG       SER  83   6.216 -11.725   2.649
  684    H    THR  84           HN       THR  84   2.498 -13.132   1.727
  685    HA   THR  84           HA       THR  84   0.469 -11.604   0.235
  686    HB   THR  84           HB       THR  84   0.331 -14.605   0.560
  687    HG1  THR  84           HG1      THR  84   2.166 -13.785  -0.801
  688   1HG2  THR  84          HG21      THR  84  -1.796 -13.518   0.148
  689   2HG2  THR  84          HG22      THR  84  -1.294 -14.408  -1.291
  690   3HG2  THR  84          HG23      THR  84  -1.116 -12.655  -1.232
  691    H    ASN  85           HN       ASN  85  -0.846 -10.725   1.677
  692    HA   ASN  85           HA       ASN  85  -1.906 -12.269   3.880
  693   1HB   ASN  85          HB2       ASN  85   0.333 -11.024   4.563
  694   2HB   ASN  85          HB3       ASN  85  -0.744  -9.645   4.628
  695   1HD2  ASN  85          HD21      ASN  85   0.687 -10.830   6.794
  696   2HD2  ASN  85          HD22      ASN  85  -0.496 -11.346   7.953
  697    H    LYS  86           HN       LYS  86  -3.715 -11.109   4.925
  698    HA   LYS  86           HA       LYS  86  -5.176  -9.416   3.152
  699   1HB   LYS  86          HB2       LYS  86  -5.594  -9.944   6.098
  700   2HB   LYS  86          HB3       LYS  86  -6.764  -9.227   5.005
  701   1HG   LYS  86          HG2       LYS  86  -6.902 -11.317   3.761
  702   2HG   LYS  86          HG3       LYS  86  -5.714 -12.047   4.846
  703   1HD   LYS  86          HD2       LYS  86  -7.177 -11.805   6.707
  704   2HD   LYS  86          HD3       LYS  86  -8.302 -10.850   5.765
  705   1HE   LYS  86          HE2       LYS  86  -9.216 -13.029   5.968
  706   2HE   LYS  86          HE3       LYS  86  -8.634 -12.845   4.318
  707   1HZ   LYS  86          HZ1       LYS  86  -6.827 -14.227   4.711
  708   2HZ   LYS  86          HZ2       LYS  86  -8.108 -14.997   5.514
  709   3HZ   LYS  86          HZ3       LYS  86  -6.967 -14.109   6.402
  710    H    PHE  87           HN       PHE  87  -6.048  -7.257   4.143
  711    HA   PHE  87           HA       PHE  87  -4.301  -5.946   5.995
  712   1HB   PHE  87          HB2       PHE  87  -3.609  -4.105   4.506
  713   2HB   PHE  87          HB3       PHE  87  -2.932  -5.654   4.024
  714    HD1  PHE  87           HD1      PHE  87  -3.554  -6.684   1.940
  715    HD2  PHE  87           HD2      PHE  87  -5.291  -2.997   3.153
  716    HE1  PHE  87           HE1      PHE  87  -4.384  -6.320  -0.344
  717    HE2  PHE  87           HE2      PHE  87  -6.127  -2.634   0.870
  718    HZ   PHE  87           HZ       PHE  87  -5.668  -4.300  -0.889
  719    H    CYS  88           HN       CYS  88  -5.130  -4.058   6.831
  720    HA   CYS  88           HA       CYS  88  -7.966  -3.657   6.213
  721   1HB   CYS  88          HB2       CYS  88  -7.250  -4.185   8.565
  722   2HB   CYS  88          HB3       CYS  88  -6.392  -2.648   8.593
  723    H    VAL  89           HN       VAL  89  -8.634  -1.839   5.270
  724    HA   VAL  89           HA       VAL  89  -6.750   0.417   5.138
  725    HB   VAL  89           HB       VAL  89  -7.864   0.987   2.923
  726   1HG1  VAL  89          HG11      VAL  89  -5.600   0.137   3.032
  727   2HG1  VAL  89          HG12      VAL  89  -6.197  -1.521   3.104
  728   3HG1  VAL  89          HG13      VAL  89  -6.437  -0.558   1.645
  729   1HG2  VAL  89          HG21      VAL  89  -8.881  -0.862   1.668
  730   2HG2  VAL  89          HG22      VAL  89  -8.750  -1.898   3.092
  731   3HG2  VAL  89          HG23      VAL  89  -9.808  -0.487   3.121
  732    H    THR  90           HN       THR  90  -7.579   2.447   5.455
  733    HA   THR  90           HA       THR  90 -10.185   2.582   6.659
  734    HB   THR  90           HB       THR  90  -8.283   4.833   5.962
  735    HG1  THR  90           HG1      THR  90  -8.704   3.543   8.473
  736   1HG2  THR  90          HG21      THR  90 -10.657   4.758   7.831
  737   2HG2  THR  90          HG22      THR  90 -10.574   5.616   6.293
  738   3HG2  THR  90          HG23      THR  90  -9.549   6.114   7.639
  739    H    CYS  91           HN       CYS  91 -11.897   2.479   5.315
  740    HA   CYS  91           HA       CYS  91 -11.678   3.575   2.625
  741   1HB   CYS  91          HB2       CYS  91 -13.874   1.984   3.957
  742   2HB   CYS  91          HB3       CYS  91 -13.841   2.447   2.258
  743    H    GLU  92           HN       GLU  92 -12.519   5.434   1.995
  744    HA   GLU  92           HA       GLU  92 -14.692   6.636   3.543
  745   1HB   GLU  92          HB2       GLU  92 -12.421   7.510   4.300
  746   2HB   GLU  92          HB3       GLU  92 -12.259   8.211   2.702
  747   1HG   GLU  92          HG2       GLU  92 -14.154   9.626   3.061
  748   2HG   GLU  92          HG3       GLU  92 -14.504   8.835   4.599
  749    H    ASN  93           HN       ASN  93 -16.257   7.123   2.171
  750    HA   ASN  93           HA       ASN  93 -17.412   7.612   0.295
  751   1HB   ASN  93          HB2       ASN  93 -14.908   9.196  -0.307
  752   2HB   ASN  93          HB3       ASN  93 -16.376   9.283  -1.279
  753   1HD2  ASN  93          HD21      ASN  93 -15.069  11.385   0.241
  754   2HD2  ASN  93          HD22      ASN  93 -16.241  11.948   1.383
  755    H    GLN  94           HN       GLN  94 -16.221   5.175   0.340
  756    HA   GLN  94           HA       GLN  94 -16.082   3.357  -0.984
  757   1HB   GLN  94          HB2       GLN  94 -16.678   5.296  -3.213
  758   2HB   GLN  94          HB3       GLN  94 -16.624   3.547  -3.399
  759   1HG   GLN  94          HG2       GLN  94 -18.425   3.377  -1.696
  760   2HG   GLN  94          HG3       GLN  94 -18.536   5.136  -1.708
  761   1HE2  GLN  94          HE21      GLN  94 -17.842   3.276  -4.563
  762   2HE2  GLN  94          HE22      GLN  94 -19.358   3.562  -5.351
  763    H    ALA  95           HN       ALA  95 -13.767   5.377  -0.615
  764    HA   ALA  95           HA       ALA  95 -11.983   3.878  -2.389
  765   1HB   ALA  95          HB1       ALA  95 -10.707   5.898  -2.895
  766   2HB   ALA  95          HB2       ALA  95 -12.377   6.043  -3.443
  767   3HB   ALA  95          HB3       ALA  95 -11.859   6.861  -1.971
  768    HA   PRO  96           HA       PRO  96  -9.553   3.349   1.335
  769   1HB   PRO  96          HB2       PRO  96  -7.362   2.961  -0.607
  770   2HB   PRO  96          HB3       PRO  96  -7.938   1.883   0.666
  771   1HG   PRO  96          HG2       PRO  96  -8.410   1.396  -1.938
  772   2HG   PRO  96          HG3       PRO  96  -9.569   0.959  -0.674
  773   1HD   PRO  96          HD2       PRO  96  -9.651   3.210  -2.609
  774   2HD   PRO  96          HD3       PRO  96 -10.979   2.259  -1.927
  775    H    VAL  97           HN       VAL  97  -9.065   5.212   2.364
  776    HA   VAL  97           HA       VAL  97  -7.485   7.220   0.912
  777    HB   VAL  97           HB       VAL  97  -8.265   8.852   2.588
  778   1HG1  VAL  97          HG11      VAL  97 -10.448   7.309   1.191
  779   2HG1  VAL  97          HG12      VAL  97 -10.629   8.927   1.868
  780   3HG1  VAL  97          HG13      VAL  97  -9.511   8.650   0.530
  781   1HG2  VAL  97          HG21      VAL  97  -9.944   6.572   3.619
  782   2HG2  VAL  97          HG22      VAL  97  -8.596   7.335   4.462
  783   3HG2  VAL  97          HG23      VAL  97 -10.062   8.256   4.133
  784    H    HIS  98           HN       HIS  98  -7.491   5.180   3.722
  785    HA   HIS  98           HA       HIS  98  -4.752   6.067   4.308
  786   1HB   HIS  98          HB2       HIS  98  -6.996   5.692   6.284
  787   2HB   HIS  98          HB3       HIS  98  -5.316   5.527   6.769
  788    HD1  HIS  98           HD1      HIS  98  -4.375   7.584   7.727
  789    HD2  HIS  98           HD2      HIS  98  -7.385   8.405   4.977
  790    HE1  HIS  98           HE1      HIS  98  -4.656  10.084   7.747
  791    HE2  HIS  98           HE2      HIS  98  -6.630  10.521   6.251
  792    H    PHE  99           HN       PHE  99  -3.353   4.456   5.002
  793    HA   PHE  99           HA       PHE  99  -4.385   1.722   4.682
  794   1HB   PHE  99          HB2       PHE  99  -2.457   2.430   3.241
  795   2HB   PHE  99          HB3       PHE  99  -1.500   2.640   4.705
  796    HD1  PHE  99           HD1      PHE  99  -0.283   0.857   5.553
  797    HD2  PHE  99           HD2      PHE  99  -3.497   0.102   2.868
  798    HE1  PHE  99           HE1      PHE  99   0.340  -1.523   5.483
  799    HE2  PHE  99           HE2      PHE  99  -2.883  -2.277   2.792
  800    HZ   PHE  99           HZ       PHE  99  -0.960  -3.093   4.099
  801    H    VAL 100           HN       VAL 100  -4.684   0.545   6.449
  802    HA   VAL 100           HA       VAL 100  -3.815   1.590   9.009
  803    HB   VAL 100           HB       VAL 100  -5.437  -0.887   8.385
  804   1HG1  VAL 100          HG11      VAL 100  -5.005   0.595  10.972
  805   2HG1  VAL 100          HG12      VAL 100  -6.146  -0.729  10.734
  806   3HG1  VAL 100          HG13      VAL 100  -4.415  -1.018  10.565
  807   1HG2  VAL 100          HG21      VAL 100  -6.586   1.096   7.572
  808   2HG2  VAL 100          HG22      VAL 100  -7.396   0.482   9.013
  809   3HG2  VAL 100          HG23      VAL 100  -6.349   1.897   9.124
  810    H    GLY 101           HN       GLY 101  -3.813  -1.735   7.746
  811   1HA   GLY 101          HA1       GLY 101  -1.050  -2.156   7.758
  812   2HA   GLY 101          HA2       GLY 101  -1.655  -2.598   9.349
  813    H    VAL 102           HN       VAL 102  -0.490  -4.521   7.834
  814    HA   VAL 102           HA       VAL 102  -2.540  -5.890   6.331
  815    HB   VAL 102           HB       VAL 102  -0.952  -7.352   5.575
  816   1HG1  VAL 102          HG11      VAL 102  -0.437  -5.138   4.781
  817   2HG1  VAL 102          HG12      VAL 102   0.601  -4.852   6.180
  818   3HG1  VAL 102          HG13      VAL 102   1.047  -6.071   4.984
  819   1HG2  VAL 102          HG21      VAL 102  -0.218  -8.103   7.822
  820   2HG2  VAL 102          HG22      VAL 102   1.083  -7.992   6.636
  821   3HG2  VAL 102          HG23      VAL 102   0.898  -6.736   7.863
  822    H    GLY 103           HN       GLY 103  -3.174  -8.067   6.753
  823   1HA   GLY 103          HA1       GLY 103  -3.511  -9.925   8.156
  824   2HA   GLY 103          HA2       GLY 103  -2.813  -9.023   9.493
  825    H    SER 104           HN       SER 104  -4.132  -7.090  10.185
  826    HA   SER 104           HA       SER 104  -6.978  -7.230   9.776
  827   1HB   SER 104          HB2       SER 104  -7.440  -7.621  12.198
  828   2HB   SER 104          HB3       SER 104  -6.728  -9.021  11.400
  829    HG   SER 104           HG       SER 104  -5.835  -7.658  13.525
  830    H    CYS 105           HN       CYS 105  -8.049  -5.643  11.414
  831    HA   CYS 105           HA       CYS 105  -6.394  -3.237  11.559
  832   1HB   CYS 105          HB2       CYS 105  -9.201  -3.739  11.190
  833   2HB   CYS 105          HB3       CYS 105  -8.938  -2.688  12.574
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1  -4.973  16.928   1.911
    2   2H    MET   1           H2       MET   1  -3.686  16.618   2.969
    3   3H    MET   1           H3       MET   1  -5.058  17.440   3.525
    4    HA   MET   1           HA       MET   1  -5.023  15.144   4.275
    5   1HB   MET   1          HB2       MET   1  -7.279  14.548   3.607
    6   2HB   MET   1          HB3       MET   1  -7.192  16.285   3.860
    7   1HG   MET   1          HG2       MET   1  -7.057  16.646   1.457
    8   2HG   MET   1          HG3       MET   1  -7.096  14.906   1.185
    9   1HE   MET   1          HE1       MET   1 -10.708  13.991   2.422
   10   2HE   MET   1          HE2       MET   1  -9.236  13.376   1.667
   11   3HE   MET   1          HE3       MET   1  -9.202  13.944   3.337
   12    H    GLN   2           HN       GLN   2  -4.994  12.934   3.787
   13    HA   GLN   2           HA       GLN   2  -3.839  12.302   1.182
   14   1HB   GLN   2          HB2       GLN   2  -4.345  10.400   3.475
   15   2HB   GLN   2          HB3       GLN   2  -3.253  10.175   2.114
   16   1HG   GLN   2          HG2       GLN   2  -1.924  12.109   2.960
   17   2HG   GLN   2          HG3       GLN   2  -2.955  12.113   4.391
   18   1HE2  GLN   2          HE21      GLN   2  -0.361  10.584   2.740
   19   2HE2  GLN   2          HE22      GLN   2   0.043   9.447   3.982
   20    H    ASP   3           HN       ASP   3  -4.815  10.908  -0.290
   21    HA   ASP   3           HA       ASP   3  -7.609  10.197   0.226
   22   1HB   ASP   3          HB2       ASP   3  -8.436  11.329  -1.682
   23   2HB   ASP   3          HB3       ASP   3  -7.399  12.500  -0.875
   24    H    TRP   4           HN       TRP   4  -8.354   9.278  -2.199
   25    HA   TRP   4           HA       TRP   4  -7.176   6.744  -2.286
   26   1HB   TRP   4          HB2       TRP   4  -9.437   7.011  -3.003
   27   2HB   TRP   4          HB3       TRP   4  -8.984   8.193  -4.224
   28    HD1  TRP   4           HD1      TRP   4  -9.190   7.193  -6.551
   29    HE1  TRP   4           HE1      TRP   4  -8.762   4.896  -7.636
   30    HE3  TRP   4           HE3      TRP   4  -7.709   4.600  -2.408
   31    HZ2  TRP   4           HZ2      TRP   4  -7.894   2.338  -6.837
   32    HZ3  TRP   4           HZ3      TRP   4  -7.101   2.234  -2.645
   33    HH2  TRP   4           HH2      TRP   4  -7.186   1.125  -4.821
   34    H    LEU   5           HN       LEU   5  -6.650   9.593  -4.339
   35    HA   LEU   5           HA       LEU   5  -4.981   8.263  -6.215
   36   1HB   LEU   5          HB2       LEU   5  -5.398  11.159  -5.522
   37   2HB   LEU   5          HB3       LEU   5  -4.233  10.659  -6.732
   38    HG   LEU   5           HG       LEU   5  -6.307  11.370  -7.770
   39   1HD1  LEU   5          HD11      LEU   5  -5.044   9.669  -8.910
   40   2HD1  LEU   5          HD12      LEU   5  -5.838   8.403  -7.971
   41   3HD1  LEU   5          HD13      LEU   5  -6.769   9.365  -9.119
   42   1HD2  LEU   5          HD21      LEU   5  -7.867  10.869  -5.971
   43   2HD2  LEU   5          HD22      LEU   5  -8.385  10.117  -7.482
   44   3HD2  LEU   5          HD23      LEU   5  -7.621   9.142  -6.226
   45    H    THR   6           HN       THR   6  -4.369  10.086  -3.269
   46    HA   THR   6           HA       THR   6  -1.533   9.974  -3.415
   47    HB   THR   6           HB       THR   6  -3.271  10.222  -0.947
   48    HG1  THR   6           HG1      THR   6  -3.842  11.897  -2.299
   49   1HG2  THR   6          HG21      THR   6  -0.929   9.747  -0.439
   50   2HG2  THR   6          HG22      THR   6  -1.337  11.408  -0.007
   51   3HG2  THR   6          HG23      THR   6  -0.421  11.080  -1.479
   52    H    PHE   7           HN       PHE   7  -4.028   7.930  -2.049
   53    HA   PHE   7           HA       PHE   7  -2.452   6.083  -0.653
   54   1HB   PHE   7          HB2       PHE   7  -4.933   6.301  -0.512
   55   2HB   PHE   7          HB3       PHE   7  -5.059   5.594  -2.116
   56    HD1  PHE   7           HD1      PHE   7  -4.746   4.958   1.404
   57    HD2  PHE   7           HD2      PHE   7  -4.289   3.240  -2.465
   58    HE1  PHE   7           HE1      PHE   7  -4.804   2.706   2.401
   59    HE2  PHE   7           HE2      PHE   7  -4.360   0.986  -1.475
   60    HZ   PHE   7           HZ       PHE   7  -4.646   0.730   0.985
   61    H    GLN   8           HN       GLN   8  -3.575   6.145  -4.004
   62    HA   GLN   8           HA       GLN   8  -2.720   3.705  -4.926
   63   1HB   GLN   8          HB2       GLN   8  -2.935   6.404  -6.181
   64   2HB   GLN   8          HB3       GLN   8  -2.297   5.053  -7.088
   65   1HG   GLN   8          HG2       GLN   8  -4.372   3.824  -6.737
   66   2HG   GLN   8          HG3       GLN   8  -5.009   5.180  -5.798
   67   1HE2  GLN   8          HE21      GLN   8  -6.718   5.571  -7.188
   68   2HE2  GLN   8          HE22      GLN   8  -6.502   6.236  -8.770
   69    H    LYS   9           HN       LYS   9  -0.893   6.746  -5.204
   70    HA   LYS   9           HA       LYS   9   1.393   5.673  -6.348
   71   1HB   LYS   9          HB2       LYS   9   1.069   8.084  -4.566
   72   2HB   LYS   9          HB3       LYS   9   2.512   7.733  -5.511
   73   1HG   LYS   9          HG2       LYS   9   1.368   8.010  -7.545
   74   2HG   LYS   9          HG3       LYS   9  -0.209   8.012  -6.750
   75   1HD   LYS   9          HD2       LYS   9   0.424  10.265  -7.381
   76   2HD   LYS   9          HD3       LYS   9   0.395  10.106  -5.623
