NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16357 |
1zzv   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid "FecA" and resid 32 and name HN ))
(( segid "FecA" and resid 31 and name HN ))
2.400 0.700 0.700 peak 1 spectrum 1 weight 0.11000E+01 volume 0.63563E-02 ppm1 7.139 ppm2 8.062 CV 1
ASSI { 2}
(( segid "FecA" and resid 32 and name HN ))
(( segid "FecA" and resid 32 and name HA ))
2.700 0.900 0.900 peak 2 spectrum 1 weight 0.11000E+01 volume 0.48821E-02 ppm1 7.139 ppm2 4.112 CV 1
ASSI { 3}
(( segid "FecA" and resid 32 and name HN ))
(( segid "FecA" and resid 31 and name HB2 ))
2.900 1.000 1.000 peak 3 spectrum 1 weight 0.11000E+01 volume 0.23061E-02 ppm1 7.138 ppm2 1.946 CV 1
ASSI { 4}
(( segid "FecA" and resid 32 and name HN ))
(( segid "FecA" and resid 31 and name HG ))
4.100 2.100 1.900 peak 4 spectrum 1 weight 0.11000E+01 volume 0.15423E-02 ppm1 7.138 ppm2 1.732 CV 1
ASSI { 5}
(( segid "FecA" and resid 32 and name HN ))
(( segid "FecA" and resid 31 and name HB1 ))
4.000 2.000 2.000 peak 5 spectrum 1 weight 0.11000E+01 volume 0.11896E-02 ppm1 7.140 ppm2 1.508 CV 1
ASSI { 6}
(( segid "FecA" and resid 32 and name HN ))
( segid "FecA" and resid 32 and name HG2%)
2.900 1.000 1.000 peak 6 spectrum 1 weight 0.11000E+01 volume 0.43451E-02 ppm1 7.139 ppm2 0.825 CV 1
ASSI { 7}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 5 and name HN ))
4.300 2.300 1.700 peak 7 spectrum 1 weight 0.11000E+01 volume 0.80788E-03 ppm1 8.626 ppm2 9.106 CV 1
ASSI { 8}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 6 and name HA ))
3.000 1.200 1.200 peak 8 spectrum 1 weight 0.11000E+01 volume 0.18233E-02 ppm1 8.627 ppm2 4.508 CV 1
ASSI { 9}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 5 and name HA ))
2.200 0.600 0.600 peak 9 spectrum 1 weight 0.11000E+01 volume 0.88508E-02 ppm1 8.627 ppm2 4.206 CV 1
ASSI { 10}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 7 and name HD2 ))
6.000 5.300 0.000 peak 10 spectrum 1 weight 0.11000E+01 volume 0.17949E-03 ppm1 8.625 ppm2 3.797 CV 1
ASSI { 11}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 7 and name HD1 ))
5.800 4.200 0.200 peak 11 spectrum 1 weight 0.11000E+01 volume 0.29477E-03 ppm1 8.629 ppm2 3.607 CV 1
ASSI { 12}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 5 and name HB ))
4.400 2.400 1.600 peak 12 spectrum 1 weight 0.11000E+01 volume 0.50777E-03 ppm1 8.630 ppm2 1.581 CV 1
ASSI { 13}
(( segid "FecA" and resid 6 and name HN ))
( segid "FecA" and resid 6 and name HB% )
2.500 0.800 0.800 peak 13 spectrum 1 weight 0.11000E+01 volume 0.61409E-02 ppm1 8.627 ppm2 1.408 CV 1
ASSI { 14}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 5 and name HG12))
4.800 2.900 1.200 peak 14 spectrum 1 weight 0.11000E+01 volume 0.70168E-03 ppm1 8.625 ppm2 1.177 CV 1
OR { 14}
(( segid "FecA" and resid 6 and name HN ))
(( segid "FecA" and resid 5 and name HG11))
ASSI { 15}
(( segid "FecA" and resid 6 and name HN ))
( segid "FecA" and resid 5 and name HG2%)
2.800 1.000 1.000 peak 15 spectrum 1 weight 0.11000E+01 volume 0.25534E-02 ppm1 8.627 ppm2 0.959 CV 1
ASSI { 16}
(( segid "FecA" and resid 6 and name HN ))
( segid "FecA" and resid 5 and name HD1%)
5.400 3.600 0.600 peak 16 spectrum 1 weight 0.11000E+01 volume 0.46526E-03 ppm1 8.628 ppm2 0.691 CV 1
ASSI { 17}
(( segid "FecA" and resid 29 and name HN ))
( segid "FecA" and resid 27 and name HG1%)
3.500 1.500 1.500 peak 17 spectrum 1 weight 0.11000E+01 volume 0.34197E-03 ppm1 8.846 ppm2 0.797 CV 1
ASSI { 18}
(( segid "FecA" and resid 29 and name HN ))
( segid "FecA" and resid 27 and name HG2%)
4.800 2.900 1.200 peak 18 spectrum 1 weight 0.11000E+01 volume 0.21830E-03 ppm1 8.848 ppm2 0.926 CV 1
ASSI { 19}
(( segid "FecA" and resid 29 and name HN ))
( segid "FecA" and resid 29 and name HB% )
2.600 0.900 0.900 peak 19 spectrum 1 weight 0.11000E+01 volume 0.56761E-02 ppm1 8.847 ppm2 1.489 CV 1
ASSI { 20}
(( segid "FecA" and resid 29 and name HN ))
(( segid "FecA" and resid 28 and name HB1 ))
4.200 2.200 1.800 peak 20 spectrum 1 weight 0.11000E+01 volume 0.76943E-03 ppm1 8.847 ppm2 2.689 CV 1
ASSI { 21}
(( segid "FecA" and resid 29 and name HN ))
(( segid "FecA" and resid 28 and name HB2 ))
5.100 3.200 0.900 peak 21 spectrum 1 weight 0.11000E+01 volume 0.50333E-03 ppm1 8.847 ppm2 2.808 CV 1
ASSI { 22}
(( segid "FecA" and resid 29 and name HN ))
(( segid "FecA" and resid 29 and name HA ))
3.000 1.100 1.100 peak 22 spectrum 1 weight 0.11000E+01 volume 0.23615E-02 ppm1 8.849 ppm2 4.184 CV 1
ASSI { 23}
(( segid "FecA" and resid 29 and name HN ))
(( segid "FecA" and resid 28 and name HA ))
2.400 0.700 0.700 peak 23 spectrum 1 weight 0.11000E+01 volume 0.71958E-02 ppm1 8.848 ppm2 4.632 CV 1
ASSI { 24}
(( segid "FecA" and resid 29 and name HN ))
(( segid "FecA" and resid 28 and name HN ))
4.900 3.000 1.100 peak 24 spectrum 1 weight 0.11000E+01 volume 0.42424E-03 ppm1 8.846 ppm2 8.260 CV 1
ASSI { 25}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 28 and name HA ))
3.000 1.100 1.100 peak 25 spectrum 1 weight 0.11000E+01 volume 0.20993E-02 ppm1 8.240 ppm2 4.627 CV 1
ASSI { 26}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 27 and name HA ))
2.200 0.600 0.600 peak 26 spectrum 1 weight 0.11000E+01 volume 0.94338E-02 ppm1 8.242 ppm2 4.400 CV 1
ASSI { 27}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 28 and name HB2 ))
2.400 0.700 0.700 peak 27 spectrum 1 weight 0.11000E+01 volume 0.72563E-02 ppm1 8.242 ppm2 2.799 CV 1
ASSI { 28}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 28 and name HB1 ))
3.000 1.100 1.100 peak 28 spectrum 1 weight 0.11000E+01 volume 0.43389E-02 ppm1 8.241 ppm2 2.695 CV 1
ASSI { 29}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 27 and name HB ))
4.600 2.600 1.400 peak 29 spectrum 1 weight 0.11000E+01 volume 0.63047E-03 ppm1 8.241 ppm2 2.027 CV 1
ASSI { 30}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 71 and name HB2 ))
4.500 2.500 1.500 peak 30 spectrum 1 weight 0.11000E+01 volume 0.36894E-03 ppm1 8.240 ppm2 1.698 CV 1
ASSI { 32}
(( segid "FecA" and resid 28 and name HN ))
( segid "FecA" and resid 27 and name HG2%)
2.900 1.100 1.100 peak 32 spectrum 1 weight 0.11000E+01 volume 0.27888E-02 ppm1 8.242 ppm2 0.960 CV 1
ASSI { 33}
(( segid "FecA" and resid 28 and name HN ))
( segid "FecA" and resid 27 and name HG1%)
3.800 1.800 1.800 peak 33 spectrum 1 weight 0.11000E+01 volume 0.19724E-02 ppm1 8.242 ppm2 0.818 CV 1
ASSI { 34}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 27 and name HN ))
4.300 2.300 1.700 peak 34 spectrum 1 weight 0.11000E+01 volume 0.77947E-03 ppm1 8.242 ppm2 8.689 CV 1
ASSI { 35}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 69 and name HZ2 ))
2.900 1.100 1.100 peak 35 spectrum 1 weight 0.11000E+01 volume 0.24527E-02 ppm1 10.049 ppm2 7.279 CV 1
ASSI { 36}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 69 and name HD1 ))
2.700 0.900 0.900 peak 36 spectrum 1 weight 0.11000E+01 volume 0.31556E-02 ppm1 10.049 ppm2 6.784 CV 1
ASSI { 37}
(( segid "FecA" and resid 69 and name HE1 ))
( segid "FecA" and resid 17 and name HD% )
3.600 3.600 2.400 peak 37 spectrum 1 weight 0.10000E+01 volume 0.31516E-02 ppm1 10.047 ppm2 6.931 CV 1
ASSI { 38}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 67 and name HA ))
3.300 3.300 2.700 peak 38 spectrum 1 weight 0.11000E+01 volume 0.13148E-02 ppm1 10.048 ppm2 4.421 CV 1
ASSI { 39}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 23 and name HB2 ))
2.800 2.800 3.200 peak 39 spectrum 1 weight 0.11000E+01 volume 0.10953E-02 ppm1 10.048 ppm2 3.415 CV 1
ASSI { 40}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 23 and name HB1 ))
2.900 2.900 3.100 peak 40 spectrum 1 weight 0.11000E+01 volume 0.91949E-03 ppm1 10.049 ppm2 3.014 CV 1
ASSI { 41}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 63 and name HB1 ))
3.600 1.600 1.600 peak 41 spectrum 1 weight 0.11000E+01 volume 0.96170E-03 ppm1 10.049 ppm2 1.565 CV 1
ASSI { 42}
(( segid "FecA" and resid 69 and name HE1 ))
( segid "FecA" and resid 46 and name HG2%)
4.300 2.300 1.700 peak 42 spectrum 1 weight 0.11000E+01 volume 0.96769E-03 ppm1 10.052 ppm2 0.866 CV 1
ASSI { 43}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 63 and name HG1 ))
3.000 3.000 3.000 peak 43 spectrum 1 weight 0.11000E+01 volume 0.82684E-03 ppm1 10.045 ppm2 2.051 CV 1
OR { 43}
(( segid "FecA" and resid 69 and name HE1 ))
(( segid "FecA" and resid 63 and name HG2 ))
ASSI { 44}
(( segid "FecA" and resid 69 and name HE1 ))
( segid "FecA" and resid 46 and name HG1%)
3.200 1.300 1.300 peak 44 spectrum 1 weight 0.11000E+01 volume 0.14299E-02 ppm1 10.050 ppm2 -0.389 CV 1
ASSI { 45}
(( segid "FecA" and resid 25 and name HN ))
(( segid "FecA" and resid 25 and name HA ))
3.200 1.200 1.200 peak 45 spectrum 1 weight 0.11000E+01 volume 0.12424E-02 ppm1 8.860 ppm2 5.341 CV 1
ASSI { 46}
(( segid "FecA" and resid 25 and name HN ))
(( segid "FecA" and resid 24 and name HA ))
2.300 0.600 0.600 peak 46 spectrum 1 weight 0.11000E+01 volume 0.75645E-02 ppm1 8.860 ppm2 4.561 CV 1
ASSI { 47}
(( segid "FecA" and resid 25 and name HN ))
(( segid "FecA" and resid 25 and name HB2 ))
2.700 0.900 0.900 peak 47 spectrum 1 weight 0.11000E+01 volume 0.17624E-02 ppm1 8.858 ppm2 1.732 CV 1
ASSI { 48}
(( segid "FecA" and resid 25 and name HN ))
(( segid "FecA" and resid 25 and name HB1 ))
3.700 1.700 1.700 peak 48 spectrum 1 weight 0.11000E+01 volume 0.19262E-02 ppm1 8.859 ppm2 1.505 CV 1
ASSI { 49}
(( segid "FecA" and resid 25 and name HN ))
( segid "FecA" and resid 24 and name HG2%)
3.600 1.600 1.600 peak 49 spectrum 1 weight 0.11000E+01 volume 0.15866E-02 ppm1 8.860 ppm2 1.241 CV 1
ASSI { 50}
(( segid "FecA" and resid 25 and name HN ))
( segid "FecA" and resid 25 and name HD1%)
4.800 2.900 1.200 peak 50 spectrum 1 weight 0.11000E+01 volume 0.70960E-03 ppm1 8.860 ppm2 0.899 CV 1
ASSI { 51}
(( segid "FecA" and resid 25 and name HN ))
(( segid "FecA" and resid 24 and name HB ))
4.400 2.400 1.600 peak 51 spectrum 1 weight 0.11000E+01 volume 0.84892E-03 ppm1 8.860 ppm2 4.254 CV 1
ASSI { 53}
(( segid "FecA" and resid 80 and name HN ))
(( segid "FecA" and resid 79 and name HN ))
3.600 1.700 1.700 peak 53 spectrum 1 weight 0.11000E+01 volume 0.14769E-02 ppm1 8.023 ppm2 8.502 CV 1
ASSI { 54}
(( segid "FecA" and resid 80 and name HN ))
(( segid "FecA" and resid 80 and name HA ))
3.500 1.600 1.600 peak 54 spectrum 1 weight 0.11000E+01 volume 0.10479E-02 ppm1 8.020 ppm2 4.362 CV 1
ASSI { 55}
(( segid "FecA" and resid 80 and name HN ))
(( segid "FecA" and resid 80 and name HB1 ))
4.900 3.000 1.100 peak 55 spectrum 1 weight 0.11000E+01 volume 0.25232E-03 ppm1 8.023 ppm2 2.574 CV 1
ASSI { 56}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 11 and name HN ))
2.900 1.000 1.000 peak 56 spectrum 1 weight 0.11000E+01 volume 0.19218E-02 ppm1 8.619 ppm2 8.920 CV 1
ASSI { 58}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 36 and name HA ))
2.700 0.900 0.900 peak 58 spectrum 1 weight 0.10000E+01 volume 0.34646E-02 ppm1 8.621 ppm2 4.749 CV 1
ASSI { 59}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 9 and name HA ))
2.200 0.600 0.600 peak 59 spectrum 1 weight 0.11000E+01 volume 0.69957E-02 ppm1 8.620 ppm2 4.390 CV 1
ASSI { 60}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 9 and name HB2 ))
3.700 1.700 1.700 peak 60 spectrum 1 weight 0.11000E+01 volume 0.18886E-02 ppm1 8.621 ppm2 4.181 CV 1
ASSI { 61}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 10 and name HA ))
2.600 0.900 0.900 peak 61 spectrum 1 weight 0.11000E+01 volume 0.35685E-02 ppm1 8.621 ppm2 3.987 CV 1
ASSI { 62}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 36 and name HB1 ))
3.800 1.800 1.800 peak 62 spectrum 1 weight 0.11000E+01 volume 0.23187E-02 ppm1 8.620 ppm2 1.888 CV 1
ASSI { 63}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 10 and name HB2 ))
2.400 0.700 0.700 peak 63 spectrum 1 weight 0.11000E+01 volume 0.42808E-02 ppm1 8.620 ppm2 1.706 CV 1
ASSI { 64}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 10 and name HB1 ))
2.600 0.800 0.800 peak 64 spectrum 1 weight 0.11000E+01 volume 0.34620E-02 ppm1 8.621 ppm2 1.081 CV 1
ASSI { 65}
(( segid "FecA" and resid 10 and name HN ))
( segid "FecA" and resid 10 and name HD2%)
4.000 2.000 2.000 peak 65 spectrum 1 weight 0.11000E+01 volume 0.23235E-02 ppm1 8.622 ppm2 0.856 CV 1
ASSI { 66}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 10 and name HG ))
4.400 2.400 1.600 peak 66 spectrum 1 weight 0.11000E+01 volume 0.86101E-03 ppm1 8.620 ppm2 1.483 CV 1
ASSI { 67}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 36 and name HG1 ))
5.100 3.300 0.900 peak 67 spectrum 1 weight 0.11000E+01 volume 0.35713E-03 ppm1 8.624 ppm2 2.273 CV 1
ASSI { 68}
(( segid "FecA" and resid 10 and name HN ))
(( segid "FecA" and resid 11 and name HB1 ))
6.000 6.000 0.000 peak 68 spectrum 1 weight 0.11000E+01 volume 0.55918E-04 ppm1 8.624 ppm2 2.570 CV 1
ASSI { 69}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 60 and name HN ))
3.500 1.500 1.500 peak 69 spectrum 1 weight 0.11000E+01 volume 0.10743E-02 ppm1 8.399 ppm2 9.351 CV 1
ASSI { 70}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 59 and name HA ))
2.600 0.900 0.900 peak 70 spectrum 1 weight 0.11000E+01 volume 0.35919E-02 ppm1 8.398 ppm2 4.996 CV 1
ASSI { 71}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 75 and name HA ))
2.500 2.500 3.500 peak 71 spectrum 1 weight 0.11000E+01 volume 0.90587E-02 ppm1 8.398 ppm2 4.613 CV 1
ASSI { 72}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 75 and name HD1 ))
3.100 1.200 1.200 peak 72 spectrum 1 weight 0.11000E+01 volume 0.13320E-02 ppm1 8.403 ppm2 3.764 CV 1
OR { 72}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 75 and name HD2 ))
ASSI { 73}
(( segid "FecA" and resid 74 and name HN ))
(( segid "FecA" and resid 75 and name HB1 ))
3.300 3.300 2.700 peak 73 spectrum 1 weight 0.11000E+01 volume 0.22550E-02 ppm1 8.399 ppm2 2.368 CV 1
ASSI { 74}
(( segid "FecA" and resid 74 and name HN ))
( segid "FecA" and resid 74 and name HB% )
2.600 0.900 0.900 peak 74 spectrum 1 weight 0.11000E+01 volume 0.58755E-02 ppm1 8.398 ppm2 1.172 CV 1
ASSI { 75}
(( segid "FecA" and resid 74 and name HN ))
( segid "FecA" and resid 59 and name HD2%)
3.200 1.300 1.300 peak 75 spectrum 1 weight 0.11000E+01 volume 0.18571E-02 ppm1 8.398 ppm2 0.787 CV 1
ASSI { 76}
(( segid "FecA" and resid 76 and name HN ))
(( segid "FecA" and resid 77 and name HA ))
2.900 2.900 3.100 peak 76 spectrum 1 weight 0.11000E+01 volume 0.88544E-02 ppm1 8.372 ppm2 4.379 CV 1
ASSI { 77}
(( segid "FecA" and resid 76 and name HN ))
(( segid "FecA" and resid 77 and name HB2 ))
5.300 3.500 0.700 peak 77 spectrum 1 weight 0.11000E+01 volume 0.10111E-02 ppm1 8.373 ppm2 2.264 CV 1
ASSI { 78}
(( segid "FecA" and resid 76 and name HN ))
(( segid "FecA" and resid 77 and name HB1 ))
4.200 2.200 1.800 peak 78 spectrum 1 weight 0.11000E+01 volume 0.13062E-02 ppm1 8.374 ppm2 1.867 CV 1
ASSI { 79}
(( segid "FecA" and resid 76 and name HN ))
( segid "FecA" and resid 76 and name HB% )
2.900 1.100 1.100 peak 79 spectrum 1 weight 0.11000E+01 volume 0.47367E-02 ppm1 8.372 ppm2 1.364 CV 1
ASSI { 80}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 40 and name HN ))
3.000 1.100 1.100 peak 80 spectrum 1 weight 0.11000E+01 volume 0.25455E-02 ppm1 9.110 ppm2 8.436 CV 1
ASSI { 81}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 41 and name HA ))
3.800 1.800 1.800 peak 81 spectrum 1 weight 0.11000E+01 volume 0.66234E-03 ppm1 9.111 ppm2 5.465 CV 1
ASSI { 82}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 4 and name HA ))
2.300 0.700 0.700 peak 82 spectrum 1 weight 0.11000E+01 volume 0.80166E-02 ppm1 9.110 ppm2 5.176 CV 1
ASSI { 83}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 5 and name HA ))
3.000 1.100 1.100 peak 83 spectrum 1 weight 0.11000E+01 volume 0.17812E-02 ppm1 9.111 ppm2 4.205 CV 1
ASSI { 84}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 4 and name HB2 ))
4.600 2.700 1.400 peak 84 spectrum 1 weight 0.11000E+01 volume 0.79908E-03 ppm1 9.113 ppm2 2.772 CV 1
ASSI { 85}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 4 and name HB1 ))
4.500 2.600 1.500 peak 85 spectrum 1 weight 0.11000E+01 volume 0.70655E-03 ppm1 9.112 ppm2 2.553 CV 1
ASSI { 86}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 5 and name HB ))
2.600 0.900 0.900 peak 86 spectrum 1 weight 0.11000E+01 volume 0.33651E-02 ppm1 9.109 ppm2 1.581 CV 1
ASSI { 87}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 5 and name HG11))
2.900 1.100 1.100 peak 87 spectrum 1 weight 0.11000E+01 volume 0.28866E-02 ppm1 9.110 ppm2 1.166 CV 1
OR { 87}
(( segid "FecA" and resid 5 and name HN ))
(( segid "FecA" and resid 5 and name HG12))
ASSI { 88}
(( segid "FecA" and resid 5 and name HN ))
( segid "FecA" and resid 3 and name HG2%)
3.400 3.400 2.600 peak 88 spectrum 1 weight 0.11000E+01 volume 0.27316E-02 ppm1 9.110 ppm2 0.855 CV 1
ASSI { 89}
(( segid "FecA" and resid 5 and name HN ))
( segid "FecA" and resid 40 and name HD2%)
6.000 4.800 0.000 peak 89 spectrum 1 weight 0.11000E+01 volume 0.10316E-03 ppm1 9.103 ppm2 -0.047 CV 1
ASSI { 90}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 71 and name HA ))
3.800 1.800 1.800 peak 90 spectrum 1 weight 0.11000E+01 volume 0.10007E-02 ppm1 8.782 ppm2 5.496 CV 1
ASSI { 91}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 62 and name HA ))
2.700 0.900 0.900 peak 91 spectrum 1 weight 0.11000E+01 volume 0.30601E-02 ppm1 8.784 ppm2 5.070 CV 1
ASSI { 92}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 61 and name HA ))
2.200 0.600 0.600 peak 92 spectrum 1 weight 0.11000E+01 volume 0.88861E-02 ppm1 8.781 ppm2 4.801 CV 1
ASSI { 93}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 63 and name HD2 ))
4.600 2.600 1.400 peak 93 spectrum 1 weight 0.11000E+01 volume 0.52649E-03 ppm1 8.780 ppm2 3.850 CV 1
OR { 93}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 63 and name HD1 ))
ASSI { 94}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 61 and name HB ))
3.800 1.800 1.800 peak 94 spectrum 1 weight 0.11000E+01 volume 0.20426E-02 ppm1 8.781 ppm2 2.017 CV 1
ASSI { 95}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 62 and name HB2 ))
2.800 1.000 1.000 peak 95 spectrum 1 weight 0.11000E+01 volume 0.28270E-02 ppm1 8.781 ppm2 1.689 CV 1
ASSI { 96}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 62 and name HB1 ))
3.000 1.100 1.100 peak 96 spectrum 1 weight 0.11000E+01 volume 0.30506E-02 ppm1 8.782 ppm2 1.538 CV 1
ASSI { 97}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 62 and name HG2 ))
3.800 1.800 1.800 peak 97 spectrum 1 weight 0.11000E+01 volume 0.80418E-03 ppm1 8.783 ppm2 1.360 CV 1
ASSI { 98}
(( segid "FecA" and resid 62 and name HN ))
(( segid "FecA" and resid 62 and name HG1 ))
3.200 1.300 1.300 peak 98 spectrum 1 weight 0.11000E+01 volume 0.14554E-02 ppm1 8.783 ppm2 1.186 CV 1
ASSI { 99}
(( segid "FecA" and resid 62 and name HN ))
( segid "FecA" and resid 61 and name HG1%)
3.200 1.300 1.300 peak 99 spectrum 1 weight 0.11000E+01 volume 0.33860E-02 ppm1 8.782 ppm2 0.871 CV 1
ASSI { 100}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 69 and name HD1 ))
3.700 1.700 1.700 peak 100 spectrum 1 weight 0.11000E+01 volume 0.92183E-03 ppm1 8.733 ppm2 6.785 CV 1
ASSI { 101}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 68 and name HA ))
2.400 0.700 0.700 peak 101 spectrum 1 weight 0.11000E+01 volume 0.76309E-02 ppm1 8.734 ppm2 5.684 CV 1
ASSI { 102}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 25 and name HA ))
2.900 1.100 1.100 peak 102 spectrum 1 weight 0.11000E+01 volume 0.20527E-02 ppm1 8.733 ppm2 5.342 CV 1
ASSI { 103}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 69 and name HA ))
2.900 1.100 1.100 peak 103 spectrum 1 weight 0.11000E+01 volume 0.14985E-02 ppm1 8.733 ppm2 5.062 CV 1
ASSI { 104}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 24 and name HB ))
3.100 3.100 2.900 peak 104 spectrum 1 weight 0.11000E+01 volume 0.62829E-03 ppm1 8.737 ppm2 4.240 CV 1
ASSI { 105}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 68 and name HB1 ))
3.100 1.200 1.200 peak 105 spectrum 1 weight 0.11000E+01 volume 0.20750E-02 ppm1 8.733 ppm2 3.617 CV 1
OR { 105}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 68 and name HB2 ))
ASSI { 106}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 69 and name HB2 ))
3.100 1.200 1.200 peak 106 spectrum 1 weight 0.11000E+01 volume 0.12916E-02 ppm1 8.733 ppm2 3.051 CV 1
ASSI { 107}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 69 and name HB1 ))
3.400 1.500 1.500 peak 107 spectrum 1 weight 0.11000E+01 volume 0.26593E-02 ppm1 8.734 ppm2 2.806 CV 1
ASSI { 108}
(( segid "FecA" and resid 69 and name HN ))
(( segid "FecA" and resid 25 and name HG ))
4.700 2.700 1.300 peak 108 spectrum 1 weight 0.11000E+01 volume 0.50292E-03 ppm1 8.734 ppm2 1.523 CV 1
ASSI { 109}
(( segid "FecA" and resid 69 and name HN ))
( segid "FecA" and resid 24 and name HG2%)
3.300 3.300 2.700 peak 109 spectrum 1 weight 0.11000E+01 volume 0.47616E-03 ppm1 8.733 ppm2 1.240 CV 1
ASSI { 110}
(( segid "FecA" and resid 69 and name HN ))
( segid "FecA" and resid 25 and name HD1%)
3.900 1.900 1.900 peak 110 spectrum 1 weight 0.11000E+01 volume 0.10585E-02 ppm1 8.732 ppm2 0.892 CV 1
ASSI { 111}
(( segid "FecA" and resid 27 and name HN ))
( segid "FecA" and resid 27 and name HG1%)
3.200 1.300 1.300 peak 111 spectrum 1 weight 0.11000E+01 volume 0.15909E-02 ppm1 8.695 ppm2 0.799 CV 1
ASSI { 112}
(( segid "FecA" and resid 27 and name HN ))
( segid "FecA" and resid 27 and name HG2%)
3.800 1.800 1.800 peak 112 spectrum 1 weight 0.11000E+01 volume 0.17224E-02 ppm1 8.696 ppm2 0.935 CV 1
ASSI { 113}
(( segid "FecA" and resid 27 and name HN ))
(( segid "FecA" and resid 27 and name HB ))
3.300 1.400 1.400 peak 113 spectrum 1 weight 0.11000E+01 volume 0.16741E-02 ppm1 8.694 ppm2 2.042 CV 1
ASSI { 114}
(( segid "FecA" and resid 27 and name HN ))
(( segid "FecA" and resid 26 and name HB1 ))
4.900 3.000 1.100 peak 114 spectrum 1 weight 0.11000E+01 volume 0.53100E-03 ppm1 8.694 ppm2 3.714 CV 1
ASSI { 115}
(( segid "FecA" and resid 27 and name HN ))
(( segid "FecA" and resid 26 and name HB2 ))
5.000 3.100 1.000 peak 115 spectrum 1 weight 0.11000E+01 volume 0.58434E-03 ppm1 8.695 ppm2 3.857 CV 1
ASSI { 116}
(( segid "FecA" and resid 27 and name HN ))
(( segid "FecA" and resid 27 and name HA ))
3.100 1.200 1.200 peak 116 spectrum 1 weight 0.11000E+01 volume 0.17217E-02 ppm1 8.694 ppm2 4.401 CV 1
ASSI { 117}
(( segid "FecA" and resid 27 and name HN ))
(( segid "FecA" and resid 26 and name HA ))
2.300 0.600 0.600 peak 117 spectrum 1 weight 0.11000E+01 volume 0.95952E-02 ppm1 8.694 ppm2 4.809 CV 1
ASSI { 119}
(( segid "FecA" and resid 38 and name HN ))
(( segid "FecA" and resid 37 and name HA ))
2.100 0.600 0.600 peak 119 spectrum 1 weight 0.11000E+01 volume 0.68231E-02 ppm1 9.029 ppm2 4.927 CV 1
ASSI { 120}
(( segid "FecA" and resid 38 and name HN ))
(( segid "FecA" and resid 37 and name HB2 ))
4.400 2.400 1.600 peak 120 spectrum 1 weight 0.11000E+01 volume 0.75187E-03 ppm1 9.029 ppm2 3.763 CV 1
ASSI { 121}
(( segid "FecA" and resid 38 and name HN ))
(( segid "FecA" and resid 37 and name HB1 ))
4.600 2.600 1.400 peak 121 spectrum 1 weight 0.11000E+01 volume 0.44049E-03 ppm1 9.029 ppm2 3.248 CV 1
ASSI { 122}
(( segid "FecA" and resid 38 and name HN ))
(( segid "FecA" and resid 38 and name HB1 ))
2.600 2.600 3.400 peak 122 spectrum 1 weight 0.11000E+01 volume 0.39765E-02 ppm1 9.028 ppm2 2.891 CV 1
OR { 122}
(( segid "FecA" and resid 38 and name HN ))
(( segid "FecA" and resid 38 and name HB2 ))
ASSI { 123}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 32 and name HN ))
2.600 0.800 0.800 peak 123 spectrum 1 weight 0.11000E+01 volume 0.56333E-02 ppm1 7.354 ppm2 7.151 CV 1
ASSI { 124}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HA ))
2.600 0.800 0.800 peak 124 spectrum 1 weight 0.11000E+01 volume 0.57215E-02 ppm1 7.355 ppm2 4.134 CV 1
ASSI { 125}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HD1 ))
5.200 3.300 0.800 peak 125 spectrum 1 weight 0.11000E+01 volume 0.44748E-03 ppm1 7.354 ppm2 3.207 CV 1
OR { 125}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HD2 ))
ASSI { 126}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HB2 ))
2.600 0.800 0.800 peak 126 spectrum 1 weight 0.11000E+01 volume 0.64004E-02 ppm1 7.354 ppm2 1.967 CV 1
ASSI { 127}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HB1 ))
2.400 0.700 0.700 peak 127 spectrum 1 weight 0.11000E+01 volume 0.71865E-02 ppm1 7.353 ppm2 1.766 CV 1
ASSI { 128}
(( segid "FecA" and resid 33 and name HN ))
( segid "FecA" and resid 32 and name HG2%)
4.300 2.300 1.700 peak 128 spectrum 1 weight 0.11000E+01 volume 0.10182E-02 ppm1 7.354 ppm2 0.825 CV 1
ASSI { 129}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 33 and name HG1 ))
3.900 1.900 1.900 peak 129 spectrum 1 weight 0.11000E+01 volume 0.19375E-02 ppm1 7.355 ppm2 1.597 CV 1
ASSI { 130}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 5 and name HN ))
6.000 4.600 0.000 peak 130 spectrum 1 weight 0.11000E+01 volume 0.91585E-04 ppm1 8.412 ppm2 9.116 CV 1
ASSI { 131}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 3 and name HN ))
5.100 3.200 0.900 peak 131 spectrum 1 weight 0.11000E+01 volume 0.31018E-03 ppm1 8.407 ppm2 8.801 CV 1
ASSI { 132}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 4 and name HA ))
3.300 1.400 1.400 peak 132 spectrum 1 weight 0.11000E+01 volume 0.10668E-02 ppm1 8.407 ppm2 5.174 CV 1
ASSI { 133}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 3 and name HA ))
2.300 0.700 0.700 peak 133 spectrum 1 weight 0.11000E+01 volume 0.76849E-02 ppm1 8.409 ppm2 4.139 CV 1
ASSI { 134}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 4 and name HB2 ))
3.400 1.500 1.500 peak 134 spectrum 1 weight 0.11000E+01 volume 0.11860E-02 ppm1 8.410 ppm2 2.766 CV 1
ASSI { 135}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 4 and name HB1 ))
3.400 1.400 1.400 peak 135 spectrum 1 weight 0.11000E+01 volume 0.13027E-02 ppm1 8.408 ppm2 2.550 CV 1
ASSI { 136}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 3 and name HB ))
3.800 1.800 1.800 peak 136 spectrum 1 weight 0.11000E+01 volume 0.82702E-03 ppm1 8.408 ppm2 1.934 CV 1
ASSI { 137}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 5 and name HG12))
3.800 1.800 1.800 peak 137 spectrum 1 weight 0.11000E+01 volume 0.59207E-03 ppm1 8.406 ppm2 1.200 CV 1
OR { 137}
(( segid "FecA" and resid 4 and name HN ))
(( segid "FecA" and resid 5 and name HG11))
ASSI { 138}
(( segid "FecA" and resid 4 and name HN ))
( segid "FecA" and resid 3 and name HG2%)
3.500 1.500 1.500 peak 138 spectrum 1 weight 0.11000E+01 volume 0.26399E-02 ppm1 8.407 ppm2 0.845 CV 1
ASSI { 139}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 56 and name HN ))
4.900 3.000 1.100 peak 139 spectrum 1 weight 0.11000E+01 volume 0.35873E-03 ppm1 7.433 ppm2 8.900 CV 1
ASSI { 140}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 53 and name HN ))
3.900 1.900 1.900 peak 140 spectrum 1 weight 0.11000E+01 volume 0.66416E-03 ppm1 7.432 ppm2 8.230 CV 1
ASSI { 141}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 54 and name HN ))
2.700 0.900 0.900 peak 141 spectrum 1 weight 0.11000E+01 volume 0.30857E-02 ppm1 7.435 ppm2 7.670 CV 1
ASSI { 142}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 55 and name HA ))
2.900 1.000 1.000 peak 142 spectrum 1 weight 0.11000E+01 volume 0.32246E-02 ppm1 7.433 ppm2 4.506 CV 1
ASSI { 143}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 52 and name HA ))
3.300 1.400 1.400 peak 143 spectrum 1 weight 0.11000E+01 volume 0.17756E-02 ppm1 7.433 ppm2 4.053 CV 1
ASSI { 144}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 53 and name HA ))
3.400 1.500 1.500 peak 144 spectrum 1 weight 0.11000E+01 volume 0.79379E-03 ppm1 7.433 ppm2 3.782 CV 1
ASSI { 145}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 55 and name HB2 ))
2.400 0.700 0.700 peak 145 spectrum 1 weight 0.11000E+01 volume 0.96786E-02 ppm1 7.434 ppm2 2.865 CV 1
ASSI { 146}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 55 and name HB1 ))
2.400 0.700 0.700 peak 146 spectrum 1 weight 0.11000E+01 volume 0.78487E-02 ppm1 7.433 ppm2 2.773 CV 1
ASSI { 147}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 54 and name HB2 ))
3.400 1.500 1.500 peak 147 spectrum 1 weight 0.11000E+01 volume 0.17193E-02 ppm1 7.433 ppm2 1.798 CV 1
ASSI { 148}
(( segid "FecA" and resid 55 and name HN ))
(( segid "FecA" and resid 54 and name HB1 ))
4.600 2.700 1.400 peak 148 spectrum 1 weight 0.11000E+01 volume 0.38055E-03 ppm1 7.433 ppm2 1.583 CV 1
ASSI { 149}
(( segid "FecA" and resid 55 and name HN ))
( segid "FecA" and resid 54 and name HD2%)
4.600 2.700 1.400 peak 149 spectrum 1 weight 0.11000E+01 volume 0.60058E-03 ppm1 7.437 ppm2 0.804 CV 1
ASSI { 151}
(( segid "FecA" and resid 79 and name HN ))
(( segid "FecA" and resid 79 and name HA ))
2.700 0.900 0.900 peak 151 spectrum 1 weight 0.11000E+01 volume 0.44819E-02 ppm1 8.538 ppm2 4.329 CV 1
ASSI { 152}
(( segid "FecA" and resid 79 and name HN ))
(( segid "FecA" and resid 79 and name HB1 ))
4.000 2.000 2.000 peak 152 spectrum 1 weight 0.11000E+01 volume 0.10115E-02 ppm1 8.541 ppm2 1.882 CV 1
ASSI { 153}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 42 and name HN ))
3.200 1.300 1.300 peak 153 spectrum 1 weight 0.11000E+01 volume 0.13600E-02 ppm1 8.774 ppm2 8.415 CV 1
ASSI { 154}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 44 and name HN ))
3.600 3.600 2.400 peak 154 spectrum 1 weight 0.11000E+01 volume 0.95876E-03 ppm1 8.772 ppm2 8.249 CV 1
ASSI { 155}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 43 and name HA ))
3.800 1.800 1.800 peak 155 spectrum 1 weight 0.11000E+01 volume 0.92853E-03 ppm1 8.771 ppm2 4.945 CV 1
ASSI { 156}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 2 and name HA ))
2.400 0.700 0.700 peak 156 spectrum 1 weight 0.11000E+01 volume 0.87211E-02 ppm1 8.772 ppm2 4.390 CV 1
ASSI { 157}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 3 and name HA ))
3.100 1.200 1.200 peak 157 spectrum 1 weight 0.11000E+01 volume 0.16866E-02 ppm1 8.774 ppm2 4.144 CV 1
ASSI { 158}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 41 and name HA ))
6.000 5.700 0.000 peak 158 spectrum 1 weight 0.11000E+01 volume 0.29192E-04 ppm1 8.774 ppm2 5.455 CV 1
ASSI { 159}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 42 and name HA1 ))
6.000 5.900 0.000 peak 159 spectrum 1 weight 0.11000E+01 volume 0.41727E-04 ppm1 8.771 ppm2 3.766 CV 1
ASSI { 160}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 2 and name HG2 ))
4.300 2.400 1.700 peak 160 spectrum 1 weight 0.11000E+01 volume 0.75440E-03 ppm1 8.773 ppm2 2.299 CV 1
OR { 160}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 2 and name HG1 ))
ASSI { 161}
(( segid "FecA" and resid 3 and name HN ))
(( segid "FecA" and resid 3 and name HB ))
2.900 1.100 1.100 peak 161 spectrum 1 weight 0.11000E+01 volume 0.33880E-02 ppm1 8.772 ppm2 1.948 CV 1
ASSI { 162}
(( segid "FecA" and resid 3 and name HN ))
( segid "FecA" and resid 3 and name HG2%)
2.900 1.000 1.000 peak 162 spectrum 1 weight 0.11000E+01 volume 0.33655E-02 ppm1 8.772 ppm2 0.843 CV 1
ASSI { 164}
(( segid "FecA" and resid 41 and name HN ))
( segid "FecA" and resid 44 and name HE% )
4.300 2.300 1.700 peak 164 spectrum 1 weight 0.11000E+01 volume 0.32452E-03 ppm1 8.958 ppm2 6.478 CV 1
ASSI { 165}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 41 and name HA ))
3.500 1.500 1.500 peak 165 spectrum 1 weight 0.11000E+01 volume 0.84158E-03 ppm1 8.958 ppm2 5.452 CV 1
ASSI { 166}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 40 and name HA ))
2.400 0.700 0.700 peak 166 spectrum 1 weight 0.11000E+01 volume 0.52580E-02 ppm1 8.958 ppm2 4.305 CV 1
ASSI { 167}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 41 and name HB2 ))
3.400 1.400 1.400 peak 167 spectrum 1 weight 0.11000E+01 volume 0.12194E-02 ppm1 8.957 ppm2 3.213 CV 1
ASSI { 168}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 41 and name HB1 ))
3.700 1.700 1.700 peak 168 spectrum 1 weight 0.11000E+01 volume 0.89571E-03 ppm1 8.960 ppm2 3.129 CV 1
ASSI { 169}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 40 and name HB2 ))
5.200 3.400 0.800 peak 169 spectrum 1 weight 0.11000E+01 volume 0.44347E-03 ppm1 8.959 ppm2 1.091 CV 1
ASSI { 170}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 40 and name HG ))
3.400 1.500 1.500 peak 170 spectrum 1 weight 0.11000E+01 volume 0.11523E-02 ppm1 8.961 ppm2 0.837 CV 1
ASSI { 171}
(( segid "FecA" and resid 41 and name HN ))
( segid "FecA" and resid 40 and name HD1%)
3.700 1.700 1.700 peak 171 spectrum 1 weight 0.11000E+01 volume 0.10504E-02 ppm1 8.958 ppm2 -0.005 CV 1
ASSI { 172}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 19 and name HN ))
2.900 1.000 1.000 peak 172 spectrum 1 weight 0.11000E+01 volume 0.23867E-02 ppm1 8.326 ppm2 7.580 CV 1
ASSI { 173}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 17 and name HN ))
2.700 0.900 0.900 peak 173 spectrum 1 weight 0.11000E+01 volume 0.27949E-02 ppm1 8.326 ppm2 8.566 CV 1
ASSI { 174}
(( segid "FecA" and resid 18 and name HN ))
( segid "FecA" and resid 23 and name HD% )
4.700 2.700 1.300 peak 174 spectrum 1 weight 0.11000E+01 volume 0.60458E-03 ppm1 8.325 ppm2 6.903 CV 1
ASSI { 175}
(( segid "FecA" and resid 18 and name HN ))
( segid "FecA" and resid 23 and name HE% )
4.400 4.400 1.600 peak 175 spectrum 1 weight 0.11000E+01 volume 0.37981E-03 ppm1 8.330 ppm2 6.614 CV 1
ASSI { 176}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 15 and name HA ))
3.000 1.200 1.200 peak 176 spectrum 1 weight 0.11000E+01 volume 0.20308E-02 ppm1 8.328 ppm2 4.386 CV 1
ASSI { 177}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 16 and name HA ))
4.100 2.100 1.900 peak 177 spectrum 1 weight 0.11000E+01 volume 0.44795E-03 ppm1 8.326 ppm2 4.085 CV 1
ASSI { 178}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 14 and name HA ))
4.200 2.200 1.800 peak 178 spectrum 1 weight 0.11000E+01 volume 0.53278E-03 ppm1 8.327 ppm2 3.885 CV 1
ASSI { 179}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 17 and name HB1 ))
2.500 0.800 0.800 peak 179 spectrum 1 weight 0.11000E+01 volume 0.31882E-02 ppm1 8.326 ppm2 2.986 CV 1
ASSI { 180}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 17 and name HB2 ))
3.600 1.600 1.600 peak 180 spectrum 1 weight 0.11000E+01 volume 0.22917E-02 ppm1 8.326 ppm2 3.080 CV 1
ASSI { 181}
(( segid "FecA" and resid 18 and name HN ))
(( segid "FecA" and resid 18 and name HA ))
2.900 1.100 1.100 peak 181 spectrum 1 weight 0.11000E+01 volume 0.22323E-02 ppm1 8.326 ppm2 2.134 CV 1
ASSI { 182}
(( segid "FecA" and resid 18 and name HN ))
( segid "FecA" and resid 18 and name HB% )
2.500 0.800 0.800 peak 182 spectrum 1 weight 0.11000E+01 volume 0.67544E-02 ppm1 8.326 ppm2 1.007 CV 1
ASSI { 183}
(( segid "FecA" and resid 18 and name HN ))
( segid "FecA" and resid 14 and name HD2%)
4.700 4.700 1.300 peak 183 spectrum 1 weight 0.11000E+01 volume 0.53373E-03 ppm1 8.325 ppm2 0.716 CV 1
ASSI { 184}
(( segid "FecA" and resid 13 and name HN ))
(( segid "FecA" and resid 11 and name HN ))
4.000 2.000 2.000 peak 184 spectrum 1 weight 0.11000E+01 volume 0.51731E-03 ppm1 8.002 ppm2 8.907 CV 1
ASSI { 185}
(( segid "FecA" and resid 13 and name HN ))
(( segid "FecA" and resid 14 and name HN ))
2.700 0.900 0.900 peak 185 spectrum 1 weight 0.11000E+01 volume 0.34081E-02 ppm1 8.004 ppm2 8.612 CV 1
ASSI { 187}
(( segid "FecA" and resid 13 and name HN ))
(( segid "FecA" and resid 13 and name HA ))
2.500 0.800 0.800 peak 187 spectrum 1 weight 0.11000E+01 volume 0.56354E-02 ppm1 8.003 ppm2 4.056 CV 1
ASSI { 188}
(( segid "FecA" and resid 13 and name HN ))
(( segid "FecA" and resid 12 and name HB1 ))
2.700 0.900 0.900 peak 188 spectrum 1 weight 0.11000E+01 volume 0.48718E-02 ppm1 8.003 ppm2 1.868 CV 1
OR { 188}
(( segid "FecA" and resid 13 and name HN ))
(( segid "FecA" and resid 12 and name HB2 ))
ASSI { 189}
(( segid "FecA" and resid 13 and name HN ))
( segid "FecA" and resid 13 and name HB% )
2.300 0.700 0.700 peak 189 spectrum 1 weight 0.11000E+01 volume 0.76103E-02 ppm1 8.003 ppm2 1.352 CV 1
ASSI { 190}
(( segid "FecA" and resid 13 and name HN ))
( segid "FecA" and resid 5 and name HG2%)
4.200 4.200 1.800 peak 190 spectrum 1 weight 0.11000E+01 volume 0.11767E-02 ppm1 8.000 ppm2 0.920 CV 1
ASSI { 191}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 36 and name HA ))
2.600 0.900 0.900 peak 191 spectrum 1 weight 0.11000E+01 volume 0.33424E-02 ppm1 9.080 ppm2 4.774 CV 1
ASSI { 192}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 35 and name HA ))
2.600 0.900 0.900 peak 192 spectrum 1 weight 0.11000E+01 volume 0.43973E-02 ppm1 9.078 ppm2 4.582 CV 1
ASSI { 193}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 36 and name HG1 ))
3.500 1.500 1.500 peak 193 spectrum 1 weight 0.11000E+01 volume 0.14263E-02 ppm1 9.079 ppm2 2.288 CV 1
ASSI { 194}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 36 and name HB2 ))
3.700 1.700 1.700 peak 194 spectrum 1 weight 0.11000E+01 volume 0.78182E-03 ppm1 9.078 ppm2 2.123 CV 1
ASSI { 195}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 36 and name HB1 ))
2.800 1.000 1.000 peak 195 spectrum 1 weight 0.11000E+01 volume 0.36859E-02 ppm1 9.078 ppm2 1.885 CV 1
ASSI { 196}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 35 and name HG2 ))
3.700 1.700 1.700 peak 196 spectrum 1 weight 0.11000E+01 volume 0.51685E-03 ppm1 9.075 ppm2 1.390 CV 1
OR { 196}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 35 and name HG1 ))
ASSI { 197}
(( segid "FecA" and resid 36 and name HN ))
(( segid "FecA" and resid 35 and name HN ))
6.000 4.900 0.000 peak 197 spectrum 1 weight 0.11000E+01 volume 0.80929E-04 ppm1 9.081 ppm2 7.654 CV 1
ASSI { 199}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 51 and name HN ))
2.700 0.900 0.900 peak 199 spectrum 1 weight 0.11000E+01 volume 0.25672E-02 ppm1 8.400 ppm2 7.809 CV 1
ASSI { 200}
(( segid "FecA" and resid 78 and name HN ))
(( segid "FecA" and resid 77 and name HA ))
2.500 0.800 0.800 peak 200 spectrum 1 weight 0.11000E+01 volume 0.72428E-02 ppm1 8.393 ppm2 4.400 CV 1
ASSI { 201}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 50 and name HA ))
2.600 0.900 0.900 peak 201 spectrum 1 weight 0.11000E+01 volume 0.35177E-02 ppm1 8.399 ppm2 3.692 CV 1
ASSI { 202}
(( segid "FecA" and resid 78 and name HN ))
(( segid "FecA" and resid 78 and name HB1 ))
2.900 1.100 1.100 peak 202 spectrum 1 weight 0.11000E+01 volume 0.54311E-02 ppm1 8.394 ppm2 1.780 CV 1
ASSI { 203}
(( segid "FecA" and resid 50 and name HN ))
( segid "FecA" and resid 17 and name HE% )
3.700 1.700 1.700 peak 203 spectrum 1 weight 0.11000E+01 volume 0.11934E-02 ppm1 8.397 ppm2 6.707 CV 1
ASSI { 204}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 47 and name HA ))
3.500 1.500 1.500 peak 204 spectrum 1 weight 0.11000E+01 volume 0.83864E-03 ppm1 8.401 ppm2 3.271 CV 1
ASSI { 205}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 49 and name HA1 ))
3.200 1.300 1.300 peak 205 spectrum 1 weight 0.11000E+01 volume 0.10324E-02 ppm1 8.399 ppm2 3.028 CV 1
ASSI { 206}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 50 and name HB2 ))
2.300 0.700 0.700 peak 206 spectrum 1 weight 0.11000E+01 volume 0.56066E-02 ppm1 8.399 ppm2 1.653 CV 1
ASSI { 207}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 50 and name HG ))
2.600 0.900 0.900 peak 207 spectrum 1 weight 0.11000E+01 volume 0.29432E-02 ppm1 8.399 ppm2 1.392 CV 1
ASSI { 208}
(( segid "FecA" and resid 50 and name HN ))
(( segid "FecA" and resid 50 and name HB1 ))
3.400 1.400 1.400 peak 208 spectrum 1 weight 0.11000E+01 volume 0.31991E-02 ppm1 8.400 ppm2 0.935 CV 1
ASSI { 209}
(( segid "FecA" and resid 50 and name HN ))
( segid "FecA" and resid 50 and name HD2%)
4.000 2.000 2.000 peak 209 spectrum 1 weight 0.11000E+01 volume 0.93669E-03 ppm1 8.400 ppm2 0.631 CV 1
ASSI { 210}
(( segid "FecA" and resid 50 and name HN ))
( segid "FecA" and resid 50 and name HD1%)
3.900 1.900 1.900 peak 210 spectrum 1 weight 0.11000E+01 volume 0.90692E-03 ppm1 8.400 ppm2 -0.225 CV 1
ASSI { 211}
(( segid "FecA" and resid 50 and name HN ))
( segid "FecA" and resid 46 and name HG1%)
4.200 2.200 1.800 peak 211 spectrum 1 weight 0.11000E+01 volume 0.52513E-03 ppm1 8.401 ppm2 -0.388 CV 1
ASSI { 214}
(( segid "FecA" and resid 17 and name HN ))
( segid "FecA" and resid 17 and name HD% )
4.900 3.000 1.100 peak 214 spectrum 1 weight 0.11000E+01 volume 0.59753E-03 ppm1 8.560 ppm2 6.917 CV 1
ASSI { 215}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 17 and name HA ))
3.000 1.100 1.100 peak 215 spectrum 1 weight 0.11000E+01 volume 0.23492E-02 ppm1 8.559 ppm2 4.455 CV 1
ASSI { 216}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 16 and name HA ))
3.400 1.400 1.400 peak 216 spectrum 1 weight 0.11000E+01 volume 0.13925E-02 ppm1 8.561 ppm2 4.083 CV 1
ASSI { 217}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 14 and name HA ))
3.300 1.400 1.400 peak 217 spectrum 1 weight 0.11000E+01 volume 0.10090E-02 ppm1 8.560 ppm2 3.884 CV 1
ASSI { 218}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 17 and name HB2 ))
2.200 0.600 0.600 peak 218 spectrum 1 weight 0.11000E+01 volume 0.60193E-02 ppm1 8.560 ppm2 3.076 CV 1
ASSI { 219}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 17 and name HB1 ))
2.600 0.900 0.900 peak 219 spectrum 1 weight 0.11000E+01 volume 0.62818E-02 ppm1 8.560 ppm2 2.998 CV 1
ASSI { 220}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 16 and name HB2 ))
3.600 1.600 1.600 peak 220 spectrum 1 weight 0.11000E+01 volume 0.19650E-02 ppm1 8.560 ppm2 2.346 CV 1
ASSI { 221}
(( segid "FecA" and resid 17 and name HN ))
(( segid "FecA" and resid 16 and name HB1 ))
2.900 1.100 1.100 peak 221 spectrum 1 weight 0.11000E+01 volume 0.14975E-02 ppm1 8.560 ppm2 2.051 CV 1