   77   1HE   LYS   9          HE2       LYS   9   2.821   9.843  -5.601
   78   2HE   LYS   9          HE3       LYS   9   2.857   9.976  -7.358
   79   1HZ   LYS   9          HZ1       LYS   9   1.884  12.101  -5.525
   80   2HZ   LYS   9          HZ2       LYS   9   2.062  12.219  -7.209
   81   3HZ   LYS   9          HZ3       LYS   9   3.431  12.057  -6.221
   82    H    LYS  10           HN       LYS  10   0.350   5.653  -3.060
   83    HA   LYS  10           HA       LYS  10   3.023   5.087  -2.052
   84   1HB   LYS  10          HB2       LYS  10   0.395   5.628  -0.691
   85   2HB   LYS  10          HB3       LYS  10   1.816   5.095   0.194
   86   1HG   LYS  10          HG2       LYS  10   3.019   7.063  -0.397
   87   2HG   LYS  10          HG3       LYS  10   1.763   7.556  -1.535
   88   1HD   LYS  10          HD2       LYS  10   0.205   7.915   0.259
   89   2HD   LYS  10          HD3       LYS  10   1.338   7.249   1.435
   90   1HE   LYS  10          HE2       LYS  10   1.919   9.694  -0.223
   91   2HE   LYS  10          HE3       LYS  10   1.166   9.764   1.369
   92   1HZ   LYS  10          HZ1       LYS  10   3.871   8.715   0.727
   93   2HZ   LYS  10          HZ2       LYS  10   3.135   8.590   2.250
   94   3HZ   LYS  10          HZ3       LYS  10   3.502  10.115   1.608
   95    H    HIS  11           HN       HIS  11   0.213   3.282  -2.955
   96    HA   HIS  11           HA       HIS  11   1.374   0.953  -1.593
   97   1HB   HIS  11          HB2       HIS  11  -1.505   1.808  -1.334
   98   2HB   HIS  11          HB3       HIS  11  -0.897   0.230  -0.844
   99    HD1  HIS  11           HD1      HIS  11   1.170   0.424   1.009
  100    HD2  HIS  11           HD2      HIS  11  -1.452   3.640   0.649
  101    HE1  HIS  11           HE1      HIS  11   1.426   1.750   3.129
  102    HE2  HIS  11           HE2      HIS  11  -0.226   3.642   2.927
  103    H    ILE  12           HN       ILE  12   0.004   2.150  -4.442
  104    HA   ILE  12           HA       ILE  12  -0.863  -0.540  -5.248
  105    HB   ILE  12           HB       ILE  12  -1.282   2.102  -6.669
  106   1HG1  ILE  12          HG12      ILE  12  -2.595   1.939  -4.615
  107   2HG1  ILE  12          HG13      ILE  12  -3.640   1.824  -6.023
  108   1HG2  ILE  12          HG21      ILE  12  -2.353  -0.642  -7.300
  109   2HG2  ILE  12          HG22      ILE  12  -2.809   0.851  -8.117
  110   3HG2  ILE  12          HG23      ILE  12  -1.155   0.250  -8.240
  111   1HD1  ILE  12          HD11      ILE  12  -4.324   0.255  -4.327
  112   2HD1  ILE  12          HD12      ILE  12  -3.717  -0.609  -5.741
  113   3HD1  ILE  12          HD13      ILE  12  -2.711  -0.458  -4.299
  114    H    THR  13           HN       THR  13   0.760  -1.725  -6.009
  115    HA   THR  13           HA       THR  13   2.524  -0.476  -8.005
  116    HB   THR  13           HB       THR  13   3.778  -0.976  -5.913
  117    HG1  THR  13           HG1      THR  13   5.488  -1.806  -7.024
  118   1HG2  THR  13          HG21      THR  13   3.116  -3.851  -6.566
  119   2HG2  THR  13          HG22      THR  13   2.556  -2.950  -5.156
  120   3HG2  THR  13          HG23      THR  13   4.273  -3.315  -5.345
  121    H    ASN  14           HN       ASN  14   3.243  -1.883  -9.700
  122    HA   ASN  14           HA       ASN  14   1.271  -3.999 -10.251
  123   1HB   ASN  14          HB2       ASN  14   1.610  -3.538 -12.618
  124   2HB   ASN  14          HB3       ASN  14   1.193  -2.048 -11.779
  125   1HD2  ASN  14          HD21      ASN  14   3.601  -3.766 -13.531
  126   2HD2  ASN  14          HD22      ASN  14   4.747  -2.473 -13.661
  127    H    THR  15           HN       THR  15   4.075  -3.962  -8.945
  128    HA   THR  15           HA       THR  15   5.033  -6.334 -10.363
  129    HB   THR  15           HB       THR  15   6.457  -4.636 -11.266
  130    HG1  THR  15           HG1      THR  15   8.398  -5.275  -9.537
  131   1HG2  THR  15          HG21      THR  15   6.019  -2.868  -9.655
  132   2HG2  THR  15          HG22      THR  15   7.755  -3.099  -9.862
  133   3HG2  THR  15          HG23      THR  15   6.946  -3.733  -8.430
  134    H    ARG  16           HN       ARG  16   5.794  -7.924  -9.038
  135    HA   ARG  16           HA       ARG  16   5.265  -7.814  -6.265
  136   1HB   ARG  16          HB2       ARG  16   6.956  -9.742  -7.866
  137   2HB   ARG  16          HB3       ARG  16   6.592  -9.948  -6.159
  138   1HG   ARG  16          HG2       ARG  16   4.550  -9.812  -8.361
  139   2HG   ARG  16          HG3       ARG  16   5.134 -11.290  -7.589
  140   1HD   ARG  16          HD2       ARG  16   3.887  -9.025  -6.062
  141   2HD   ARG  16          HD3       ARG  16   2.943 -10.356  -6.726
  142    HE   ARG  16           HE       ARG  16   4.359 -11.832  -5.291
  143   1HH1  ARG  16          HH12      ARG  16   4.007  -8.440  -4.475
  144   2HH1  ARG  16          HH11      ARG  16   4.145  -8.703  -2.766
  145   1HH2  ARG  16          HH22      ARG  16   4.508 -12.185  -3.031
  146   2HH2  ARG  16          HH21      ARG  16   4.389 -10.828  -1.951
  147    H    ASP  17           HN       ASP  17   8.212  -7.408  -8.142
  148    HA   ASP  17           HA       ASP  17   9.646  -6.624  -5.710
  149   1HB   ASP  17          HB2       ASP  17  10.787  -8.181  -7.271
  150   2HB   ASP  17          HB3       ASP  17  10.684  -6.963  -8.538
  151    H    VAL  18           HN       VAL  18   8.783  -4.637  -5.260
  152    HA   VAL  18           HA       VAL  18   8.782  -2.587  -7.307
  153    HB   VAL  18           HB       VAL  18   6.916  -2.387  -5.870
  154   1HG1  VAL  18          HG11      VAL  18   8.819  -2.548  -3.539
  155   2HG1  VAL  18          HG12      VAL  18   7.102  -2.158  -3.414
  156   3HG1  VAL  18          HG13      VAL  18   7.607  -3.741  -4.010
  157   1HG2  VAL  18          HG21      VAL  18   7.867  -0.247  -6.391
  158   2HG2  VAL  18          HG22      VAL  18   7.265  -0.207  -4.734
  159   3HG2  VAL  18          HG23      VAL  18   8.997  -0.371  -5.041
  160    H    ASP  19           HN       ASP  19  10.237  -0.953  -7.492
  161    HA   ASP  19           HA       ASP  19  12.794  -1.366  -6.334
  162   1HB   ASP  19          HB2       ASP  19  11.660   0.739  -8.169
  163   2HB   ASP  19          HB3       ASP  19  13.320   0.761  -7.616
  164    H    CYS  20           HN       CYS  20  12.178  -1.148  -4.109
  165    HA   CYS  20           HA       CYS  20  11.012   1.024  -2.896
  166   1HB   CYS  20          HB2       CYS  20  13.299  -0.491  -1.651
  167   2HB   CYS  20          HB3       CYS  20  11.904   0.236  -0.851
  168    H    ASP  21           HN       ASP  21  14.505   0.530  -3.460
  169    HA   ASP  21           HA       ASP  21  15.373   2.784  -2.054
  170   1HB   ASP  21          HB2       ASP  21  16.757   1.559  -4.441
  171   2HB   ASP  21          HB3       ASP  21  17.498   2.502  -3.153
  172    H    ASN  22           HN       ASN  22  14.014   2.550  -5.230
  173    HA   ASN  22           HA       ASN  22  14.951   5.233  -5.937
  174   1HB   ASN  22          HB2       ASN  22  15.118   3.444  -7.639
  175   2HB   ASN  22          HB3       ASN  22  13.377   3.238  -7.577
  176   1HD2  ASN  22          HD21      ASN  22  15.979   5.311  -8.587
  177   2HD2  ASN  22          HD22      ASN  22  15.033   6.322  -9.630
  178    H    ILE  23           HN       ILE  23  11.939   3.404  -5.682
  179    HA   ILE  23           HA       ILE  23  10.292   5.649  -6.208
  180    HB   ILE  23           HB       ILE  23   9.642   2.992  -4.929
  181   1HG1  ILE  23          HG12      ILE  23   9.253   4.097  -7.719
  182   2HG1  ILE  23          HG13      ILE  23  10.389   2.841  -7.244
  183   1HG2  ILE  23          HG21      ILE  23   8.014   4.673  -4.222
  184   2HG2  ILE  23          HG22      ILE  23   7.738   5.117  -5.907
  185   3HG2  ILE  23          HG23      ILE  23   7.292   3.508  -5.334
  186   1HD1  ILE  23          HD11      ILE  23   7.387   2.630  -7.163
  187   2HD1  ILE  23          HD12      ILE  23   8.453   1.907  -8.368
  188   3HD1  ILE  23          HD13      ILE  23   8.525   1.368  -6.691
  189    H    LEU  24           HN       LEU  24  11.590   4.279  -3.221
  190    HA   LEU  24           HA       LEU  24   9.879   5.893  -1.562
  191   1HB   LEU  24          HB2       LEU  24  12.352   4.377  -0.742
  192   2HB   LEU  24          HB3       LEU  24  11.128   5.027   0.328
  193    HG   LEU  24           HG       LEU  24  10.839   2.705  -1.575
  194   1HD1  LEU  24          HD11      LEU  24  10.441   1.431   0.450
  195   2HD1  LEU  24          HD12      LEU  24  12.009   2.238   0.523
  196   3HD1  LEU  24          HD13      LEU  24  10.640   2.888   1.425
  197   1HD2  LEU  24          HD21      LEU  24   8.780   4.009  -1.581
  198   2HD2  LEU  24          HD22      LEU  24   8.572   2.470  -0.742
  199   3HD2  LEU  24          HD23      LEU  24   8.742   3.963   0.182
  200    H    SER  25           HN       SER  25  12.765   6.482  -3.248
  201    HA   SER  25           HA       SER  25  13.762   8.390  -1.294
  202   1HB   SER  25          HB2       SER  25  15.564   8.761  -3.057
  203   2HB   SER  25          HB3       SER  25  15.485   7.152  -2.345
  204    HG   SER  25           HG       SER  25  15.341   6.492  -4.322
  205    H    THR  26           HN       THR  26  11.289   8.535  -3.284
  206    HA   THR  26           HA       THR  26  11.747  11.186  -4.383
  207    HB   THR  26           HB       THR  26   9.399  11.017  -5.160
  208    HG1  THR  26           HG1      THR  26   9.258   8.325  -4.393
  209   1HG2  THR  26          HG21      THR  26  11.158  10.152  -6.597
  210   2HG2  THR  26          HG22      THR  26   9.722   9.136  -6.726
  211   3HG2  THR  26          HG23      THR  26  11.100   8.597  -5.771
  212    H    ASN  27           HN       ASN  27   9.839  12.802  -3.929
  213    HA   ASN  27           HA       ASN  27   9.848  13.420  -1.153
  214   1HB   ASN  27          HB2       ASN  27   9.630  15.096  -3.003
  215   2HB   ASN  27          HB3       ASN  27   7.997  14.505  -3.289
  216   1HD2  ASN  27          HD21      ASN  27   6.905  16.318  -2.774
  217   2HD2  ASN  27          HD22      ASN  27   6.886  17.024  -1.196
  218    H    LEU  28           HN       LEU  28   8.094  11.181  -2.881
  219    HA   LEU  28           HA       LEU  28   5.549  11.401  -1.598
  220   1HB   LEU  28          HB2       LEU  28   5.961  10.418  -3.858
  221   2HB   LEU  28          HB3       LEU  28   6.762   9.069  -3.084
  222    HG   LEU  28           HG       LEU  28   4.600   8.552  -1.920
  223   1HD1  LEU  28          HD11      LEU  28   2.555   9.510  -2.796
  224   2HD1  LEU  28          HD12      LEU  28   3.583  10.779  -2.132
  225   3HD1  LEU  28          HD13      LEU  28   3.477  10.551  -3.879
  226   1HD2  LEU  28          HD21      LEU  28   4.626   8.541  -4.933
  227   2HD2  LEU  28          HD22      LEU  28   5.317   7.313  -3.872
  228   3HD2  LEU  28          HD23      LEU  28   3.570   7.556  -3.917
  229    H    PHE  29           HN       PHE  29   8.575  10.078  -0.697
  230    HA   PHE  29           HA       PHE  29   7.366   8.806   1.654
  231   1HB   PHE  29          HB2       PHE  29   9.478   7.447  -0.035
  232   2HB   PHE  29          HB3       PHE  29   8.795   6.832   1.464
  233    HD1  PHE  29           HD1      PHE  29   8.452   7.060  -2.091
  234    HD2  PHE  29           HD2      PHE  29   6.374   6.158   1.507
  235    HE1  PHE  29           HE1      PHE  29   6.740   5.866  -3.386
  236    HE2  PHE  29           HE2      PHE  29   4.655   4.963   0.216
  237    HZ   PHE  29           HZ       PHE  29   4.842   4.812  -2.234
  238    H    HIS  30           HN       HIS  30  10.031  10.253   0.017
  239    HA   HIS  30           HA       HIS  30  12.099  10.898   0.565
  240   1HB   HIS  30          HB2       HIS  30  12.244  12.554   2.286
  241   2HB   HIS  30          HB3       HIS  30  10.734  12.734   1.427
  242    HD1  HIS  30           HD1      HIS  30  12.154  12.044   4.789
  243    HD2  HIS  30           HD2      HIS  30   8.434  12.225   2.947
  244    HE1  HIS  30           HE1      HIS  30  10.476  12.146   6.663
  245    HE2  HIS  30           HE2      HIS  30   8.263  12.507   5.514
  246    H    CYS  31           HN       CYS  31  12.127   8.382   0.900
  247    HA   CYS  31           HA       CYS  31  13.181   6.630   1.845
  248   1HB   CYS  31          HB2       CYS  31  14.898   8.756   3.144
  249   2HB   CYS  31          HB3       CYS  31  15.323   7.065   2.923
  250    H    LYS  32           HN       LYS  32  11.019   6.543   3.069
  251    HA   LYS  32           HA       LYS  32  11.164   7.156   5.873
  252   1HB   LYS  32          HB2       LYS  32   8.932   6.388   6.020
  253   2HB   LYS  32          HB3       LYS  32   9.060   7.250   4.499
  254   1HG   LYS  32          HG2       LYS  32   9.378   4.964   3.418
  255   2HG   LYS  32          HG3       LYS  32   8.842   4.296   4.960
  256   1HD   LYS  32          HD2       LYS  32   7.317   6.151   3.136
  257   2HD   LYS  32          HD3       LYS  32   6.934   4.473   3.508
  258   1HE   LYS  32          HE2       LYS  32   6.799   6.844   5.365
  259   2HE   LYS  32          HE3       LYS  32   5.448   5.896   4.748
  260   1HZ   LYS  32          HZ1       LYS  32   6.591   3.956   5.944
  261   2HZ   LYS  32          HZ2       LYS  32   5.759   5.092   6.877
  262   3HZ   LYS  32          HZ3       LYS  32   7.448   5.155   6.789
  263    H    ASP  33           HN       ASP  33  10.423   5.266   7.412
  264    HA   ASP  33           HA       ASP  33  12.639   3.521   7.573
  265   1HB   ASP  33          HB2       ASP  33   9.999   3.077   8.972
  266   2HB   ASP  33          HB3       ASP  33  11.599   2.578   9.505
  267    H    LYS  34           HN       LYS  34   9.232   2.841   6.915
  268    HA   LYS  34           HA       LYS  34   9.980   0.715   5.110
  269   1HB   LYS  34          HB2       LYS  34   8.404  -0.900   6.257
  270   2HB   LYS  34          HB3       LYS  34   9.923  -0.597   7.082
  271   1HG   LYS  34          HG2       LYS  34   8.334  -0.609   8.774
  272   2HG   LYS  34          HG3       LYS  34   8.629   1.102   8.475
  273   1HD   LYS  34          HD2       LYS  34   6.596   1.255   7.166
  274   2HD   LYS  34          HD3       LYS  34   6.321  -0.479   7.343
  275   1HE   LYS  34          HE2       LYS  34   6.464   1.458   9.649
  276   2HE   LYS  34          HE3       LYS  34   4.961   0.963   8.873
  277   1HZ   LYS  34          HZ1       LYS  34   6.883  -0.879  10.201
  278   2HZ   LYS  34          HZ2       LYS  34   5.393  -1.312   9.513
  279   3HZ   LYS  34          HZ3       LYS  34   5.437  -0.315  10.885
  280    H    ASN  35           HN       ASN  35   8.199  -0.016   3.811
  281    HA   ASN  35           HA       ASN  35   5.651   1.295   4.064
  282   1HB   ASN  35          HB2       ASN  35   6.987   3.033   2.905
  283   2HB   ASN  35          HB3       ASN  35   7.329   1.894   1.612
  284   1HD2  ASN  35          HD21      ASN  35   5.689   1.350   0.169
  285   2HD2  ASN  35          HD22      ASN  35   4.219   2.258   0.055
  286    H    THR  36           HN       THR  36   4.255  -0.266   3.655
  287    HA   THR  36           HA       THR  36   5.043  -2.572   2.086
  288    HB   THR  36           HB       THR  36   2.441  -2.084   3.551
  289    HG1  THR  36           HG1      THR  36   4.481  -3.734   4.580
  290   1HG2  THR  36          HG21      THR  36   2.256  -4.530   3.525
  291   2HG2  THR  36          HG22      THR  36   3.768  -4.637   2.624
  292   3HG2  THR  36          HG23      THR  36   2.355  -3.886   1.885
  293    H    PHE  37           HN       PHE  37   4.667  -2.657  -0.024
  294    HA   PHE  37           HA       PHE  37   2.526  -1.041  -1.196
  295   1HB   PHE  37          HB2       PHE  37   4.728  -2.667  -2.486
  296   2HB   PHE  37          HB3       PHE  37   3.511  -1.762  -3.375
  297    HD1  PHE  37           HD1      PHE  37   6.393  -1.464  -1.102
  298    HD2  PHE  37           HD2      PHE  37   3.716   0.580  -3.715
  299    HE1  PHE  37           HE1      PHE  37   7.845   0.517  -1.036
  300    HE2  PHE  37           HE2      PHE  37   5.174   2.560  -3.653
  301    HZ   PHE  37           HZ       PHE  37   7.243   2.519  -2.320
  302    H    ILE  38           HN       ILE  38   1.147  -2.033  -2.820
  303    HA   ILE  38           HA       ILE  38   0.456  -4.818  -2.148
  304    HB   ILE  38           HB       ILE  38  -1.392  -2.596  -3.049