ASSI { 222}
(( segid "FecA" and resid 17 and name HN ))
( segid "FecA" and resid 13 and name HB% )
3.100 3.100 2.900 peak 222 spectrum 1 weight 0.11000E+01 volume 0.63616E-03 ppm1 8.560 ppm2 1.378 CV 1
ASSI { 223}
(( segid "FecA" and resid 17 and name HN ))
( segid "FecA" and resid 5 and name HG2%)
2.800 2.800 3.200 peak 223 spectrum 1 weight 0.11000E+01 volume 0.11445E-02 ppm1 8.559 ppm2 0.978 CV 1
ASSI { 224}
(( segid "FecA" and resid 17 and name HN ))
( segid "FecA" and resid 5 and name HD1%)
3.200 3.200 2.800 peak 224 spectrum 1 weight 0.11000E+01 volume 0.17654E-02 ppm1 8.561 ppm2 0.706 CV 1
ASSI { 225}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 45 and name HA ))
2.500 0.800 0.800 peak 225 spectrum 1 weight 0.11000E+01 volume 0.68600E-02 ppm1 8.052 ppm2 4.918 CV 1
ASSI { 226}
(( segid "FecA" and resid 43 and name HN ))
(( segid "FecA" and resid 44 and name HA ))
2.500 2.500 3.500 peak 226 spectrum 1 weight 0.11000E+01 volume 0.11048E-01 ppm1 8.052 ppm2 4.722 CV 1
ASSI { 227}
(( segid "FecA" and resid 45 and name HN ))
( segid "FecA" and resid 44 and name HD% )
4.100 2.100 1.900 peak 227 spectrum 1 weight 0.11000E+01 volume 0.69076E-03 ppm1 8.053 ppm2 6.775 CV 1
ASSI { 228}
(( segid "FecA" and resid 43 and name HN ))
(( segid "FecA" and resid 42 and name HA2 ))
2.800 1.000 1.000 peak 228 spectrum 1 weight 0.11000E+01 volume 0.33306E-02 ppm1 8.049 ppm2 4.337 CV 1
ASSI { 229}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 48 and name HB2 ))
3.000 1.100 1.100 peak 229 spectrum 1 weight 0.11000E+01 volume 0.19357E-02 ppm1 8.053 ppm2 4.079 CV 1
OR { 229}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 48 and name HB1 ))
ASSI { 230}
(( segid "FecA" and resid 43 and name HN ))
(( segid "FecA" and resid 42 and name HA1 ))
3.000 1.100 1.100 peak 230 spectrum 1 weight 0.11000E+01 volume 0.26361E-02 ppm1 8.050 ppm2 3.776 CV 1
ASSI { 231}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 44 and name HB2 ))
3.800 1.800 1.800 peak 231 spectrum 1 weight 0.11000E+01 volume 0.23069E-02 ppm1 8.053 ppm2 3.191 CV 1
ASSI { 232}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 45 and name HB2 ))
2.900 1.000 1.000 peak 232 spectrum 1 weight 0.11000E+01 volume 0.16758E-02 ppm1 8.053 ppm2 3.001 CV 1
ASSI { 233}
(( segid "FecA" and resid 45 and name HN ))
(( segid "FecA" and resid 45 and name HB1 ))
3.600 1.600 1.600 peak 233 spectrum 1 weight 0.11000E+01 volume 0.19220E-02 ppm1 8.052 ppm2 2.761 CV 1
ASSI { 234}
(( segid "FecA" and resid 43 and name HN ))
(( segid "FecA" and resid 43 and name HB2 ))
2.800 1.000 1.000 peak 234 spectrum 1 weight 0.11000E+01 volume 0.40501E-02 ppm1 8.051 ppm2 2.363 CV 1
OR { 234}
(( segid "FecA" and resid 43 and name HN ))
(( segid "FecA" and resid 43 and name HB1 ))
ASSI { 235}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 25 and name HA ))
2.200 0.600 0.600 peak 235 spectrum 1 weight 0.11000E+01 volume 0.91673E-02 ppm1 8.616 ppm2 5.344 CV 1
ASSI { 236}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 70 and name HA ))
2.900 1.000 1.000 peak 236 spectrum 1 weight 0.11000E+01 volume 0.24295E-02 ppm1 8.615 ppm2 5.168 CV 1
ASSI { 237}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 26 and name HA ))
3.000 1.100 1.100 peak 237 spectrum 1 weight 0.11000E+01 volume 0.20250E-02 ppm1 8.616 ppm2 4.804 CV 1
ASSI { 238}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 70 and name HB ))
4.400 2.400 1.600 peak 238 spectrum 1 weight 0.11000E+01 volume 0.47828E-03 ppm1 8.617 ppm2 4.149 CV 1
ASSI { 239}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 26 and name HB2 ))
2.900 1.100 1.100 peak 239 spectrum 1 weight 0.11000E+01 volume 0.22153E-02 ppm1 8.615 ppm2 3.859 CV 1
ASSI { 240}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 26 and name HB1 ))
3.200 1.200 1.200 peak 240 spectrum 1 weight 0.11000E+01 volume 0.24464E-02 ppm1 8.616 ppm2 3.717 CV 1
ASSI { 241}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 69 and name HB1 ))
5.100 3.300 0.900 peak 241 spectrum 1 weight 0.11000E+01 volume 0.33830E-03 ppm1 8.617 ppm2 2.811 CV 1
ASSI { 242}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 25 and name HB2 ))
4.700 2.700 1.300 peak 242 spectrum 1 weight 0.11000E+01 volume 0.63475E-03 ppm1 8.613 ppm2 1.733 CV 1
ASSI { 243}
(( segid "FecA" and resid 26 and name HN ))
(( segid "FecA" and resid 25 and name HB1 ))
3.300 1.400 1.400 peak 243 spectrum 1 weight 0.11000E+01 volume 0.14351E-02 ppm1 8.616 ppm2 1.511 CV 1
ASSI { 244}
(( segid "FecA" and resid 26 and name HN ))
( segid "FecA" and resid 24 and name HG2%)
3.200 3.200 2.800 peak 244 spectrum 1 weight 0.11000E+01 volume 0.54600E-03 ppm1 8.620 ppm2 1.244 CV 1
ASSI { 245}
(( segid "FecA" and resid 26 and name HN ))
( segid "FecA" and resid 25 and name HD1%)
3.300 1.300 1.300 peak 245 spectrum 1 weight 0.11000E+01 volume 0.25866E-02 ppm1 8.616 ppm2 0.891 CV 1
ASSI { 246}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 52 and name HN ))
2.400 0.700 0.700 peak 246 spectrum 1 weight 0.11000E+01 volume 0.52931E-02 ppm1 8.217 ppm2 7.679 CV 1
ASSI { 247}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 52 and name HA ))
3.700 1.700 1.700 peak 247 spectrum 1 weight 0.11000E+01 volume 0.77107E-03 ppm1 8.216 ppm2 4.040 CV 1
ASSI { 248}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 53 and name HA ))
2.600 0.800 0.800 peak 248 spectrum 1 weight 0.11000E+01 volume 0.40665E-02 ppm1 8.216 ppm2 3.776 CV 1
ASSI { 249}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 52 and name HB2 ))
2.600 0.900 0.900 peak 249 spectrum 1 weight 0.11000E+01 volume 0.42670E-02 ppm1 8.216 ppm2 1.957 CV 1
ASSI { 250}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 53 and name HB2 ))
2.200 0.600 0.600 peak 250 spectrum 1 weight 0.11000E+01 volume 0.64409E-02 ppm1 8.217 ppm2 1.783 CV 1
ASSI { 251}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 53 and name HG ))
2.400 0.700 0.700 peak 251 spectrum 1 weight 0.11000E+01 volume 0.33463E-02 ppm1 8.217 ppm2 1.369 CV 1
ASSI { 252}
(( segid "FecA" and resid 53 and name HN ))
(( segid "FecA" and resid 53 and name HB1 ))
3.600 1.600 1.600 peak 252 spectrum 1 weight 0.11000E+01 volume 0.22800E-02 ppm1 8.217 ppm2 1.095 CV 1
ASSI { 253}
(( segid "FecA" and resid 53 and name HN ))
( segid "FecA" and resid 53 and name HD1%)
4.000 2.000 2.000 peak 253 spectrum 1 weight 0.11000E+01 volume 0.15591E-02 ppm1 8.217 ppm2 0.482 CV 1
ASSI { 254}
(( segid "FecA" and resid 53 and name HN ))
( segid "FecA" and resid 54 and name HD1%)
4.400 4.400 1.600 peak 254 spectrum 1 weight 0.11000E+01 volume 0.74501E-03 ppm1 8.215 ppm2 0.664 CV 1
ASSI { 255}
(( segid "FecA" and resid 53 and name HN ))
( segid "FecA" and resid 40 and name HD2%)
3.400 1.500 1.500 peak 255 spectrum 1 weight 0.11000E+01 volume 0.16830E-02 ppm1 8.216 ppm2 -0.030 CV 1
ASSI { 256}
(( segid "FecA" and resid 44 and name HN ))
( segid "FecA" and resid 44 and name HD% )
3.400 1.400 1.400 peak 256 spectrum 1 weight 0.11000E+01 volume 0.12094E-02 ppm1 8.201 ppm2 6.792 CV 1
ASSI { 257}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 43 and name HA ))
2.200 0.600 0.600 peak 257 spectrum 1 weight 0.11000E+01 volume 0.95354E-02 ppm1 8.201 ppm2 4.946 CV 1
ASSI { 258}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 44 and name HA ))
2.700 2.700 3.300 peak 258 spectrum 1 weight 0.11000E+01 volume 0.36344E-02 ppm1 8.202 ppm2 4.757 CV 1
ASSI { 259}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 1 and name HA ))
3.000 3.000 3.000 peak 259 spectrum 1 weight 0.11000E+01 volume 0.83459E-03 ppm1 8.201 ppm2 4.521 CV 1
ASSI { 260}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 2 and name HA ))
3.300 1.400 1.400 peak 260 spectrum 1 weight 0.11000E+01 volume 0.15971E-02 ppm1 8.201 ppm2 4.390 CV 1
ASSI { 261}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 44 and name HB2 ))
2.800 1.000 1.000 peak 261 spectrum 1 weight 0.11000E+01 volume 0.15527E-02 ppm1 8.202 ppm2 3.186 CV 1
ASSI { 262}
(( segid "FecA" and resid 44 and name HN ))
(( segid "FecA" and resid 44 and name HB1 ))
3.300 1.400 1.400 peak 262 spectrum 1 weight 0.11000E+01 volume 0.47533E-02 ppm1 8.201 ppm2 2.375 CV 1
ASSI { 263}
(( segid "FecA" and resid 44 and name HN ))
( segid "FecA" and resid 3 and name HG1%)
3.400 1.400 1.400 peak 263 spectrum 1 weight 0.11000E+01 volume 0.18620E-02 ppm1 8.209 ppm2 0.846 CV 1
ASSI { 264}
(( segid "FecA" and resid 46 and name HN ))
(( segid "FecA" and resid 45 and name HA ))
2.500 0.800 0.800 peak 264 spectrum 1 weight 0.11000E+01 volume 0.54506E-02 ppm1 8.298 ppm2 4.905 CV 1
ASSI { 265}
(( segid "FecA" and resid 46 and name HN ))
(( segid "FecA" and resid 46 and name HA ))
2.800 1.000 1.000 peak 265 spectrum 1 weight 0.11000E+01 volume 0.26667E-02 ppm1 8.297 ppm2 3.739 CV 1
ASSI { 266}
(( segid "FecA" and resid 46 and name HN ))
(( segid "FecA" and resid 45 and name HB2 ))
3.300 1.400 1.400 peak 266 spectrum 1 weight 0.11000E+01 volume 0.31170E-02 ppm1 8.297 ppm2 2.996 CV 1
ASSI { 267}
(( segid "FecA" and resid 46 and name HN ))
(( segid "FecA" and resid 45 and name HB1 ))
2.700 0.900 0.900 peak 267 spectrum 1 weight 0.11000E+01 volume 0.19516E-02 ppm1 8.296 ppm2 2.761 CV 1
ASSI { 268}
(( segid "FecA" and resid 46 and name HN ))
(( segid "FecA" and resid 46 and name HB ))
2.500 0.800 0.800 peak 268 spectrum 1 weight 0.11000E+01 volume 0.45846E-02 ppm1 8.297 ppm2 1.633 CV 1
ASSI { 269}
(( segid "FecA" and resid 46 and name HN ))
( segid "FecA" and resid 46 and name HG2%)
2.400 0.700 0.700 peak 269 spectrum 1 weight 0.11000E+01 volume 0.51349E-02 ppm1 8.297 ppm2 0.854 CV 1
ASSI { 270}
(( segid "FecA" and resid 46 and name HN ))
( segid "FecA" and resid 46 and name HG1%)
4.500 2.500 1.500 peak 270 spectrum 1 weight 0.11000E+01 volume 0.99387E-03 ppm1 8.298 ppm2 -0.393 CV 1
ASSI { 272}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 64 and name HA ))
2.800 1.000 1.000 peak 272 spectrum 1 weight 0.11000E+01 volume 0.24362E-02 ppm1 7.954 ppm2 4.434 CV 1
ASSI { 273}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 63 and name HA ))
2.100 0.600 0.600 peak 273 spectrum 1 weight 0.11000E+01 volume 0.71894E-02 ppm1 7.957 ppm2 3.975 CV 1
ASSI { 274}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 64 and name HB1 ))
2.500 0.800 0.800 peak 274 spectrum 1 weight 0.11000E+01 volume 0.79837E-02 ppm1 7.955 ppm2 1.361 CV 1
ASSI { 275}
(( segid "FecA" and resid 64 and name HN ))
( segid "FecA" and resid 64 and name HD2%)
3.200 1.200 1.200 peak 275 spectrum 1 weight 0.11000E+01 volume 0.42732E-02 ppm1 7.950 ppm2 0.807 CV 1
ASSI { 276}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 69 and name HA ))
2.000 0.500 0.500 peak 276 spectrum 1 weight 0.11000E+01 volume 0.67825E-02 ppm1 7.953 ppm2 5.079 CV 1
ASSI { 277}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 68 and name HN ))
3.600 1.700 1.700 peak 277 spectrum 1 weight 0.11000E+01 volume 0.64409E-03 ppm1 7.954 ppm2 7.010 CV 1
ASSI { 278}
(( segid "FecA" and resid 64 and name HN ))
(( segid "FecA" and resid 70 and name HN ))
4.700 2.700 1.300 peak 278 spectrum 1 weight 0.11000E+01 volume 0.61902E-03 ppm1 7.952 ppm2 9.144 CV 1
ASSI { 279}
(( segid "FecA" and resid 71 and name HN ))
(( segid "FecA" and resid 71 and name HA ))
3.000 1.100 1.100 peak 279 spectrum 1 weight 0.11000E+01 volume 0.19222E-02 ppm1 7.945 ppm2 5.491 CV 1
ASSI { 280}
(( segid "FecA" and resid 71 and name HN ))
(( segid "FecA" and resid 70 and name HB ))
3.900 1.900 1.900 peak 280 spectrum 1 weight 0.11000E+01 volume 0.15229E-02 ppm1 7.946 ppm2 4.143 CV 1
ASSI { 281}
(( segid "FecA" and resid 71 and name HN ))
(( segid "FecA" and resid 27 and name HB ))
3.600 1.600 1.600 peak 281 spectrum 1 weight 0.11000E+01 volume 0.12403E-02 ppm1 7.947 ppm2 2.048 CV 1
ASSI { 282}
(( segid "FecA" and resid 71 and name HN ))
(( segid "FecA" and resid 71 and name HB2 ))
2.300 0.700 0.700 peak 282 spectrum 1 weight 0.11000E+01 volume 0.64344E-02 ppm1 7.943 ppm2 1.680 CV 1
ASSI { 283}
(( segid "FecA" and resid 71 and name HN ))
( segid "FecA" and resid 70 and name HG2%)
3.300 1.400 1.400 peak 283 spectrum 1 weight 0.11000E+01 volume 0.26933E-02 ppm1 7.945 ppm2 1.190 CV 1
ASSI { 284}
(( segid "FecA" and resid 71 and name HN ))
(( segid "FecA" and resid 70 and name HA ))
2.300 0.700 0.700 peak 284 spectrum 1 weight 0.11000E+01 volume 0.72146E-02 ppm1 7.943 ppm2 5.164 CV 1
ASSI { 285}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 11 and name HN ))
2.800 1.000 1.000 peak 285 spectrum 1 weight 0.11000E+01 volume 0.26427E-02 ppm1 7.703 ppm2 8.905 CV 1
ASSI { 286}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 10 and name HN ))
4.200 2.200 1.800 peak 286 spectrum 1 weight 0.11000E+01 volume 0.51738E-03 ppm1 7.703 ppm2 8.626 CV 1
ASSI { 287}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 13 and name HN ))
2.700 0.900 0.900 peak 287 spectrum 1 weight 0.11000E+01 volume 0.29892E-02 ppm1 7.704 ppm2 8.012 CV 1
ASSI { 288}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 12 and name HA ))
2.500 0.800 0.800 peak 288 spectrum 1 weight 0.11000E+01 volume 0.55827E-02 ppm1 7.703 ppm2 4.042 CV 1
ASSI { 289}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 11 and name HB1 ))
2.800 1.000 1.000 peak 289 spectrum 1 weight 0.11000E+01 volume 0.26225E-02 ppm1 7.703 ppm2 2.562 CV 1
ASSI { 290}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 12 and name HB2 ))
2.300 0.700 0.700 peak 290 spectrum 1 weight 0.11000E+01 volume 0.88450E-02 ppm1 7.704 ppm2 1.866 CV 1
OR { 290}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 12 and name HB1 ))
ASSI { 291}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 12 and name HG2 ))
4.400 2.500 1.600 peak 291 spectrum 1 weight 0.11000E+01 volume 0.10286E-02 ppm1 7.704 ppm2 1.504 CV 1
ASSI { 292}
(( segid "FecA" and resid 12 and name HN ))
(( segid "FecA" and resid 12 and name HG1 ))
4.100 2.100 1.900 peak 292 spectrum 1 weight 0.11000E+01 volume 0.14655E-02 ppm1 7.704 ppm2 1.365 CV 1
ASSI { 293}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 60 and name HN ))
4.600 2.700 1.400 peak 293 spectrum 1 weight 0.11000E+01 volume 0.54725E-03 ppm1 8.072 ppm2 9.359 CV 1
ASSI { 294}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 58 and name HN ))
2.600 0.900 0.900 peak 294 spectrum 1 weight 0.11000E+01 volume 0.39350E-02 ppm1 8.071 ppm2 8.855 CV 1
ASSI { 295}
(( segid "FecA" and resid 31 and name HN ))
(( segid "FecA" and resid 30 and name HN ))
2.500 0.800 0.800 peak 295 spectrum 1 weight 0.11000E+01 volume 0.45212E-02 ppm1 8.062 ppm2 8.651 CV 1
ASSI { 297}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 59 and name HA ))
3.100 1.200 1.200 peak 297 spectrum 1 weight 0.11000E+01 volume 0.16684E-02 ppm1 8.072 ppm2 5.002 CV 1
ASSI { 298}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 57 and name HB1 ))
3.400 1.500 1.500 peak 298 spectrum 1 weight 0.11000E+01 volume 0.28012E-02 ppm1 8.072 ppm2 3.799 CV 1
ASSI { 299}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 59 and name HB2 ))
2.200 0.600 0.600 peak 299 spectrum 1 weight 0.11000E+01 volume 0.89712E-02 ppm1 8.065 ppm2 1.940 CV 1
ASSI { 300}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 59 and name HG ))
2.300 0.700 0.700 peak 300 spectrum 1 weight 0.11000E+01 volume 0.76514E-02 ppm1 8.067 ppm2 1.516 CV 1
ASSI { 301}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 59 and name HB1 ))
3.400 1.500 1.500 peak 301 spectrum 1 weight 0.11000E+01 volume 0.21477E-02 ppm1 8.074 ppm2 1.170 CV 1
ASSI { 302}
(( segid "FecA" and resid 59 and name HN ))
( segid "FecA" and resid 59 and name HD1%)
3.500 1.600 1.600 peak 302 spectrum 1 weight 0.11000E+01 volume 0.36758E-02 ppm1 8.071 ppm2 0.719 CV 1
ASSI { 303}
(( segid "FecA" and resid 31 and name HN ))
(( segid "FecA" and resid 31 and name HA ))
2.500 0.800 0.800 peak 303 spectrum 1 weight 0.11000E+01 volume 0.63252E-02 ppm1 8.064 ppm2 4.284 CV 1
ASSI { 304}
(( segid "FecA" and resid 31 and name HN ))
(( segid "FecA" and resid 30 and name HB2 ))
2.800 2.800 3.200 peak 304 spectrum 1 weight 0.11000E+01 volume 0.59988E-02 ppm1 8.065 ppm2 4.154 CV 1
OR { 304}
(( segid "FecA" and resid 31 and name HN ))
(( segid "FecA" and resid 30 and name HB1 ))
ASSI { 305}
(( segid "FecA" and resid 31 and name HN ))
(( segid "FecA" and resid 31 and name HG ))
2.300 0.700 0.700 peak 305 spectrum 1 weight 0.11000E+01 volume 0.55670E-02 ppm1 8.061 ppm2 1.721 CV 1
ASSI { 306}
(( segid "FecA" and resid 31 and name HN ))
( segid "FecA" and resid 31 and name HD1%)
3.600 1.600 1.600 peak 306 spectrum 1 weight 0.11000E+01 volume 0.29242E-02 ppm1 8.062 ppm2 0.955 CV 1
ASSI { 307}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 15 and name HN ))
2.700 0.900 0.900 peak 307 spectrum 1 weight 0.11000E+01 volume 0.27782E-02 ppm1 8.606 ppm2 7.826 CV 1
ASSI { 308}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 15 and name HA ))
3.700 1.700 1.700 peak 308 spectrum 1 weight 0.11000E+01 volume 0.95248E-03 ppm1 8.605 ppm2 4.377 CV 1
ASSI { 309}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 16 and name HA ))
2.700 0.900 0.900 peak 309 spectrum 1 weight 0.11000E+01 volume 0.43711E-02 ppm1 8.606 ppm2 4.092 CV 1
ASSI { 310}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 15 and name HB2 ))
3.700 1.700 1.700 peak 310 spectrum 1 weight 0.11000E+01 volume 0.26299E-02 ppm1 8.606 ppm2 2.907 CV 1
ASSI { 311}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 16 and name HG2 ))
3.500 1.600 1.600 peak 311 spectrum 1 weight 0.11000E+01 volume 0.33579E-02 ppm1 8.606 ppm2 2.673 CV 1
ASSI { 312}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 16 and name HG1 ))
3.300 1.300 1.300 peak 312 spectrum 1 weight 0.11000E+01 volume 0.54248E-02 ppm1 8.606 ppm2 2.348 CV 1
ASSI { 313}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 16 and name HB1 ))
2.800 1.000 1.000 peak 313 spectrum 1 weight 0.11000E+01 volume 0.25948E-02 ppm1 8.606 ppm2 2.042 CV 1
ASSI { 314}
(( segid "FecA" and resid 16 and name HN ))
(( segid "FecA" and resid 12 and name HG1 ))
2.900 2.900 3.100 peak 314 spectrum 1 weight 0.11000E+01 volume 0.96839E-03 ppm1 8.606 ppm2 1.402 CV 1
ASSI { 315}
(( segid "FecA" and resid 16 and name HN ))
( segid "FecA" and resid 14 and name HD2%)
4.700 4.700 1.300 peak 315 spectrum 1 weight 0.11000E+01 volume 0.69111E-03 ppm1 8.606 ppm2 0.705 CV 1
ASSI { 316}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 3 and name HN ))
3.700 1.700 1.700 peak 316 spectrum 1 weight 0.11000E+01 volume 0.13580E-02 ppm1 8.270 ppm2 8.762 CV 1
ASSI { 317}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 1 and name HA ))
2.500 0.800 0.800 peak 317 spectrum 1 weight 0.11000E+01 volume 0.68260E-02 ppm1 8.270 ppm2 4.526 CV 1
ASSI { 318}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 2 and name HA ))
3.000 1.100 1.100 peak 318 spectrum 1 weight 0.11000E+01 volume 0.22977E-02 ppm1 8.270 ppm2 4.400 CV 1
ASSI { 319}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 2 and name HG2 ))
3.600 1.600 1.600 peak 319 spectrum 1 weight 0.11000E+01 volume 0.12675E-02 ppm1 8.269 ppm2 2.297 CV 1
OR { 319}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 2 and name HG1 ))
ASSI { 320}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 2 and name HB2 ))
2.700 0.900 0.900 peak 320 spectrum 1 weight 0.11000E+01 volume 0.54381E-02 ppm1 8.270 ppm2 1.982 CV 1
OR { 320}
(( segid "FecA" and resid 2 and name HN ))
(( segid "FecA" and resid 2 and name HB1 ))
ASSI { 321}
(( segid "FecA" and resid 2 and name HN ))
( segid "FecA" and resid 1 and name HB% )
3.800 1.800 1.800 peak 321 spectrum 1 weight 0.11000E+01 volume 0.16351E-02 ppm1 8.270 ppm2 1.447 CV 1
ASSI { 323}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 71 and name HA ))
2.200 0.600 0.600 peak 323 spectrum 1 weight 0.11000E+01 volume 0.75663E-02 ppm1 8.931 ppm2 5.489 CV 1
ASSI { 324}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 72 and name HA ))
2.800 1.000 1.000 peak 324 spectrum 1 weight 0.11000E+01 volume 0.24659E-02 ppm1 8.931 ppm2 4.956 CV 1
ASSI { 325}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 61 and name HA ))
3.000 1.100 1.100 peak 325 spectrum 1 weight 0.11000E+01 volume 0.15858E-02 ppm1 8.931 ppm2 4.810 CV 1
ASSI { 326}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 73 and name HD1 ))
4.800 2.900 1.200 peak 326 spectrum 1 weight 0.11000E+01 volume 0.44259E-03 ppm1 8.930 ppm2 3.732 CV 1
ASSI { 327}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 72 and name HG2 ))
3.600 1.600 1.600 peak 327 spectrum 1 weight 0.11000E+01 volume 0.29271E-02 ppm1 8.932 ppm2 2.128 CV 1
OR { 327}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 72 and name HG1 ))
ASSI { 328}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 72 and name HB1 ))
3.000 1.100 1.100 peak 328 spectrum 1 weight 0.11000E+01 volume 0.22073E-02 ppm1 8.931 ppm2 1.969 CV 1
ASSI { 329}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 71 and name HB2 ))