  305   1HG1  ILE  38          HG12      ILE  38  -1.289  -3.897  -0.326
  306   2HG1  ILE  38          HG13      ILE  38  -0.436  -2.404  -0.704
  307   1HG2  ILE  38          HG21      ILE  38  -3.208  -4.133  -2.598
  308   2HG2  ILE  38          HG22      ILE  38  -2.096  -4.841  -3.770
  309   3HG2  ILE  38          HG23      ILE  38  -2.062  -5.377  -2.089
  310   1HD1  ILE  38          HD11      ILE  38  -3.410  -2.812  -0.891
  311   2HD1  ILE  38          HD12      ILE  38  -2.555  -1.988   0.415
  312   3HD1  ILE  38          HD13      ILE  38  -2.539  -1.313  -1.213
  313    H    TYR  39           HN       TYR  39   0.971  -6.121  -3.804
  314    HA   TYR  39           HA       TYR  39   1.094  -5.158  -6.512
  315   1HB   TYR  39          HB2       TYR  39   2.651  -6.903  -5.867
  316   2HB   TYR  39          HB3       TYR  39   1.324  -7.957  -5.388
  317    HD1  TYR  39           HD1      TYR  39   2.673  -6.157  -8.368
  318    HD2  TYR  39           HD2      TYR  39   0.487  -9.499  -6.907
  319    HE1  TYR  39           HE1      TYR  39   2.616  -7.105 -10.637
  320    HE2  TYR  39           HE2      TYR  39   0.423 -10.451  -9.169
  321    HH   TYR  39           HH       TYR  39   2.336  -9.244 -11.733
  322    H    SER  40           HN       SER  40  -0.878  -4.416  -6.959
  323    HA   SER  40           HA       SER  40  -2.734  -6.216  -8.058
  324   1HB   SER  40          HB2       SER  40  -3.323  -6.519  -5.631
  325   2HB   SER  40          HB3       SER  40  -3.690  -4.796  -5.548
  326    HG   SER  40           HG       SER  40  -5.128  -6.879  -6.684
  327    H    ARG  41           HN       ARG  41  -4.854  -4.778  -8.506
  328    HA   ARG  41           HA       ARG  41  -3.738  -2.308  -9.612
  329   1HB   ARG  41          HB2       ARG  41  -6.141  -3.934 -10.426
  330   2HB   ARG  41          HB3       ARG  41  -5.688  -2.396 -11.158
  331   1HG   ARG  41          HG2       ARG  41  -3.579  -3.297 -11.856
  332   2HG   ARG  41          HG3       ARG  41  -3.929  -4.814 -11.037
  333   1HD   ARG  41          HD2       ARG  41  -5.824  -5.168 -12.530
  334   2HD   ARG  41          HD3       ARG  41  -5.425  -3.668 -13.372
  335    HE   ARG  41           HE       ARG  41  -3.197  -4.757 -13.791
  336   1HH1  ARG  41          HH12      ARG  41  -6.194  -6.587 -13.553
  337   2HH1  ARG  41          HH11      ARG  41  -5.561  -7.963 -14.401
  338   1HH2  ARG  41          HH22      ARG  41  -2.370  -6.592 -14.895
  339   2HH2  ARG  41          HH21      ARG  41  -3.406  -7.971 -15.160
  340    HA   PRO  42           HA       PRO  42  -5.993   0.279  -7.050
  341   1HB   PRO  42          HB2       PRO  42  -6.835   2.248  -8.777
  342   2HB   PRO  42          HB3       PRO  42  -5.197   2.113  -8.137
  343   1HG   PRO  42          HG2       PRO  42  -6.243   1.410 -10.812
  344   2HG   PRO  42          HG3       PRO  42  -4.634   1.960 -10.342
  345   1HD   PRO  42          HD2       PRO  42  -5.315  -0.648 -10.954
  346   2HD   PRO  42          HD3       PRO  42  -3.889  -0.171 -10.023
  347    H    GLU  43           HN       GLU  43  -7.633  -0.945  -9.873
  348    HA   GLU  43           HA       GLU  43 -10.214   0.001  -9.140
  349   1HB   GLU  43          HB2       GLU  43  -9.273  -2.088 -11.082
  350   2HB   GLU  43          HB3       GLU  43 -10.972  -1.753 -10.818
  351   1HG   GLU  43          HG2       GLU  43  -8.880   0.127 -11.867
  352   2HG   GLU  43          HG3       GLU  43 -10.261  -0.536 -12.736
  353    HA   PRO  44           HA       PRO  44 -10.988  -4.528  -7.528
  354   1HB   PRO  44          HB2       PRO  44  -8.759  -6.029  -7.027
  355   2HB   PRO  44          HB3       PRO  44  -9.672  -6.103  -8.535
  356   1HG   PRO  44          HG2       PRO  44  -7.163  -4.596  -7.909
  357   2HG   PRO  44          HG3       PRO  44  -7.571  -5.544  -9.353
  358   1HD   PRO  44          HD2       PRO  44  -7.735  -2.865  -9.348
  359   2HD   PRO  44          HD3       PRO  44  -8.895  -3.861 -10.230
  360    H    VAL  45           HN       VAL  45  -8.295  -2.568  -6.464
  361    HA   VAL  45           HA       VAL  45  -8.566  -3.452  -3.708
  362    HB   VAL  45           HB       VAL  45  -6.822  -1.291  -4.918
  363   1HG1  VAL  45          HG11      VAL  45  -6.869  -2.342  -2.093
  364   2HG1  VAL  45          HG12      VAL  45  -5.668  -1.233  -2.754
  365   3HG1  VAL  45          HG13      VAL  45  -7.353  -0.728  -2.611
  366   1HG2  VAL  45          HG21      VAL  45  -6.148  -4.036  -3.870
  367   2HG2  VAL  45          HG22      VAL  45  -6.180  -3.551  -5.566
  368   3HG2  VAL  45          HG23      VAL  45  -4.991  -2.848  -4.470
  369    H    LYS  46           HN       LYS  46  -9.511  -0.757  -5.737
  370    HA   LYS  46           HA       LYS  46 -10.594   0.843  -3.645
  371   1HB   LYS  46          HB2       LYS  46 -10.015   1.585  -6.002
  372   2HB   LYS  46          HB3       LYS  46 -11.485   0.782  -6.526
  373   1HG   LYS  46          HG2       LYS  46 -12.783   2.257  -5.037
  374   2HG   LYS  46          HG3       LYS  46 -11.288   3.099  -4.616
  375   1HD   LYS  46          HD2       LYS  46 -10.961   3.535  -7.058
  376   2HD   LYS  46          HD3       LYS  46 -12.586   2.901  -7.325
  377   1HE   LYS  46          HE2       LYS  46 -13.424   4.630  -5.727
  378   2HE   LYS  46          HE3       LYS  46 -11.802   5.318  -5.711
  379   1HZ   LYS  46          HZ1       LYS  46 -12.010   5.542  -8.171
  380   2HZ   LYS  46          HZ2       LYS  46 -13.085   6.514  -7.288
  381   3HZ   LYS  46          HZ3       LYS  46 -13.642   5.097  -8.029
  382    H    ALA  47           HN       ALA  47 -11.682  -1.845  -5.542
  383    HA   ALA  47           HA       ALA  47 -14.454  -1.669  -5.032
  384   1HB   ALA  47          HB1       ALA  47 -14.559  -3.959  -5.848
  385   2HB   ALA  47          HB2       ALA  47 -13.520  -2.977  -6.878
  386   3HB   ALA  47          HB3       ALA  47 -12.805  -4.100  -5.722
  387    H    ILE  48           HN       ILE  48 -11.826  -2.605  -3.060
  388    HA   ILE  48           HA       ILE  48 -13.145  -4.359  -1.278
  389    HB   ILE  48           HB       ILE  48 -10.901  -2.427  -0.635
  390   1HG1  ILE  48          HG12      ILE  48 -10.747  -5.326  -1.499
  391   2HG1  ILE  48          HG13      ILE  48 -10.432  -3.958  -2.562
  392   1HG2  ILE  48          HG21      ILE  48 -11.997  -3.329   1.348
  393   2HG2  ILE  48          HG22      ILE  48 -11.791  -4.969   0.733
  394   3HG2  ILE  48          HG23      ILE  48 -10.378  -4.006   1.168
  395   1HD1  ILE  48          HD11      ILE  48  -8.562  -3.298  -1.135
  396   2HD1  ILE  48          HD12      ILE  48  -8.878  -4.685  -0.095
  397   3HD1  ILE  48          HD13      ILE  48  -8.370  -4.932  -1.764
  398    H    CYS  49           HN       CYS  49 -13.108  -0.923  -1.715
  399    HA   CYS  49           HA       CYS  49 -14.583  -0.492   0.771
  400   1HB   CYS  49          HB2       CYS  49 -13.279   1.442  -1.151
  401   2HB   CYS  49          HB3       CYS  49 -14.107   1.905   0.331
  402    H    LYS  50           HN       LYS  50 -15.525  -1.579  -1.969
  403    HA   LYS  50           HA       LYS  50 -17.379   0.194  -3.083
  404   1HB   LYS  50          HB2       LYS  50 -16.716  -1.941  -4.123
  405   2HB   LYS  50          HB3       LYS  50 -17.572  -2.814  -2.859
  406   1HG   LYS  50          HG2       LYS  50 -19.683  -1.811  -3.607
  407   2HG   LYS  50          HG3       LYS  50 -18.816  -0.970  -4.893
  408   1HD   LYS  50          HD2       LYS  50 -18.966  -3.968  -4.560
  409   2HD   LYS  50          HD3       LYS  50 -19.927  -3.019  -5.695
  410   1HE   LYS  50          HE2       LYS  50 -17.839  -2.254  -6.768
  411   2HE   LYS  50          HE3       LYS  50 -16.920  -3.281  -5.670
  412   1HZ   LYS  50          HZ1       LYS  50 -18.045  -5.214  -6.594
  413   2HZ   LYS  50          HZ2       LYS  50 -17.249  -4.342  -7.811
  414   3HZ   LYS  50          HZ3       LYS  50 -18.929  -4.219  -7.646
  415    H    GLY  51           HN       GLY  51 -19.036   1.150  -2.174
  416   1HA   GLY  51          HA1       GLY  51 -21.157   1.226  -1.210
  417   2HA   GLY  51          HA2       GLY  51 -20.890  -0.374  -0.540
  418    H    ILE  52           HN       ILE  52 -18.267   1.686   0.057
  419    HA   ILE  52           HA       ILE  52 -19.256   2.106   2.801
  420    HB   ILE  52           HB       ILE  52 -16.353   1.963   1.998
  421   1HG1  ILE  52          HG12      ILE  52 -17.447  -0.163   1.407
  422   2HG1  ILE  52          HG13      ILE  52 -16.340  -0.361   2.755
  423   1HG2  ILE  52          HG21      ILE  52 -16.825   3.055   4.116
  424   2HG2  ILE  52          HG22      ILE  52 -17.760   1.660   4.650
  425   3HG2  ILE  52          HG23      ILE  52 -16.023   1.510   4.389
  426   1HD1  ILE  52          HD11      ILE  52 -18.233  -0.334   4.301
  427   2HD1  ILE  52          HD12      ILE  52 -19.333  -0.152   2.933
  428   3HD1  ILE  52          HD13      ILE  52 -18.375  -1.621   3.104
  429    H    ILE  53           HN       ILE  53 -20.063   4.162   2.599
  430    HA   ILE  53           HA       ILE  53 -18.526   6.184   1.194
  431    HB   ILE  53           HB       ILE  53 -21.165   6.392   2.625
  432   1HG1  ILE  53          HG12      ILE  53 -21.535   4.955   0.820
  433   2HG1  ILE  53          HG13      ILE  53 -22.011   6.531   0.227
  434   1HG2  ILE  53          HG21      ILE  53 -21.442   8.481   1.406
  435   2HG2  ILE  53          HG22      ILE  53 -20.047   8.524   2.486
  436   3HG2  ILE  53          HG23      ILE  53 -19.813   8.308   0.752
  437   1HD1  ILE  53          HD11      ILE  53 -19.794   6.727  -0.857
  438   2HD1  ILE  53          HD12      ILE  53 -19.465   5.061  -0.373
  439   3HD1  ILE  53          HD13      ILE  53 -20.793   5.415  -1.484
  440    H    ALA  54           HN       ALA  54 -19.879   5.723   4.436
  441    HA   ALA  54           HA       ALA  54 -18.551   7.907   5.639
  442   1HB   ALA  54          HB1       ALA  54 -20.498   6.827   6.652
  443   2HB   ALA  54          HB2       ALA  54 -19.553   5.361   6.916
  444   3HB   ALA  54          HB3       ALA  54 -19.130   6.848   7.763
  445    H    SER  55           HN       SER  55 -16.596   8.109   6.568
  446    HA   SER  55           HA       SER  55 -14.403   6.567   5.900
  447   1HB   SER  55          HB2       SER  55 -14.489   8.905   6.939
  448   2HB   SER  55          HB3       SER  55 -14.638   8.101   8.499
  449    HG   SER  55           HG       SER  55 -12.456   8.307   6.777
  450    H    LYS  56           HN       LYS  56 -14.364   4.399   6.246
  451    HA   LYS  56           HA       LYS  56 -14.706   3.426   9.001
  452   1HB   LYS  56          HB2       LYS  56 -16.835   3.058   7.875
  453   2HB   LYS  56          HB3       LYS  56 -16.018   2.270   6.535
  454   1HG   LYS  56          HG2       LYS  56 -15.201   0.575   8.264
  455   2HG   LYS  56          HG3       LYS  56 -16.429   1.266   9.327
  456   1HD   LYS  56          HD2       LYS  56 -18.146   0.781   7.641
  457   2HD   LYS  56          HD3       LYS  56 -16.914   0.065   6.601
  458   1HE   LYS  56          HE2       LYS  56 -17.830  -0.917   9.298
  459   2HE   LYS  56          HE3       LYS  56 -18.073  -1.694   7.736
  460   1HZ   LYS  56          HZ1       LYS  56 -16.309  -2.802   8.834
  461   2HZ   LYS  56          HZ2       LYS  56 -15.513  -1.351   9.194
  462   3HZ   LYS  56          HZ3       LYS  56 -15.608  -1.890   7.591
  463    H    ASN  57           HN       ASN  57 -13.178   2.014   9.594
  464    HA   ASN  57           HA       ASN  57 -11.140   1.135   7.790
  465   1HB   ASN  57          HB2       ASN  57 -11.815   0.475  10.657
  466   2HB   ASN  57          HB3       ASN  57 -10.495  -0.321   9.809
  467   1HD2  ASN  57          HD21      ASN  57  -9.226   0.615  11.549
  468   2HD2  ASN  57          HD22      ASN  57  -8.653   2.244  11.391
  469    H    VAL  58           HN       VAL  58 -11.142  -0.623   6.526
  470    HA   VAL  58           HA       VAL  58 -13.028  -2.797   7.158
  471    HB   VAL  58           HB       VAL  58 -12.482  -1.618   4.426
  472   1HG1  VAL  58          HG11      VAL  58 -14.142  -4.022   5.167
  473   2HG1  VAL  58          HG12      VAL  58 -14.035  -3.297   3.562
  474   3HG1  VAL  58          HG13      VAL  58 -12.610  -4.046   4.291
  475   1HG2  VAL  58          HG21      VAL  58 -14.903  -1.168   4.424
  476   2HG2  VAL  58          HG22      VAL  58 -15.005  -1.775   6.078
  477   3HG2  VAL  58          HG23      VAL  58 -14.067  -0.318   5.726
  478    H    LEU  59           HN       LEU  59 -11.905  -4.567   7.587
  479    HA   LEU  59           HA       LEU  59  -9.253  -4.999   6.544
  480   1HB   LEU  59          HB2       LEU  59 -10.086  -5.598   8.873
  481   2HB   LEU  59          HB3       LEU  59 -10.975  -6.906   8.129
  482    HG   LEU  59           HG       LEU  59  -8.672  -7.357   9.232
  483   1HD1  LEU  59          HD11      LEU  59  -8.230  -9.161   7.674
  484   2HD1  LEU  59          HD12      LEU  59  -9.949  -9.024   8.042
  485   3HD1  LEU  59          HD13      LEU  59  -9.324  -8.421   6.506
  486   1HD2  LEU  59          HD21      LEU  59  -7.445  -5.614   8.076
  487   2HD2  LEU  59          HD22      LEU  59  -6.792  -7.210   7.699
  488   3HD2  LEU  59          HD23      LEU  59  -7.811  -6.376   6.524
  489    H    THR  60           HN       THR  60  -8.683  -6.410   4.930
  490    HA   THR  60           HA       THR  60 -10.723  -6.880   2.994
  491    HB   THR  60           HB       THR  60  -8.871  -7.897   1.638
  492    HG1  THR  60           HG1      THR  60  -7.184  -8.513   2.733
  493   1HG2  THR  60          HG21      THR  60  -7.676  -5.786   1.306
  494   2HG2  THR  60          HG22      THR  60  -8.332  -5.174   2.825
  495   3HG2  THR  60          HG23      THR  60  -9.411  -5.522   1.474
  496    H    THR  61           HN       THR  61 -11.287  -8.807   1.998
  497    HA   THR  61           HA       THR  61 -11.823 -10.905   3.865
  498    HB   THR  61           HB       THR  61 -12.925 -11.894   1.749
  499    HG1  THR  61           HG1      THR  61 -12.441 -10.828  -0.023
  500   1HG2  THR  61          HG21      THR  61 -14.811 -10.300   1.923
  501   2HG2  THR  61          HG22      THR  61 -13.772  -9.207   2.841
  502   3HG2  THR  61          HG23      THR  61 -14.197 -10.787   3.502
  503    H    SER  62           HN       SER  62  -9.367 -10.301   1.619
  504    HA   SER  62           HA       SER  62  -8.476 -13.085   1.672
  505   1HB   SER  62          HB2       SER  62  -8.605 -11.404  -0.851
  506   2HB   SER  62          HB3       SER  62  -8.002 -13.056  -0.731
  507    HG   SER  62           HG       SER  62 -10.088 -13.738  -0.195
  508    H    GLU  63           HN       GLU  63  -6.188 -13.326   1.145
  509    HA   GLU  63           HA       GLU  63  -4.636 -11.027   2.004
  510   1HB   GLU  63          HB2       GLU  63  -3.635 -13.767   1.210
  511   2HB   GLU  63          HB3       GLU  63  -2.726 -12.516   2.026
  512   1HG   GLU  63          HG2       GLU  63  -4.108 -12.697   3.983
  513   2HG   GLU  63          HG3       GLU  63  -5.143 -13.867   3.180
  514    H    PHE  64           HN       PHE  64  -3.479  -9.762   0.740
  515    HA   PHE  64           HA       PHE  64  -3.506 -10.331  -2.136
  516   1HB   PHE  64          HB2       PHE  64  -3.226  -7.765  -0.586
  517   2HB   PHE  64          HB3       PHE  64  -2.873  -7.865  -2.304
  518    HD1  PHE  64           HD1      PHE  64  -4.582  -7.760  -3.893
  519    HD2  PHE  64           HD2      PHE  64  -5.558  -8.353   0.206
  520    HE1  PHE  64           HE1      PHE  64  -6.962  -7.421  -4.416
  521    HE2  PHE  64           HE2      PHE  64  -7.940  -8.014  -0.306
  522    HZ   PHE  64           HZ       PHE  64  -8.647  -7.548  -2.621
  523    H    TYR  65           HN       TYR  65  -1.557  -9.507  -3.318
  524    HA   TYR  65           HA       TYR  65   0.764 -10.700  -2.076
  525   1HB   TYR  65          HB2       TYR  65   0.500  -9.432  -4.810
  526   2HB   TYR  65          HB3       TYR  65   1.812 -10.469  -4.258
  527    HD1  TYR  65           HD1      TYR  65  -1.238 -10.373  -6.007
  528    HD2  TYR  65           HD2      TYR  65   1.068 -12.853  -3.434
  529    HE1  TYR  65           HE1      TYR  65  -2.482 -12.343  -6.801
  530    HE2  TYR  65           HE2      TYR  65  -0.165 -14.828  -4.217
  531    HH   TYR  65           HH       TYR  65  -2.180 -14.765  -6.970