4.200 2.200 1.800 peak 329 spectrum 1 weight 0.11000E+01 volume 0.12588E-02 ppm1 8.930 ppm2 1.684 CV 1
ASSI { 330}
(( segid "FecA" and resid 72 and name HN ))
(( segid "FecA" and resid 71 and name HB1 ))
3.600 1.700 1.700 peak 330 spectrum 1 weight 0.11000E+01 volume 0.16688E-02 ppm1 8.931 ppm2 1.400 CV 1
ASSI { 331}
(( segid "FecA" and resid 72 and name HN ))
( segid "FecA" and resid 70 and name HG2%)
4.000 2.000 2.000 peak 331 spectrum 1 weight 0.11000E+01 volume 0.52052E-03 ppm1 8.931 ppm2 1.189 CV 1
ASSI { 332}
(( segid "FecA" and resid 72 and name HN ))
( segid "FecA" and resid 71 and name HD1%)
3.400 1.400 1.400 peak 332 spectrum 1 weight 0.11000E+01 volume 0.23650E-02 ppm1 8.932 ppm2 0.834 CV 1
ASSI { 334}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 4 and name HA ))
5.000 3.200 1.000 peak 334 spectrum 1 weight 0.11000E+01 volume 0.45514E-03 ppm1 8.436 ppm2 5.173 CV 1
ASSI { 335}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 40 and name HA ))
2.800 1.000 1.000 peak 335 spectrum 1 weight 0.11000E+01 volume 0.22053E-02 ppm1 8.435 ppm2 4.302 CV 1
ASSI { 336}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 39 and name HA2 ))
2.600 0.800 0.800 peak 336 spectrum 1 weight 0.11000E+01 volume 0.47932E-02 ppm1 8.434 ppm2 4.018 CV 1
ASSI { 337}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 39 and name HA1 ))
2.700 0.900 0.900 peak 337 spectrum 1 weight 0.11000E+01 volume 0.38368E-02 ppm1 8.435 ppm2 2.847 CV 1
ASSI { 338}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 5 and name HB ))
2.400 0.700 0.700 peak 338 spectrum 1 weight 0.11000E+01 volume 0.40925E-02 ppm1 8.435 ppm2 1.583 CV 1
ASSI { 339}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 339 spectrum 1 weight 0.11000E+01 volume 0.31914E-02 ppm1 8.435 ppm2 1.102 CV 1
ASSI { 340}
(( segid "FecA" and resid 40 and name HN ))
(( segid "FecA" and resid 40 and name HB1 ))
2.600 0.800 0.800 peak 340 spectrum 1 weight 0.11000E+01 volume 0.38305E-02 ppm1 8.434 ppm2 0.910 CV 1
ASSI { 341}
(( segid "FecA" and resid 40 and name HN ))
( segid "FecA" and resid 53 and name HD2%)
4.300 2.300 1.700 peak 341 spectrum 1 weight 0.11000E+01 volume 0.84064E-03 ppm1 8.432 ppm2 0.516 CV 1
ASSI { 342}
(( segid "FecA" and resid 40 and name HN ))
( segid "FecA" and resid 40 and name HD2%)
4.900 3.000 1.100 peak 342 spectrum 1 weight 0.11000E+01 volume 0.64608E-03 ppm1 8.430 ppm2 -0.025 CV 1
ASSI { 343}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 34 and name HN ))
3.400 1.500 1.500 peak 343 spectrum 1 weight 0.11000E+01 volume 0.11506E-02 ppm1 7.657 ppm2 9.124 CV 1
ASSI { 344}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 10 and name HN ))
4.100 2.100 1.900 peak 344 spectrum 1 weight 0.11000E+01 volume 0.46391E-03 ppm1 7.657 ppm2 8.606 CV 1
ASSI { 345}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HA ))
3.000 1.200 1.200 peak 345 spectrum 1 weight 0.11000E+01 volume 0.21341E-02 ppm1 7.655 ppm2 4.585 CV 1
ASSI { 346}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 34 and name HA2 ))
2.700 0.900 0.900 peak 346 spectrum 1 weight 0.11000E+01 volume 0.32682E-02 ppm1 7.656 ppm2 4.156 CV 1
ASSI { 347}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 34 and name HA1 ))
4.000 2.000 2.000 peak 347 spectrum 1 weight 0.11000E+01 volume 0.14300E-02 ppm1 7.657 ppm2 3.804 CV 1
ASSI { 348}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HE1 ))
5.600 3.900 0.400 peak 348 spectrum 1 weight 0.11000E+01 volume 0.27413E-03 ppm1 7.656 ppm2 3.137 CV 1
OR { 348}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HE2 ))
ASSI { 349}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HB2 ))
2.500 0.800 0.800 peak 349 spectrum 1 weight 0.11000E+01 volume 0.58849E-02 ppm1 7.656 ppm2 1.922 CV 1
ASSI { 350}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HB1 ))
2.600 0.900 0.900 peak 350 spectrum 1 weight 0.11000E+01 volume 0.62184E-02 ppm1 7.656 ppm2 1.805 CV 1
ASSI { 351}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HG1 ))
3.100 1.200 1.200 peak 351 spectrum 1 weight 0.11000E+01 volume 0.46777E-02 ppm1 7.656 ppm2 1.384 CV 1
OR { 351}
(( segid "FecA" and resid 35 and name HN ))
(( segid "FecA" and resid 35 and name HG2 ))
ASSI { 352}
(( segid "FecA" and resid 35 and name HN ))
( segid "FecA" and resid 10 and name HD2%)
4.100 2.100 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.80706E-03 ppm1 7.655 ppm2 0.833 CV 1
ASSI { 353}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 17 and name HN ))
4.300 2.300 1.700 peak 353 spectrum 1 weight 0.11000E+01 volume 0.41585E-03 ppm1 7.577 ppm2 8.578 CV 1
ASSI { 355}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 20 and name HN ))
2.700 0.900 0.900 peak 355 spectrum 1 weight 0.11000E+01 volume 0.35585E-02 ppm1 7.576 ppm2 8.045 CV 1
ASSI { 356}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 15 and name HA ))
3.100 3.100 2.900 peak 356 spectrum 1 weight 0.11000E+01 volume 0.72317E-03 ppm1 7.577 ppm2 4.389 CV 1
ASSI { 357}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 19 and name HA ))
2.800 1.000 1.000 peak 357 spectrum 1 weight 0.11000E+01 volume 0.37685E-02 ppm1 7.576 ppm2 4.063 CV 1
ASSI { 358}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 20 and name HB1 ))
5.100 3.300 0.900 peak 358 spectrum 1 weight 0.11000E+01 volume 0.49772E-03 ppm1 7.574 ppm2 3.300 CV 1
OR { 358}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 20 and name HB2 ))
ASSI { 359}
(( segid "FecA" and resid 19 and name HN ))
(( segid "FecA" and resid 18 and name HA ))
3.800 1.800 1.800 peak 359 spectrum 1 weight 0.11000E+01 volume 0.77618E-03 ppm1 7.576 ppm2 2.137 CV 1
ASSI { 360}
(( segid "FecA" and resid 19 and name HN ))
( segid "FecA" and resid 19 and name HB% )
2.500 0.800 0.800 peak 360 spectrum 1 weight 0.11000E+01 volume 0.79379E-02 ppm1 7.576 ppm2 1.456 CV 1
ASSI { 361}
(( segid "FecA" and resid 19 and name HN ))
( segid "FecA" and resid 18 and name HB% )
2.800 1.000 1.000 peak 361 spectrum 1 weight 0.11000E+01 volume 0.38537E-02 ppm1 7.576 ppm2 1.008 CV 1
ASSI { 363}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 48 and name HA ))
4.100 2.100 1.900 peak 363 spectrum 1 weight 0.11000E+01 volume 0.54785E-03 ppm1 7.690 ppm2 4.272 CV 1
ASSI { 364}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 52 and name HA ))
2.900 1.100 1.100 peak 364 spectrum 1 weight 0.11000E+01 volume 0.26059E-02 ppm1 7.689 ppm2 4.042 CV 1
ASSI { 365}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 51 and name HA ))
3.400 1.500 1.500 peak 365 spectrum 1 weight 0.11000E+01 volume 0.15525E-02 ppm1 7.688 ppm2 3.790 CV 1
ASSI { 366}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 49 and name HA1 ))
4.100 2.100 1.900 peak 366 spectrum 1 weight 0.11000E+01 volume 0.84205E-03 ppm1 7.689 ppm2 3.024 CV 1
ASSI { 367}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 51 and name HB2 ))
3.500 1.500 1.500 peak 367 spectrum 1 weight 0.11000E+01 volume 0.41834E-02 ppm1 7.686 ppm2 2.201 CV 1
ASSI { 368}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 52 and name HB1 ))
3.000 1.100 1.100 peak 368 spectrum 1 weight 0.11000E+01 volume 0.45842E-02 ppm1 7.689 ppm2 1.767 CV 1
ASSI { 369}
(( segid "FecA" and resid 52 and name HN ))
(( segid "FecA" and resid 52 and name HB2 ))
2.300 0.700 0.700 peak 369 spectrum 1 weight 0.11000E+01 volume 0.54050E-02 ppm1 7.688 ppm2 1.978 CV 1
ASSI { 371}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 48 and name HB2 ))
6.000 5.600 0.000 peak 371 spectrum 1 weight 0.11000E+01 volume 0.65184E-04 ppm1 8.362 ppm2 4.111 CV 1
ASSI { 372}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 46 and name HA ))
3.900 1.900 1.900 peak 372 spectrum 1 weight 0.11000E+01 volume 0.76144E-03 ppm1 8.362 ppm2 3.733 CV 1
ASSI { 373}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 47 and name HA ))
2.800 1.000 1.000 peak 373 spectrum 1 weight 0.11000E+01 volume 0.25279E-02 ppm1 8.362 ppm2 3.272 CV 1
ASSI { 374}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 45 and name HB2 ))
4.400 2.500 1.600 peak 374 spectrum 1 weight 0.11000E+01 volume 0.39033E-03 ppm1 8.360 ppm2 3.004 CV 1
ASSI { 375}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 45 and name HB1 ))
5.900 4.300 0.100 peak 375 spectrum 1 weight 0.11000E+01 volume 0.68465E-04 ppm1 8.363 ppm2 2.772 CV 1
ASSI { 376}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 47 and name HB2 ))
2.100 0.600 0.600 peak 376 spectrum 1 weight 0.11000E+01 volume 0.89283E-02 ppm1 8.362 ppm2 2.077 CV 1
ASSI { 377}
(( segid "FecA" and resid 47 and name HN ))
(( segid "FecA" and resid 46 and name HB ))
2.400 0.700 0.700 peak 377 spectrum 1 weight 0.11000E+01 volume 0.32105E-02 ppm1 8.362 ppm2 1.629 CV 1
ASSI { 378}
(( segid "FecA" and resid 47 and name HN ))
( segid "FecA" and resid 46 and name HG2%)
4.500 2.500 1.500 peak 378 spectrum 1 weight 0.11000E+01 volume 0.10872E-02 ppm1 8.362 ppm2 0.849 CV 1
ASSI { 379}
(( segid "FecA" and resid 47 and name HN ))
( segid "FecA" and resid 46 and name HG1%)
3.700 1.700 1.700 peak 379 spectrum 1 weight 0.11000E+01 volume 0.11219E-02 ppm1 8.362 ppm2 -0.390 CV 1
ASSI { 380}
(( segid "FecA" and resid 61 and name HN ))
(( segid "FecA" and resid 60 and name HN ))
4.600 2.600 1.400 peak 380 spectrum 1 weight 0.11000E+01 volume 0.41717E-03 ppm1 8.491 ppm2 9.355 CV 1
ASSI { 381}
(( segid "FecA" and resid 61 and name HN ))
(( segid "FecA" and resid 60 and name HA ))
2.200 0.600 0.600 peak 381 spectrum 1 weight 0.11000E+01 volume 0.84399E-02 ppm1 8.487 ppm2 4.861 CV 1
ASSI { 382}
(( segid "FecA" and resid 61 and name HN ))
(( segid "FecA" and resid 61 and name HB ))
2.400 0.700 0.700 peak 382 spectrum 1 weight 0.11000E+01 volume 0.76133E-02 ppm1 8.487 ppm2 2.031 CV 1
ASSI { 383}
(( segid "FecA" and resid 61 and name HN ))
( segid "FecA" and resid 61 and name HG2%)
3.200 1.300 1.300 peak 383 spectrum 1 weight 0.11000E+01 volume 0.47734E-02 ppm1 8.488 ppm2 0.879 CV 1
ASSI { 384}
(( segid "FecA" and resid 61 and name HN ))
( segid "FecA" and resid 54 and name HD1%)
3.500 1.500 1.500 peak 384 spectrum 1 weight 0.11000E+01 volume 0.11692E-02 ppm1 8.488 ppm2 0.639 CV 1
ASSI { 385}
(( segid "FecA" and resid 9 and name HN ))
(( segid "FecA" and resid 8 and name HA2 ))
3.200 1.300 1.300 peak 385 spectrum 1 weight 0.11000E+01 volume 0.14204E-02 ppm1 8.640 ppm2 4.333 CV 1
ASSI { 386}
(( segid "FecA" and resid 9 and name HN ))
(( segid "FecA" and resid 8 and name HA1 ))
3.500 1.500 1.500 peak 386 spectrum 1 weight 0.11000E+01 volume 0.10583E-02 ppm1 8.640 ppm2 3.968 CV 1
ASSI { 387}
(( segid "FecA" and resid 9 and name HN ))
(( segid "FecA" and resid 9 and name HB2 ))
4.300 2.300 1.700 peak 387 spectrum 1 weight 0.11000E+01 volume 0.42629E-03 ppm1 8.634 ppm2 4.177 CV 1
ASSI { 391}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 9 and name HA ))
4.300 2.300 1.700 peak 391 spectrum 1 weight 0.11000E+01 volume 0.44639E-03 ppm1 8.902 ppm2 4.400 CV 1
ASSI { 392}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 11 and name HA ))
2.600 0.800 0.800 peak 392 spectrum 1 weight 0.11000E+01 volume 0.57332E-02 ppm1 8.902 ppm2 4.077 CV 1
ASSI { 393}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 11 and name HB1 ))
2.700 0.900 0.900 peak 393 spectrum 1 weight 0.11000E+01 volume 0.45395E-02 ppm1 8.902 ppm2 2.545 CV 1
ASSI { 394}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 394 spectrum 1 weight 0.11000E+01 volume 0.18289E-02 ppm1 8.903 ppm2 1.864 CV 1
OR { 394}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 12 and name HB1 ))
ASSI { 395}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 10 and name HB2 ))
3.400 1.500 1.500 peak 395 spectrum 1 weight 0.11000E+01 volume 0.31779E-02 ppm1 8.903 ppm2 1.706 CV 1
ASSI { 396}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 10 and name HG ))
3.600 1.600 1.600 peak 396 spectrum 1 weight 0.11000E+01 volume 0.14250E-02 ppm1 8.904 ppm2 1.462 CV 1
ASSI { 397}
(( segid "FecA" and resid 11 and name HN ))
(( segid "FecA" and resid 10 and name HB1 ))
3.000 1.200 1.200 peak 397 spectrum 1 weight 0.11000E+01 volume 0.11089E-02 ppm1 8.903 ppm2 1.081 CV 1
ASSI { 398}
(( segid "FecA" and resid 11 and name HN ))
( segid "FecA" and resid 10 and name HD2%)
3.900 1.900 1.900 peak 398 spectrum 1 weight 0.11000E+01 volume 0.18609E-02 ppm1 8.902 ppm2 0.825 CV 1
ASSI { 399}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 72 and name HN ))
3.000 1.200 1.200 peak 399 spectrum 1 weight 0.11000E+01 volume 0.18428E-02 ppm1 9.352 ppm2 8.931 CV 1
ASSI { 401}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 71 and name HA ))
4.200 2.200 1.800 peak 401 spectrum 1 weight 0.11000E+01 volume 0.52000E-03 ppm1 9.349 ppm2 5.495 CV 1
ASSI { 402}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 59 and name HA ))
2.600 0.800 0.800 peak 402 spectrum 1 weight 0.11000E+01 volume 0.53151E-02 ppm1 9.350 ppm2 5.003 CV 1
ASSI { 403}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 60 and name HA ))
2.800 1.000 1.000 peak 403 spectrum 1 weight 0.11000E+01 volume 0.25428E-02 ppm1 9.346 ppm2 4.858 CV 1
ASSI { 404}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 75 and name HA ))
4.500 2.500 1.500 peak 404 spectrum 1 weight 0.11000E+01 volume 0.72276E-03 ppm1 9.351 ppm2 4.618 CV 1
ASSI { 405}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 73 and name HA ))
5.400 3.700 0.600 peak 405 spectrum 1 weight 0.11000E+01 volume 0.93587E-04 ppm1 9.353 ppm2 4.376 CV 1
ASSI { 406}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 60 and name HG2 ))
3.000 3.000 3.000 peak 406 spectrum 1 weight 0.11000E+01 volume 0.31806E-02 ppm1 9.352 ppm2 2.245 CV 1
ASSI { 407}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 60 and name HB2 ))
2.900 1.000 1.000 peak 407 spectrum 1 weight 0.11000E+01 volume 0.26289E-02 ppm1 9.351 ppm2 2.117 CV 1
ASSI { 408}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 60 and name HB1 ))
3.100 1.200 1.200 peak 408 spectrum 1 weight 0.11000E+01 volume 0.24818E-02 ppm1 9.352 ppm2 1.975 CV 1
ASSI { 409}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 59 and name HG ))
4.700 2.800 1.300 peak 409 spectrum 1 weight 0.11000E+01 volume 0.74900E-03 ppm1 9.354 ppm2 1.496 CV 1
ASSI { 410}
(( segid "FecA" and resid 60 and name HN ))
(( segid "FecA" and resid 59 and name HB1 ))
2.600 0.800 0.800 peak 410 spectrum 1 weight 0.11000E+01 volume 0.28298E-02 ppm1 9.352 ppm2 1.166 CV 1
ASSI { 411}
(( segid "FecA" and resid 60 and name HN ))
( segid "FecA" and resid 59 and name HD2%)
3.700 1.700 1.700 peak 411 spectrum 1 weight 0.11000E+01 volume 0.26454E-02 ppm1 9.353 ppm2 0.800 CV 1
ASSI { 413}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 20 and name HD2 ))
5.400 3.700 0.600 peak 413 spectrum 1 weight 0.11000E+01 volume 0.35568E-03 ppm1 8.036 ppm2 7.079 CV 1
ASSI { 414}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 17 and name HA ))
3.300 1.300 1.300 peak 414 spectrum 1 weight 0.11000E+01 volume 0.14830E-02 ppm1 8.038 ppm2 4.445 CV 1
ASSI { 415}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 20 and name HA ))
2.900 1.100 1.100 peak 415 spectrum 1 weight 0.11000E+01 volume 0.29413E-02 ppm1 8.038 ppm2 4.268 CV 1
ASSI { 416}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 19 and name HA ))
3.500 1.500 1.500 peak 416 spectrum 1 weight 0.11000E+01 volume 0.12469E-02 ppm1 8.038 ppm2 4.073 CV 1
ASSI { 417}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 21 and name HB1 ))
5.600 4.000 0.400 peak 417 spectrum 1 weight 0.11000E+01 volume 0.28891E-03 ppm1 8.037 ppm2 3.688 CV 1
ASSI { 418}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 20 and name HB1 ))
2.400 0.700 0.700 peak 418 spectrum 1 weight 0.11000E+01 volume 0.81322E-02 ppm1 8.038 ppm2 3.295 CV 1
OR { 418}
(( segid "FecA" and resid 20 and name HN ))
(( segid "FecA" and resid 20 and name HB2 ))
ASSI { 419}
(( segid "FecA" and resid 20 and name HN ))
( segid "FecA" and resid 19 and name HB% )
3.100 1.200 1.200 peak 419 spectrum 1 weight 0.11000E+01 volume 0.28236E-02 ppm1 8.038 ppm2 1.453 CV 1
ASSI { 420}
(( segid "FecA" and resid 20 and name HN ))
( segid "FecA" and resid 18 and name HB% )
5.200 3.400 0.800 peak 420 spectrum 1 weight 0.11000E+01 volume 0.27585E-03 ppm1 8.038 ppm2 0.995 CV 1
ASSI { 421}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 14 and name HN ))
2.300 0.700 0.700 peak 421 spectrum 1 weight 0.11000E+01 volume 0.60898E-02 ppm1 7.824 ppm2 8.611 CV 1
ASSI { 422}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 15 and name HD22))
6.000 5.300 0.000 peak 422 spectrum 1 weight 0.11000E+01 volume 0.23451E-03 ppm1 7.821 ppm2 6.907 CV 1
ASSI { 423}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 15 and name HA ))
3.000 1.100 1.100 peak 423 spectrum 1 weight 0.11000E+01 volume 0.23754E-02 ppm1 7.824 ppm2 4.371 CV 1
ASSI { 424}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 12 and name HA ))
3.300 1.300 1.300 peak 424 spectrum 1 weight 0.11000E+01 volume 0.20954E-02 ppm1 7.824 ppm2 4.059 CV 1
ASSI { 425}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 14 and name HA ))
3.600 1.600 1.600 peak 425 spectrum 1 weight 0.11000E+01 volume 0.88978E-03 ppm1 7.824 ppm2 3.887 CV 1
ASSI { 426}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 15 and name HB2 ))
2.500 0.800 0.800 peak 426 spectrum 1 weight 0.11000E+01 volume 0.61103E-02 ppm1 7.824 ppm2 2.905 CV 1
ASSI { 427}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 15 and name HB1 ))
2.400 0.700 0.700 peak 427 spectrum 1 weight 0.11000E+01 volume 0.64121E-02 ppm1 7.824 ppm2 2.763 CV 1
ASSI { 428}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 14 and name HB2 ))
2.500 0.800 0.800 peak 428 spectrum 1 weight 0.11000E+01 volume 0.36997E-02 ppm1 7.825 ppm2 1.964 CV 1
ASSI { 429}
(( segid "FecA" and resid 15 and name HN ))
(( segid "FecA" and resid 14 and name HB1 ))
3.500 1.500 1.500 peak 429 spectrum 1 weight 0.11000E+01 volume 0.22362E-02 ppm1 7.824 ppm2 1.311 CV 1
ASSI { 430}
(( segid "FecA" and resid 15 and name HN ))
( segid "FecA" and resid 14 and name HD1%)
4.300 2.300 1.700 peak 430 spectrum 1 weight 0.11000E+01 volume 0.13067E-02 ppm1 7.824 ppm2 0.743 CV 1
ASSI { 432}
(( segid "FecA" and resid 67 and name HN ))
(( segid "FecA" and resid 67 and name HA ))
2.700 0.900 0.900 peak 432 spectrum 1 weight 0.11000E+01 volume 0.42884E-02 ppm1 8.779 ppm2 4.417 CV 1
ASSI { 433}
(( segid "FecA" and resid 67 and name HN ))
(( segid "FecA" and resid 66 and name HA ))
3.200 1.300 1.300 peak 433 spectrum 1 weight 0.11000E+01 volume 0.16784E-02 ppm1 8.778 ppm2 4.283 CV 1
ASSI { 434}
(( segid "FecA" and resid 67 and name HN ))
(( segid "FecA" and resid 67 and name HB2 ))
4.200 2.200 1.800 peak 434 spectrum 1 weight 0.11000E+01 volume 0.44541E-03 ppm1 8.777 ppm2 3.352 CV 1
ASSI { 435}
(( segid "FecA" and resid 67 and name HN ))
(( segid "FecA" and resid 67 and name HB1 ))
3.800 1.800 1.800 peak 435 spectrum 1 weight 0.11000E+01 volume 0.10638E-02 ppm1 8.776 ppm2 2.652 CV 1
ASSI { 436}
(( segid "FecA" and resid 67 and name HN ))
(( segid "FecA" and resid 66 and name HB2 ))
5.900 4.400 0.100 peak 436 spectrum 1 weight 0.11000E+01 volume 0.70949E-04 ppm1 8.778 ppm2 2.844 CV 1
ASSI { 439}
(( segid "FecA" and resid 56 and name HN ))
(( segid "FecA" and resid 55 and name HA ))
2.500 0.800 0.800 peak 439 spectrum 1 weight 0.11000E+01 volume 0.53183E-02 ppm1 8.906 ppm2 4.506 CV 1
ASSI { 440}
(( segid "FecA" and resid 56 and name HN ))
(( segid "FecA" and resid 56 and name HA1 ))
3.300 1.400 1.400 peak 440 spectrum 1 weight 0.11000E+01 volume 0.21045E-02 ppm1 8.906 ppm2 3.834 CV 1
ASSI { 441}
(( segid "FecA" and resid 56 and name HN ))
(( segid "FecA" and resid 56 and name HA2 ))
2.600 0.800 0.800 peak 441 spectrum 1 weight 0.11000E+01 volume 0.43496E-02 ppm1 8.904 ppm2 4.393 CV 1
ASSI { 442}
(( segid "FecA" and resid 56 and name HN ))
(( segid "FecA" and resid 55 and name HB2 ))
5.000 3.100 1.000 peak 442 spectrum 1 weight 0.11000E+01 volume 0.78610E-03 ppm1 8.907 ppm2 2.860 CV 1
ASSI { 443}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 62 and name HN ))
3.100 1.200 1.200 peak 443 spectrum 1 weight 0.11000E+01 volume 0.14998E-02 ppm1 9.134 ppm2 8.777 CV 1
ASSI { 445}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 69 and name HA ))
2.200 0.600 0.600 peak 445 spectrum 1 weight 0.11000E+01 volume 0.65553E-02 ppm1 9.134 ppm2 5.064 CV 1
ASSI { 446}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 70 and name HB ))
3.600 1.600 1.600 peak 446 spectrum 1 weight 0.11000E+01 volume 0.91990E-03 ppm1 9.135 ppm2 4.140 CV 1
ASSI { 447}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 63 and name HA ))
4.200 2.200 1.800 peak 447 spectrum 1 weight 0.11000E+01 volume 0.58925E-03 ppm1 9.134 ppm2 3.982 CV 1
ASSI { 448}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 61 and name HA ))
4.700 2.800 1.300 peak 448 spectrum 1 weight 0.11000E+01 volume 0.42429E-03 ppm1 9.133 ppm2 4.800 CV 1
ASSI { 449}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 69 and name HB2 ))
3.500 1.500 1.500 peak 449 spectrum 1 weight 0.11000E+01 volume 0.17649E-02 ppm1 9.133 ppm2 3.051 CV 1
ASSI { 450}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 69 and name HB1 ))
3.000 1.100 1.100 peak 450 spectrum 1 weight 0.11000E+01 volume 0.12110E-02 ppm1 9.134 ppm2 2.816 CV 1
ASSI { 451}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 62 and name HB2 ))
4.000 2.000 2.000 peak 451 spectrum 1 weight 0.11000E+01 volume 0.61831E-03 ppm1 9.136 ppm2 1.680 CV 1
ASSI { 452}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 62 and name HB1 ))
3.800 1.800 1.800 peak 452 spectrum 1 weight 0.11000E+01 volume 0.87223E-03 ppm1 9.134 ppm2 1.544 CV 1
ASSI { 453}
(( segid "FecA" and resid 70 and name HN ))
(( segid "FecA" and resid 62 and name HG2 ))
3.500 3.500 2.500 peak 453 spectrum 1 weight 0.11000E+01 volume 0.19219E-02 ppm1 9.133 ppm2 1.348 CV 1
ASSI { 454}
(( segid "FecA" and resid 70 and name HN ))
( segid "FecA" and resid 70 and name HG2%)
2.800 2.800 3.200 peak 454 spectrum 1 weight 0.11000E+01 volume 0.31947E-02 ppm1 9.134 ppm2 1.189 CV 1
ASSI { 455}
(( segid "FecA" and resid 70 and name HN ))
( segid "FecA" and resid 61 and name HG2%)
3.200 3.200 2.800 peak 455 spectrum 1 weight 0.11000E+01 volume 0.19481E-02 ppm1 9.135 ppm2 0.846 CV 1
ASSI { 458}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 13 and name HA ))
3.200 1.300 1.300 peak 458 spectrum 1 weight 0.11000E+01 volume 0.23703E-02 ppm1 8.612 ppm2 4.061 CV 1
ASSI { 459}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 14 and name HA ))
2.800 1.000 1.000 peak 459 spectrum 1 weight 0.11000E+01 volume 0.24735E-02 ppm1 8.611 ppm2 3.893 CV 1
ASSI { 460}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 14 and name HB2 ))
2.200 0.600 0.600 peak 460 spectrum 1 weight 0.11000E+01 volume 0.74084E-02 ppm1 8.612 ppm2 1.958 CV 1
ASSI { 461}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 14 and name HG ))
2.000 0.500 0.500 peak 461 spectrum 1 weight 0.11000E+01 volume 0.83864E-02 ppm1 8.612 ppm2 1.830 CV 1
ASSI { 462}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 14 and name HB1 ))
3.100 1.200 1.200 peak 462 spectrum 1 weight 0.11000E+01 volume 0.56888E-02 ppm1 8.612 ppm2 1.336 CV 1
ASSI { 463}
(( segid "FecA" and resid 14 and name HN ))
( segid "FecA" and resid 10 and name HD1%)
3.100 1.200 1.200 peak 463 spectrum 1 weight 0.11000E+01 volume 0.37209E-02 ppm1 8.612 ppm2 0.886 CV 1
ASSI { 464}
(( segid "FecA" and resid 14 and name HN ))
( segid "FecA" and resid 14 and name HD1%)
3.300 1.400 1.400 peak 464 spectrum 1 weight 0.11000E+01 volume 0.41783E-02 ppm1 8.612 ppm2 0.736 CV 1
ASSI { 465}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 465 spectrum 1 weight 0.11000E+01 volume 0.10769E-03 ppm1 8.612 ppm2 2.915 CV 1
ASSI { 466}
(( segid "FecA" and resid 14 and name HN ))
(( segid "FecA" and resid 15 and name HB1 ))
6.000 5.000 0.000 peak 466 spectrum 1 weight 0.11000E+01 volume 0.94361E-04 ppm1 8.611 ppm2 2.734 CV 1
ASSI { 467}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 49 and name HN ))
4.800 2.900 1.200 peak 467 spectrum 1 weight 0.11000E+01 volume 0.25595E-03 ppm1 7.798 ppm2 8.975 CV 1
ASSI { 469}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 53 and name HN ))
3.800 1.800 1.800 peak 469 spectrum 1 weight 0.11000E+01 volume 0.79027E-03 ppm1 7.799 ppm2 8.243 CV 1
ASSI { 470}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 48 and name HA ))
3.300 1.400 1.400 peak 470 spectrum 1 weight 0.11000E+01 volume 0.14046E-02 ppm1 7.798 ppm2 4.266 CV 1
ASSI { 471}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 51 and name HA ))
2.700 0.900 0.900 peak 471 spectrum 1 weight 0.11000E+01 volume 0.38798E-02 ppm1 7.800 ppm2 3.793 CV 1
ASSI { 472}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 47 and name HA ))
4.100 2.100 1.900 peak 472 spectrum 1 weight 0.11000E+01 volume 0.35446E-03 ppm1 7.799 ppm2 3.265 CV 1
ASSI { 473}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 51 and name HG2 ))
3.900 1.900 1.900 peak 473 spectrum 1 weight 0.11000E+01 volume 0.31390E-02 ppm1 7.800 ppm2 2.500 CV 1
ASSI { 474}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 51 and name HB2 ))
2.300 0.700 0.700 peak 474 spectrum 1 weight 0.11000E+01 volume 0.67426E-02 ppm1 7.800 ppm2 2.193 CV 1
ASSI { 475}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 51 and name HB1 ))
2.400 0.700 0.700 peak 475 spectrum 1 weight 0.11000E+01 volume 0.78146E-02 ppm1 7.800 ppm2 2.081 CV 1
ASSI { 476}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 50 and name HB2 ))
2.500 0.800 0.800 peak 476 spectrum 1 weight 0.11000E+01 volume 0.26500E-02 ppm1 7.800 ppm2 1.652 CV 1
ASSI { 477}
(( segid "FecA" and resid 51 and name HN ))
(( segid "FecA" and resid 50 and name HB1 ))
3.400 1.500 1.500 peak 477 spectrum 1 weight 0.11000E+01 volume 0.25790E-02 ppm1 7.800 ppm2 0.922 CV 1
ASSI { 478}
(( segid "FecA" and resid 51 and name HN ))
( segid "FecA" and resid 50 and name HD2%)
4.900 3.000 1.100 peak 478 spectrum 1 weight 0.11000E+01 volume 0.70321E-03 ppm1 7.800 ppm2 0.634 CV 1
ASSI { 479}
(( segid "FecA" and resid 51 and name HN ))
( segid "FecA" and resid 50 and name HD1%)
5.600 3.900 0.400 peak 479 spectrum 1 weight 0.11000E+01 volume 0.24648E-03 ppm1 7.802 ppm2 -0.221 CV 1
ASSI { 480}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 24 and name HN ))
4.600 2.700 1.400 peak 480 spectrum 1 weight 0.11000E+01 volume 0.53727E-03 ppm1 7.236 ppm2 8.546 CV 1
ASSI { 481}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 21 and name HN ))
4.700 2.800 1.300 peak 481 spectrum 1 weight 0.11000E+01 volume 0.81816E-03 ppm1 7.235 ppm2 8.122 CV 1
ASSI { 482}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 22 and name HN ))
2.900 1.100 1.100 peak 482 spectrum 1 weight 0.11000E+01 volume 0.32299E-02 ppm1 7.238 ppm2 7.863 CV 1
ASSI { 483}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 67 and name HD21))
4.600 2.700 1.400 peak 483 spectrum 1 weight 0.11000E+01 volume 0.54463E-03 ppm1 7.238 ppm2 7.695 CV 1
ASSI { 484}
(( segid "FecA" and resid 23 and name HN ))
( segid "FecA" and resid 23 and name HD% )
3.400 1.500 1.500 peak 484 spectrum 1 weight 0.11000E+01 volume 0.98665E-03 ppm1 7.243 ppm2 6.852 CV 1
ASSI { 485}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 23 and name HA ))
3.100 1.200 1.200 peak 485 spectrum 1 weight 0.11000E+01 volume 0.17257E-02 ppm1 7.237 ppm2 5.312 CV 1
ASSI { 486}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 22 and name HA2 ))
2.900 1.100 1.100 peak 486 spectrum 1 weight 0.11000E+01 volume 0.18432E-02 ppm1 7.237 ppm2 4.034 CV 1
ASSI { 487}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 22 and name HA1 ))
3.600 1.600 1.600 peak 487 spectrum 1 weight 0.11000E+01 volume 0.32875E-02 ppm1 7.238 ppm2 3.876 CV 1
ASSI { 488}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 21 and name HB1 ))
4.200 2.200 1.800 peak 488 spectrum 1 weight 0.11000E+01 volume 0.57797E-03 ppm1 7.238 ppm2 3.669 CV 1
ASSI { 489}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 23 and name HB2 ))
3.700 1.700 1.700 peak 489 spectrum 1 weight 0.11000E+01 volume 0.11672E-02 ppm1 7.238 ppm2 3.416 CV 1
ASSI { 490}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 23 and name HB1 ))
3.500 1.500 1.500 peak 490 spectrum 1 weight 0.11000E+01 volume 0.11583E-02 ppm1 7.237 ppm2 3.007 CV 1
ASSI { 491}
(( segid "FecA" and resid 23 and name HN ))
(( segid "FecA" and resid 18 and name HA ))
3.300 1.300 1.300 peak 491 spectrum 1 weight 0.11000E+01 volume 0.13166E-02 ppm1 7.237 ppm2 2.136 CV 1
ASSI { 492}
(( segid "FecA" and resid 23 and name HN ))
( segid "FecA" and resid 18 and name HB% )
3.700 1.700 1.700 peak 492 spectrum 1 weight 0.11000E+01 volume 0.10287E-02 ppm1 7.238 ppm2 0.998 CV 1
ASSI { 493}
(( segid "FecA" and resid 23 and name HN ))
( segid "FecA" and resid 25 and name HD1%)
5.300 3.500 0.700 peak 493 spectrum 1 weight 0.11000E+01 volume 0.22834E-03 ppm1 7.238 ppm2 0.882 CV 1
ASSI { 494}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 53 and name HN ))
2.600 0.900 0.900 peak 494 spectrum 1 weight 0.11000E+01 volume 0.32646E-02 ppm1 7.665 ppm2 8.217 CV 1
ASSI { 496}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 54 and name HA ))
3.000 1.100 1.100 peak 496 spectrum 1 weight 0.11000E+01 volume 0.23230E-02 ppm1 7.666 ppm2 4.147 CV 1
ASSI { 497}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 53 and name HA ))
3.000 1.100 1.100 peak 497 spectrum 1 weight 0.11000E+01 volume 0.21256E-02 ppm1 7.665 ppm2 3.789 CV 1
ASSI { 498}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 55 and name HB2 ))
5.300 3.500 0.700 peak 498 spectrum 1 weight 0.11000E+01 volume 0.24826E-03 ppm1 7.663 ppm2 2.902 CV 1
ASSI { 499}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 55 and name HB1 ))
5.600 3.900 0.400 peak 499 spectrum 1 weight 0.11000E+01 volume 0.28056E-03 ppm1 7.663 ppm2 2.782 CV 1
ASSI { 500}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 54 and name HB2 ))
2.000 0.500 0.500 peak 500 spectrum 1 weight 0.11000E+01 volume 0.10917E-01 ppm1 7.666 ppm2 1.800 CV 1
ASSI { 501}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 54 and name HB1 ))
3.600 1.600 1.600 peak 501 spectrum 1 weight 0.11000E+01 volume 0.30711E-02 ppm1 7.666 ppm2 1.607 CV 1
ASSI { 502}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 53 and name HG ))
4.900 3.000 1.100 peak 502 spectrum 1 weight 0.11000E+01 volume 0.37477E-03 ppm1 7.664 ppm2 1.358 CV 1
ASSI { 503}
(( segid "FecA" and resid 54 and name HN ))
(( segid "FecA" and resid 53 and name HB1 ))
3.600 1.600 1.600 peak 503 spectrum 1 weight 0.11000E+01 volume 0.12268E-02 ppm1 7.667 ppm2 1.094 CV 1
ASSI { 504}
(( segid "FecA" and resid 54 and name HN ))
( segid "FecA" and resid 54 and name HD2%)
3.300 1.300 1.300 peak 504 spectrum 1 weight 0.11000E+01 volume 0.26666E-02 ppm1 7.666 ppm2 0.830 CV 1
ASSI { 505}
(( segid "FecA" and resid 54 and name HN ))
( segid "FecA" and resid 54 and name HD1%)
3.600 1.600 1.600 peak 505 spectrum 1 weight 0.11000E+01 volume 0.19693E-02 ppm1 7.666 ppm2 0.637 CV 1
ASSI { 507}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 47 and name HN ))
2.500 0.800 0.800 peak 507 spectrum 1 weight 0.11000E+01 volume 0.38017E-02 ppm1 8.145 ppm2 8.360 CV 1
ASSI { 508}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 48 and name HA ))
2.900 1.000 1.000 peak 508 spectrum 1 weight 0.11000E+01 volume 0.29266E-02 ppm1 8.144 ppm2 4.265 CV 1
ASSI { 509}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 48 and name HB1 ))
2.600 0.900 0.900 peak 509 spectrum 1 weight 0.11000E+01 volume 0.55035E-02 ppm1 8.144 ppm2 4.070 CV 1
ASSI { 510}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 46 and name HA ))
4.200 4.200 1.800 peak 510 spectrum 1 weight 0.11000E+01 volume 0.52964E-03 ppm1 8.147 ppm2 3.704 CV 1
ASSI { 511}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 47 and name HA ))
3.600 1.600 1.600 peak 511 spectrum 1 weight 0.11000E+01 volume 0.90874E-03 ppm1 8.145 ppm2 3.265 CV 1
ASSI { 512}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 45 and name HB2 ))
3.700 1.700 1.700 peak 512 spectrum 1 weight 0.11000E+01 volume 0.46703E-03 ppm1 8.146 ppm2 3.027 CV 1
ASSI { 513}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 47 and name HB2 ))
2.900 1.000 1.000 peak 513 spectrum 1 weight 0.11000E+01 volume 0.30300E-02 ppm1 8.144 ppm2 2.088 CV 1
ASSI { 514}
(( segid "FecA" and resid 48 and name HN ))
(( segid "FecA" and resid 47 and name HB1 ))
3.000 1.100 1.100 peak 514 spectrum 1 weight 0.11000E+01 volume 0.28379E-02 ppm1 8.145 ppm2 1.980 CV 1
ASSI { 515}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 56 and name HN ))
2.600 0.800 0.800 peak 515 spectrum 1 weight 0.11000E+01 volume 0.41743E-02 ppm1 8.579 ppm2 8.876 CV 1
ASSI { 516}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 59 and name HN ))
3.900 1.900 1.900 peak 516 spectrum 1 weight 0.11000E+01 volume 0.82238E-03 ppm1 8.580 ppm2 8.074 CV 1
ASSI { 517}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 57 and name HG ))
2.800 1.000 1.000 peak 517 spectrum 1 weight 0.11000E+01 volume 0.38190E-02 ppm1 8.579 ppm2 6.255 CV 1
ASSI { 518}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 55 and name HA ))
4.000 2.000 2.000 peak 518 spectrum 1 weight 0.11000E+01 volume 0.24999E-02 ppm1 8.580 ppm2 4.498 CV 1
ASSI { 519}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 57 and name HA ))
2.800 1.000 1.000 peak 519 spectrum 1 weight 0.11000E+01 volume 0.40080E-02 ppm1 8.580 ppm2 4.364 CV 1
ASSI { 520}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 57 and name HB2 ))
3.100 1.200 1.200 peak 520 spectrum 1 weight 0.11000E+01 volume 0.40537E-02 ppm1 8.580 ppm2 4.150 CV 1
ASSI { 521}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 57 and name HB1 ))
2.800 1.000 1.000 peak 521 spectrum 1 weight 0.11000E+01 volume 0.32378E-02 ppm1 8.580 ppm2 3.800 CV 1
ASSI { 522}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 54 and name HB2 ))
4.700 2.700 1.300 peak 522 spectrum 1 weight 0.11000E+01 volume 0.50865E-03 ppm1 8.582 ppm2 1.799 CV 1
ASSI { 523}
(( segid "FecA" and resid 57 and name HN ))
(( segid "FecA" and resid 54 and name HB1 ))
3.700 1.700 1.700 peak 523 spectrum 1 weight 0.11000E+01 volume 0.69822E-03 ppm1 8.576 ppm2 1.593 CV 1
ASSI { 524}
(( segid "FecA" and resid 57 and name HN ))
( segid "FecA" and resid 54 and name HD2%)
4.100 2.100 1.900 peak 524 spectrum 1 weight 0.11000E+01 volume 0.88256E-03 ppm1 8.581 ppm2 0.823 CV 1
ASSI { 526}
(( segid "FecA" and resid 34 and name HN ))
(( segid "FecA" and resid 34 and name HA2 ))
2.800 1.000 1.000 peak 526 spectrum 1 weight 0.11000E+01 volume 0.23283E-02 ppm1 9.135 ppm2 4.147 CV 1
ASSI { 527}
(( segid "FecA" and resid 34 and name HN ))
(( segid "FecA" and resid 34 and name HA1 ))
3.900 1.900 1.900 peak 527 spectrum 1 weight 0.11000E+01 volume 0.86565E-03 ppm1 9.136 ppm2 3.798 CV 1
ASSI { 528}
(( segid "FecA" and resid 34 and name HN ))
(( segid "FecA" and resid 33 and name HG2 ))
5.400 3.600 0.600 peak 528 spectrum 1 weight 0.11000E+01 volume 0.12811E-03 ppm1 9.139 ppm2 1.692 CV 1
ASSI { 529}
(( segid "FecA" and resid 38 and name HD22))
(( segid "FecA" and resid 38 and name HD21))
1.700 0.400 0.500 peak 529 spectrum 1 weight 0.11000E+01 volume 0.12306E-01 ppm1 6.971 ppm2 7.733 CV 1
ASSI { 531}
(( segid "FecA" and resid 38 and name HD21))
(( segid "FecA" and resid 36 and name HA ))
3.500 3.500 2.500 peak 531 spectrum 1 weight 0.11000E+01 volume 0.32153E-03 ppm1 7.730 ppm2 4.776 CV 1
ASSI { 532}
(( segid "FecA" and resid 38 and name HD21))
(( segid "FecA" and resid 38 and name HB1 ))
3.500 1.600 1.600 peak 532 spectrum 1 weight 0.11000E+01 volume 0.21093E-02 ppm1 7.729 ppm2 2.893 CV 1
ASSI { 533}
(( segid "FecA" and resid 38 and name HD22))
(( segid "FecA" and resid 38 and name HB1 ))
4.400 2.400 1.600 peak 533 spectrum 1 weight 0.11000E+01 volume 0.11250E-02 ppm1 6.973 ppm2 2.903 CV 1
ASSI { 534}
(( segid "FecA" and resid 38 and name HD21))
(( segid "FecA" and resid 38 and name HN ))
4.100 4.100 1.900 peak 534 spectrum 1 weight 0.11000E+01 volume 0.65413E-04 ppm1 7.730 ppm2 9.032 CV 1
ASSI { 535}
(( segid "FecA" and resid 52 and name HE21))
(( segid "FecA" and resid 52 and name HE22))
1.800 0.400 0.400 peak 535 spectrum 1 weight 0.11000E+01 volume 0.14682E-01 ppm1 7.428 ppm2 6.787 CV 1
ASSI { 538}
(( segid "FecA" and resid 52 and name HE21))
(( segid "FecA" and resid 52 and name HG2 ))
3.500 1.600 1.600 peak 538 spectrum 1 weight 0.11000E+01 volume 0.52443E-03 ppm1 7.429 ppm2 2.261 CV 1
ASSI { 539}
(( segid "FecA" and resid 52 and name HE21))
(( segid "FecA" and resid 52 and name HG1 ))
3.300 1.400 1.400 peak 539 spectrum 1 weight 0.11000E+01 volume 0.13444E-02 ppm1 7.427 ppm2 2.127 CV 1
ASSI { 540}
(( segid "FecA" and resid 52 and name HE22))
(( segid "FecA" and resid 55 and name HB2 ))
6.000 5.200 0.000 peak 540 spectrum 1 weight 0.11000E+01 volume 0.28143E-04 ppm1 6.785 ppm2 2.878 CV 1
ASSI { 541}
(( segid "FecA" and resid 52 and name HE22))
(( segid "FecA" and resid 52 and name HG1 ))
5.000 3.100 1.000 peak 541 spectrum 1 weight 0.11000E+01 volume 0.39646E-03 ppm1 6.784 ppm2 2.117 CV 1
ASSI { 543}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 29 and name HN ))
3.200 1.300 1.300 peak 543 spectrum 1 weight 0.11000E+01 volume 0.27089E-02 ppm1 8.659 ppm2 8.849 CV 1
ASSI { 544}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 28 and name HA ))
4.500 2.600 1.500 peak 544 spectrum 1 weight 0.11000E+01 volume 0.52688E-03 ppm1 8.658 ppm2 4.630 CV 1
ASSI { 545}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 30 and name HB2 ))
2.800 2.800 3.200 peak 545 spectrum 1 weight 0.11000E+01 volume 0.56827E-02 ppm1 8.658 ppm2 4.120 CV 1
OR { 545}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 30 and name HB1 ))
ASSI { 546}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 30 and name HA ))
2.600 2.600 3.400 peak 546 spectrum 1 weight 0.11000E+01 volume 0.63745E-02 ppm1 8.658 ppm2 3.943 CV 1
ASSI { 547}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 28 and name HB2 ))
4.500 2.500 1.500 peak 547 spectrum 1 weight 0.11000E+01 volume 0.48684E-03 ppm1 8.659 ppm2 2.801 CV 1
ASSI { 548}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 31 and name HB2 ))
5.100 3.300 0.900 peak 548 spectrum 1 weight 0.11000E+01 volume 0.40371E-03 ppm1 8.659 ppm2 1.928 CV 1
ASSI { 549}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 31 and name HG ))
4.800 2.900 1.200 peak 549 spectrum 1 weight 0.11000E+01 volume 0.35092E-03 ppm1 8.654 ppm2 1.705 CV 1
ASSI { 550}
(( segid "FecA" and resid 30 and name HN ))
(( segid "FecA" and resid 31 and name HB1 ))
4.400 2.500 1.600 peak 550 spectrum 1 weight 0.11000E+01 volume 0.21517E-02 ppm1 8.659 ppm2 1.481 CV 1
ASSI { 551}
(( segid "FecA" and resid 30 and name HN ))
( segid "FecA" and resid 31 and name HD1%)
6.000 6.000 0.000 peak 551 spectrum 1 weight 0.11000E+01 volume 0.17574E-03 ppm1 8.659 ppm2 0.966 CV 1
ASSI { 552}
(( segid "FecA" and resid 30 and name HN ))
( segid "FecA" and resid 31 and name HD2%)
5.300 5.300 0.700 peak 552 spectrum 1 weight 0.11000E+01 volume 0.33666E-03 ppm1 8.658 ppm2 0.812 CV 1
ASSI { 553}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 50 and name HN ))
2.600 0.800 0.800 peak 553 spectrum 1 weight 0.11000E+01 volume 0.34301E-02 ppm1 8.965 ppm2 8.400 CV 1
ASSI { 554}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 48 and name HN ))
2.500 0.800 0.800 peak 554 spectrum 1 weight 0.11000E+01 volume 0.47171E-02 ppm1 8.967 ppm2 8.148 CV 1
ASSI { 555}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 8 and name HN ))
3.100 1.200 1.200 peak 555 spectrum 1 weight 0.11000E+01 volume 0.21323E-02 ppm1 8.951 ppm2 8.042 CV 1
ASSI { 556}
(( segid "FecA" and resid 49 and name HN ))
( segid "FecA" and resid 17 and name HE% )
4.200 2.200 1.800 peak 556 spectrum 1 weight 0.11000E+01 volume 0.63334E-03 ppm1 8.964 ppm2 6.707 CV 1
ASSI { 557}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 37 and name HA ))
2.800 0.900 0.900 peak 557 spectrum 1 weight 0.11000E+01 volume 0.29304E-02 ppm1 8.950 ppm2 4.930 CV 1
ASSI { 558}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 36 and name HA ))
2.200 0.600 0.600 peak 558 spectrum 1 weight 0.11000E+01 volume 0.71988E-02 ppm1 8.948 ppm2 4.744 CV 1
ASSI { 559}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 9 and name HA ))
3.700 1.700 1.700 peak 559 spectrum 1 weight 0.11000E+01 volume 0.17105E-02 ppm1 8.946 ppm2 4.370 CV 1
ASSI { 560}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 48 and name HA ))
2.900 1.100 1.100 peak 560 spectrum 1 weight 0.11000E+01 volume 0.31911E-02 ppm1 8.963 ppm2 4.254 CV 1
ASSI { 561}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 48 and name HB2 ))
2.900 1.100 1.100 peak 561 spectrum 1 weight 0.11000E+01 volume 0.37074E-02 ppm1 8.965 ppm2 4.074 CV 1
OR { 561}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 48 and name HB1 ))
ASSI { 562}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 49 and name HA2 ))
2.600 0.900 0.900 peak 562 spectrum 1 weight 0.11000E+01 volume 0.74101E-02 ppm1 8.966 ppm2 3.697 CV 1
ASSI { 563}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 37 and name HB1 ))
2.400 0.700 0.700 peak 563 spectrum 1 weight 0.11000E+01 volume 0.48879E-02 ppm1 8.955 ppm2 3.224 CV 1
ASSI { 564}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 49 and name HA1 ))
2.500 0.800 0.800 peak 564 spectrum 1 weight 0.11000E+01 volume 0.36937E-02 ppm1 8.966 ppm2 3.035 CV 1
ASSI { 565}
(( segid "FecA" and resid 49 and name HN ))
(( segid "FecA" and resid 44 and name HB1 ))
3.000 1.200 1.200 peak 565 spectrum 1 weight 0.11000E+01 volume 0.22799E-02 ppm1 8.965 ppm2 2.371 CV 1
ASSI { 566}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 36 and name HB2 ))
3.100 1.200 1.200 peak 566 spectrum 1 weight 0.11000E+01 volume 0.33177E-02 ppm1 8.949 ppm2 2.138 CV 1
ASSI { 567}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 36 and name HB1 ))