  532    H    LEU  66           HN       LEU  66   1.666  -9.422  -0.589
  533    HA   LEU  66           HA       LEU  66   1.800  -6.549  -1.076
  534   1HB   LEU  66          HB2       LEU  66   2.449  -8.089   1.433
  535   2HB   LEU  66          HB3       LEU  66   2.327  -6.345   1.285
  536    HG   LEU  66           HG       LEU  66   0.073  -8.329   1.007
  537   1HD1  LEU  66          HD11      LEU  66   0.788  -7.956   3.304
  538   2HD1  LEU  66          HD12      LEU  66   0.633  -6.213   3.074
  539   3HD1  LEU  66          HD13      LEU  66  -0.799  -7.240   3.007
  540   1HD2  LEU  66          HD21      LEU  66  -1.385  -6.373   0.796
  541   2HD2  LEU  66          HD22      LEU  66   0.034  -5.325   0.748
  542   3HD2  LEU  66          HD23      LEU  66  -0.248  -6.490  -0.548
  543    H    SER  67           HN       SER  67   3.727  -5.384  -0.854
  544    HA   SER  67           HA       SER  67   6.195  -6.984  -0.797
  545   1HB   SER  67          HB2       SER  67   5.706  -4.512  -2.484
  546   2HB   SER  67          HB3       SER  67   7.192  -5.462  -2.428
  547    HG   SER  67           HG       SER  67   6.336  -6.635  -3.934
  548    H    ASP  68           HN       ASP  68   7.129  -6.546   1.067
  549    HA   ASP  68           HA       ASP  68   6.656  -3.991   2.382
  550   1HB   ASP  68          HB2       ASP  68   7.959  -6.554   3.307
  551   2HB   ASP  68          HB3       ASP  68   7.944  -5.088   4.277
  552    H    CYS  69           HN       CYS  69   7.969  -2.394   1.707
  553    HA   CYS  69           HA       CYS  69  10.796  -2.954   1.277
  554   1HB   CYS  69          HB2       CYS  69   9.201  -0.387   1.096
  555   2HB   CYS  69          HB3       CYS  69  10.915  -0.523   0.721
  556    H    ASN  70           HN       ASN  70  12.142  -2.959   2.950
  557    HA   ASN  70           HA       ASN  70  11.538  -1.204   5.250
  558   1HB   ASN  70          HB2       ASN  70  12.804  -3.952   5.423
  559   2HB   ASN  70          HB3       ASN  70  12.366  -2.905   6.764
  560   1HD2  ASN  70          HD21      ASN  70   9.786  -2.172   5.581
  561   2HD2  ASN  70          HD22      ASN  70   8.766  -3.556   5.773
  562    H    VAL  71           HN       VAL  71  13.167   0.066   5.888
  563    HA   VAL  71           HA       VAL  71  15.555   0.196   4.352
  564    HB   VAL  71           HB       VAL  71  14.396   2.125   5.538
  565   1HG1  VAL  71          HG11      VAL  71  15.139   2.617   7.829
  566   2HG1  VAL  71          HG12      VAL  71  14.128   1.173   7.732
  567   3HG1  VAL  71          HG13      VAL  71  15.875   1.017   7.913
  568   1HG2  VAL  71          HG21      VAL  71  16.491   3.329   5.925
  569   2HG2  VAL  71          HG22      VAL  71  17.369   1.800   5.926
  570   3HG2  VAL  71          HG23      VAL  71  16.566   2.355   4.457
  571    H    THR  72           HN       THR  72  17.612  -0.366   4.838
  572    HA   THR  72           HA       THR  72  17.842  -2.409   6.931
  573    HB   THR  72           HB       THR  72  19.864  -3.148   5.629
  574    HG1  THR  72           HG1      THR  72  18.824  -1.295   3.714
  575   1HG2  THR  72          HG21      THR  72  18.586  -4.250   3.861
  576   2HG2  THR  72          HG22      THR  72  17.252  -3.126   4.113
  577   3HG2  THR  72          HG23      THR  72  17.695  -4.267   5.381
  578    H    SER  73           HN       SER  73  20.829  -2.180   6.408
  579    HA   SER  73           HA       SER  73  21.296  -0.481   8.686
  580   1HB   SER  73          HB2       SER  73  23.313  -2.067   7.137
  581   2HB   SER  73          HB3       SER  73  23.442  -1.506   8.800
  582    HG   SER  73           HG       SER  73  22.718  -3.831   8.214
  583    H    ARG  74           HN       ARG  74  21.346  -0.157   5.345
  584    HA   ARG  74           HA       ARG  74  23.196   2.105   5.474
  585   1HB   ARG  74          HB2       ARG  74  22.176   0.439   3.194
  586   2HB   ARG  74          HB3       ARG  74  22.887   2.022   2.908
  587   1HG   ARG  74          HG2       ARG  74  24.969   1.317   3.887
  588   2HG   ARG  74          HG3       ARG  74  24.265  -0.234   4.346
  589   1HD   ARG  74          HD2       ARG  74  24.484   0.730   1.502
  590   2HD   ARG  74          HD3       ARG  74  25.694  -0.285   2.287
  591    HE   ARG  74           HE       ARG  74  23.208  -1.520   2.595
  592   1HH1  ARG  74          HH12      ARG  74  25.459  -0.700   0.029
  593   2HH1  ARG  74          HH11      ARG  74  24.972  -2.026  -0.990
  594   1HH2  ARG  74          HH22      ARG  74  22.575  -3.268   1.248
  595   2HH2  ARG  74          HH21      ARG  74  23.334  -3.463  -0.305
  596    HA   PRO  75           HA       PRO  75  19.887   5.014   5.638
  597   1HB   PRO  75          HB2       PRO  75  21.712   6.670   3.981
  598   2HB   PRO  75          HB3       PRO  75  20.916   7.051   5.510
  599   1HG   PRO  75          HG2       PRO  75  23.518   6.489   5.439
  600   2HG   PRO  75          HG3       PRO  75  22.497   5.905   6.769
  601   1HD   PRO  75          HD2       PRO  75  23.566   4.423   4.402
  602   2HD   PRO  75          HD3       PRO  75  23.366   3.877   6.080
  603    H    CYS  76           HN       CYS  76  18.129   5.042   4.476
  604    HA   CYS  76           HA       CYS  76  16.656   4.881   2.762
  605   1HB   CYS  76          HB2       CYS  76  17.579   7.170   2.411
  606   2HB   CYS  76          HB3       CYS  76  18.712   6.504   1.250
  607    H    LYS  77           HN       LYS  77  18.629   2.764   3.004
  608    HA   LYS  77           HA       LYS  77  18.315   1.690   0.286
  609   1HB   LYS  77          HB2       LYS  77  20.589   1.342   2.226
  610   2HB   LYS  77          HB3       LYS  77  20.274   0.147   0.972
  611   1HG   LYS  77          HG2       LYS  77  20.677   3.074   0.406
  612   2HG   LYS  77          HG3       LYS  77  21.979   1.881   0.383
  613   1HD   LYS  77          HD2       LYS  77  21.120   0.787  -1.474
  614   2HD   LYS  77          HD3       LYS  77  19.492   1.409  -1.208
  615   1HE   LYS  77          HE2       LYS  77  21.825   3.132  -2.016
  616   2HE   LYS  77          HE3       LYS  77  20.716   2.393  -3.169
  617   1HZ   LYS  77          HZ1       LYS  77  19.516   4.234  -2.909
  618   2HZ   LYS  77          HZ2       LYS  77  20.354   4.713  -1.514
  619   3HZ   LYS  77          HZ3       LYS  77  19.064   3.623  -1.394
  620    H    TYR  78           HN       TYR  78  17.105  -0.086   0.137
  621    HA   TYR  78           HA       TYR  78  16.020  -1.055   2.707
  622   1HB   TYR  78          HB2       TYR  78  14.505  -0.870   0.106
  623   2HB   TYR  78          HB3       TYR  78  13.853  -1.104   1.729
  624    HD1  TYR  78           HD1      TYR  78  13.707   0.774   3.287
  625    HD2  TYR  78           HD2      TYR  78  15.155   1.290  -0.676
  626    HE1  TYR  78           HE1      TYR  78  13.456   3.209   3.515
  627    HE2  TYR  78           HE2      TYR  78  14.905   3.717  -0.460
  628    HH   TYR  78           HH       TYR  78  13.825   5.330   0.790
  629    H    LYS  79           HN       LYS  79  14.888  -3.087   2.601
  630    HA   LYS  79           HA       LYS  79  16.009  -4.991   0.650
  631   1HB   LYS  79          HB2       LYS  79  16.658  -5.501   2.974
  632   2HB   LYS  79          HB3       LYS  79  14.968  -5.489   3.454
  633   1HG   LYS  79          HG2       LYS  79  14.704  -7.347   1.671
  634   2HG   LYS  79          HG3       LYS  79  16.453  -7.500   1.825
  635   1HD   LYS  79          HD2       LYS  79  14.444  -7.734   4.064
  636   2HD   LYS  79          HD3       LYS  79  15.295  -9.072   3.293
  637   1HE   LYS  79          HE2       LYS  79  17.426  -8.175   4.079
  638   2HE   LYS  79          HE3       LYS  79  16.583  -6.821   4.834
  639   1HZ   LYS  79          HZ1       LYS  79  15.438  -8.366   6.283
  640   2HZ   LYS  79          HZ2       LYS  79  17.115  -8.572   6.431
  641   3HZ   LYS  79          HZ3       LYS  79  16.203  -9.685   5.534
  642    H    LEU  80           HN       LEU  80  14.542  -5.727  -0.778
  643    HA   LEU  80           HA       LEU  80  11.754  -5.132  -0.395
  644   1HB   LEU  80          HB2       LEU  80  12.929  -5.059  -2.617
  645   2HB   LEU  80          HB3       LEU  80  13.007  -6.806  -2.568
  646    HG   LEU  80           HG       LEU  80  11.136  -5.663  -3.932
  647   1HD1  LEU  80          HD11      LEU  80   9.584  -7.486  -3.474
  648   2HD1  LEU  80          HD12      LEU  80  11.250  -8.057  -3.576
  649   3HD1  LEU  80          HD13      LEU  80  10.480  -7.869  -2.002
  650   1HD2  LEU  80          HD21      LEU  80   9.085  -5.236  -2.676
  651   2HD2  LEU  80          HD22      LEU  80   9.973  -5.478  -1.172
  652   3HD2  LEU  80          HD23      LEU  80  10.381  -4.127  -2.230
  653    H    LYS  81           HN       LYS  81  10.124  -6.522   0.007
  654    HA   LYS  81           HA       LYS  81  10.784  -9.298   0.679
  655   1HB   LYS  81          HB2       LYS  81  10.895  -8.163   2.793
  656   2HB   LYS  81          HB3       LYS  81   9.403  -7.294   2.467
  657   1HG   LYS  81          HG2       LYS  81   8.325  -9.635   2.375
  658   2HG   LYS  81          HG3       LYS  81   9.785 -10.164   3.212
  659   1HD   LYS  81          HD2       LYS  81   9.350  -8.771   5.062
  660   2HD   LYS  81          HD3       LYS  81   8.124  -7.854   4.183
  661   1HE   LYS  81          HE2       LYS  81   6.821 -10.030   4.041
  662   2HE   LYS  81          HE3       LYS  81   7.957 -10.668   5.231
  663   1HZ   LYS  81          HZ1       LYS  81   7.304  -8.927   6.760
  664   2HZ   LYS  81          HZ2       LYS  81   5.937  -9.800   6.259
  665   3HZ   LYS  81          HZ3       LYS  81   6.249  -8.268   5.604
  666    H    LYS  82           HN       LYS  82   9.512 -10.456  -0.624
  667    HA   LYS  82           HA       LYS  82   6.900  -9.459  -1.396
  668   1HB   LYS  82          HB2       LYS  82   8.209 -12.097  -2.081
  669   2HB   LYS  82          HB3       LYS  82   6.840 -11.347  -2.899
  670   1HG   LYS  82          HG2       LYS  82   8.254  -9.520  -3.638
  671   2HG   LYS  82          HG3       LYS  82   9.627 -10.218  -2.781
  672   1HD   LYS  82          HD2       LYS  82   9.418 -12.240  -4.205
  673   2HD   LYS  82          HD3       LYS  82   8.152 -11.416  -5.113
  674   1HE   LYS  82          HE2       LYS  82   9.744  -9.631  -5.680
  675   2HE   LYS  82          HE3       LYS  82  11.004 -10.493  -4.799
  676   1HZ   LYS  82          HZ1       LYS  82  10.508 -12.402  -6.368
  677   2HZ   LYS  82          HZ2       LYS  82  11.318 -11.064  -7.022
  678   3HZ   LYS  82          HZ3       LYS  82   9.661 -11.275  -7.312
  679    H    SER  83           HN       SER  83   5.117  -9.883  -0.285
  680    HA   SER  83           HA       SER  83   4.994 -12.321   1.340
  681   1HB   SER  83          HB2       SER  83   3.928 -10.887   3.151
  682   2HB   SER  83          HB3       SER  83   5.658 -10.637   2.908
  683    HG   SER  83           HG       SER  83   4.968  -8.607   2.835
  684    H    THR  84           HN       THR  84   2.720 -12.631   2.207
  685    HA   THR  84           HA       THR  84   0.640 -11.484   0.461
  686    HB   THR  84           HB       THR  84   0.454 -14.360   1.296
  687    HG1  THR  84           HG1      THR  84   2.523 -13.781   0.070
  688   1HG2  THR  84          HG21      THR  84  -0.871 -14.524  -0.769
  689   2HG2  THR  84          HG22      THR  84  -0.549 -12.823  -1.107
  690   3HG2  THR  84          HG23      THR  84  -1.503 -13.276   0.307
  691    H    ASN  85           HN       ASN  85  -0.840 -10.531   1.725
  692    HA   ASN  85           HA       ASN  85  -1.922 -11.833   4.030
  693   1HB   ASN  85          HB2       ASN  85   0.325 -10.556   4.719
  694   2HB   ASN  85          HB3       ASN  85  -0.784  -9.200   4.732
  695   1HD2  ASN  85          HD21      ASN  85   0.582 -10.243   6.972
  696   2HD2  ASN  85          HD22      ASN  85  -0.608 -10.825   8.085
  697    H    LYS  86           HN       LYS  86  -3.674 -10.635   4.975
  698    HA   LYS  86           HA       LYS  86  -5.095  -8.979   3.111
  699   1HB   LYS  86          HB2       LYS  86  -5.780  -9.464   6.012
  700   2HB   LYS  86          HB3       LYS  86  -6.876  -9.087   4.685
  701   1HG   LYS  86          HG2       LYS  86  -6.435 -11.254   3.681
  702   2HG   LYS  86          HG3       LYS  86  -5.303 -11.632   4.980
  703   1HD   LYS  86          HD2       LYS  86  -7.199 -11.351   6.585
  704   2HD   LYS  86          HD3       LYS  86  -8.264 -11.216   5.193
  705   1HE   LYS  86          HE2       LYS  86  -7.748 -13.416   4.466
  706   2HE   LYS  86          HE3       LYS  86  -6.433 -13.558   5.631
  707   1HZ   LYS  86          HZ1       LYS  86  -8.287 -14.769   6.440
  708   2HZ   LYS  86          HZ2       LYS  86  -9.340 -13.462   6.214
  709   3HZ   LYS  86          HZ3       LYS  86  -8.134 -13.383   7.405
  710    H    PHE  87           HN       PHE  87  -6.099  -6.873   4.138
  711    HA   PHE  87           HA       PHE  87  -4.443  -5.576   6.093
  712   1HB   PHE  87          HB2       PHE  87  -3.882  -3.635   4.593
  713   2HB   PHE  87          HB3       PHE  87  -3.008  -5.122   4.252
  714    HD1  PHE  87           HD1      PHE  87  -3.251  -6.240   2.166
  715    HD2  PHE  87           HD2      PHE  87  -5.684  -2.879   3.092
  716    HE1  PHE  87           HE1      PHE  87  -3.979  -6.127  -0.180
  717    HE2  PHE  87           HE2      PHE  87  -6.411  -2.761   0.747
  718    HZ   PHE  87           HZ       PHE  87  -5.521  -4.371  -0.907
  719    H    CYS  88           HN       CYS  88  -5.389  -3.744   6.996
  720    HA   CYS  88           HA       CYS  88  -8.223  -3.445   6.314
  721   1HB   CYS  88          HB2       CYS  88  -7.176  -3.731   8.771
  722   2HB   CYS  88          HB3       CYS  88  -6.960  -1.990   8.603
  723    H    VAL  89           HN       VAL  89  -8.725  -1.893   4.931
  724    HA   VAL  89           HA       VAL  89  -7.009   0.485   4.786
  725    HB   VAL  89           HB       VAL  89  -8.341   0.959   2.661
  726   1HG1  VAL  89          HG11      VAL  89  -6.611  -1.506   2.754
  727   2HG1  VAL  89          HG12      VAL  89  -6.977  -0.558   1.313
  728   3HG1  VAL  89          HG13      VAL  89  -6.042   0.158   2.626
  729   1HG2  VAL  89          HG21      VAL  89 -10.213  -0.553   3.065
  730   2HG2  VAL  89          HG22      VAL  89  -9.389  -0.981   1.566
  731   3HG2  VAL  89          HG23      VAL  89  -9.123  -1.937   3.024
  732    H    THR  90           HN       THR  90  -7.835   2.521   5.116
  733    HA   THR  90           HA       THR  90 -10.403   2.666   6.420
  734    HB   THR  90           HB       THR  90  -8.530   4.921   5.656
  735    HG1  THR  90           HG1      THR  90  -8.857   3.491   8.112
  736   1HG2  THR  90          HG21      THR  90 -10.819   5.682   6.010
  737   2HG2  THR  90          HG22      THR  90  -9.790   6.203   7.344
  738   3HG2  THR  90          HG23      THR  90 -10.881   4.833   7.554
  739    H    CYS  91           HN       CYS  91 -12.142   2.569   5.168
  740    HA   CYS  91           HA       CYS  91 -12.007   3.460   2.405
  741   1HB   CYS  91          HB2       CYS  91 -14.137   1.962   3.939
  742   2HB   CYS  91          HB3       CYS  91 -14.210   2.334   2.218
  743    H    GLU  92           HN       GLU  92 -12.727   5.341   1.763
  744    HA   GLU  92           HA       GLU  92 -14.899   6.651   3.231
  745   1HB   GLU  92          HB2       GLU  92 -12.392   7.400   3.758
  746   2HB   GLU  92          HB3       GLU  92 -12.618   8.311   2.282
  747   1HG   GLU  92          HG2       GLU  92 -14.447   9.520   3.208
  748   2HG   GLU  92          HG3       GLU  92 -14.457   8.496   4.646
  749    H    ASN  93           HN       ASN  93 -16.431   7.186   1.813
  750    HA   ASN  93           HA       ASN  93 -17.521   7.710  -0.123
  751   1HB   ASN  93          HB2       ASN  93 -14.823   8.899  -0.787
  752   2HB   ASN  93          HB3       ASN  93 -16.193   9.001  -1.881
  753   1HD2  ASN  93          HD21      ASN  93 -16.421   9.201   1.622
  754   2HD2  ASN  93          HD22      ASN  93 -16.906  10.863   1.673
  755    H    GLN  94           HN       GLN  94 -16.326   5.139   0.217
  756    HA   GLN  94           HA       GLN  94 -16.106   3.191  -0.900
  757   1HB   GLN  94          HB2       GLN  94 -16.966   4.875  -3.241
  758   2HB   GLN  94          HB3       GLN  94 -16.642   3.151  -3.374