3.500 1.500 1.500 peak 567 spectrum 1 weight 0.11000E+01 volume 0.23544E-02 ppm1 8.947 ppm2 1.895 CV 1
ASSI { 568}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 35 and name HG2 ))
3.100 3.100 2.900 peak 568 spectrum 1 weight 0.11000E+01 volume 0.62383E-03 ppm1 8.951 ppm2 1.367 CV 1
OR { 568}
(( segid "FecA" and resid 37 and name HN ))
(( segid "FecA" and resid 35 and name HG1 ))
ASSI { 569}
(( segid "FecA" and resid 37 and name HN ))
( segid "FecA" and resid 10 and name HD1%)
4.400 2.500 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.85373E-03 ppm1 8.955 ppm2 0.891 CV 1
ASSI { 570}
(( segid "FecA" and resid 49 and name HN ))
( segid "FecA" and resid 40 and name HD2%)
4.900 3.000 1.100 peak 570 spectrum 1 weight 0.11000E+01 volume 0.57326E-03 ppm1 8.967 ppm2 -0.035 CV 1
ASSI { 572}
(( segid "FecA" and resid 42 and name HN ))
( segid "FecA" and resid 44 and name HE% )
6.000 4.700 0.000 peak 572 spectrum 1 weight 0.11000E+01 volume 0.55628E-04 ppm1 8.419 ppm2 6.502 CV 1
ASSI { 573}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 41 and name HA ))
2.400 0.700 0.700 peak 573 spectrum 1 weight 0.11000E+01 volume 0.55594E-02 ppm1 8.416 ppm2 5.455 CV 1
ASSI { 574}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 4 and name HA ))
3.300 3.300 2.700 peak 574 spectrum 1 weight 0.11000E+01 volume 0.43143E-03 ppm1 8.416 ppm2 5.174 CV 1
ASSI { 575}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 42 and name HA2 ))
3.100 1.200 1.200 peak 575 spectrum 1 weight 0.11000E+01 volume 0.19272E-02 ppm1 8.415 ppm2 4.349 CV 1
ASSI { 576}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 42 and name HA1 ))
2.900 1.100 1.100 peak 576 spectrum 1 weight 0.11000E+01 volume 0.20864E-02 ppm1 8.417 ppm2 3.778 CV 1
ASSI { 577}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 44 and name HB2 ))
4.700 4.700 1.300 peak 577 spectrum 1 weight 0.11000E+01 volume 0.80201E-03 ppm1 8.415 ppm2 3.203 CV 1
ASSI { 578}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 2 and name HB1 ))
4.300 4.300 1.700 peak 578 spectrum 1 weight 0.11000E+01 volume 0.50497E-03 ppm1 8.420 ppm2 1.961 CV 1
ASSI { 579}
(( segid "FecA" and resid 42 and name HN ))
(( segid "FecA" and resid 40 and name HG ))
3.300 1.400 1.400 peak 579 spectrum 1 weight 0.11000E+01 volume 0.10119E-02 ppm1 8.417 ppm2 0.840 CV 1
ASSI { 581}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 19 and name HN ))
3.300 3.300 2.700 peak 581 spectrum 1 weight 0.11000E+01 volume 0.42657E-03 ppm1 8.127 ppm2 7.579 CV 1
ASSI { 582}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 20 and name HD2 ))
3.600 1.600 1.600 peak 582 spectrum 1 weight 0.11000E+01 volume 0.27241E-03 ppm1 8.122 ppm2 7.131 CV 1
ASSI { 583}
(( segid "FecA" and resid 21 and name HN ))
( segid "FecA" and resid 23 and name HD% )
4.100 2.100 1.900 peak 583 spectrum 1 weight 0.11000E+01 volume 0.58143E-03 ppm1 8.126 ppm2 6.879 CV 1
ASSI { 584}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 21 and name HA ))
3.000 1.100 1.100 peak 584 spectrum 1 weight 0.11000E+01 volume 0.23744E-02 ppm1 8.126 ppm2 4.396 CV 1
ASSI { 585}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 20 and name HA ))
3.700 1.700 1.700 peak 585 spectrum 1 weight 0.11000E+01 volume 0.10543E-02 ppm1 8.126 ppm2 4.272 CV 1
ASSI { 586}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 22 and name HA2 ))
5.500 3.800 0.500 peak 586 spectrum 1 weight 0.11000E+01 volume 0.44620E-03 ppm1 8.126 ppm2 4.052 CV 1
ASSI { 587}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 21 and name HB2 ))
2.800 1.000 1.000 peak 587 spectrum 1 weight 0.11000E+01 volume 0.25822E-02 ppm1 8.127 ppm2 3.874 CV 1
ASSI { 588}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 21 and name HB1 ))
2.900 1.000 1.000 peak 588 spectrum 1 weight 0.11000E+01 volume 0.29917E-02 ppm1 8.127 ppm2 3.658 CV 1
ASSI { 589}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 20 and name HB2 ))
2.500 0.800 0.800 peak 589 spectrum 1 weight 0.11000E+01 volume 0.40372E-02 ppm1 8.127 ppm2 3.295 CV 1
OR { 589}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 20 and name HB1 ))
ASSI { 590}
(( segid "FecA" and resid 21 and name HN ))
(( segid "FecA" and resid 18 and name HA ))
4.000 2.000 2.000 peak 590 spectrum 1 weight 0.11000E+01 volume 0.53251E-03 ppm1 8.126 ppm2 2.134 CV 1
ASSI { 591}
(( segid "FecA" and resid 21 and name HN ))
( segid "FecA" and resid 19 and name HB% )
4.700 4.700 1.300 peak 591 spectrum 1 weight 0.11000E+01 volume 0.51724E-04 ppm1 8.124 ppm2 1.478 CV 1
ASSI { 592}
(( segid "FecA" and resid 60 and name HE21))
(( segid "FecA" and resid 60 and name HE22))
1.800 0.400 0.400 peak 592 spectrum 1 weight 0.11000E+01 volume 0.14538E-01 ppm1 7.890 ppm2 6.817 CV 1
ASSI { 594}
(( segid "FecA" and resid 60 and name HE21))
(( segid "FecA" and resid 60 and name HG1 ))
2.800 1.000 1.000 peak 594 spectrum 1 weight 0.11000E+01 volume 0.29109E-02 ppm1 7.890 ppm2 2.138 CV 1
ASSI { 595}
(( segid "FecA" and resid 60 and name HE22))
(( segid "FecA" and resid 60 and name HG1 ))
3.800 1.800 1.800 peak 595 spectrum 1 weight 0.11000E+01 volume 0.20117E-02 ppm1 6.813 ppm2 2.134 CV 1
ASSI { 596}
(( segid "FecA" and resid 67 and name HD21))
(( segid "FecA" and resid 67 and name HD22))
1.800 0.400 0.400 peak 596 spectrum 1 weight 0.11000E+01 volume 0.13180E-01 ppm1 7.671 ppm2 7.124 CV 1
ASSI { 598}
(( segid "FecA" and resid 67 and name HD21))
(( segid "FecA" and resid 23 and name HA ))
4.500 2.500 1.500 peak 598 spectrum 1 weight 0.11000E+01 volume 0.33710E-03 ppm1 7.671 ppm2 5.306 CV 1
ASSI { 599}
(( segid "FecA" and resid 67 and name HD22))
(( segid "FecA" and resid 23 and name HA ))
4.500 2.500 1.500 peak 599 spectrum 1 weight 0.11000E+01 volume 0.46738E-03 ppm1 7.120 ppm2 5.299 CV 1
ASSI { 600}
(( segid "FecA" and resid 67 and name HD21))
(( segid "FecA" and resid 67 and name HB2 ))
3.300 1.300 1.300 peak 600 spectrum 1 weight 0.11000E+01 volume 0.17321E-02 ppm1 7.670 ppm2 3.364 CV 1
ASSI { 601}
(( segid "FecA" and resid 67 and name HD22))
(( segid "FecA" and resid 67 and name HB2 ))
4.600 2.600 1.400 peak 601 spectrum 1 weight 0.11000E+01 volume 0.91866E-03 ppm1 7.122 ppm2 3.365 CV 1
ASSI { 602}
(( segid "FecA" and resid 67 and name HD21))
(( segid "FecA" and resid 23 and name HB1 ))
5.300 3.500 0.700 peak 602 spectrum 1 weight 0.11000E+01 volume 0.52484E-04 ppm1 7.673 ppm2 3.009 CV 1
ASSI { 603}
(( segid "FecA" and resid 67 and name HD22))
(( segid "FecA" and resid 23 and name HB1 ))
4.100 2.100 1.900 peak 603 spectrum 1 weight 0.11000E+01 volume 0.31834E-03 ppm1 7.120 ppm2 3.009 CV 1
ASSI { 604}
(( segid "FecA" and resid 67 and name HD21))
(( segid "FecA" and resid 67 and name HB1 ))
3.400 1.500 1.500 peak 604 spectrum 1 weight 0.11000E+01 volume 0.66123E-03 ppm1 7.670 ppm2 2.661 CV 1
ASSI { 605}
(( segid "FecA" and resid 67 and name HD22))
(( segid "FecA" and resid 67 and name HB1 ))
5.700 4.000 0.300 peak 605 spectrum 1 weight 0.11000E+01 volume 0.22570E-03 ppm1 7.127 ppm2 2.665 CV 1
ASSI { 607}
(( segid "FecA" and resid 15 and name HD22))
(( segid "FecA" and resid 15 and name HD21))
1.700 0.300 0.500 peak 607 spectrum 1 weight 0.11000E+01 volume 0.27394E-01 ppm1 6.902 ppm2 7.535 CV 1
ASSI { 608}
(( segid "FecA" and resid 15 and name HD21))
(( segid "FecA" and resid 12 and name HA ))
4.500 2.500 1.500 peak 608 spectrum 1 weight 0.11000E+01 volume 0.32341E-03 ppm1 7.526 ppm2 4.056 CV 1
ASSI { 609}
(( segid "FecA" and resid 15 and name HD22))
(( segid "FecA" and resid 12 and name HA ))
4.600 2.600 1.400 peak 609 spectrum 1 weight 0.11000E+01 volume 0.65219E-04 ppm1 6.898 ppm2 4.055 CV 1
ASSI { 610}
(( segid "FecA" and resid 15 and name HD21))
(( segid "FecA" and resid 15 and name HB2 ))
3.500 1.500 1.500 peak 610 spectrum 1 weight 0.11000E+01 volume 0.77295E-03 ppm1 7.526 ppm2 2.908 CV 1
ASSI { 611}
(( segid "FecA" and resid 15 and name HD22))
(( segid "FecA" and resid 15 and name HB2 ))
4.600 2.600 1.400 peak 611 spectrum 1 weight 0.11000E+01 volume 0.64121E-03 ppm1 6.904 ppm2 2.897 CV 1
ASSI { 612}
(( segid "FecA" and resid 15 and name HD21))
(( segid "FecA" and resid 15 and name HB1 ))
4.200 2.200 1.800 peak 612 spectrum 1 weight 0.11000E+01 volume 0.21605E-03 ppm1 7.527 ppm2 2.743 CV 1
ASSI { 613}
(( segid "FecA" and resid 15 and name HD22))
(( segid "FecA" and resid 15 and name HB1 ))
5.100 3.200 0.900 peak 613 spectrum 1 weight 0.11000E+01 volume 0.34025E-03 ppm1 6.899 ppm2 2.734 CV 1
ASSI { 615}
(( segid "FecA" and resid 4 and name HD22))
(( segid "FecA" and resid 4 and name HD21))
1.600 0.300 0.600 peak 615 spectrum 1 weight 0.11000E+01 volume 0.31671E-01 ppm1 6.857 ppm2 7.581 CV 1
ASSI { 616}
(( segid "FecA" and resid 66 and name HD21))
(( segid "FecA" and resid 66 and name HB2 ))
4.300 2.300 1.700 peak 616 spectrum 1 weight 0.11000E+01 volume 0.31219E-03 ppm1 7.592 ppm2 2.868 CV 1
ASSI { 617}
(( segid "FecA" and resid 66 and name HD21))
(( segid "FecA" and resid 66 and name HB1 ))
3.600 1.600 1.600 peak 617 spectrum 1 weight 0.11000E+01 volume 0.63904E-03 ppm1 7.591 ppm2 2.623 CV 1
ASSI { 618}
(( segid "FecA" and resid 4 and name HD21))
(( segid "FecA" and resid 4 and name HB2 ))
3.600 1.600 1.600 peak 618 spectrum 1 weight 0.11000E+01 volume 0.54627E-03 ppm1 7.579 ppm2 2.772 CV 1
ASSI { 619}
(( segid "FecA" and resid 4 and name HD21))
(( segid "FecA" and resid 4 and name HB1 ))
4.000 2.000 2.000 peak 619 spectrum 1 weight 0.11000E+01 volume 0.61890E-03 ppm1 7.578 ppm2 2.546 CV 1
ASSI { 620}
(( segid "FecA" and resid 66 and name HD22))
(( segid "FecA" and resid 66 and name HB1 ))
5.100 3.300 0.900 peak 620 spectrum 1 weight 0.11000E+01 volume 0.38358E-03 ppm1 6.862 ppm2 2.618 CV 1
ASSI { 621}
(( segid "FecA" and resid 4 and name HD22))
(( segid "FecA" and resid 4 and name HB2 ))
5.400 3.600 0.600 peak 621 spectrum 1 weight 0.11000E+01 volume 0.28155E-03 ppm1 6.839 ppm2 2.772 CV 1
ASSI { 622}
(( segid "FecA" and resid 4 and name HD22))
(( segid "FecA" and resid 4 and name HB1 ))
5.500 3.800 0.500 peak 622 spectrum 1 weight 0.11000E+01 volume 0.28201E-03 ppm1 6.833 ppm2 2.545 CV 1
ASSI { 623}
(( segid "FecA" and resid 36 and name HE21))
(( segid "FecA" and resid 36 and name HE22))
1.800 0.400 0.400 peak 623 spectrum 1 weight 0.11000E+01 volume 0.16363E-01 ppm1 7.229 ppm2 6.706 CV 1
ASSI { 625}
(( segid "FecA" and resid 36 and name HE21))
(( segid "FecA" and resid 36 and name HG1 ))
3.800 1.900 1.900 peak 625 spectrum 1 weight 0.11000E+01 volume 0.49950E-03 ppm1 7.230 ppm2 2.259 CV 1
ASSI { 626}
(( segid "FecA" and resid 36 and name HE22))
(( segid "FecA" and resid 36 and name HG1 ))
6.000 6.000 0.000 peak 626 spectrum 1 weight 0.11000E+01 volume 0.39405E-04 ppm1 6.707 ppm2 2.253 CV 1
ASSI { 627}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 67 and name HN ))
3.000 1.100 1.100 peak 627 spectrum 1 weight 0.11000E+01 volume 0.22090E-02 ppm1 7.003 ppm2 8.775 CV 1
ASSI { 629}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 65 and name HN ))
3.400 1.400 1.400 peak 629 spectrum 1 weight 0.11000E+01 volume 0.11281E-02 ppm1 7.011 ppm2 7.604 CV 1
ASSI { 630}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 68 and name HA ))
3.100 1.200 1.200 peak 630 spectrum 1 weight 0.11000E+01 volume 0.16876E-02 ppm1 7.004 ppm2 5.685 CV 1
ASSI { 631}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 67 and name HA ))
3.000 1.100 1.100 peak 631 spectrum 1 weight 0.11000E+01 volume 0.31753E-02 ppm1 7.003 ppm2 4.417 CV 1
ASSI { 632}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 68 and name HB2 ))
2.800 1.000 1.000 peak 632 spectrum 1 weight 0.11000E+01 volume 0.39990E-02 ppm1 7.003 ppm2 3.618 CV 1
OR { 632}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 68 and name HB1 ))
ASSI { 633}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 67 and name HB2 ))
4.600 2.700 1.400 peak 633 spectrum 1 weight 0.11000E+01 volume 0.44756E-03 ppm1 7.001 ppm2 3.384 CV 1
ASSI { 634}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 67 and name HB1 ))
4.300 2.300 1.700 peak 634 spectrum 1 weight 0.11000E+01 volume 0.55524E-03 ppm1 7.005 ppm2 2.640 CV 1
ASSI { 635}
(( segid "FecA" and resid 68 and name HN ))
(( segid "FecA" and resid 64 and name HB1 ))
4.100 2.100 1.900 peak 635 spectrum 1 weight 0.11000E+01 volume 0.39704E-03 ppm1 7.004 ppm2 1.332 CV 1
ASSI { 636}
(( segid "FecA" and resid 2 and name HE21))
(( segid "FecA" and resid 2 and name HE22))
1.800 0.400 0.400 peak 636 spectrum 1 weight 0.11000E+01 volume 0.19017E-01 ppm1 7.588 ppm2 6.788 CV 1
ASSI { 639}
(( segid "FecA" and resid 51 and name HE22))
(( segid "FecA" and resid 51 and name HE21))
1.800 0.400 0.400 peak 639 spectrum 1 weight 0.11000E+01 volume 0.18093E-01 ppm1 6.835 ppm2 7.434 CV 1
ASSI { 640}
(( segid "FecA" and resid 51 and name HE21))
(( segid "FecA" and resid 51 and name HG1 ))
3.800 1.800 1.800 peak 640 spectrum 1 weight 0.11000E+01 volume 0.55162E-03 ppm1 7.431 ppm2 2.432 CV 1
ASSI { 641}
(( segid "FecA" and resid 51 and name HE21))
(( segid "FecA" and resid 51 and name HB2 ))
3.900 3.900 2.100 peak 641 spectrum 1 weight 0.11000E+01 volume 0.41468E-03 ppm1 7.429 ppm2 2.158 CV 1
ASSI { 642}
(( segid "FecA" and resid 16 and name HE21))
(( segid "FecA" and resid 16 and name HE22))
1.700 0.300 0.500 peak 642 spectrum 1 weight 0.11000E+01 volume 0.22131E-01 ppm1 7.402 ppm2 6.927 CV 1
ASSI { 644}
(( segid "FecA" and resid 16 and name HE21))
(( segid "FecA" and resid 17 and name HB1 ))
6.000 6.000 0.000 peak 644 spectrum 1 weight 0.11000E+01 volume 0.49362E-04 ppm1 7.403 ppm2 2.990 CV 1
ASSI { 645}
(( segid "FecA" and resid 16 and name HE21))
(( segid "FecA" and resid 16 and name HG2 ))
4.500 2.500 1.500 peak 645 spectrum 1 weight 0.11000E+01 volume 0.27130E-03 ppm1 7.403 ppm2 2.676 CV 1
ASSI { 646}
(( segid "FecA" and resid 16 and name HE21))
(( segid "FecA" and resid 16 and name HG1 ))
3.400 1.500 1.500 peak 646 spectrum 1 weight 0.11000E+01 volume 0.73450E-03 ppm1 7.404 ppm2 2.356 CV 1
ASSI { 647}
(( segid "FecA" and resid 24 and name HN ))
( segid "FecA" and resid 23 and name HD% )
3.700 1.700 1.700 peak 647 spectrum 1 weight 0.11000E+01 volume 0.21094E-02 ppm1 8.548 ppm2 6.873 CV 1
ASSI { 648}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 68 and name HA ))
3.200 1.300 1.300 peak 648 spectrum 1 weight 0.11000E+01 volume 0.20831E-02 ppm1 8.544 ppm2 5.681 CV 1
ASSI { 649}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 23 and name HA ))
2.500 0.800 0.800 peak 649 spectrum 1 weight 0.11000E+01 volume 0.50908E-02 ppm1 8.546 ppm2 5.310 CV 1
ASSI { 650}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 24 and name HA ))
3.200 1.300 1.300 peak 650 spectrum 1 weight 0.11000E+01 volume 0.13811E-02 ppm1 8.545 ppm2 4.564 CV 1
ASSI { 651}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 24 and name HB ))
2.800 1.000 1.000 peak 651 spectrum 1 weight 0.11000E+01 volume 0.28788E-02 ppm1 8.545 ppm2 4.246 CV 1
ASSI { 652}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 68 and name HB1 ))
3.900 1.900 1.900 peak 652 spectrum 1 weight 0.11000E+01 volume 0.69035E-03 ppm1 8.542 ppm2 3.615 CV 1
ASSI { 653}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 23 and name HB2 ))
2.500 0.800 0.800 peak 653 spectrum 1 weight 0.11000E+01 volume 0.39730E-02 ppm1 8.545 ppm2 3.414 CV 1
ASSI { 654}
(( segid "FecA" and resid 24 and name HN ))
(( segid "FecA" and resid 23 and name HB1 ))
3.700 1.700 1.700 peak 654 spectrum 1 weight 0.11000E+01 volume 0.22053E-02 ppm1 8.545 ppm2 3.009 CV 1
ASSI { 655}
(( segid "FecA" and resid 24 and name HN ))
( segid "FecA" and resid 24 and name HG2%)
4.700 2.700 1.300 peak 655 spectrum 1 weight 0.11000E+01 volume 0.83776E-03 ppm1 8.544 ppm2 1.243 CV 1
ASSI { 656}
(( segid "FecA" and resid 58 and name HN ))
(( segid "FecA" and resid 57 and name HN ))
3.200 1.300 1.300 peak 656 spectrum 1 weight 0.11000E+01 volume 0.17695E-02 ppm1 8.844 ppm2 8.585 CV 1
ASSI { 658}
(( segid "FecA" and resid 58 and name HN ))
(( segid "FecA" and resid 57 and name HG ))
4.100 2.100 1.900 peak 658 spectrum 1 weight 0.11000E+01 volume 0.64902E-03 ppm1 8.844 ppm2 6.253 CV 1
ASSI { 659}
(( segid "FecA" and resid 58 and name HN ))
(( segid "FecA" and resid 58 and name HA2 ))
2.800 1.000 1.000 peak 659 spectrum 1 weight 0.11000E+01 volume 0.37398E-02 ppm1 8.845 ppm2 4.256 CV 1
ASSI { 660}
(( segid "FecA" and resid 58 and name HN ))
(( segid "FecA" and resid 58 and name HA1 ))
2.700 0.900 0.900 peak 660 spectrum 1 weight 0.11000E+01 volume 0.45552E-02 ppm1 8.844 ppm2 3.814 CV 1
ASSI { 661}
(( segid "FecA" and resid 58 and name HN ))
(( segid "FecA" and resid 59 and name HB1 ))
6.000 6.000 0.000 peak 661 spectrum 1 weight 0.11000E+01 volume 0.65959E-04 ppm1 8.843 ppm2 1.167 CV 1
ASSI { 662}
(( segid "FecA" and resid 58 and name HN ))
( segid "FecA" and resid 59 and name HD2%)
5.500 3.700 0.500 peak 662 spectrum 1 weight 0.11000E+01 volume 0.18909E-03 ppm1 8.844 ppm2 0.792 CV 1
ASSI { 663}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 21 and name HN ))
2.400 0.700 0.700 peak 663 spectrum 1 weight 0.11000E+01 volume 0.34757E-02 ppm1 7.862 ppm2 8.134 CV 1
ASSI { 665}
(( segid "FecA" and resid 22 and name HN ))
( segid "FecA" and resid 23 and name HD% )
4.200 2.200 1.800 peak 665 spectrum 1 weight 0.11000E+01 volume 0.31476E-03 ppm1 7.858 ppm2 6.916 CV 1
ASSI { 666}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 21 and name HA ))
3.600 1.600 1.600 peak 666 spectrum 1 weight 0.11000E+01 volume 0.12171E-02 ppm1 7.863 ppm2 4.390 CV 1
ASSI { 667}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 22 and name HA2 ))
2.300 0.700 0.700 peak 667 spectrum 1 weight 0.11000E+01 volume 0.55387E-02 ppm1 7.863 ppm2 4.038 CV 1
ASSI { 668}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 22 and name HA1 ))
2.600 0.900 0.900 peak 668 spectrum 1 weight 0.11000E+01 volume 0.81763E-02 ppm1 7.863 ppm2 3.877 CV 1
ASSI { 669}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 21 and name HB1 ))
3.600 1.600 1.600 peak 669 spectrum 1 weight 0.11000E+01 volume 0.95154E-03 ppm1 7.862 ppm2 3.666 CV 1
ASSI { 670}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 20 and name HB2 ))
5.500 3.800 0.500 peak 670 spectrum 1 weight 0.11000E+01 volume 0.44220E-03 ppm1 7.864 ppm2 3.314 CV 1
OR { 670}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 20 and name HB1 ))
ASSI { 671}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 20 and name HA ))
3.500 3.500 2.500 peak 671 spectrum 1 weight 0.11000E+01 volume 0.34440E-03 ppm1 7.863 ppm2 4.256 CV 1
ASSI { 672}
(( segid "FecA" and resid 22 and name HN ))
(( segid "FecA" and resid 18 and name HA ))
3.900 1.900 1.900 peak 672 spectrum 1 weight 0.11000E+01 volume 0.41071E-03 ppm1 7.868 ppm2 2.134 CV 1
ASSI { 673}
(( segid "FecA" and resid 22 and name HN ))
( segid "FecA" and resid 19 and name HB% )
5.000 5.000 1.000 peak 673 spectrum 1 weight 0.11000E+01 volume 0.38655E-04 ppm1 7.867 ppm2 1.469 CV 1
ASSI { 674}
(( segid "FecA" and resid 22 and name HN ))
( segid "FecA" and resid 18 and name HB% )
6.000 4.900 0.000 peak 674 spectrum 1 weight 0.11000E+01 volume 0.65506E-04 ppm1 7.864 ppm2 1.012 CV 1
ASSI { 675}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 64 and name HN ))
2.600 0.800 0.800 peak 675 spectrum 1 weight 0.11000E+01 volume 0.39947E-02 ppm1 7.615 ppm2 7.962 CV 1
ASSI { 677}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 69 and name HA ))
5.200 3.400 0.800 peak 677 spectrum 1 weight 0.11000E+01 volume 0.36877E-03 ppm1 7.619 ppm2 5.053 CV 1
ASSI { 678}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 64 and name HA ))
3.500 1.500 1.500 peak 678 spectrum 1 weight 0.11000E+01 volume 0.11154E-02 ppm1 7.614 ppm2 4.439 CV 1
ASSI { 679}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 65 and name HA2 ))
2.800 1.000 1.000 peak 679 spectrum 1 weight 0.11000E+01 volume 0.34398E-02 ppm1 7.616 ppm2 4.126 CV 1
ASSI { 680}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 63 and name HA ))
4.100 2.100 1.900 peak 680 spectrum 1 weight 0.11000E+01 volume 0.89277E-03 ppm1 7.613 ppm2 3.975 CV 1
ASSI { 681}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 65 and name HA1 ))
2.900 1.000 1.000 peak 681 spectrum 1 weight 0.11000E+01 volume 0.46045E-02 ppm1 7.615 ppm2 3.646 CV 1
ASSI { 682}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 63 and name HB2 ))
3.200 1.300 1.300 peak 682 spectrum 1 weight 0.11000E+01 volume 0.17314E-02 ppm1 7.617 ppm2 1.548 CV 1
OR { 682}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 63 and name HB1 ))
ASSI { 683}
(( segid "FecA" and resid 65 and name HN ))
(( segid "FecA" and resid 64 and name HB1 ))
2.900 1.100 1.100 peak 683 spectrum 1 weight 0.11000E+01 volume 0.18226E-02 ppm1 7.616 ppm2 1.356 CV 1
ASSI { 684}
(( segid "FecA" and resid 65 and name HN ))
( segid "FecA" and resid 64 and name HD1%)
4.400 2.400 1.600 peak 684 spectrum 1 weight 0.11000E+01 volume 0.51254E-03 ppm1 7.616 ppm2 0.788 CV 1
ASSI { 686}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 37 and name HA ))
4.400 2.400 1.600 peak 686 spectrum 1 weight 0.11000E+01 volume 0.58585E-03 ppm1 8.030 ppm2 4.929 CV 1
ASSI { 687}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 36 and name HA ))
4.500 2.500 1.500 peak 687 spectrum 1 weight 0.11000E+01 volume 0.57762E-03 ppm1 8.031 ppm2 4.767 CV 1
ASSI { 688}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 7 and name HA ))
2.400 0.700 0.700 peak 688 spectrum 1 weight 0.11000E+01 volume 0.75939E-02 ppm1 8.030 ppm2 4.190 CV 1
ASSI { 689}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 8 and name HA1 ))
2.900 1.100 1.100 peak 689 spectrum 1 weight 0.11000E+01 volume 0.35106E-02 ppm1 8.030 ppm2 3.939 CV 1
ASSI { 690}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 37 and name HB2 ))
4.700 2.700 1.300 peak 690 spectrum 1 weight 0.11000E+01 volume 0.60957E-03 ppm1 8.030 ppm2 3.767 CV 1
ASSI { 691}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 37 and name HB1 ))
3.500 1.600 1.600 peak 691 spectrum 1 weight 0.11000E+01 volume 0.96152E-03 ppm1 8.029 ppm2 3.256 CV 1
ASSI { 692}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 8 and name HA2 ))
2.700 0.900 0.900 peak 692 spectrum 1 weight 0.11000E+01 volume 0.48467E-02 ppm1 8.029 ppm2 4.305 CV 1
ASSI { 693}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 39 and name HA1 ))
6.000 5.600 0.000 peak 693 spectrum 1 weight 0.11000E+01 volume 0.51201E-04 ppm1 8.028 ppm2 2.865 CV 1
ASSI { 694}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 7 and name HB2 ))
3.700 1.700 1.700 peak 694 spectrum 1 weight 0.11000E+01 volume 0.15308E-02 ppm1 8.029 ppm2 2.330 CV 1
ASSI { 695}
(( segid "FecA" and resid 8 and name HN ))
(( segid "FecA" and resid 7 and name HB1 ))
3.700 1.700 1.700 peak 695 spectrum 1 weight 0.11000E+01 volume 0.19761E-02 ppm1 8.031 ppm2 1.918 CV 1
ASSI { 696}
(( segid "FecA" and resid 8 and name HN ))
( segid "FecA" and resid 13 and name HB% )
4.400 4.400 1.600 peak 696 spectrum 1 weight 0.11000E+01 volume 0.42957E-03 ppm1 8.028 ppm2 1.356 CV 1
ASSI { 697}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 38 and name HN ))
2.700 0.900 0.900 peak 697 spectrum 1 weight 0.11000E+01 volume 0.25918E-02 ppm1 8.375 ppm2 9.034 CV 1
ASSI { 698}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 37 and name HG ))
3.000 1.200 1.200 peak 698 spectrum 1 weight 0.11000E+01 volume 0.20160E-02 ppm1 8.374 ppm2 5.683 CV 1
ASSI { 699}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 38 and name HA ))
3.300 1.300 1.300 peak 699 spectrum 1 weight 0.11000E+01 volume 0.17013E-02 ppm1 8.374 ppm2 4.926 CV 1
ASSI { 700}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 7 and name HA ))
3.300 1.300 1.300 peak 700 spectrum 1 weight 0.11000E+01 volume 0.16158E-02 ppm1 8.373 ppm2 4.179 CV 1
ASSI { 701}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 39 and name HA2 ))
2.600 0.800 0.800 peak 701 spectrum 1 weight 0.11000E+01 volume 0.41367E-02 ppm1 8.374 ppm2 4.017 CV 1
ASSI { 702}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 37 and name HB2 ))
3.900 1.900 1.900 peak 702 spectrum 1 weight 0.11000E+01 volume 0.17041E-02 ppm1 8.373 ppm2 3.771 CV 1
ASSI { 703}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 37 and name HB1 ))
3.400 1.500 1.500 peak 703 spectrum 1 weight 0.11000E+01 volume 0.90833E-03 ppm1 8.375 ppm2 3.254 CV 1
ASSI { 704}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 39 and name HA1 ))
2.800 1.000 1.000 peak 704 spectrum 1 weight 0.11000E+01 volume 0.60663E-02 ppm1 8.374 ppm2 2.852 CV 1
ASSI { 705}
(( segid "FecA" and resid 39 and name HN ))
( segid "FecA" and resid 13 and name HB% )
5.000 5.000 1.000 peak 705 spectrum 1 weight 0.11000E+01 volume 0.29047E-03 ppm1 8.373 ppm2 1.356 CV 1
ASSI { 706}
(( segid "FecA" and resid 39 and name HN ))
(( segid "FecA" and resid 40 and name HB1 ))
4.600 4.600 1.400 peak 706 spectrum 1 weight 0.11000E+01 volume 0.48837E-03 ppm1 8.373 ppm2 0.941 CV 1
ASSI { 707}
(( segid "FecA" and resid 39 and name HN ))
( segid "FecA" and resid 53 and name HD2%)
3.600 3.600 2.400 peak 707 spectrum 1 weight 0.11000E+01 volume 0.11073E-02 ppm1 8.372 ppm2 0.503 CV 1
ASSI { 708}
(( segid "FecA" and resid 59 and name HN ))
(( segid "FecA" and resid 57 and name HG ))
3.100 1.200 1.200 peak 708 spectrum 1 weight 0.11000E+01 volume 0.19799E-02 ppm1 8.072 ppm2 6.258 CV 1
ASSI { 709}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 34 and name HN ))
5.500 3.800 0.500 peak 709 spectrum 1 weight 0.11000E+01 volume 0.25033E-03 ppm1 7.355 ppm2 9.137 CV 1
ASSI { 710}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 30 and name HN ))
4.300 2.300 1.700 peak 710 spectrum 1 weight 0.11000E+01 volume 0.89524E-04 ppm1 7.354 ppm2 8.663 CV 1
ASSI { 711}
(( segid "FecA" and resid 33 and name HN ))
(( segid "FecA" and resid 31 and name HN ))
4.400 2.400 1.600 peak 711 spectrum 1 weight 0.11000E+01 volume 0.47207E-03 ppm1 7.354 ppm2 8.076 CV 1
ASSI { 1}
(( segid "FecA" and resid 3 and name HA ))
( segid "FecA" and resid 3 and name HG2%)
2.800 1.000 1.000 peak 1 spectrum 2 weight 0.11000E+01 volume 0.37015E-02 ppm1 4.143 ppm2 0.847 CV 1
ASSI { 2}
(( segid "FecA" and resid 25 and name HB2 ))
( segid "FecA" and resid 27 and name HG1%)
4.000 4.000 2.000 peak 2 spectrum 2 weight 0.11000E+01 volume 0.10975E-02 ppm1 1.677 ppm2 0.838 CV 1
ASSI { 4}
(( segid "FecA" and resid 29 and name HA ))
( segid "FecA" and resid 27 and name HG1%)
3.000 3.000 3.000 peak 4 spectrum 2 weight 0.11000E+01 volume 0.87951E-03 ppm1 4.197 ppm2 0.833 CV 1
ASSI { 7}
(( segid "FecA" and resid 49 and name HA2 ))
(( segid "FecA" and resid 49 and name HA1 ))
1.700 0.300 0.500 peak 7 spectrum 2 weight 0.11000E+01 volume 0.16879E-01 ppm1 3.699 ppm2 3.048 CV 1
ASSI { 8}
(( segid "FecA" and resid 22 and name HA2 ))
(( segid "FecA" and resid 22 and name HA1 ))
1.800 0.400 0.400 peak 8 spectrum 2 weight 0.11000E+01 volume 0.16667E-01 ppm1 4.037 ppm2 3.888 CV 1
ASSI { 10}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 46 and name HG1%)
2.800 2.800 3.200 peak 10 spectrum 2 weight 0.11000E+01 volume 0.33070E-02 ppm1 -0.224 ppm2 -0.369 CV 1
ASSI { 11}
( segid "FecA" and resid 46 and name HG2%)
( segid "FecA" and resid 46 and name HG1%)
2.400 0.700 0.700 peak 11 spectrum 2 weight 0.11000E+01 volume 0.80870E-02 ppm1 0.863 ppm2 -0.374 CV 1
ASSI { 12}
(( segid "FecA" and resid 46 and name HB ))
( segid "FecA" and resid 46 and name HG1%)
2.400 0.700 0.700 peak 12 spectrum 2 weight 0.11000E+01 volume 0.55863E-02 ppm1 1.637 ppm2 -0.372 CV 1
ASSI { 13}
(( segid "FecA" and resid 46 and name HA ))
( segid "FecA" and resid 46 and name HG1%)
2.700 0.900 0.900 peak 13 spectrum 2 weight 0.11000E+01 volume 0.31842E-02 ppm1 3.755 ppm2 -0.372 CV 1
ASSI { 14}
(( segid "FecA" and resid 40 and name HB2 ))
(( segid "FecA" and resid 40 and name HB1 ))
1.700 0.400 0.500 peak 14 spectrum 2 weight 0.11000E+01 volume 0.13003E-01 ppm1 1.107 ppm2 0.902 CV 1
ASSI { 15}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 40 and name HB1 ))
3.300 1.400 1.400 peak 15 spectrum 2 weight 0.11000E+01 volume 0.84317E-03 ppm1 0.540 ppm2 0.902 CV 1
ASSI { 17}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 40 and name HB1 ))
2.900 1.000 1.000 peak 17 spectrum 2 weight 0.11000E+01 volume 0.16090E-02 ppm1 -0.046 ppm2 0.885 CV 1
ASSI { 18}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 40 and name HB2 ))
3.000 1.100 1.100 peak 18 spectrum 2 weight 0.11000E+01 volume 0.21212E-02 ppm1 -0.046 ppm2 1.111 CV 1
ASSI { 20}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 40 and name HB2 ))
4.200 2.200 1.800 peak 20 spectrum 2 weight 0.11000E+01 volume 0.17605E-03 ppm1 0.538 ppm2 1.114 CV 1
ASSI { 24}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 49 and name HA1 ))
4.200 4.200 1.800 peak 24 spectrum 2 weight 0.11000E+01 volume 0.11464E-02 ppm1 0.015 ppm2 3.050 CV 1
ASSI { 26}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 49 and name HA2 ))
2.900 1.100 1.100 peak 26 spectrum 2 weight 0.11000E+01 volume 0.13378E-02 ppm1 -0.047 ppm2 3.706 CV 1
ASSI { 27}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 49 and name HA2 ))
5.600 3.900 0.400 peak 27 spectrum 2 weight 0.11000E+01 volume 0.80741E-04 ppm1 0.016 ppm2 3.705 CV 1
ASSI { 28}
(( segid "FecA" and resid 1 and name HA ))
( segid "FecA" and resid 1 and name HB% )
2.500 0.800 0.800 peak 28 spectrum 2 weight 0.11000E+01 volume 0.62272E-02 ppm1 4.538 ppm2 1.448 CV 1
ASSI { 29}
(( segid "FecA" and resid 70 and name HB ))
( segid "FecA" and resid 70 and name HG2%)
2.400 0.700 0.700 peak 29 spectrum 2 weight 0.11000E+01 volume 0.69088E-02 ppm1 4.155 ppm2 1.206 CV 1
ASSI { 30}
(( segid "FecA" and resid 62 and name HB2 ))
( segid "FecA" and resid 70 and name HG2%)
2.800 2.800 3.200 peak 30 spectrum 2 weight 0.11000E+01 volume 0.31746E-02 ppm1 1.710 ppm2 1.209 CV 1
ASSI { 31}
(( segid "FecA" and resid 62 and name HB1 ))
( segid "FecA" and resid 70 and name HG2%)
3.000 3.000 3.000 peak 31 spectrum 2 weight 0.11000E+01 volume 0.24671E-02 ppm1 1.551 ppm2 1.203 CV 1
ASSI { 33}
(( segid "FecA" and resid 25 and name HB1 ))
(( segid "FecA" and resid 25 and name HB2 ))
1.700 0.300 0.500 peak 33 spectrum 2 weight 0.11000E+01 volume 0.17184E-01 ppm1 1.531 ppm2 1.745 CV 1
ASSI { 35}
( segid "FecA" and resid 25 and name HD2%)
(( segid "FecA" and resid 25 and name HB1 ))
2.900 1.100 1.100 peak 35 spectrum 2 weight 0.11000E+01 volume 0.42724E-02 ppm1 0.915 ppm2 1.522 CV 1
ASSI { 36}
( segid "FecA" and resid 25 and name HD2%)
(( segid "FecA" and resid 25 and name HB2 ))
2.800 1.000 1.000 peak 36 spectrum 2 weight 0.11000E+01 volume 0.42526E-02 ppm1 0.915 ppm2 1.751 CV 1
ASSI { 39}
(( segid "FecA" and resid 71 and name HB2 ))
(( segid "FecA" and resid 71 and name HB1 ))
1.600 0.300 0.600 peak 39 spectrum 2 weight 0.11000E+01 volume 0.22887E-01 ppm1 1.698 ppm2 1.423 CV 1
ASSI { 41}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 71 and name HB2 ))
3.400 3.400 2.600 peak 41 spectrum 2 weight 0.11000E+01 volume 0.17897E-02 ppm1 0.981 ppm2 1.716 CV 1
ASSI { 42}
( segid "FecA" and resid 71 and name HD2%)
(( segid "FecA" and resid 71 and name HB2 ))
2.800 1.000 1.000 peak 42 spectrum 2 weight 0.11000E+01 volume 0.43291E-02 ppm1 0.841 ppm2 1.713 CV 1
ASSI { 43}
( segid "FecA" and resid 71 and name HD2%)
(( segid "FecA" and resid 71 and name HB1 ))
2.800 1.000 1.000 peak 43 spectrum 2 weight 0.11000E+01 volume 0.35605E-02 ppm1 0.846 ppm2 1.422 CV 1
ASSI { 46}
(( segid "FecA" and resid 59 and name HB2 ))
(( segid "FecA" and resid 59 and name HB1 ))
1.800 0.400 0.400 peak 46 spectrum 2 weight 0.11000E+01 volume 0.98765E-02 ppm1 1.966 ppm2 1.188 CV 1
ASSI { 48}
(( segid "FecA" and resid 59 and name HG ))
(( segid "FecA" and resid 59 and name HB2 ))
2.800 1.000 1.000 peak 48 spectrum 2 weight 0.11000E+01 volume 0.18885E-02 ppm1 1.527 ppm2 1.968 CV 1
ASSI { 49}
( segid "FecA" and resid 71 and name HD1%)
(( segid "FecA" and resid 59 and name HB2 ))
2.400 2.400 3.600 peak 49 spectrum 2 weight 0.11000E+01 volume 0.33871E-02 ppm1 0.837 ppm2 1.965 CV 1
ASSI { 53}
( segid "FecA" and resid 59 and name HD2%)
(( segid "FecA" and resid 59 and name HB1 ))
2.700 0.900 0.900 peak 53 spectrum 2 weight 0.11000E+01 volume 0.25198E-02 ppm1 0.794 ppm2 1.196 CV 1
ASSI { 54}
( segid "FecA" and resid 71 and name HD2%)
(( segid "FecA" and resid 59 and name HB1 ))
2.800 2.800 3.200 peak 54 spectrum 2 weight 0.11000E+01 volume 0.26280E-02 ppm1 0.842 ppm2 1.183 CV 1
ASSI { 55}
(( segid "FecA" and resid 59 and name HA ))
(( segid "FecA" and resid 59 and name HB2 ))
4.400 2.400 1.600 peak 55 spectrum 2 weight 0.11000E+01 volume 0.30883E-03 ppm1 5.012 ppm2 1.965 CV 1
ASSI { 57}
(( segid "FecA" and resid 56 and name HA2 ))
(( segid "FecA" and resid 56 and name HA1 ))
1.800 0.400 0.400 peak 57 spectrum 2 weight 0.11000E+01 volume 0.19821E-01 ppm1 4.384 ppm2 3.839 CV 1
ASSI { 58}
(( segid "FecA" and resid 58 and name HA2 ))
(( segid "FecA" and resid 58 and name HA1 ))
1.700 0.400 0.500 peak 58 spectrum 2 weight 0.11000E+01 volume 0.25296E-01 ppm1 4.254 ppm2 3.823 CV 1
ASSI { 59}
(( segid "FecA" and resid 34 and name HA2 ))
(( segid "FecA" and resid 34 and name HA1 ))
1.800 0.400 0.400 peak 59 spectrum 2 weight 0.11000E+01 volume 0.18313E-01 ppm1 4.167 ppm2 3.812 CV 1
ASSI { 60}
(( segid "FecA" and resid 8 and name HA2 ))
(( segid "FecA" and resid 8 and name HA1 ))
1.800 0.400 0.400 peak 60 spectrum 2 weight 0.11000E+01 volume 0.17816E-01 ppm1 4.312 ppm2 3.941 CV 1
ASSI { 63}
(( segid "FecA" and resid 42 and name HA1 ))
(( segid "FecA" and resid 42 and name HA2 ))
1.800 0.400 0.400 peak 63 spectrum 2 weight 0.11000E+01 volume 0.16628E-01 ppm1 3.775 ppm2 4.361 CV 1
ASSI { 64}
( segid "FecA" and resid 5 and name HG2%)
( segid "FecA" and resid 13 and name HB% )
2.300 2.300 3.700 peak 64 spectrum 2 weight 0.11000E+01 volume 0.61538E-02 ppm1 0.969 ppm2 1.369 CV 1
ASSI { 66}
( segid "FecA" and resid 53 and name HD2%)
( segid "FecA" and resid 13 and name HB% )
2.500 2.500 3.500 peak 66 spectrum 2 weight 0.11000E+01 volume 0.44723E-02 ppm1 0.538 ppm2 1.367 CV 1
ASSI { 67}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 13 and name HB% )
3.000 3.000 3.000 peak 67 spectrum 2 weight 0.11000E+01 volume 0.15387E-02 ppm1 0.455 ppm2 1.372 CV 1
ASSI { 68}
(( segid "FecA" and resid 37 and name HB1 ))
( segid "FecA" and resid 13 and name HB% )
3.000 3.000 3.000 peak 68 spectrum 2 weight 0.11000E+01 volume 0.18054E-02 ppm1 3.254 ppm2 1.370 CV 1
ASSI { 69}
(( segid "FecA" and resid 10 and name HA ))
( segid "FecA" and resid 13 and name HB% )
2.500 0.800 0.800 peak 69 spectrum 2 weight 0.11000E+01 volume 0.34294E-02 ppm1 3.983 ppm2 1.369 CV 1
ASSI { 70}
(( segid "FecA" and resid 13 and name HA ))
( segid "FecA" and resid 13 and name HB% )
2.200 0.600 0.600 peak 70 spectrum 2 weight 0.11000E+01 volume 0.10491E-01 ppm1 4.084 ppm2 1.366 CV 1
ASSI { 71}
(( segid "FecA" and resid 76 and name HA ))
( segid "FecA" and resid 76 and name HB% )
2.600 0.800 0.800 peak 71 spectrum 2 weight 0.11000E+01 volume 0.47916E-02 ppm1 4.587 ppm2 1.377 CV 1
ASSI { 72}
(( segid "FecA" and resid 29 and name HA ))
( segid "FecA" and resid 29 and name HB% )
2.400 0.700 0.700 peak 72 spectrum 2 weight 0.11000E+01 volume 0.90587E-02 ppm1 4.197 ppm2 1.499 CV 1
ASSI { 74}
(( segid "FecA" and resid 19 and name HA ))
( segid "FecA" and resid 19 and name HB% )
2.300 0.600 0.600 peak 74 spectrum 2 weight 0.11000E+01 volume 0.12052E-01 ppm1 4.062 ppm2 1.473 CV 1
ASSI { 75}
(( segid "FecA" and resid 6 and name HA ))
( segid "FecA" and resid 6 and name HB% )
2.400 0.700 0.700 peak 75 spectrum 2 weight 0.11000E+01 volume 0.69704E-02 ppm1 4.515 ppm2 1.417 CV 1
ASSI { 76}
(( segid "FecA" and resid 7 and name HD2 ))
( segid "FecA" and resid 6 and name HB% )
2.600 0.900 0.900 peak 76 spectrum 2 weight 0.11000E+01 volume 0.26751E-02 ppm1 3.804 ppm2 1.417 CV 1
ASSI { 77}
(( segid "FecA" and resid 7 and name HD1 ))
( segid "FecA" and resid 6 and name HB% )
3.200 1.300 1.300 peak 77 spectrum 2 weight 0.11000E+01 volume 0.56979E-02 ppm1 3.631 ppm2 1.414 CV 1
ASSI { 78}
(( segid "FecA" and resid 74 and name HA ))
( segid "FecA" and resid 74 and name HB% )
2.400 0.700 0.700 peak 78 spectrum 2 weight 0.11000E+01 volume 0.69234E-02 ppm1 4.389 ppm2 1.185 CV 1
ASSI { 79}
(( segid "FecA" and resid 73 and name HD1 ))
( segid "FecA" and resid 74 and name HB% )
2.800 2.800 3.200 peak 79 spectrum 2 weight 0.11000E+01 volume 0.13167E-02 ppm1 3.750 ppm2 1.186 CV 1
ASSI { 80}
(( segid "FecA" and resid 73 and name HD2 ))
( segid "FecA" and resid 74 and name HB% )
2.500 2.500 3.500 peak 80 spectrum 2 weight 0.11000E+01 volume 0.27005E-02 ppm1 3.584 ppm2 1.183 CV 1
ASSI { 82}
(( segid "FecA" and resid 18 and name HA ))
( segid "FecA" and resid 18 and name HB% )
2.300 0.700 0.700 peak 82 spectrum 2 weight 0.11000E+01 volume 0.88473E-02 ppm1 2.128 ppm2 1.024 CV 1
ASSI { 83}
(( segid "FecA" and resid 25 and name HG ))
( segid "FecA" and resid 18 and name HB% )
3.300 3.300 2.700 peak 83 spectrum 2 weight 0.11000E+01 volume 0.42538E-03 ppm1 1.531 ppm2 1.023 CV 1
ASSI { 84}
(( segid "FecA" and resid 73 and name HB2 ))
( segid "FecA" and resid 74 and name HB% )
3.500 3.500 2.500 peak 84 spectrum 2 weight 0.11000E+01 volume 0.12646E-02 ppm1 2.020 ppm2 1.190 CV 1
ASSI { 85}
(( segid "FecA" and resid 39 and name HA2 ))
(( segid "FecA" and resid 39 and name HA1 ))
1.800 0.400 0.400 peak 85 spectrum 2 weight 0.11000E+01 volume 0.15550E-01 ppm1 4.026 ppm2 2.865 CV 1
ASSI { 87}
( segid "FecA" and resid 5 and name HG2%)
(( segid "FecA" and resid 39 and name HA1 ))
5.300 3.500 0.700 peak 87 spectrum 2 weight 0.11000E+01 volume 0.34836E-03 ppm1 0.971 ppm2 2.866 CV 1
ASSI { 88}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 39 and name HA1 ))
2.800 2.800 3.200 peak 88 spectrum 2 weight 0.11000E+01 volume 0.11314E-02 ppm1 0.539 ppm2 2.864 CV 1
OR { 88}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 39 and name HA2 ))
ASSI { 89}
( segid "FecA" and resid 5 and name HG2%)
(( segid "FecA" and resid 39 and name HA2 ))
3.900 1.900 1.900 peak 89 spectrum 2 weight 0.11000E+01 volume 0.26420E-03 ppm1 0.971 ppm2 4.032 CV 1
ASSI { 92}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 70 and name HB ))
2.600 0.800 0.800 peak 92 spectrum 2 weight 0.11000E+01 volume 0.46917E-02 ppm1 0.798 ppm2 4.158 CV 1
ASSI { 93}
(( segid "FecA" and resid 68 and name HA ))
(( segid "FecA" and resid 24 and name HB ))
3.000 3.000 3.000 peak 93 spectrum 2 weight 0.11000E+01 volume 0.28898E-02 ppm1 5.709 ppm2 4.255 CV 1
ASSI { 95}
( segid "FecA" and resid 24 and name HG2%)
(( segid "FecA" and resid 24 and name HB ))
2.500 0.800 0.800 peak 95 spectrum 2 weight 0.11000E+01 volume 0.52912E-02 ppm1 1.248 ppm2 4.257 CV 1
ASSI { 96}
(( segid "FecA" and resid 65 and name HA2 ))
(( segid "FecA" and resid 65 and name HA1 ))
1.800 0.400 0.400 peak 96 spectrum 2 weight 0.11000E+01 volume 0.18394E-01 ppm1 4.129 ppm2 3.651 CV 1
ASSI { 98}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 5 and name HG2%)
4.200 4.200 1.800 peak 98 spectrum 2 weight 0.11000E+01 volume 0.65595E-03 ppm1 0.453 ppm2 0.973 CV 1
ASSI { 99}
( segid "FecA" and resid 53 and name HD2%)
( segid "FecA" and resid 5 and name HG2%)
3.100 3.100 2.900 peak 99 spectrum 2 weight 0.11000E+01 volume 0.15696E-02 ppm1 0.540 ppm2 0.972 CV 1
ASSI { 100}
( segid "FecA" and resid 5 and name HD1%)
( segid "FecA" and resid 5 and name HG2%)
2.500 2.500 3.500 peak 100 spectrum 2 weight 0.11000E+01 volume 0.51388E-02 ppm1 0.715 ppm2 0.971 CV 1
ASSI { 103}
(( segid "FecA" and resid 5 and name HB ))
( segid "FecA" and resid 5 and name HG2%)
2.300 0.600 0.600 peak 103 spectrum 2 weight 0.11000E+01 volume 0.58455E-02 ppm1 1.601 ppm2 0.974 CV 1
ASSI { 104}
(( segid "FecA" and resid 16 and name HB2 ))
( segid "FecA" and resid 5 and name HG2%)
2.900 2.900 3.100 peak 104 spectrum 2 weight 0.11000E+01 volume 0.89389E-03 ppm1 2.363 ppm2 0.963 CV 1
ASSI { 106}
(( segid "FecA" and resid 13 and name HA ))
( segid "FecA" and resid 5 and name HG2%)
2.600 2.600 3.400 peak 106 spectrum 2 weight 0.11000E+01 volume 0.38651E-02 ppm1 4.085 ppm2 0.971 CV 1
ASSI { 107}
(( segid "FecA" and resid 5 and name HA ))
( segid "FecA" and resid 5 and name HG2%)
2.500 0.800 0.800 peak 107 spectrum 2 weight 0.11000E+01 volume 0.46124E-02 ppm1 4.210 ppm2 0.972 CV 1
ASSI { 109}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 64 and name HB1 ))
2.800 1.000 1.000 peak 109 spectrum 2 weight 0.11000E+01 volume 0.55407E-02 ppm1 0.797 ppm2 1.363 CV 1
ASSI { 112}
(( segid "FecA" and resid 68 and name HB2 ))
(( segid "FecA" and resid 64 and name HB1 ))
2.900 1.000 1.000 peak 112 spectrum 2 weight 0.11000E+01 volume 0.22641E-02 ppm1 3.641 ppm2 1.368 CV 1
ASSI { 113}
(( segid "FecA" and resid 68 and name HB1 ))
(( segid "FecA" and resid 64 and name HB1 ))
3.400 1.400 1.400 peak 113 spectrum 2 weight 0.11000E+01 volume 0.14014E-02 ppm1 3.612 ppm2 1.357 CV 1
ASSI { 115}
(( segid "FecA" and resid 53 and name HG ))
(( segid "FecA" and resid 53 and name HB1 ))
2.800 1.000 1.000 peak 115 spectrum 2 weight 0.11000E+01 volume 0.35206E-02 ppm1 1.379 ppm2 1.128 CV 1
ASSI { 116}
( segid "FecA" and resid 14 and name HD2%)
(( segid "FecA" and resid 53 and name HB1 ))
3.600 1.600 1.600 peak 116 spectrum 2 weight 0.11000E+01 volume 0.97309E-03 ppm1 0.742 ppm2 1.122 CV 1
ASSI { 118}
( segid "FecA" and resid 53 and name HD1%)
(( segid "FecA" and resid 53 and name HB1 ))
2.900 1.000 1.000 peak 118 spectrum 2 weight 0.11000E+01 volume 0.22219E-02 ppm1 0.453 ppm2 1.121 CV 1
ASSI { 119}
(( segid "FecA" and resid 53 and name HG ))
(( segid "FecA" and resid 53 and name HB2 ))
2.400 0.700 0.700 peak 119 spectrum 2 weight 0.11000E+01 volume 0.34381E-02 ppm1 1.378 ppm2 1.819 CV 1
ASSI { 120}
(( segid "FecA" and resid 53 and name HB1 ))
(( segid "FecA" and resid 53 and name HB2 ))
1.700 0.300 0.500 peak 120 spectrum 2 weight 0.11000E+01 volume 0.12690E-01 ppm1 1.118 ppm2 1.813 CV 1