  759   1HG   GLN  94          HG2       GLN  94 -18.343   2.776  -1.596
  760   2HG   GLN  94          HG3       GLN  94 -18.733   4.489  -1.692
  761   1HE2  GLN  94          HE21      GLN  94 -17.819   2.677  -4.500
  762   2HE2  GLN  94          HE22      GLN  94 -19.382   2.658  -5.241
  763    H    ALA  95           HN       ALA  95 -13.891   5.206  -0.665
  764    HA   ALA  95           HA       ALA  95 -12.070   3.692  -2.388
  765   1HB   ALA  95          HB1       ALA  95 -10.815   5.725  -2.935
  766   2HB   ALA  95          HB2       ALA  95 -12.473   5.812  -3.528
  767   3HB   ALA  95          HB3       ALA  95 -12.010   6.697  -2.075
  768    HA   PRO  96           HA       PRO  96  -9.758   3.412   1.415
  769   1HB   PRO  96          HB2       PRO  96  -7.502   2.661  -0.301
  770   2HB   PRO  96          HB3       PRO  96  -8.339   1.700   0.921
  771   1HG   PRO  96          HG2       PRO  96  -8.577   1.180  -1.712
  772   2HG   PRO  96          HG3       PRO  96  -9.918   0.935  -0.582
  773   1HD   PRO  96          HD2       PRO  96  -9.428   3.208  -2.465
  774   2HD   PRO  96          HD3       PRO  96 -10.936   2.350  -2.115
  775    H    VAL  97           HN       VAL  97  -9.351   5.445   2.160
  776    HA   VAL  97           HA       VAL  97  -7.538   7.147   0.607
  777    HB   VAL  97           HB       VAL  97  -8.399   9.028   1.909
  778   1HG1  VAL  97          HG11      VAL  97 -10.644   7.323   0.836
  779   2HG1  VAL  97          HG12      VAL  97 -10.660   9.075   1.040
  780   3HG1  VAL  97          HG13      VAL  97  -9.577   8.335  -0.143
  781   1HG2  VAL  97          HG21      VAL  97 -10.266   8.713   3.464
  782   2HG2  VAL  97          HG22      VAL  97 -10.121   6.966   3.271
  783   3HG2  VAL  97          HG23      VAL  97  -8.808   7.882   4.009
  784    H    HIS  98           HN       HIS  98  -7.666   5.293   3.451
  785    HA   HIS  98           HA       HIS  98  -5.033   6.314   4.215
  786   1HB   HIS  98          HB2       HIS  98  -7.254   5.813   6.210
  787   2HB   HIS  98          HB3       HIS  98  -5.596   6.234   6.606
  788    HD1  HIS  98           HD1      HIS  98  -4.968   8.674   5.119
  789    HD2  HIS  98           HD2      HIS  98  -8.804   7.964   6.538
  790    HE1  HIS  98           HE1      HIS  98  -6.075  10.926   5.222
  791    HE2  HIS  98           HE2      HIS  98  -8.472  10.430   5.841
  792    H    PHE  99           HN       PHE  99  -3.774   4.776   5.413
  793    HA   PHE  99           HA       PHE  99  -4.717   2.018   4.989
  794   1HB   PHE  99          HB2       PHE  99  -2.708   2.791   3.657
  795   2HB   PHE  99          HB3       PHE  99  -1.840   2.916   5.183
  796    HD1  PHE  99           HD1      PHE  99  -0.758   1.049   6.071
  797    HD2  PHE  99           HD2      PHE  99  -3.736   0.520   3.076
  798    HE1  PHE  99           HE1      PHE  99  -0.196  -1.345   5.937
  799    HE2  PHE  99           HE2      PHE  99  -3.180  -1.871   2.936
  800    HZ   PHE  99           HZ       PHE  99  -1.406  -2.807   4.368
  801    H    VAL 100           HN       VAL 100  -4.904   0.740   6.704
  802    HA   VAL 100           HA       VAL 100  -4.280   1.882   9.313
  803    HB   VAL 100           HB       VAL 100  -5.892  -0.569   8.588
  804   1HG1  VAL 100          HG11      VAL 100  -5.579   0.846  11.230
  805   2HG1  VAL 100          HG12      VAL 100  -6.710  -0.465  10.899
  806   3HG1  VAL 100          HG13      VAL 100  -4.975  -0.759  10.820
  807   1HG2  VAL 100          HG21      VAL 100  -6.794   2.200   9.382
  808   2HG2  VAL 100          HG22      VAL 100  -6.946   1.476   7.781
  809   3HG2  VAL 100          HG23      VAL 100  -7.850   0.810   9.139
  810    H    GLY 101           HN       GLY 101  -4.224  -1.496   8.170
  811   1HA   GLY 101          HA1       GLY 101  -1.407  -1.795   8.454
  812   2HA   GLY 101          HA2       GLY 101  -2.245  -2.429   9.863
  813    H    VAL 102           HN       VAL 102  -0.797  -4.184   8.426
  814    HA   VAL 102           HA       VAL 102  -2.669  -5.483   6.597
  815    HB   VAL 102           HB       VAL 102  -0.952  -6.594   5.595
  816   1HG1  VAL 102          HG11      VAL 102   0.390  -4.122   6.653
  817   2HG1  VAL 102          HG12      VAL 102   0.951  -5.077   5.281
  818   3HG1  VAL 102          HG13      VAL 102  -0.604  -4.250   5.202
  819   1HG2  VAL 102          HG21      VAL 102   0.690  -6.324   8.103
  820   2HG2  VAL 102          HG22      VAL 102  -0.094  -7.785   7.496
  821   3HG2  VAL 102          HG23      VAL 102   1.249  -7.068   6.603
  822    H    GLY 103           HN       GLY 103  -3.054  -7.751   6.754
  823   1HA   GLY 103          HA1       GLY 103  -3.262  -9.769   7.935
  824   2HA   GLY 103          HA2       GLY 103  -2.585  -8.990   9.359
  825    H    SER 104           HN       SER 104  -4.031  -7.051  10.068
  826    HA   SER 104           HA       SER 104  -6.845  -7.255   9.666
  827   1HB   SER 104          HB2       SER 104  -7.314  -7.830  12.073
  828   2HB   SER 104          HB3       SER 104  -6.654  -9.165  11.133
  829    HG   SER 104           HG       SER 104  -4.552  -8.504  12.015
  830    H    CYS 105           HN       CYS 105  -7.952  -5.704  11.307
  831    HA   CYS 105           HA       CYS 105  -6.008  -3.671  12.129
  832   1HB   CYS 105          HB2       CYS 105  -8.047  -2.088  11.984
  833   2HB   CYS 105          HB3       CYS 105  -7.183  -2.553  10.524
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1  -2.455  15.302   4.978
    2   2H    MET   1           H2       MET   1  -3.479  14.103   5.590
    3   3H    MET   1           H3       MET   1  -3.796  15.733   5.923
    4    HA   MET   1           HA       MET   1  -5.285  14.857   4.234
    5   1HB   MET   1          HB2       MET   1  -4.501  17.262   4.256
    6   2HB   MET   1          HB3       MET   1  -3.311  16.813   3.041
    7   1HG   MET   1          HG2       MET   1  -5.188  17.810   1.950
    8   2HG   MET   1          HG3       MET   1  -5.162  16.089   1.564
    9   1HE   MET   1          HE1       MET   1  -7.670  16.187   0.713
   10   2HE   MET   1          HE2       MET   1  -8.994  16.874   1.652
   11   3HE   MET   1          HE3       MET   1  -7.704  17.915   1.057
   12    H    GLN   2           HN       GLN   2  -5.139  12.864   3.372
   13    HA   GLN   2           HA       GLN   2  -3.642  12.525   0.958
   14   1HB   GLN   2          HB2       GLN   2  -2.304  10.632   1.609
   15   2HB   GLN   2          HB3       GLN   2  -1.920  11.974   2.673
   16   1HG   GLN   2          HG2       GLN   2  -3.988  10.059   3.567
   17   2HG   GLN   2          HG3       GLN   2  -2.318   9.508   3.550
   18   1HE2  GLN   2          HE21      GLN   2  -2.272   9.307   5.768
   19   2HE2  GLN   2          HE22      GLN   2  -2.214  10.674   6.835
   20    H    ASP   3           HN       ASP   3  -4.725  11.174  -0.384
   21    HA   ASP   3           HA       ASP   3  -6.768   9.437   0.766
   22   1HB   ASP   3          HB2       ASP   3  -7.288  11.590  -1.253
   23   2HB   ASP   3          HB3       ASP   3  -8.425  10.300  -0.905
   24    H    TRP   4           HN       TRP   4  -8.032   8.868  -1.685
   25    HA   TRP   4           HA       TRP   4  -6.679   6.581  -2.367
   26   1HB   TRP   4          HB2       TRP   4  -9.047   6.915  -2.775
   27   2HB   TRP   4          HB3       TRP   4  -8.694   8.127  -3.997
   28    HD1  TRP   4           HD1      TRP   4  -9.033   7.213  -6.344
   29    HE1  TRP   4           HE1      TRP   4  -8.757   4.927  -7.515
   30    HE3  TRP   4           HE3      TRP   4  -7.369   4.452  -2.370
   31    HZ2  TRP   4           HZ2      TRP   4  -7.943   2.329  -6.840
   32    HZ3  TRP   4           HZ3      TRP   4  -6.885   2.062  -2.718
   33    HH2  TRP   4           HH2      TRP   4  -7.156   1.030  -4.913
   34    H    LEU   5           HN       LEU   5  -6.501   9.711  -4.036
   35    HA   LEU   5           HA       LEU   5  -5.159   8.748  -6.323
   36   1HB   LEU   5          HB2       LEU   5  -5.237  11.497  -5.082
   37   2HB   LEU   5          HB3       LEU   5  -4.483  11.153  -6.625
   38    HG   LEU   5           HG       LEU   5  -6.618  12.082  -7.073
   39   1HD1  LEU   5          HD11      LEU   5  -6.806   9.099  -7.428
   40   2HD1  LEU   5          HD12      LEU   5  -7.729  10.313  -8.314
   41   3HD1  LEU   5          HD13      LEU   5  -5.978  10.221  -8.509
   42   1HD2  LEU   5          HD21      LEU   5  -8.710  11.164  -6.217
   43   2HD2  LEU   5          HD22      LEU   5  -7.804  10.008  -5.240
   44   3HD2  LEU   5          HD23      LEU   5  -7.671  11.736  -4.912
   45    H    THR   6           HN       THR   6  -3.941  10.271  -3.345
   46    HA   THR   6           HA       THR   6  -1.193   9.944  -4.062
   47    HB   THR   6           HB       THR   6  -2.406  10.416  -1.328
   48    HG1  THR   6           HG1      THR   6  -1.512  12.646  -1.986
   49   1HG2  THR   6          HG21      THR   6  -0.203  11.309  -0.748
   50   2HG2  THR   6          HG22      THR   6   0.395  10.881  -2.350
   51   3HG2  THR   6          HG23      THR   6  -0.094   9.615  -1.223
   52    H    PHE   7           HN       PHE   7  -3.542   8.124  -2.195
   53    HA   PHE   7           HA       PHE   7  -1.947   6.168  -1.046
   54   1HB   PHE   7          HB2       PHE   7  -4.379   6.486  -0.645
   55   2HB   PHE   7          HB3       PHE   7  -4.714   5.825  -2.238
   56    HD1  PHE   7           HD1      PHE   7  -4.030   5.104   1.214
   57    HD2  PHE   7           HD2      PHE   7  -4.168   3.422  -2.696
   58    HE1  PHE   7           HE1      PHE   7  -4.135   2.844   2.189
   59    HE2  PHE   7           HE2      PHE   7  -4.275   1.164  -1.724
   60    HZ   PHE   7           HZ       PHE   7  -4.261   0.875   0.721
   61    H    GLN   8           HN       GLN   8  -3.344   6.336  -4.281
   62    HA   GLN   8           HA       GLN   8  -2.644   3.884  -5.318
   63   1HB   GLN   8          HB2       GLN   8  -2.969   6.611  -6.462
   64   2HB   GLN   8          HB3       GLN   8  -2.315   5.339  -7.470
   65   1HG   GLN   8          HG2       GLN   8  -4.305   4.010  -7.144
   66   2HG   GLN   8          HG3       GLN   8  -4.951   5.222  -6.033
   67   1HE2  GLN   8          HE21      GLN   8  -6.755   5.632  -7.262
   68   2HE2  GLN   8          HE22      GLN   8  -6.690   6.471  -8.774
   69    H    LYS   9           HN       LYS   9  -0.802   6.882  -5.802
   70    HA   LYS   9           HA       LYS   9   1.362   5.830  -7.140
   71   1HB   LYS   9          HB2       LYS   9   1.367   8.118  -5.165
   72   2HB   LYS   9          HB3       LYS   9   2.592   7.822  -6.390
   73   1HG   LYS   9          HG2       LYS   9   1.136   8.360  -8.138
   74   2HG   LYS   9          HG3       LYS   9  -0.289   8.244  -7.103
   75   1HD   LYS   9          HD2       LYS   9   0.496  10.206  -5.844
   76   2HD   LYS   9          HD3       LYS   9   1.884  10.330  -6.927
   77   1HE   LYS   9          HE2       LYS   9   0.176  11.899  -7.599
   78   2HE   LYS   9          HE3       LYS   9   0.349  10.643  -8.822
   79   1HZ   LYS   9          HZ1       LYS   9  -1.747  10.668  -6.723
   80   2HZ   LYS   9          HZ2       LYS   9  -1.621   9.564  -8.004
   81   3HZ   LYS   9          HZ3       LYS   9  -1.980  11.195  -8.316
   82    H    LYS  10           HN       LYS  10   0.734   5.914  -3.718
   83    HA   LYS  10           HA       LYS  10   3.460   5.098  -3.107
   84   1HB   LYS  10          HB2       LYS  10   1.197   5.919  -1.295
   85   2HB   LYS  10          HB3       LYS  10   2.810   5.486  -0.745
   86   1HG   LYS  10          HG2       LYS  10   3.711   7.347  -2.122
   87   2HG   LYS  10          HG3       LYS  10   2.049   7.815  -2.489
   88   1HD   LYS  10          HD2       LYS  10   1.627   8.074  -0.066
   89   2HD   LYS  10          HD3       LYS  10   3.326   7.701   0.242
   90   1HE   LYS  10          HE2       LYS  10   3.964   9.645  -1.147
   91   2HE   LYS  10          HE3       LYS  10   2.256  10.033  -1.343
   92   1HZ   LYS  10          HZ1       LYS  10   3.164  11.370   0.394
   93   2HZ   LYS  10          HZ2       LYS  10   3.792  10.016   1.196
   94   3HZ   LYS  10          HZ3       LYS  10   2.115  10.241   1.101
   95    H    HIS  11           HN       HIS  11   0.438   3.534  -3.536
   96    HA   HIS  11           HA       HIS  11   1.479   1.260  -1.983
   97   1HB   HIS  11          HB2       HIS  11  -1.308   2.385  -1.826
   98   2HB   HIS  11          HB3       HIS  11  -0.894   0.772  -1.257
   99    HD1  HIS  11           HD1      HIS  11   0.744   0.640   0.819
  100    HD2  HIS  11           HD2      HIS  11  -0.609   4.457  -0.138
  101    HE1  HIS  11           HE1      HIS  11   1.255   2.066   2.829
  102    HE2  HIS  11           HE2      HIS  11   0.683   4.413   2.108
  103    H    ILE  12           HN       ILE  12   0.039   2.283  -4.905
  104    HA   ILE  12           HA       ILE  12  -0.880  -0.446  -5.470
  105    HB   ILE  12           HB       ILE  12  -1.332   2.086  -7.070
  106   1HG1  ILE  12          HG12      ILE  12  -2.532   2.131  -4.948
  107   2HG1  ILE  12          HG13      ILE  12  -3.656   1.922  -6.282
  108   1HG2  ILE  12          HG21      ILE  12  -1.364   0.188  -8.536
  109   2HG2  ILE  12          HG22      ILE  12  -2.411  -0.703  -7.429
  110   3HG2  ILE  12          HG23      ILE  12  -3.026   0.722  -8.268
  111   1HD1  ILE  12          HD11      ILE  12  -4.241   0.530  -4.374
  112   2HD1  ILE  12          HD12      ILE  12  -3.823  -0.453  -5.777
  113   3HD1  ILE  12          HD13      ILE  12  -2.668  -0.260  -4.460
  114    H    THR  13           HN       THR  13   0.786  -1.663  -6.106
  115    HA   THR  13           HA       THR  13   2.518  -0.581  -8.224
  116    HB   THR  13           HB       THR  13   3.839  -1.100  -6.231
  117    HG1  THR  13           HG1      THR  13   4.978  -3.078  -7.433
  118   1HG2  THR  13          HG21      THR  13   2.444  -2.806  -5.204
  119   2HG2  THR  13          HG22      THR  13   4.082  -3.425  -5.447
  120   3HG2  THR  13          HG23      THR  13   2.777  -3.912  -6.539
  121    H    ASN  14           HN       ASN  14   2.911  -1.850 -10.030
  122    HA   ASN  14           HA       ASN  14   1.031  -4.090 -10.340
  123   1HB   ASN  14          HB2       ASN  14   1.176  -3.651 -12.784
  124   2HB   ASN  14          HB3       ASN  14   0.543  -2.276 -11.884
  125   1HD2  ASN  14          HD21      ASN  14   1.787  -0.423 -11.678
  126   2HD2  ASN  14          HD22      ASN  14   3.168  -0.129 -12.680
  127    H    THR  15           HN       THR  15   3.949  -3.767  -9.400
  128    HA   THR  15           HA       THR  15   4.799  -6.247 -10.705
  129    HB   THR  15           HB       THR  15   6.166  -4.546 -11.756
  130    HG1  THR  15           HG1      THR  15   8.284  -5.230 -10.884
  131   1HG2  THR  15          HG21      THR  15   7.620  -3.051 -10.472
  132   2HG2  THR  15          HG22      THR  15   6.935  -3.670  -8.969
  133   3HG2  THR  15          HG23      THR  15   5.920  -2.768 -10.096
  134    H    ARG  16           HN       ARG  16   5.681  -7.745  -9.329
  135    HA   ARG  16           HA       ARG  16   5.174  -7.501  -6.554
  136   1HB   ARG  16          HB2       ARG  16   6.893  -9.478  -8.070
  137   2HB   ARG  16          HB3       ARG  16   6.539  -9.591  -6.352
  138   1HG   ARG  16          HG2       ARG  16   4.492  -9.652  -8.545
  139   2HG   ARG  16          HG3       ARG  16   5.118 -11.057  -7.677
  140   1HD   ARG  16          HD2       ARG  16   3.715  -8.722  -6.412
  141   2HD   ARG  16          HD3       ARG  16   2.945 -10.260  -6.797
  142    HE   ARG  16           HE       ARG  16   4.592 -11.259  -5.191
  143   1HH1  ARG  16          HH12      ARG  16   3.735  -7.874  -4.968
  144   2HH1  ARG  16          HH11      ARG  16   4.014  -7.776  -3.263
  145   1HH2  ARG  16          HH22      ARG  16   4.908 -11.147  -2.912
  146   2HH2  ARG  16          HH21      ARG  16   4.639  -9.634  -2.092
  147    H    ASP  17           HN       ASP  17   7.953  -6.895  -8.547
  148    HA   ASP  17           HA       ASP  17   9.610  -6.415  -6.180
  149   1HB   ASP  17          HB2       ASP  17  10.406  -7.845  -8.161
  150   2HB   ASP  17          HB3       ASP  17  10.530  -6.332  -9.054
  151    H    VAL  18           HN       VAL  18   8.394  -4.472  -5.667
  152    HA   VAL  18           HA       VAL  18   8.509  -2.232  -7.428
  153    HB   VAL  18           HB       VAL  18   6.789  -2.001  -5.869
  154   1HG1  VAL  18          HG11      VAL  18   7.092  -2.183  -3.413
  155   2HG1  VAL  18          HG12      VAL  18   7.370  -3.699  -4.274
  156   3HG1  VAL  18          HG13      VAL  18   8.741  -2.746  -3.698
  157   1HG2  VAL  18          HG21      VAL  18   7.911   0.089  -6.087
  158   2HG2  VAL  18          HG22      VAL  18   7.439  -0.094  -4.397
  159   3HG2  VAL  18          HG23      VAL  18   9.115  -0.371  -4.882
  160    H    ASP  19           HN       ASP  19  10.089  -0.775  -7.705
  161    HA   ASP  19           HA       ASP  19  12.689  -1.456  -6.700
  162   1HB   ASP  19          HB2       ASP  19  11.908  -0.514  -9.057
  163   2HB   ASP  19          HB3       ASP  19  12.214   1.034  -8.275
  164    H    CYS  20           HN       CYS  20  11.744  -1.000  -4.484
  165    HA   CYS  20           HA       CYS  20  11.074   1.482  -3.522
  166   1HB   CYS  20          HB2       CYS  20  12.252  -0.937  -2.217
  167   2HB   CYS  20          HB3       CYS  20  11.878   0.516  -1.280
  168    H    ASP  21           HN       ASP  21  14.370   0.111  -3.666
  169    HA   ASP  21           HA       ASP  21  15.650   2.124  -2.236
  170   1HB   ASP  21          HB2       ASP  21  17.713   1.454  -3.270
  171   2HB   ASP  21          HB3       ASP  21  16.743   0.020  -2.976
  172    H    ASN  22           HN       ASN  22  14.289   2.273  -5.402
  173    HA   ASN  22           HA       ASN  22  15.505   4.911  -5.835
  174   1HB   ASN  22          HB2       ASN  22  15.607   3.377  -7.743
  175   2HB   ASN  22          HB3       ASN  22  13.860   3.188  -7.700
  176   1HD2  ASN  22          HD21      ASN  22  16.496   5.271  -8.521
  177   2HD2  ASN  22          HD22      ASN  22  15.573   6.435  -9.417
  178    H    ILE  23           HN       ILE  23  12.356   3.317  -6.016
  179    HA   ILE  23           HA       ILE  23  10.784   5.575  -6.406
  180    HB   ILE  23           HB       ILE  23  10.086   2.956  -5.077
  181   1HG1  ILE  23          HG12      ILE  23   9.651   4.012  -7.878
  182   2HG1  ILE  23          HG13      ILE  23  10.829   2.794  -7.406
  183   1HG2  ILE  23          HG21      ILE  23   8.492   4.685  -4.387
  184   2HG2  ILE  23          HG22      ILE  23   8.206   5.092  -6.080
  185   3HG2  ILE  23          HG23      ILE  23   7.743   3.504  -5.462
  186   1HD1  ILE  23          HD11      ILE  23   9.033   1.280  -6.786
  187   2HD1  ILE  23          HD12      ILE  23   7.841   2.505  -7.222
  188   3HD1  ILE  23          HD13      ILE  23   8.878   1.803  -8.465
  189    H    LEU  24           HN       LEU  24  11.818   4.097  -3.339
  190    HA   LEU  24           HA       LEU  24  10.180   5.890  -1.784
  191   1HB   LEU  24          HB2       LEU  24  12.434   4.129  -0.829
  192   2HB   LEU  24          HB3       LEU  24  11.202   4.881   0.163
  193    HG   LEU  24           HG       LEU  24  10.750   2.682  -1.855
  194   1HD1  LEU  24          HD11      LEU  24  10.662   2.679   1.152
  195   2HD1  LEU  24          HD12      LEU  24  10.262   1.320   0.100
  196   3HD1  LEU  24          HD13      LEU  24  11.911   1.941   0.148
  197   1HD2  LEU  24          HD21      LEU  24   8.844   4.096  -0.004
  198   2HD2  LEU  24          HD22      LEU  24   8.792   4.065  -1.768
  199   3HD2  LEU  24          HD23      LEU  24   8.491   2.588  -0.847
  200    H    SER  25           HN       SER  25  13.092   6.240  -3.378
  201    HA   SER  25           HA       SER  25  14.248   8.032  -1.382
  202   1HB   SER  25          HB2       SER  25  15.335   7.164  -4.072
  203   2HB   SER  25          HB3       SER  25  16.209   8.084  -2.843
  204    HG   SER  25           HG       SER  25  15.848   5.415  -3.033
  205    H    THR  26           HN       THR  26  11.999   8.258  -3.741
  206    HA   THR  26           HA       THR  26  12.772  10.798  -4.862
  207    HB   THR  26           HB       THR  26  10.546  10.799  -5.901
  208    HG1  THR  26           HG1      THR  26  10.012   8.248  -4.813
  209   1HG2  THR  26          HG21      THR  26  12.364   9.545  -6.981
  210   2HG2  THR  26          HG22      THR  26  10.793   8.802  -7.280
  211   3HG2  THR  26          HG23      THR  26  11.888   8.099  -6.089
  212    H    ASN  27           HN       ASN  27  11.003  12.582  -4.742
  213    HA   ASN  27           HA       ASN  27  10.796  13.455  -2.054
  214   1HB   ASN  27          HB2       ASN  27  10.959  15.029  -3.911
  215   2HB   ASN  27          HB3       ASN  27   9.425  14.460  -4.558
  216   1HD2  ASN  27          HD21      ASN  27   7.544  15.251  -3.747
  217   2HD2  ASN  27          HD22      ASN  27   7.460  16.469  -2.520
  218    H    LEU  28           HN       LEU  28   8.921  11.354  -3.915
  219    HA   LEU  28           HA       LEU  28   6.347  11.801  -2.815
  220   1HB   LEU  28          HB2       LEU  28   6.765  10.611  -4.934
  221   2HB   LEU  28          HB3       LEU  28   7.523   9.307  -4.046
  222    HG   LEU  28           HG       LEU  28   5.310   8.921  -2.902
  223   1HD1  LEU  28          HD11      LEU  28   4.332  11.126  -3.346
  224   2HD1  LEU  28          HD12      LEU  28   4.294  10.750  -5.068
  225   3HD1  LEU  28          HD13      LEU  28   3.312   9.815  -3.940
  226   1HD2  LEU  28          HD21      LEU  28   4.332   7.760  -4.834
  227   2HD2  LEU  28          HD22      LEU  28   5.437   8.631  -5.898
  228   3HD2  LEU  28          HD23      LEU  28   6.072   7.497  -4.707
  229    H    PHE  29           HN       PHE  29   9.168  10.216  -1.571
  230    HA   PHE  29           HA       PHE  29   7.559   9.101   0.628
  231   1HB   PHE  29          HB2       PHE  29   9.757   7.693  -0.887
  232   2HB   PHE  29          HB3       PHE  29   9.202   7.174   0.696
  233    HD1  PHE  29           HD1      PHE  29   8.546   7.198  -2.848
  234    HD2  PHE  29           HD2      PHE  29   6.903   6.322   0.974
  235    HE1  PHE  29           HE1      PHE  29   6.762   5.887  -3.921
  236    HE2  PHE  29           HE2      PHE  29   5.119   5.011  -0.088
  237    HZ   PHE  29           HZ       PHE  29   5.150   4.650  -2.527
  238    H    HIS  30           HN       HIS  30  10.686  10.115  -0.576
  239    HA   HIS  30           HA       HIS  30  12.661  10.542   0.424
  240   1HB   HIS  30          HB2       HIS  30  12.517  12.412   2.090
  241   2HB   HIS  30          HB3       HIS  30  11.764  12.709   0.545
  242    HD1  HIS  30           HD1      HIS  30  10.929  12.157   4.175
  243    HD2  HIS  30           HD2      HIS  30   9.057  13.247   0.628
  244    HE1  HIS  30           HE1      HIS  30   8.662  13.025   4.844
  245    HE2  HIS  30           HE2      HIS  30   7.619  13.847   2.697
  246    H    CYS  31           HN       CYS  31  12.520   8.268   1.085
  247    HA   CYS  31           HA       CYS  31  12.529   6.537   2.521
  248   1HB   CYS  31          HB2       CYS  31  14.331   6.781   4.284
  249   2HB   CYS  31          HB3       CYS  31  14.791   6.982   2.604
  250    H    LYS  32           HN       LYS  32  10.294   6.988   3.129
  251    HA   LYS  32           HA       LYS  32   9.668   7.720   5.793
  252   1HB   LYS  32          HB2       LYS  32   7.539   6.852   5.363
  253   2HB   LYS  32          HB3       LYS  32   8.095   7.323   3.764
  254   1HG   LYS  32          HG2       LYS  32   8.168   4.527   4.889
  255   2HG   LYS  32          HG3       LYS  32   6.975   5.149   3.754
  256   1HD   LYS  32          HD2       LYS  32   8.517   5.257   2.004
  257   2HD   LYS  32          HD3       LYS  32   9.900   5.222   3.101
  258   1HE   LYS  32          HE2       LYS  32   8.000   2.922   2.730
  259   2HE   LYS  32          HE3       LYS  32   9.504   3.105   1.831
  260   1HZ   LYS  32          HZ1       LYS  32   9.300   2.923   4.791
  261   2HZ   LYS  32          HZ2       LYS  32  10.731   3.034   3.901
  262   3HZ   LYS  32          HZ3       LYS  32   9.753   1.654   3.767
  263    H    ASP  33           HN       ASP  33   8.847   6.077   7.417
  264    HA   ASP  33           HA       ASP  33  10.905   4.332   8.187
  265   1HB   ASP  33          HB2       ASP  33   7.987   4.261   9.002
  266   2HB   ASP  33          HB3       ASP  33   9.302   3.449   9.845
  267    H    LYS  34           HN       LYS  34   7.638   3.459   7.048
  268    HA   LYS  34           HA       LYS  34   8.755   1.337   5.436
  269   1HB   LYS  34          HB2       LYS  34   7.695  -0.503   6.434
  270   2HB   LYS  34          HB3       LYS  34   8.439   0.364   7.763
  271   1HG   LYS  34          HG2       LYS  34   5.560   0.734   7.030
  272   2HG   LYS  34          HG3       LYS  34   6.104  -0.550   8.106
  273   1HD   LYS  34          HD2       LYS  34   7.102   1.161   9.582
  274   2HD   LYS  34          HD3       LYS  34   6.452   2.417   8.523
  275   1HE   LYS  34          HE2       LYS  34   5.037   2.001  10.513
  276   2HE   LYS  34          HE3       LYS  34   4.191   1.705   8.994
  277   1HZ   LYS  34          HZ1       LYS  34   4.501  -0.649   9.277
  278   2HZ   LYS  34          HZ2       LYS  34   3.793  -0.023  10.688
  279   3HZ   LYS  34          HZ3       LYS  34   5.444  -0.411  10.666
  280    H    ASN  35           HN       ASN  35   6.932   0.155   4.247
  281    HA   ASN  35           HA       ASN  35   4.485   1.577   3.860
  282   1HB   ASN  35          HB2       ASN  35   6.152   3.129   2.769
  283   2HB   ASN  35          HB3       ASN  35   6.525   1.836   1.644
  284   1HD2  ASN  35          HD21      ASN  35   5.088   1.307   0.060
  285   2HD2  ASN  35          HD22      ASN  35   3.730   2.301  -0.351
  286    H    THR  36           HN       THR  36   3.193  -0.081   3.483
  287    HA   THR  36           HA       THR  36   4.128  -2.462   2.146
  288    HB   THR  36           HB       THR  36   1.304  -1.870   3.035
  289    HG1  THR  36           HG1      THR  36   3.290  -3.160   4.626
  290   1HG2  THR  36          HG21      THR  36   2.842  -4.457   2.766
  291   2HG2  THR  36          HG22      THR  36   1.633  -3.858   1.629
  292   3HG2  THR  36          HG23      THR  36   1.159  -4.294   3.271
  293    H    PHE  37           HN       PHE  37   4.244  -2.447  -0.010
  294    HA   PHE  37           HA       PHE  37   2.299  -0.983  -1.613
  295   1HB   PHE  37          HB2       PHE  37   4.645  -2.722  -2.428
  296   2HB   PHE  37          HB3       PHE  37   3.606  -1.852  -3.554
  297    HD1  PHE  37           HD1      PHE  37   6.018  -1.404  -0.781
  298    HD2  PHE  37           HD2      PHE  37   4.022   0.398  -4.082
  299    HE1  PHE  37           HE1      PHE  37   7.494   0.557  -0.604
  300    HE2  PHE  37           HE2      PHE  37   5.497   2.351  -3.913
  301    HZ   PHE  37           HZ       PHE  37   7.238   2.422  -2.182
  302    H    ILE  38           HN       ILE  38   0.862  -1.968  -3.035
  303    HA   ILE  38           HA       ILE  38   0.256  -4.782  -2.391
  304    HB   ILE  38           HB       ILE  38  -1.667  -2.657  -3.359
  305   1HG1  ILE  38          HG12      ILE  38  -1.463  -3.748  -0.549
  306   2HG1  ILE  38          HG13      ILE  38  -0.665  -2.261  -1.054
  307   1HG2  ILE  38          HG21      ILE  38  -2.158  -5.408  -2.220
  308   2HG2  ILE  38          HG22      ILE  38  -3.398  -4.245  -2.691
  309   3HG2  ILE  38          HG23      ILE  38  -2.330  -4.937  -3.912
  310   1HD1  ILE  38          HD11      ILE  38  -3.627  -2.779  -1.130
  311   2HD1  ILE  38          HD12      ILE  38  -2.770  -1.815   0.072
  312   3HD1  ILE  38          HD13      ILE  38  -2.820  -1.286  -1.608
  313    H    TYR  39           HN       TYR  39   0.766  -6.099  -4.032
  314    HA   TYR  39           HA       TYR  39   0.863  -5.151  -6.751
  315   1HB   TYR  39          HB2       TYR  39   2.458  -6.855  -6.116
  316   2HB   TYR  39          HB3       TYR  39   1.167  -7.926  -5.587
  317    HD1  TYR  39           HD1      TYR  39   2.590  -6.270  -8.591
  318    HD2  TYR  39           HD2      TYR  39   0.168  -9.428  -7.096
  319    HE1  TYR  39           HE1      TYR  39   2.525  -7.268 -10.835
  320    HE2  TYR  39           HE2      TYR  39   0.096 -10.438  -9.337
  321    HH   TYR  39           HH       TYR  39   0.362  -9.623 -11.751
  322    H    SER  40           HN       SER  40  -1.093  -4.500  -7.324
  323    HA   SER  40           HA       SER  40  -3.007  -6.341  -8.231
  324   1HB   SER  40          HB2       SER  40  -3.565  -6.561  -5.826
  325   2HB   SER  40          HB3       SER  40  -3.743  -4.816  -5.708
  326    HG   SER  40           HG       SER  40  -5.626  -4.913  -6.693
  327    H    ARG  41           HN       ARG  41  -4.799  -5.177  -9.283
  328    HA   ARG  41           HA       ARG  41  -4.056  -2.582 -10.219
  329   1HB   ARG  41          HB2       ARG  41  -6.706  -4.017 -10.450
  330   2HB   ARG  41          HB3       ARG  41  -6.260  -2.571 -11.319
  331   1HG   ARG  41          HG2       ARG  41  -4.445  -4.848 -11.648
  332   2HG   ARG  41          HG3       ARG  41  -6.071  -5.053 -12.308
  333   1HD   ARG  41          HD2       ARG  41  -5.134  -4.038 -14.082
  334   2HD   ARG  41          HD3       ARG  41  -5.587  -2.598 -13.190
  335    HE   ARG  41           HE       ARG  41  -2.887  -3.697 -12.830
  336   1HH1  ARG  41          HH12      ARG  41  -5.005  -1.127 -13.904
  337   2HH1  ARG  41          HH11      ARG  41  -3.706  -0.047 -14.315
  338   1HH2  ARG  41          HH22      ARG  41  -1.173  -2.286 -13.368
  339   2HH2  ARG  41          HH21      ARG  41  -1.519  -0.697 -13.990
  340    HA   PRO  42           HA       PRO  42  -5.861  -0.074  -7.067
  341   1HB   PRO  42          HB2       PRO  42  -6.975   1.943  -8.553
  342   2HB   PRO  42          HB3       PRO  42  -5.251   1.824  -8.189
  343   1HG   PRO  42          HG2       PRO  42  -6.722   1.059 -10.668
  344   2HG   PRO  42          HG3       PRO  42  -5.139   1.833 -10.502
  345   1HD   PRO  42          HD2       PRO  42  -5.425  -0.802 -11.066
  346   2HD   PRO  42          HD3       PRO  42  -4.064  -0.167 -10.115
  347    H    GLU  43           HN       GLU  43  -7.861  -1.165  -9.737
  348    HA   GLU  43           HA       GLU  43 -10.315  -0.197  -8.698
  349   1HB   GLU  43          HB2       GLU  43  -9.626  -2.219 -10.804
  350   2HB   GLU  43          HB3       GLU  43 -11.283  -1.853 -10.370
  351   1HG   GLU  43          HG2       GLU  43  -9.235   0.033 -11.496
  352   2HG   GLU  43          HG3       GLU  43 -10.685  -0.569 -12.295
  353    HA   PRO  44           HA       PRO  44 -11.013  -4.779  -7.167
  354   1HB   PRO  44          HB2       PRO  44  -8.701  -6.214  -6.783
  355   2HB   PRO  44          HB3       PRO  44  -9.731  -6.355  -8.209
  356   1HG   PRO  44          HG2       PRO  44  -7.215  -4.790  -7.827
  357   2HG   PRO  44          HG3       PRO  44  -7.736  -5.755  -9.222
  358   1HD   PRO  44          HD2       PRO  44  -7.935  -3.073  -9.221
  359   2HD   PRO  44          HD3       PRO  44  -9.148  -4.093  -9.994
  360    H    VAL  45           HN       VAL  45  -8.381  -2.693  -6.286
  361    HA   VAL  45           HA       VAL  45  -8.467  -3.522  -3.493
  362    HB   VAL  45           HB       VAL  45  -6.923  -1.284  -4.825
  363   1HG1  VAL  45          HG11      VAL  45  -5.676  -1.105  -2.742
  364   2HG1  VAL  45          HG12      VAL  45  -7.387  -0.781  -2.475
  365   3HG1  VAL  45          HG13      VAL  45  -6.701  -2.337  -2.007
  366   1HG2  VAL  45          HG21      VAL  45  -6.167  -3.487  -5.519
  367   2HG2  VAL  45          HG22      VAL  45  -4.973  -2.731  -4.464
  368   3HG2  VAL  45          HG23      VAL  45  -6.035  -3.989  -3.833
  369    H    LYS  46           HN       LYS  46  -9.490  -0.853  -5.550
  370    HA   LYS  46           HA       LYS  46 -10.578   0.742  -3.470
  371   1HB   LYS  46          HB2       LYS  46  -9.988   1.561  -5.754
  372   2HB   LYS  46          HB3       LYS  46 -11.359   0.664  -6.391
  373   1HG   LYS  46          HG2       LYS  46 -12.894   2.035  -5.152
  374   2HG   LYS  46          HG3       LYS  46 -11.560   2.861  -4.345
  375   1HD   LYS  46          HD2       LYS  46 -10.794   3.738  -6.487
  376   2HD   LYS  46          HD3       LYS  46 -12.113   2.901  -7.307
  377   1HE   LYS  46          HE2       LYS  46 -12.507   4.963  -5.150
  378   2HE   LYS  46          HE3       LYS  46 -12.518   5.328  -6.871
  379   1HZ   LYS  46          HZ1       LYS  46 -14.356   3.414  -5.537
  380   2HZ   LYS  46          HZ2       LYS  46 -14.397   3.878  -7.166
  381   3HZ   LYS  46          HZ3       LYS  46 -14.753   5.011  -5.956
  382    H    ALA  47           HN       ALA  47 -11.737  -1.924  -5.384
  383    HA   ALA  47           HA       ALA  47 -14.480  -1.752  -4.813
  384   1HB   ALA  47          HB1       ALA  47 -12.853  -4.232  -5.355
  385   2HB   ALA  47          HB2       ALA  47 -14.603  -4.074  -5.505
  386   3HB   ALA  47          HB3       ALA  47 -13.540  -3.170  -6.584
  387    H    ILE  48           HN       ILE  48 -11.812  -2.767  -2.866
  388    HA   ILE  48           HA       ILE  48 -13.188  -4.325  -0.954
  389    HB   ILE  48           HB       ILE  48 -10.795  -2.529  -0.480
  390   1HG1  ILE  48          HG12      ILE  48 -10.839  -5.464  -1.225
  391   2HG1  ILE  48          HG13      ILE  48 -10.542  -4.165  -2.374
  392   1HG2  ILE  48          HG21      ILE  48 -11.836  -3.273   1.583
  393   2HG2  ILE  48          HG22      ILE  48 -11.805  -4.943   1.022
  394   3HG2  ILE  48          HG23      ILE  48 -10.294  -4.097   1.348
  395   1HD1  ILE  48          HD11      ILE  48  -8.567  -3.504  -1.078
  396   2HD1  ILE  48          HD12      ILE  48  -8.852  -4.862   0.011
  397   3HD1  ILE  48          HD13      ILE  48  -8.465  -5.157  -1.684
  398    H    CYS  49           HN       CYS  49 -12.879  -0.915  -1.524
  399    HA   CYS  49           HA       CYS  49 -14.290  -0.280   0.965
  400   1HB   CYS  49          HB2       CYS  49 -12.725   1.427  -0.973
  401   2HB   CYS  49          HB3       CYS  49 -13.573   2.060   0.434
  402    H    LYS  50           HN       LYS  50 -15.288  -1.272  -1.809
  403    HA   LYS  50           HA       LYS  50 -16.923   0.714  -2.926
  404   1HB   LYS  50          HB2       LYS  50 -16.423  -1.401  -4.068
  405   2HB   LYS  50          HB3       LYS  50 -17.334  -2.283  -2.852
  406   1HG   LYS  50          HG2       LYS  50 -19.387  -1.247  -3.567
  407   2HG   LYS  50          HG3       LYS  50 -18.512  -0.223  -4.706
  408   1HD   LYS  50          HD2       LYS  50 -19.516  -2.068  -5.898
  409   2HD   LYS  50          HD3       LYS  50 -17.763  -2.255  -5.902
  410   1HE   LYS  50          HE2       LYS  50 -18.755  -4.392  -5.468
  411   2HE   LYS  50          HE3       LYS  50 -17.981  -3.824  -3.990
  412   1HZ   LYS  50          HZ1       LYS  50 -20.174  -4.796  -3.582
  413   2HZ   LYS  50          HZ2       LYS  50 -20.890  -3.624  -4.574
  414   3HZ   LYS  50          HZ3       LYS  50 -20.127  -3.161  -3.133
  415    H    GLY  51           HN       GLY  51 -18.532   1.772  -2.038
  416   1HA   GLY  51          HA1       GLY  51 -20.714   1.890  -1.172
  417   2HA   GLY  51          HA2       GLY  51 -20.486   0.316  -0.432
  418    H    ILE  52           HN       ILE  52 -17.739   1.956   0.293
  419    HA   ILE  52           HA       ILE  52 -18.840   2.701   2.915
  420    HB   ILE  52           HB       ILE  52 -15.912   2.371   2.305
  421   1HG1  ILE  52          HG12      ILE  52 -17.003   0.266   1.680
  422   2HG1  ILE  52          HG13      ILE  52 -16.069   0.064   3.158
  423   1HG2  ILE  52          HG21      ILE  52 -15.765   1.964   4.718
  424   2HG2  ILE  52          HG22      ILE  52 -16.488   3.535   4.363
  425   3HG2  ILE  52          HG23      ILE  52 -17.510   2.185   4.857
  426   1HD1  ILE  52          HD11      ILE  52 -19.050   0.411   2.983
  427   2HD1  ILE  52          HD12      ILE  52 -18.188  -1.098   3.288
  428   3HD1  ILE  52          HD13      ILE  52 -18.122   0.212   4.469
  429    H    ILE  53           HN       ILE  53 -19.518   4.801   2.536
  430    HA   ILE  53           HA       ILE  53 -17.750   6.703   1.273
  431    HB   ILE  53           HB       ILE  53 -20.525   6.922   2.431
  432   1HG1  ILE  53          HG12      ILE  53 -21.109   7.494   0.103
  433   2HG1  ILE  53          HG13      ILE  53 -19.437   7.269  -0.374
  434   1HG2  ILE  53          HG21      ILE  53 -20.581   9.248   1.689
  435   2HG2  ILE  53          HG22      ILE  53 -19.357   9.001   2.934
  436   3HG2  ILE  53          HG23      ILE  53 -18.876   9.150   1.243
  437   1HD1  ILE  53          HD11      ILE  53 -19.606   4.909   0.242
  438   2HD1  ILE  53          HD12      ILE  53 -21.301   5.153   0.673
  439   3HD1  ILE  53          HD13      ILE  53 -20.775   5.361  -1.000
  440    H    ALA  54           HN       ALA  54 -19.160   6.197   4.495
  441    HA   ALA  54           HA       ALA  54 -17.573   8.347   5.616
  442   1HB   ALA  54          HB1       ALA  54 -19.363   6.325   6.964
  443   2HB   ALA  54          HB2       ALA  54 -18.638   7.735   7.734
  444   3HB   ALA  54          HB3       ALA  54 -19.832   7.945   6.453
  445    H    SER  55           HN       SER  55 -15.767   8.136   6.856
  446    HA   SER  55           HA       SER  55 -13.939   6.215   6.173
  447   1HB   SER  55          HB2       SER  55 -12.678   7.033   8.250
  448   2HB   SER  55          HB3       SER  55 -13.116   8.241   7.042
  449    HG   SER  55           HG       SER  55 -13.845   9.183   8.815
  450    H    LYS  56           HN       LYS  56 -13.975   4.128   6.494
  451    HA   LYS  56           HA       LYS  56 -14.409   3.091   9.204
  452   1HB   LYS  56          HB2       LYS  56 -16.532   2.861   7.947
  453   2HB   LYS  56          HB3       LYS  56 -15.683   1.954   6.704
  454   1HG   LYS  56          HG2       LYS  56 -15.102   0.263   8.444
  455   2HG   LYS  56          HG3       LYS  56 -16.157   1.136   9.557
  456   1HD   LYS  56          HD2       LYS  56 -18.026   0.822   7.957
  457   2HD   LYS  56          HD3       LYS  56 -16.957  -0.154   6.949
  458   1HE   LYS  56          HE2       LYS  56 -18.253  -1.653   8.264
  459   2HE   LYS  56          HE3       LYS  56 -16.617  -1.656   8.925
  460   1HZ   LYS  56          HZ1       LYS  56 -17.384  -0.080  10.632
  461   2HZ   LYS  56          HZ2       LYS  56 -18.214  -1.557  10.699
  462   3HZ   LYS  56          HZ3       LYS  56 -18.962  -0.195  10.018
  463    H    ASN  57           HN       ASN  57 -12.884   1.641   9.755
  464    HA   ASN  57           HA       ASN  57 -10.921   0.834   7.802
  465   1HB   ASN  57          HB2       ASN  57  -9.831  -0.317   9.757
  466   2HB   ASN  57          HB3       ASN  57 -10.012   1.434   9.915
  467   1HD2  ASN  57          HD21      ASN  57  -9.686  -0.686  11.894
  468   2HD2  ASN  57          HD22      ASN  57 -11.017  -0.526  12.975
  469    H    VAL  58           HN       VAL  58 -11.096  -0.915   6.595
  470    HA   VAL  58           HA       VAL  58 -12.680  -3.149   7.667
  471    HB   VAL  58           HB       VAL  58 -13.592  -3.622   5.529
  472   1HG1  VAL  58          HG11      VAL  58 -13.744  -0.657   5.988
  473   2HG1  VAL  58          HG12      VAL  58 -14.857  -1.601   4.999
  474   3HG1  VAL  58          HG13      VAL  58 -14.761  -1.888   6.737
  475   1HG2  VAL  58          HG21      VAL  58 -13.079  -2.326   3.511
  476   2HG2  VAL  58          HG22      VAL  58 -11.826  -1.466   4.409
  477   3HG2  VAL  58          HG23      VAL  58 -11.677  -3.202   4.133
  478    H    LEU  59           HN       LEU  59 -11.803  -5.105   7.596
  479    HA   LEU  59           HA       LEU  59  -9.094  -5.395   6.563
  480   1HB   LEU  59          HB2       LEU  59  -9.685  -6.033   8.894
  481   2HB   LEU  59          HB3       LEU  59 -10.788  -7.226   8.265
  482    HG   LEU  59           HG       LEU  59  -8.470  -7.956   9.139
  483   1HD1  LEU  59          HD11      LEU  59 -10.074  -9.428   8.035
  484   2HD1  LEU  59          HD12      LEU  59  -9.430  -8.939   6.468
  485   3HD1  LEU  59          HD13      LEU  59  -8.407  -9.818   7.608
  486   1HD2  LEU  59          HD21      LEU  59  -6.725  -8.022   7.439
  487   2HD2  LEU  59          HD22      LEU  59  -7.731  -7.039   6.374
  488   3HD2  LEU  59          HD23      LEU  59  -7.138  -6.367   7.893
  489    H    THR  60           HN       THR  60  -8.576  -6.785   4.893
  490    HA   THR  60           HA       THR  60 -10.694  -7.255   3.038
  491    HB   THR  60           HB       THR  60  -8.934  -8.200   1.565
  492    HG1  THR  60           HG1      THR  60  -7.146  -8.874   2.443
  493   1HG2  THR  60          HG21      THR  60  -8.235  -5.577   2.882
  494   2HG2  THR  60          HG22      THR  60  -9.362  -5.806   1.544
  495   3HG2  THR  60          HG23      THR  60  -7.641  -6.123   1.315
  496    H    THR  61           HN       THR  61 -11.322  -9.193   2.087
  497    HA   THR  61           HA       THR  61 -11.643 -11.340   3.944
  498    HB   THR  61           HB       THR  61 -12.849 -12.371   1.945
  499    HG1  THR  61           HG1      THR  61 -12.533 -11.389   0.089
  500   1HG2  THR  61          HG21      THR  61 -13.681  -9.624   2.896
  501   2HG2  THR  61          HG22      THR  61 -14.027 -11.152   3.709
  502   3HG2  THR  61          HG23      THR  61 -14.747 -10.807   2.135
  503    H    SER  62           HN       SER  62  -9.444 -10.594   1.441
  504    HA   SER  62           HA       SER  62  -8.406 -13.338   1.420
  505   1HB   SER  62          HB2       SER  62  -7.878 -12.895  -1.042
  506   2HB   SER  62          HB3       SER  62  -9.577 -13.150  -0.640
  507    HG   SER  62           HG       SER  62  -9.698 -11.337  -1.778
  508    H    GLU  63           HN       GLU  63  -6.154 -13.519   0.881
  509    HA   GLU  63           HA       GLU  63  -4.595 -11.260   1.783
  510   1HB   GLU  63          HB2       GLU  63  -3.543 -13.928   0.848
  511   2HB   GLU  63          HB3       GLU  63  -2.729 -12.745   1.846
  512   1HG   GLU  63          HG2       GLU  63  -3.323 -14.310   3.393
  513   2HG   GLU  63          HG3       GLU  63  -4.658 -13.174   3.517
  514    H    PHE  64           HN       PHE  64  -3.548  -9.901   0.521
  515    HA   PHE  64           HA       PHE  64  -3.482 -10.454  -2.359
  516   1HB   PHE  64          HB2       PHE  64  -3.318  -7.890  -0.790
  517   2HB   PHE  64          HB3       PHE  64  -2.937  -7.969  -2.502
  518    HD1  PHE  64           HD1      PHE  64  -4.611  -7.741  -4.085
  519    HD2  PHE  64           HD2      PHE  64  -5.663  -8.711  -0.075
  520    HE1  PHE  64           HE1      PHE  64  -6.990  -7.451  -4.640
  521    HE2  PHE  64           HE2      PHE  64  -8.042  -8.421  -0.626
  522    HZ   PHE  64           HZ       PHE  64  -8.708  -7.791  -2.911
  523    H    TYR  65           HN       TYR  65  -1.539  -9.530  -3.494
  524    HA   TYR  65           HA       TYR  65   0.790 -10.660  -2.203
  525   1HB   TYR  65          HB2       TYR  65   0.516  -9.449  -4.963
  526   2HB   TYR  65          HB3       TYR  65   1.862 -10.427  -4.378
  527    HD1  TYR  65           HD1      TYR  65  -1.297 -10.464  -6.008
  528    HD2  TYR  65           HD2      TYR  65   1.316 -12.838  -3.636
  529    HE1  TYR  65           HE1      TYR  65  -2.436 -12.491  -6.801
  530    HE2  TYR  65           HE2      TYR  65   0.180 -14.877  -4.417
  531    HH   TYR  65           HH       TYR  65  -1.866 -14.931  -7.070
  532    H    LEU  66           HN       LEU  66   1.667  -9.385  -0.734
  533    HA   LEU  66           HA       LEU  66   1.675  -6.492  -1.182
  534   1HB   LEU  66          HB2       LEU  66   2.164  -8.039   1.359
  535   2HB   LEU  66          HB3       LEU  66   1.974  -6.301   1.217
  536    HG   LEU  66           HG       LEU  66  -0.173  -8.335   0.627
  537   1HD1  LEU  66          HD11      LEU  66  -1.220  -7.480   2.674
  538   2HD1  LEU  66          HD12      LEU  66   0.337  -8.244   2.997
  539   3HD1  LEU  66          HD13      LEU  66   0.206  -6.485   2.975
  540   1HD2  LEU  66          HD21      LEU  66  -0.409  -6.329  -0.722
  541   2HD2  LEU  66          HD22      LEU  66  -1.657  -6.389   0.523
  542   3HD2  LEU  66          HD23      LEU  66  -0.266  -5.323   0.720
  543    H    SER  67           HN       SER  67   3.532  -5.272  -0.917
  544    HA   SER  67           HA       SER  67   6.033  -6.743  -0.429
  545   1HB   SER  67          HB2       SER  67   5.657  -4.415  -2.339
  546   2HB   SER  67          HB3       SER  67   7.165  -5.276  -2.034
  547    HG   SER  67           HG       SER  67   6.486  -6.369  -3.728
  548    H    ASP  68           HN       ASP  68   6.614  -6.139   1.541
  549    HA   ASP  68           HA       ASP  68   6.013  -3.456   2.516
  550   1HB   ASP  68          HB2       ASP  68   7.030  -5.968   3.837
  551   2HB   ASP  68          HB3       ASP  68   7.079  -4.413   4.658
  552    H    CYS  69           HN       CYS  69   7.465  -1.921   2.016
  553    HA   CYS  69           HA       CYS  69  10.288  -2.714   2.108
  554   1HB   CYS  69          HB2       CYS  69   8.880  -0.382   0.829
  555   2HB   CYS  69          HB3       CYS  69  10.630  -0.421   1.025
  556    H    ASN  70           HN       ASN  70  11.330  -2.354   3.844
  557    HA   ASN  70           HA       ASN  70  10.327  -0.342   5.763
  558   1HB   ASN  70          HB2       ASN  70  11.669  -2.993   6.371
  559   2HB   ASN  70          HB3       ASN  70  11.023  -1.857   7.546
  560   1HD2  ASN  70          HD21      ASN  70  10.406  -4.690   6.989
  561   2HD2  ASN  70          HD22      ASN  70   8.690  -4.730   6.742
  562    H    VAL  71           HN       VAL  71  11.930   0.573   7.162
  563    HA   VAL  71           HA       VAL  71  14.437   1.049   5.830
  564    HB   VAL  71           HB       VAL  71  13.160   2.817   7.047
  565   1HG1  VAL  71          HG11      VAL  71  13.405   2.971   9.493
  566   2HG1  VAL  71          HG12      VAL  71  12.426   1.595   8.978
  567   3HG1  VAL  71          HG13      VAL  71  14.095   1.346   9.499
  568   1HG2  VAL  71          HG21      VAL  71  15.994   2.341   7.966
  569   2HG2  VAL  71          HG22      VAL  71  15.492   3.160   6.487
  570   3HG2  VAL  71          HG23      VAL  71  15.136   3.879   8.058
  571    H    THR  72           HN       THR  72  16.352   0.268   6.288
  572    HA   THR  72           HA       THR  72  16.398  -2.158   7.869
  573    HB   THR  72           HB       THR  72  18.685  -2.410   6.828
  574    HG1  THR  72           HG1      THR  72  17.868  -0.205   5.222
  575   1HG2  THR  72          HG21      THR  72  16.711  -3.463   5.838
  576   2HG2  THR  72          HG22      THR  72  17.828  -2.912   4.587
  577   3HG2  THR  72          HG23      THR  72  16.367  -1.986   4.937
  578    H    SER  73           HN       SER  73  19.335  -1.912   8.121
  579    HA   SER  73           HA       SER  73  19.389  -0.592  10.696
  580   1HB   SER  73          HB2       SER  73  20.434  -2.809  10.430
  581   2HB   SER  73          HB3       SER  73  21.549  -2.115   9.265
  582    HG   SER  73           HG       SER  73  22.222  -0.674  10.991
  583    H    ARG  74           HN       ARG  74  19.888   0.266   7.534
  584    HA   ARG  74           HA       ARG  74  21.647   2.460   8.330
  585   1HB   ARG  74          HB2       ARG  74  22.809   1.288   6.657
  586   2HB   ARG  74          HB3       ARG  74  21.344   0.978   5.733
  587   1HG   ARG  74          HG2       ARG  74  21.202   3.282   5.108
  588   2HG   ARG  74          HG3       ARG  74  22.604   3.681   6.103
  589   1HD   ARG  74          HD2       ARG  74  24.018   2.285   4.708
  590   2HD   ARG  74          HD3       ARG  74  22.622   1.791   3.750
  591    HE   ARG  74           HE       ARG  74  22.543   4.447   3.465
  592   1HH1  ARG  74          HH12      ARG  74  25.217   2.200   3.196
  593   2HH1  ARG  74          HH11      ARG  74  26.064   3.156   2.014
  594   1HH2  ARG  74          HH22      ARG  74  23.632   5.699   1.934
  595   2HH2  ARG  74          HH21      ARG  74  25.143   5.156   1.280
  596    HA   PRO  75           HA       PRO  75  18.096   5.016   7.956
  597   1HB   PRO  75          HB2       PRO  75  19.386   7.389   7.403
  598   2HB   PRO  75          HB3       PRO  75  19.153   6.720   9.021
  599   1HG   PRO  75          HG2       PRO  75  21.553   6.629   7.257
  600   2HG   PRO  75          HG3       PRO  75  21.460   6.816   9.017
  601   1HD   PRO  75          HD2       PRO  75  22.130   4.475   7.849
  602   2HD   PRO  75          HD3       PRO  75  21.220   4.544   9.368
  603    H    CYS  76           HN       CYS  76  16.756   5.256   6.354
  604    HA   CYS  76           HA       CYS  76  15.832   5.638   4.339
  605   1HB   CYS  76          HB2       CYS  76  18.428   7.065   3.728
  606   2HB   CYS  76          HB3       CYS  76  16.972   7.145   2.740
  607    H    LYS  77           HN       LYS  77  17.841   3.330   4.864
  608    HA   LYS  77           HA       LYS  77  18.001   2.491   2.050
  609   1HB   LYS  77          HB2       LYS  77  20.102   2.251   3.268
  610   2HB   LYS  77          HB3       LYS  77  19.297   1.306   4.516
  611   1HG   LYS  77          HG2       LYS  77  20.583  -0.085   2.958
  612   2HG   LYS  77          HG3       LYS  77  18.861  -0.473   2.943
  613   1HD   LYS  77          HD2       LYS  77  18.611   0.959   0.928
  614   2HD   LYS  77          HD3       LYS  77  20.359   1.188   0.918
  615   1HE   LYS  77          HE2       LYS  77  18.989  -1.493   0.743
  616   2HE   LYS  77          HE3       LYS  77  19.548  -0.570  -0.651
  617   1HZ   LYS  77          HZ1       LYS  77  21.178  -2.202  -0.067
  618   2HZ   LYS  77          HZ2       LYS  77  21.237  -1.662   1.535
  619   3HZ   LYS  77          HZ3       LYS  77  21.808  -0.668   0.289
  620    H    TYR  78           HN       TYR  78  16.672   0.909   1.303
  621    HA   TYR  78           HA       TYR  78  14.598   0.077   3.207
  622   1HB   TYR  78          HB2       TYR  78  14.216   0.115   0.228
  623   2HB   TYR  78          HB3       TYR  78  13.028   0.357   1.513
  624    HD1  TYR  78           HD1      TYR  78  13.100   2.542   2.824
  625    HD2  TYR  78           HD2      TYR  78  15.299   1.931  -0.765
  626    HE1  TYR  78           HE1      TYR  78  13.368   4.974   2.575
  627    HE2  TYR  78           HE2      TYR  78  15.567   4.357  -1.025
  628    HH   TYR  78           HH       TYR  78  14.625   6.399  -0.316
  629    H    LYS  79           HN       LYS  79  13.923  -1.983   3.321
  630    HA   LYS  79           HA       LYS  79  15.276  -3.981   1.635
  631   1HB   LYS  79          HB2       LYS  79  15.790  -4.335   3.963
  632   2HB   LYS  79          HB3       LYS  79  14.098  -4.194   4.413
  633   1HG   LYS  79          HG2       LYS  79  14.703  -6.491   4.506
  634   2HG   LYS  79          HG3       LYS  79  13.645  -6.267   3.114
  635   1HD   LYS  79          HD2       LYS  79  15.443  -7.715   2.472
  636   2HD   LYS  79          HD3       LYS  79  15.674  -6.159   1.673
  637   1HE   LYS  79          HE2       LYS  79  17.356  -5.528   3.271
  638   2HE   LYS  79          HE3       LYS  79  17.039  -6.968   4.237
  639   1HZ   LYS  79          HZ1       LYS  79  18.989  -7.351   2.965
  640   2HZ   LYS  79          HZ2       LYS  79  18.245  -6.858   1.524
  641   3HZ   LYS  79          HZ3       LYS  79  17.761  -8.300   2.282
  642    H    LEU  80           HN       LEU  80  14.060  -5.213   0.323
  643    HA   LEU  80           HA       LEU  80  11.214  -4.691   0.179
  644   1HB   LEU  80          HB2       LEU  80  13.225  -5.474  -1.638
  645   2HB   LEU  80          HB3       LEU  80  12.086  -6.793  -1.565
  646    HG   LEU  80           HG       LEU  80  11.368  -3.955  -2.178
  647   1HD1  LEU  80          HD11      LEU  80  12.710  -4.885  -3.961
  648   2HD1  LEU  80          HD12      LEU  80  11.698  -6.331  -3.997
  649   3HD1  LEU  80          HD13      LEU  80  11.027  -4.771  -4.476
  650   1HD2  LEU  80          HD21      LEU  80   9.566  -5.228  -1.123
  651   2HD2  LEU  80          HD22      LEU  80   9.201  -4.846  -2.806
  652   3HD2  LEU  80          HD23      LEU  80   9.730  -6.469  -2.363
  653    H    LYS  81           HN       LYS  81   9.649  -5.969   0.892
  654    HA   LYS  81           HA       LYS  81  10.317  -8.704   1.752
  655   1HB   LYS  81          HB2       LYS  81  10.171  -7.321   3.737
  656   2HB   LYS  81          HB3       LYS  81   8.641  -6.645   3.206
  657   1HG   LYS  81          HG2       LYS  81   7.605  -8.867   3.440
  658   2HG   LYS  81          HG3       LYS  81   9.144  -9.496   4.039
  659   1HD   LYS  81          HD2       LYS  81   9.074  -7.932   5.907
  660   2HD   LYS  81          HD3       LYS  81   7.561  -7.257   5.302
  661   1HE   LYS  81          HE2       LYS  81   7.950 -10.127   6.140
  662   2HE   LYS  81          HE3       LYS  81   7.272  -8.869   7.170
  663   1HZ   LYS  81          HZ1       LYS  81   5.564 -10.222   6.101
  664   2HZ   LYS  81          HZ2       LYS  81   6.122  -9.753   4.574
  665   3HZ   LYS  81          HZ3       LYS  81   5.454  -8.599   5.626
  666    H    LYS  82           HN       LYS  82   9.340  -9.869   0.195
  667    HA   LYS  82           HA       LYS  82   6.719  -9.041  -0.784
  668   1HB   LYS  82          HB2       LYS  82   8.592 -11.238  -1.689
  669   2HB   LYS  82          HB3       LYS  82   7.093 -10.783  -2.496
  670   1HG   LYS  82          HG2       LYS  82   7.953  -8.670  -3.109
  671   2HG   LYS  82          HG3       LYS  82   9.343  -8.848  -2.038
  672   1HD   LYS  82          HD2       LYS  82  10.182 -10.675  -3.428
  673   2HD   LYS  82          HD3       LYS  82   8.785 -10.506  -4.492
  674   1HE   LYS  82          HE2       LYS  82   9.466  -8.263  -5.086
  675   2HE   LYS  82          HE3       LYS  82  10.807  -8.339  -3.946
  676   1HZ   LYS  82          HZ1       LYS  82  10.482  -9.977  -6.406
  677   2HZ   LYS  82          HZ2       LYS  82  11.730 -10.173  -5.278
  678   3HZ   LYS  82          HZ3       LYS  82  11.606  -8.729  -6.155
  679    H    SER  83           HN       SER  83   4.968  -9.785   0.174
  680    HA   SER  83           HA       SER  83   4.920 -12.527   1.200
  681   1HB   SER  83          HB2       SER  83   3.993 -10.148   2.827
  682   2HB   SER  83          HB3       SER  83   4.045 -11.833   3.344
  683    HG   SER  83           HG       SER  83   6.460 -11.403   2.643
  684    H    THR  84           HN       THR  84   2.580 -13.025   1.971
  685    HA   THR  84           HA       THR  84   0.605 -11.509   0.399
  686    HB   THR  84           HB       THR  84   0.578 -14.527   0.588
  687    HG1  THR  84           HG1      THR  84   2.055 -12.874  -0.998
  688   1HG2  THR  84          HG21      THR  84  -0.924 -12.588  -1.175
  689   2HG2  THR  84          HG22      THR  84  -1.597 -13.494   0.179
  690   3HG2  THR  84          HG23      THR  84  -1.032 -14.347  -1.258
  691    H    ASN  85           HN       ASN  85  -0.799 -10.699   1.797
  692    HA   ASN  85           HA       ASN  85  -1.942 -12.327   3.890
  693   1HB   ASN  85          HB2       ASN  85   0.251 -11.035   4.701
  694   2HB   ASN  85          HB3       ASN  85  -0.904  -9.726   4.826
  695   1HD2  ASN  85          HD21      ASN  85   0.536 -11.091   6.937
  696   2HD2  ASN  85          HD22      ASN  85  -0.671 -11.720   8.009
  697    H    LYS  86           HN       LYS  86  -3.831 -11.304   4.842
  698    HA   LYS  86           HA       LYS  86  -5.229  -9.518   3.114
  699   1HB   LYS  86          HB2       LYS  86  -5.934 -10.050   5.994
  700   2HB   LYS  86          HB3       LYS  86  -7.015  -9.709   4.651
  701   1HG   LYS  86          HG2       LYS  86  -6.453 -11.918   3.686
  702   2HG   LYS  86          HG3       LYS  86  -5.471 -12.254   5.114
  703   1HD   LYS  86          HD2       LYS  86  -7.550 -11.793   6.475
  704   2HD   LYS  86          HD3       LYS  86  -8.429 -11.813   4.955
  705   1HE   LYS  86          HE2       LYS  86  -6.680 -14.090   5.806
  706   2HE   LYS  86          HE3       LYS  86  -8.367 -13.980   6.303
  707   1HZ   LYS  86          HZ1       LYS  86  -7.354 -14.116   3.508
  708   2HZ   LYS  86          HZ2       LYS  86  -8.984 -13.931   3.944
  709   3HZ   LYS  86          HZ3       LYS  86  -8.153 -15.349   4.351
  710    H    PHE  87           HN       PHE  87  -6.123  -7.378   4.068
  711    HA   PHE  87           HA       PHE  87  -4.445  -6.168   6.079
  712   1HB   PHE  87          HB2       PHE  87  -3.672  -4.312   4.630
  713   2HB   PHE  87          HB3       PHE  87  -2.989  -5.871   4.189
  714    HD1  PHE  87           HD1      PHE  87  -3.841  -7.048   2.154
  715    HD2  PHE  87           HD2      PHE  87  -4.977  -3.061   3.108
  716    HE1  PHE  87           HE1      PHE  87  -4.612  -6.716  -0.159
  717    HE2  PHE  87           HE2      PHE  87  -5.743  -2.729   0.798
  718    HZ   PHE  87           HZ       PHE  87  -5.504  -4.558  -0.864
  719    H    CYS  88           HN       CYS  88  -5.221  -4.196   6.869
  720    HA   CYS  88           HA       CYS  88  -8.037  -3.733   6.207
  721   1HB   CYS  88          HB2       CYS  88  -7.605  -4.129   8.552
  722   2HB   CYS  88          HB3       CYS  88  -6.364  -2.880   8.578
  723    H    VAL  89           HN       VAL  89  -8.517  -2.103   4.934
  724    HA   VAL  89           HA       VAL  89  -6.719   0.222   4.868
  725    HB   VAL  89           HB       VAL  89  -7.962   0.799   2.721
  726   1HG1  VAL  89          HG11      VAL  89  -6.263  -1.692   2.834
  727   2HG1  VAL  89          HG12      VAL  89  -6.627  -0.786   1.363
  728   3HG1  VAL  89          HG13      VAL  89  -5.703  -0.029   2.659
  729   1HG2  VAL  89          HG21      VAL  89  -9.888  -0.668   3.027
  730   2HG2  VAL  89          HG22      VAL  89  -9.039  -1.064   1.532
  731   3HG2  VAL  89          HG23      VAL  89  -8.838  -2.082   2.959
  732    H    THR  90           HN       THR  90  -7.556   2.263   5.203
  733    HA   THR  90           HA       THR  90 -10.107   2.353   6.566
  734    HB   THR  90           HB       THR  90  -8.334   4.699   5.854
  735    HG1  THR  90           HG1      THR  90  -7.913   2.650   7.625
  736   1HG2  THR  90          HG21      THR  90  -9.385   5.727   7.818
  737   2HG2  THR  90          HG22      THR  90 -10.360   4.277   8.058
  738   3HG2  THR  90          HG23      THR  90 -10.589   5.265   6.616
  739    H    CYS  91           HN       CYS  91 -11.845   2.283   5.275
  740    HA   CYS  91           HA       CYS  91 -11.713   3.356   2.587
  741   1HB   CYS  91          HB2       CYS  91 -13.936   1.949   4.068
  742   2HB   CYS  91          HB3       CYS  91 -13.924   2.320   2.343
  743    H    GLU  92           HN       GLU  92 -12.409   5.279   1.970
  744    HA   GLU  92           HA       GLU  92 -14.688   6.492   3.298
  745   1HB   GLU  92          HB2       GLU  92 -12.611   7.344   4.445
  746   2HB   GLU  92          HB3       GLU  92 -12.142   8.050   2.908
  747   1HG   GLU  92          HG2       GLU  92 -14.128   9.442   2.913
  748   2HG   GLU  92          HG3       GLU  92 -14.653   8.704   4.422
  749    H    ASN  93           HN       ASN  93 -15.941   7.618   1.909
  750    HA   ASN  93           HA       ASN  93 -16.885   8.167  -0.077
  751   1HB   ASN  93          HB2       ASN  93 -14.054   9.038  -0.716
  752   2HB   ASN  93          HB3       ASN  93 -15.465   9.441  -1.689
  753   1HD2  ASN  93          HD21      ASN  93 -13.636  10.159   1.117
  754   2HD2  ASN  93          HD22      ASN  93 -14.574  11.511   1.650
  755    H    GLN  94           HN       GLN  94 -15.917   5.483   0.264
  756    HA   GLN  94           HA       GLN  94 -15.907   3.541  -0.879
  757   1HB   GLN  94          HB2       GLN  94 -16.606   5.304  -3.223
  758   2HB   GLN  94          HB3       GLN  94 -16.567   3.545  -3.287
  759   1HG   GLN  94          HG2       GLN  94 -18.245   3.542  -1.422
  760   2HG   GLN  94          HG3       GLN  94 -18.384   5.285  -1.646
  761   1HE2  GLN  94          HE21      GLN  94 -17.833   3.121  -4.299
  762   2HE2  GLN  94          HE22      GLN  94 -19.404   3.272  -5.008
  763    H    ALA  95           HN       ALA  95 -13.511   5.167  -0.553
  764    HA   ALA  95           HA       ALA  95 -11.858   3.606  -2.382
  765   1HB   ALA  95          HB1       ALA  95 -12.103   5.792  -3.464
  766   2HB   ALA  95          HB2       ALA  95 -11.501   6.580  -2.006
  767   3HB   ALA  95          HB3       ALA  95 -10.443   5.515  -2.934
  768    HA   PRO  96           HA       PRO  96  -9.451   3.031   1.373
  769   1HB   PRO  96          HB2       PRO  96  -7.279   2.360  -0.492
  770   2HB   PRO  96          HB3       PRO  96  -8.010   1.371   0.775
  771   1HG   PRO  96          HG2       PRO  96  -8.413   0.918  -1.867
  772   2HG   PRO  96          HG3       PRO  96  -9.615   0.539  -0.630
  773   1HD   PRO  96          HD2       PRO  96  -9.551   2.774  -2.576
  774   2HD   PRO  96          HD3       PRO  96 -10.938   1.920  -1.883
  775    H    VAL  97           HN       VAL  97  -9.017   5.060   2.150
  776    HA   VAL  97           HA       VAL  97  -7.177   6.739   0.594
  777    HB   VAL  97           HB       VAL  97  -8.028   8.631   1.956
  778   1HG1  VAL  97          HG11      VAL  97 -10.152   7.032   0.531
  779   2HG1  VAL  97          HG12      VAL  97 -10.220   8.760   0.882
  780   3HG1  VAL  97          HG13      VAL  97  -9.000   8.133  -0.226
  781   1HG2  VAL  97          HG21      VAL  97  -9.976   6.586   3.004
  782   2HG2  VAL  97          HG22      VAL  97  -8.680   7.344   3.931
  783   3HG2  VAL  97          HG23      VAL  97 -10.019   8.320   3.323
  784    H    HIS  98           HN       HIS  98  -7.398   4.933   3.482
  785    HA   HIS  98           HA       HIS  98  -4.766   5.932   4.278
  786   1HB   HIS  98          HB2       HIS  98  -7.097   5.637   6.193
  787   2HB   HIS  98          HB3       HIS  98  -5.435   5.940   6.671
  788    HD1  HIS  98           HD1      HIS  98  -4.427   8.279   5.579
  789    HD2  HIS  98           HD2      HIS  98  -8.553   7.887   5.885
  790    HE1  HIS  98           HE1      HIS  98  -5.350  10.614   5.381
  791    HE2  HIS  98           HE2      HIS  98  -7.850  10.297   5.267
  792    H    PHE  99           HN       PHE  99  -3.600   4.405   5.659
  793    HA   PHE  99           HA       PHE  99  -4.547   1.660   5.163
  794   1HB   PHE  99          HB2       PHE  99  -2.495   2.363   3.895
  795   2HB   PHE  99          HB3       PHE  99  -1.669   2.549   5.439
  796    HD1  PHE  99           HD1      PHE  99  -0.491   0.779   6.299
  797    HD2  PHE  99           HD2      PHE  99  -3.594   0.017   3.488
  798    HE1  PHE  99           HE1      PHE  99   0.123  -1.601   6.278
  799    HE2  PHE  99           HE2      PHE  99  -2.988  -2.367   3.463
  800    HZ   PHE  99           HZ       PHE  99  -1.162  -3.188   4.821
  801    H    VAL 100           HN       VAL 100  -4.754   0.311   6.843
  802    HA   VAL 100           HA       VAL 100  -4.138   1.373   9.498
  803    HB   VAL 100           HB       VAL 100  -5.863  -0.958   8.649
  804   1HG1  VAL 100          HG11      VAL 100  -4.925  -1.477  10.797
  805   2HG1  VAL 100          HG12      VAL 100  -5.317   0.134  11.406
  806   3HG1  VAL 100          HG13      VAL 100  -6.610  -1.001  11.014
  807   1HG2  VAL 100          HG21      VAL 100  -6.561   1.767   9.736
  808   2HG2  VAL 100          HG22      VAL 100  -6.852   1.184   8.098
  809   3HG2  VAL 100          HG23      VAL 100  -7.714   0.463   9.458
  810    H    GLY 101           HN       GLY 101  -4.096  -1.937   8.140
  811   1HA   GLY 101          HA1       GLY 101  -1.328  -2.341   8.419
  812   2HA   GLY 101          HA2       GLY 101  -2.121  -2.912   9.881
  813    H    VAL 102           HN       VAL 102  -0.816  -4.796   8.538
  814    HA   VAL 102           HA       VAL 102  -2.762  -6.048   6.740
  815    HB   VAL 102           HB       VAL 102  -1.107  -7.281   5.761
  816   1HG1  VAL 102          HG11      VAL 102  -0.745  -4.951   5.256
  817   2HG1  VAL 102          HG12      VAL 102   0.322  -4.791   6.653
  818   3HG1  VAL 102          HG13      VAL 102   0.795  -5.812   5.295
  819   1HG2  VAL 102          HG21      VAL 102  -0.244  -8.314   7.813
  820   2HG2  VAL 102          HG22      VAL 102   1.046  -7.864   6.698
  821   3HG2  VAL 102          HG23      VAL 102   0.720  -6.870   8.121
  822    H    GLY 103           HN       GLY 103  -3.237  -8.293   6.948
  823   1HA   GLY 103          HA1       GLY 103  -3.395 -10.305   8.176
  824   2HA   GLY 103          HA2       GLY 103  -2.775  -9.470   9.593
  825    H    SER 104           HN       SER 104  -4.251  -7.678  10.390
  826    HA   SER 104           HA       SER 104  -7.087  -8.168   9.958
  827   1HB   SER 104          HB2       SER 104  -7.403  -8.275  12.486
  828   2HB   SER 104          HB3       SER 104  -6.701  -9.710  11.743
  829    HG   SER 104           HG       SER 104  -5.705  -8.601  13.755
  830    H    CYS 105           HN       CYS 105  -8.298  -6.585  11.574
  831    HA   CYS 105           HA       CYS 105  -6.834  -4.026  11.546
  832   1HB   CYS 105          HB2       CYS 105  -8.777  -4.368   9.828
  833   2HB   CYS 105          HB3       CYS 105  -9.819  -4.154  11.225