ASSI { 121}
( segid "FecA" and resid 54 and name HD2%)
(( segid "FecA" and resid 54 and name HB2 ))
4.400 4.400 1.600 peak 121 spectrum 2 weight 0.11000E+01 volume 0.27101E-03 ppm1 0.841 ppm2 1.825 CV 1
ASSI { 122}
( segid "FecA" and resid 14 and name HD2%)
(( segid "FecA" and resid 53 and name HB2 ))
4.400 2.400 1.600 peak 122 spectrum 2 weight 0.11000E+01 volume 0.24483E-03 ppm1 0.744 ppm2 1.816 CV 1
ASSI { 123}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 53 and name HB2 ))
3.500 3.500 2.500 peak 123 spectrum 2 weight 0.11000E+01 volume 0.18336E-02 ppm1 0.652 ppm2 1.832 CV 1
ASSI { 127}
(( segid "FecA" and resid 50 and name HA ))
(( segid "FecA" and resid 53 and name HB1 ))
6.000 4.600 0.000 peak 127 spectrum 2 weight 0.11000E+01 volume 0.14281E-03 ppm1 3.712 ppm2 1.110 CV 1
ASSI { 128}
(( segid "FecA" and resid 53 and name HA ))
(( segid "FecA" and resid 53 and name HB2 ))
3.000 1.100 1.100 peak 128 spectrum 2 weight 0.11000E+01 volume 0.23917E-02 ppm1 3.796 ppm2 1.817 CV 1
ASSI { 130}
(( segid "FecA" and resid 31 and name HB2 ))
(( segid "FecA" and resid 31 and name HB1 ))
1.800 0.400 0.400 peak 130 spectrum 2 weight 0.11000E+01 volume 0.11516E-01 ppm1 1.954 ppm2 1.529 CV 1
ASSI { 131}
(( segid "FecA" and resid 31 and name HG ))
(( segid "FecA" and resid 31 and name HB1 ))
2.800 1.000 1.000 peak 131 spectrum 2 weight 0.11000E+01 volume 0.42782E-02 ppm1 1.738 ppm2 1.530 CV 1
ASSI { 132}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 31 and name HB1 ))
2.900 1.100 1.100 peak 132 spectrum 2 weight 0.11000E+01 volume 0.25220E-02 ppm1 0.981 ppm2 1.529 CV 1
ASSI { 135}
(( segid "FecA" and resid 31 and name HG ))
(( segid "FecA" and resid 31 and name HB2 ))
2.100 0.600 0.600 peak 135 spectrum 2 weight 0.11000E+01 volume 0.96622E-02 ppm1 1.740 ppm2 1.954 CV 1
ASSI { 137}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 31 and name HB2 ))
2.700 0.900 0.900 peak 137 spectrum 2 weight 0.11000E+01 volume 0.32376E-02 ppm1 0.980 ppm2 1.958 CV 1
ASSI { 138}
( segid "FecA" and resid 31 and name HD2%)
(( segid "FecA" and resid 31 and name HB2 ))
3.400 1.500 1.500 peak 138 spectrum 2 weight 0.11000E+01 volume 0.34108E-02 ppm1 0.853 ppm2 1.958 CV 1
ASSI { 139}
(( segid "FecA" and resid 50 and name HB2 ))
(( segid "FecA" and resid 50 and name HB1 ))
1.700 0.400 0.500 peak 139 spectrum 2 weight 0.11000E+01 volume 0.10742E-01 ppm1 1.677 ppm2 0.958 CV 1
ASSI { 140}
(( segid "FecA" and resid 50 and name HG ))
(( segid "FecA" and resid 50 and name HB1 ))
3.900 1.900 1.900 peak 140 spectrum 2 weight 0.11000E+01 volume 0.44468E-03 ppm1 1.412 ppm2 0.960 CV 1
ASSI { 141}
(( segid "FecA" and resid 53 and name HG ))
(( segid "FecA" and resid 50 and name HB1 ))
4.900 3.000 1.100 peak 141 spectrum 2 weight 0.11000E+01 volume 0.27864E-03 ppm1 1.379 ppm2 0.968 CV 1
ASSI { 142}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 50 and name HB1 ))
2.600 2.600 3.400 peak 142 spectrum 2 weight 0.11000E+01 volume 0.32774E-02 ppm1 0.650 ppm2 0.961 CV 1
ASSI { 143}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 50 and name HB2 ))
3.000 1.100 1.100 peak 143 spectrum 2 weight 0.11000E+01 volume 0.41832E-02 ppm1 0.651 ppm2 1.647 CV 1
ASSI { 145}
(( segid "FecA" and resid 31 and name HA ))
(( segid "FecA" and resid 31 and name HB1 ))
2.500 0.800 0.800 peak 145 spectrum 2 weight 0.11000E+01 volume 0.38526E-02 ppm1 4.308 ppm2 1.538 CV 1
ASSI { 147}
(( segid "FecA" and resid 54 and name HB2 ))
(( segid "FecA" and resid 54 and name HB1 ))
1.800 0.400 0.400 peak 147 spectrum 2 weight 0.11000E+01 volume 0.11885E-01 ppm1 1.835 ppm2 1.616 CV 1
ASSI { 150}
(( segid "FecA" and resid 14 and name HB2 ))
(( segid "FecA" and resid 14 and name HB1 ))
1.700 0.400 0.500 peak 150 spectrum 2 weight 0.11000E+01 volume 0.12499E-01 ppm1 1.983 ppm2 1.324 CV 1
ASSI { 151}
(( segid "FecA" and resid 14 and name HG ))
(( segid "FecA" and resid 14 and name HB1 ))
3.300 1.400 1.400 peak 151 spectrum 2 weight 0.11000E+01 volume 0.13151E-02 ppm1 1.835 ppm2 1.327 CV 1
ASSI { 152}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 14 and name HB1 ))
3.600 3.600 2.400 peak 152 spectrum 2 weight 0.11000E+01 volume 0.26816E-02 ppm1 0.916 ppm2 1.326 CV 1
ASSI { 153}
( segid "FecA" and resid 14 and name HD1%)
(( segid "FecA" and resid 14 and name HB1 ))
2.600 0.900 0.900 peak 153 spectrum 2 weight 0.11000E+01 volume 0.53922E-02 ppm1 0.751 ppm2 1.327 CV 1
ASSI { 154}
(( segid "FecA" and resid 14 and name HG ))
(( segid "FecA" and resid 14 and name HB2 ))
2.200 0.600 0.600 peak 154 spectrum 2 weight 0.11000E+01 volume 0.75733E-02 ppm1 1.838 ppm2 1.980 CV 1
ASSI { 156}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 14 and name HB2 ))
3.900 3.900 2.100 peak 156 spectrum 2 weight 0.11000E+01 volume 0.12255E-02 ppm1 0.918 ppm2 1.985 CV 1
ASSI { 157}
( segid "FecA" and resid 14 and name HD1%)
(( segid "FecA" and resid 14 and name HB2 ))
2.500 0.800 0.800 peak 157 spectrum 2 weight 0.11000E+01 volume 0.50119E-02 ppm1 0.758 ppm2 1.985 CV 1
ASSI { 160}
(( segid "FecA" and resid 11 and name HA ))
(( segid "FecA" and resid 14 and name HB2 ))
3.300 1.300 1.300 peak 160 spectrum 2 weight 0.11000E+01 volume 0.95911E-03 ppm1 4.092 ppm2 1.986 CV 1
ASSI { 161}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 10 and name HB1 ))
2.700 0.900 0.900 peak 161 spectrum 2 weight 0.11000E+01 volume 0.28975E-02 ppm1 0.837 ppm2 1.100 CV 1
ASSI { 162}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 10 and name HB1 ))
2.600 0.900 0.900 peak 162 spectrum 2 weight 0.11000E+01 volume 0.10040E-01 ppm1 0.918 ppm2 1.086 CV 1
ASSI { 163}
(( segid "FecA" and resid 10 and name HG ))
(( segid "FecA" and resid 10 and name HB1 ))
2.900 1.000 1.000 peak 163 spectrum 2 weight 0.11000E+01 volume 0.15597E-02 ppm1 1.503 ppm2 1.108 CV 1
ASSI { 164}
(( segid "FecA" and resid 10 and name HB2 ))
(( segid "FecA" and resid 10 and name HB1 ))
1.700 0.400 0.500 peak 164 spectrum 2 weight 0.11000E+01 volume 0.11948E-01 ppm1 1.719 ppm2 1.102 CV 1
ASSI { 166}
(( segid "FecA" and resid 35 and name HB2 ))
(( segid "FecA" and resid 10 and name HB2 ))
3.900 1.900 1.900 peak 166 spectrum 2 weight 0.11000E+01 volume 0.11376E-02 ppm1 1.927 ppm2 1.721 CV 1
ASSI { 167}
(( segid "FecA" and resid 10 and name HG ))
(( segid "FecA" and resid 10 and name HB2 ))
2.900 1.000 1.000 peak 167 spectrum 2 weight 0.11000E+01 volume 0.26048E-02 ppm1 1.487 ppm2 1.720 CV 1
ASSI { 169}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 10 and name HB2 ))
2.700 0.900 0.900 peak 169 spectrum 2 weight 0.11000E+01 volume 0.38876E-02 ppm1 0.838 ppm2 1.722 CV 1
ASSI { 170}
( segid "FecA" and resid 50 and name HD1%)
(( segid "FecA" and resid 50 and name HB1 ))
3.100 1.200 1.200 peak 170 spectrum 2 weight 0.11000E+01 volume 0.20990E-02 ppm1 -0.225 ppm2 0.960 CV 1
ASSI { 171}
( segid "FecA" and resid 50 and name HD1%)
(( segid "FecA" and resid 50 and name HB2 ))
2.700 0.900 0.900 peak 171 spectrum 2 weight 0.11000E+01 volume 0.28160E-02 ppm1 -0.225 ppm2 1.677 CV 1
ASSI { 172}
(( segid "FecA" and resid 47 and name HA ))
(( segid "FecA" and resid 50 and name HB2 ))
2.800 1.000 1.000 peak 172 spectrum 2 weight 0.11000E+01 volume 0.20754E-02 ppm1 3.283 ppm2 1.668 CV 1
ASSI { 174}
(( segid "FecA" and resid 44 and name HB2 ))
(( segid "FecA" and resid 44 and name HB1 ))
1.700 0.400 0.500 peak 174 spectrum 2 weight 0.11000E+01 volume 0.11034E-01 ppm1 3.206 ppm2 2.388 CV 1
ASSI { 177}
(( segid "FecA" and resid 33 and name HB1 ))
(( segid "FecA" and resid 33 and name HD1 ))
3.200 1.300 1.300 peak 177 spectrum 2 weight 0.11000E+01 volume 0.17093E-02 ppm1 1.788 ppm2 3.231 CV 1
OR { 177}
(( segid "FecA" and resid 33 and name HB1 ))
(( segid "FecA" and resid 33 and name HD2 ))
ASSI { 179}
(( segid "FecA" and resid 33 and name HG1 ))
(( segid "FecA" and resid 33 and name HD2 ))
2.600 0.900 0.900 peak 179 spectrum 2 weight 0.11000E+01 volume 0.44636E-02 ppm1 1.601 ppm2 3.232 CV 1
OR { 179}
(( segid "FecA" and resid 33 and name HG1 ))
(( segid "FecA" and resid 33 and name HD1 ))
ASSI { 180}
( segid "FecA" and resid 17 and name HE% )
(( segid "FecA" and resid 44 and name HB1 ))
4.300 2.300 1.700 peak 180 spectrum 2 weight 0.11000E+01 volume 0.35668E-03 ppm1 6.674 ppm2 2.380 CV 1
ASSI { 181}
( segid "FecA" and resid 17 and name HD% )
(( segid "FecA" and resid 44 and name HB1 ))
4.000 2.000 2.000 peak 181 spectrum 2 weight 0.11000E+01 volume 0.81604E-03 ppm1 6.926 ppm2 2.393 CV 1
ASSI { 182}
( segid "FecA" and resid 17 and name HD% )
(( segid "FecA" and resid 44 and name HB2 ))
3.700 3.700 2.300 peak 182 spectrum 2 weight 0.11000E+01 volume 0.94320E-03 ppm1 6.927 ppm2 3.214 CV 1
ASSI { 183}
( segid "FecA" and resid 17 and name HE% )
(( segid "FecA" and resid 44 and name HB2 ))
3.900 1.900 1.900 peak 183 spectrum 2 weight 0.11000E+01 volume 0.42617E-03 ppm1 6.677 ppm2 3.206 CV 1
ASSI { 184}
(( segid "FecA" and resid 44 and name HA ))
(( segid "FecA" and resid 44 and name HB1 ))
3.000 1.100 1.100 peak 184 spectrum 2 weight 0.11000E+01 volume 0.11875E-02 ppm1 4.718 ppm2 2.386 CV 1
ASSI { 186}
(( segid "FecA" and resid 33 and name HA ))
(( segid "FecA" and resid 33 and name HD1 ))
4.400 2.400 1.600 peak 186 spectrum 2 weight 0.11000E+01 volume 0.47861E-03 ppm1 4.142 ppm2 3.235 CV 1
OR { 186}
(( segid "FecA" and resid 33 and name HA ))
(( segid "FecA" and resid 33 and name HD2 ))
ASSI { 187}
(( segid "FecA" and resid 45 and name HA ))
(( segid "FecA" and resid 44 and name HB2 ))
4.900 3.100 1.100 peak 187 spectrum 2 weight 0.11000E+01 volume 0.19822E-03 ppm1 4.883 ppm2 3.233 CV 1
ASSI { 189}
(( segid "FecA" and resid 35 and name HD1 ))
(( segid "FecA" and resid 35 and name HE1 ))
2.600 0.900 0.900 peak 189 spectrum 2 weight 0.11000E+01 volume 0.35353E-02 ppm1 1.664 ppm2 3.154 CV 1
OR { 189}
(( segid "FecA" and resid 35 and name HD1 ))
(( segid "FecA" and resid 35 and name HE2 ))
ASSI { 190}
(( segid "FecA" and resid 59 and name HG ))
(( segid "FecA" and resid 35 and name HE1 ))
3.300 3.300 2.700 peak 190 spectrum 2 weight 0.11000E+01 volume 0.45587E-03 ppm1 1.515 ppm2 3.166 CV 1
OR { 190}
(( segid "FecA" and resid 59 and name HG ))
(( segid "FecA" and resid 35 and name HE2 ))
ASSI { 191}
(( segid "FecA" and resid 35 and name HG2 ))
(( segid "FecA" and resid 35 and name HE2 ))
2.700 0.900 0.900 peak 191 spectrum 2 weight 0.11000E+01 volume 0.45014E-02 ppm1 1.395 ppm2 3.155 CV 1
OR { 191}
(( segid "FecA" and resid 35 and name HG1 ))
(( segid "FecA" and resid 35 and name HE2 ))
OR { 191}
(( segid "FecA" and resid 35 and name HG2 ))
(( segid "FecA" and resid 35 and name HE1 ))
OR { 191}
(( segid "FecA" and resid 35 and name HG1 ))
(( segid "FecA" and resid 35 and name HE1 ))
ASSI { 192}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 35 and name HE1 ))
4.500 2.500 1.500 peak 192 spectrum 2 weight 0.11000E+01 volume 0.28358E-03 ppm1 0.841 ppm2 3.167 CV 1
ASSI { 193}
( segid "FecA" and resid 59 and name HD2%)
(( segid "FecA" and resid 35 and name HE2 ))
3.800 3.800 2.200 peak 193 spectrum 2 weight 0.11000E+01 volume 0.20402E-03 ppm1 0.796 ppm2 3.164 CV 1
ASSI { 194}
( segid "FecA" and resid 59 and name HD1%)
(( segid "FecA" and resid 35 and name HE2 ))
2.800 2.800 3.200 peak 194 spectrum 2 weight 0.11000E+01 volume 0.12111E-02 ppm1 0.709 ppm2 3.157 CV 1
ASSI { 195}
(( segid "FecA" and resid 54 and name HB1 ))
(( segid "FecA" and resid 55 and name HB2 ))
3.300 3.300 2.700 peak 195 spectrum 2 weight 0.11000E+01 volume 0.31093E-02 ppm1 1.594 ppm2 2.849 CV 1
ASSI { 196}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 28 and name HB2 ))
3.300 1.400 1.400 peak 196 spectrum 2 weight 0.11000E+01 volume 0.13276E-02 ppm1 0.979 ppm2 2.823 CV 1
ASSI { 197}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 28 and name HB1 ))
4.600 2.600 1.400 peak 197 spectrum 2 weight 0.11000E+01 volume 0.24800E-03 ppm1 0.981 ppm2 2.687 CV 1
ASSI { 198}
(( segid "FecA" and resid 31 and name HG ))
(( segid "FecA" and resid 28 and name HB2 ))
3.600 1.600 1.600 peak 198 spectrum 2 weight 0.11000E+01 volume 0.82878E-03 ppm1 1.735 ppm2 2.831 CV 1
ASSI { 199}
(( segid "FecA" and resid 28 and name HA ))
(( segid "FecA" and resid 28 and name HB2 ))
2.900 1.100 1.100 peak 199 spectrum 2 weight 0.11000E+01 volume 0.25014E-02 ppm1 4.638 ppm2 2.831 CV 1
ASSI { 200}
(( segid "FecA" and resid 28 and name HA ))
(( segid "FecA" and resid 28 and name HB1 ))
2.600 0.900 0.900 peak 200 spectrum 2 weight 0.11000E+01 volume 0.49113E-02 ppm1 4.637 ppm2 2.696 CV 1
ASSI { 201}
(( segid "FecA" and resid 45 and name HB2 ))
(( segid "FecA" and resid 45 and name HB1 ))
1.900 0.400 0.400 peak 201 spectrum 2 weight 0.11000E+01 volume 0.99252E-02 ppm1 2.992 ppm2 2.771 CV 1
ASSI { 202}
(( segid "FecA" and resid 45 and name HA ))
(( segid "FecA" and resid 45 and name HB1 ))
2.600 0.900 0.900 peak 202 spectrum 2 weight 0.11000E+01 volume 0.40678E-02 ppm1 4.913 ppm2 2.769 CV 1
ASSI { 203}
(( segid "FecA" and resid 45 and name HA ))
(( segid "FecA" and resid 45 and name HB2 ))
2.800 1.000 1.000 peak 203 spectrum 2 weight 0.11000E+01 volume 0.46692E-02 ppm1 4.913 ppm2 2.997 CV 1
ASSI { 204}
(( segid "FecA" and resid 55 and name HA ))
(( segid "FecA" and resid 55 and name HB2 ))
2.400 0.700 0.700 peak 204 spectrum 2 weight 0.11000E+01 volume 0.52930E-02 ppm1 4.513 ppm2 2.883 CV 1
ASSI { 206}
(( segid "FecA" and resid 52 and name HA ))
(( segid "FecA" and resid 55 and name HB1 ))
5.000 3.200 1.000 peak 206 spectrum 2 weight 0.11000E+01 volume 0.23747E-03 ppm1 4.044 ppm2 2.776 CV 1
ASSI { 210}
(( segid "FecA" and resid 23 and name HB1 ))
(( segid "FecA" and resid 23 and name HB2 ))
1.800 0.400 0.400 peak 210 spectrum 2 weight 0.11000E+01 volume 0.10982E-01 ppm1 3.018 ppm2 3.447 CV 1
ASSI { 212}
(( segid "FecA" and resid 43 and name HA ))
(( segid "FecA" and resid 43 and name HB2 ))
2.800 1.000 1.000 peak 212 spectrum 2 weight 0.11000E+01 volume 0.36700E-02 ppm1 4.958 ppm2 2.444 CV 1
ASSI { 214}
(( segid "FecA" and resid 43 and name HB2 ))
(( segid "FecA" and resid 43 and name HB1 ))
1.800 0.400 0.400 peak 214 spectrum 2 weight 0.11000E+01 volume 0.17227E-01 ppm1 2.432 ppm2 2.324 CV 1
ASSI { 216}
(( segid "FecA" and resid 4 and name HB2 ))
(( segid "FecA" and resid 4 and name HB1 ))
1.800 0.400 0.400 peak 216 spectrum 2 weight 0.11000E+01 volume 0.17675E-01 ppm1 2.772 ppm2 2.558 CV 1
ASSI { 218}
(( segid "FecA" and resid 4 and name HA ))
(( segid "FecA" and resid 4 and name HB1 ))
2.800 1.000 1.000 peak 218 spectrum 2 weight 0.11000E+01 volume 0.36186E-02 ppm1 5.189 ppm2 2.552 CV 1
ASSI { 219}
(( segid "FecA" and resid 4 and name HA ))
(( segid "FecA" and resid 4 and name HB2 ))
2.800 1.000 1.000 peak 219 spectrum 2 weight 0.11000E+01 volume 0.29079E-02 ppm1 5.187 ppm2 2.776 CV 1
ASSI { 220}
(( segid "FecA" and resid 11 and name HB2 ))
(( segid "FecA" and resid 11 and name HB1 ))
1.700 0.400 0.500 peak 220 spectrum 2 weight 0.11000E+01 volume 0.22615E-01 ppm1 2.633 ppm2 2.543 CV 1
ASSI { 221}
(( segid "FecA" and resid 11 and name HA ))
(( segid "FecA" and resid 11 and name HB1 ))
2.900 1.100 1.100 peak 221 spectrum 2 weight 0.11000E+01 volume 0.33303E-02 ppm1 4.091 ppm2 2.537 CV 1
ASSI { 222}
(( segid "FecA" and resid 11 and name HA ))
(( segid "FecA" and resid 11 and name HB2 ))
2.600 0.800 0.800 peak 222 spectrum 2 weight 0.11000E+01 volume 0.51431E-02 ppm1 4.091 ppm2 2.642 CV 1
ASSI { 223}
(( segid "FecA" and resid 37 and name HB1 ))
(( segid "FecA" and resid 37 and name HB2 ))
1.700 0.400 0.500 peak 223 spectrum 2 weight 0.11000E+01 volume 0.15472E-01 ppm1 3.255 ppm2 3.764 CV 1
ASSI { 225}
(( segid "FecA" and resid 10 and name HA ))
(( segid "FecA" and resid 37 and name HB1 ))
3.200 1.200 1.200 peak 225 spectrum 2 weight 0.11000E+01 volume 0.12529E-02 ppm1 3.982 ppm2 3.259 CV 1
ASSI { 227}
( segid "FecA" and resid 13 and name HB% )
(( segid "FecA" and resid 37 and name HB2 ))
3.800 1.800 1.800 peak 227 spectrum 2 weight 0.11000E+01 volume 0.10299E-02 ppm1 1.368 ppm2 3.768 CV 1
ASSI { 228}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 37 and name HB2 ))
2.600 0.800 0.800 peak 228 spectrum 2 weight 0.11000E+01 volume 0.31113E-02 ppm1 0.917 ppm2 3.768 CV 1
ASSI { 229}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 37 and name HB1 ))
3.800 1.800 1.800 peak 229 spectrum 2 weight 0.11000E+01 volume 0.13593E-02 ppm1 0.919 ppm2 3.256 CV 1
ASSI { 231}
(( segid "FecA" and resid 37 and name HA ))
(( segid "FecA" and resid 37 and name HB2 ))
2.400 0.700 0.700 peak 231 spectrum 2 weight 0.11000E+01 volume 0.39701E-02 ppm1 4.951 ppm2 3.764 CV 1
ASSI { 232}
(( segid "FecA" and resid 37 and name HA ))
(( segid "FecA" and resid 37 and name HB1 ))
3.100 1.200 1.200 peak 232 spectrum 2 weight 0.11000E+01 volume 0.23040E-02 ppm1 4.948 ppm2 3.259 CV 1
ASSI { 233}
(( segid "FecA" and resid 46 and name HB ))
(( segid "FecA" and resid 46 and name HA ))
3.100 1.200 1.200 peak 233 spectrum 2 weight 0.11000E+01 volume 0.17199E-02 ppm1 1.641 ppm2 3.758 CV 1
ASSI { 234}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 46 and name HA ))
2.600 0.800 0.800 peak 234 spectrum 2 weight 0.11000E+01 volume 0.50812E-02 ppm1 0.864 ppm2 3.757 CV 1
ASSI { 236}
(( segid "FecA" and resid 57 and name HB1 ))
(( segid "FecA" and resid 57 and name HB2 ))
1.700 0.400 0.500 peak 236 spectrum 2 weight 0.11000E+01 volume 0.16503E-01 ppm1 3.791 ppm2 4.155 CV 1
ASSI { 238}
(( segid "FecA" and resid 57 and name HA ))
(( segid "FecA" and resid 57 and name HB1 ))
2.500 0.800 0.800 peak 238 spectrum 2 weight 0.11000E+01 volume 0.56781E-02 ppm1 4.367 ppm2 3.792 CV 1
ASSI { 240}
( segid "FecA" and resid 54 and name HD2%)
(( segid "FecA" and resid 57 and name HB2 ))
3.500 3.500 2.500 peak 240 spectrum 2 weight 0.11000E+01 volume 0.14608E-02 ppm1 0.839 ppm2 4.154 CV 1
ASSI { 241}
( segid "FecA" and resid 54 and name HD2%)
(( segid "FecA" and resid 57 and name HB1 ))
3.500 3.500 2.500 peak 241 spectrum 2 weight 0.11000E+01 volume 0.16090E-02 ppm1 0.836 ppm2 3.795 CV 1
ASSI { 242}
(( segid "FecA" and resid 68 and name HA ))
(( segid "FecA" and resid 68 and name HB1 ))
2.500 0.800 0.800 peak 242 spectrum 2 weight 0.11000E+01 volume 0.64420E-02 ppm1 5.709 ppm2 3.624 CV 1
OR { 242}
(( segid "FecA" and resid 68 and name HA ))
(( segid "FecA" and resid 68 and name HB2 ))
ASSI { 243}
(( segid "FecA" and resid 24 and name HB ))
(( segid "FecA" and resid 68 and name HB2 ))
3.100 3.100 2.900 peak 243 spectrum 2 weight 0.11000E+01 volume 0.20225E-02 ppm1 4.253 ppm2 3.627 CV 1
ASSI { 244}
(( segid "FecA" and resid 66 and name HB2 ))
(( segid "FecA" and resid 68 and name HB2 ))
4.700 2.800 1.300 peak 244 spectrum 2 weight 0.11000E+01 volume 0.19796E-03 ppm1 2.828 ppm2 3.638 CV 1
ASSI { 245}
(( segid "FecA" and resid 64 and name HB2 ))
(( segid "FecA" and resid 68 and name HB2 ))
3.100 1.200 1.200 peak 245 spectrum 2 weight 0.11000E+01 volume 0.15841E-02 ppm1 1.437 ppm2 3.633 CV 1
OR { 245}
(( segid "FecA" and resid 64 and name HB2 ))
(( segid "FecA" and resid 68 and name HB1 ))
ASSI { 246}
(( segid "FecA" and resid 64 and name HB1 ))
(( segid "FecA" and resid 68 and name HB2 ))
2.700 0.900 0.900 peak 246 spectrum 2 weight 0.11000E+01 volume 0.36265E-02 ppm1 1.350 ppm2 3.625 CV 1
OR { 246}
(( segid "FecA" and resid 64 and name HB1 ))
(( segid "FecA" and resid 68 and name HB1 ))
ASSI { 247}
( segid "FecA" and resid 24 and name HG2%)
(( segid "FecA" and resid 68 and name HB1 ))
3.700 1.700 1.700 peak 247 spectrum 2 weight 0.11000E+01 volume 0.11451E-02 ppm1 1.248 ppm2 3.627 CV 1
OR { 247}
( segid "FecA" and resid 24 and name HG2%)
(( segid "FecA" and resid 68 and name HB2 ))
ASSI { 248}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 68 and name HB2 ))
3.400 3.400 2.600 peak 248 spectrum 2 weight 0.11000E+01 volume 0.20230E-02 ppm1 0.798 ppm2 3.623 CV 1
OR { 248}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 68 and name HB1 ))
ASSI { 249}
(( segid "FecA" and resid 5 and name HG11))
(( segid "FecA" and resid 5 and name HB ))
2.400 0.700 0.700 peak 249 spectrum 2 weight 0.11000E+01 volume 0.47731E-02 ppm1 1.191 ppm2 1.607 CV 1
OR { 249}
(( segid "FecA" and resid 5 and name HG12))
(( segid "FecA" and resid 5 and name HB ))
ASSI { 250}
(( segid "FecA" and resid 40 and name HB2 ))
(( segid "FecA" and resid 5 and name HB ))
3.300 1.400 1.400 peak 250 spectrum 2 weight 0.11000E+01 volume 0.23431E-02 ppm1 1.107 ppm2 1.606 CV 1
ASSI { 253}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 5 and name HB ))
4.900 3.000 1.100 peak 253 spectrum 2 weight 0.11000E+01 volume 0.14612E-03 ppm1 0.539 ppm2 1.604 CV 1
ASSI { 255}
(( segid "FecA" and resid 67 and name HB1 ))
(( segid "FecA" and resid 67 and name HB2 ))
1.800 0.400 0.400 peak 255 spectrum 2 weight 0.11000E+01 volume 0.16688E-01 ppm1 2.668 ppm2 3.381 CV 1
ASSI { 257}
(( segid "FecA" and resid 67 and name HA ))
(( segid "FecA" and resid 67 and name HB2 ))
2.800 1.000 1.000 peak 257 spectrum 2 weight 0.11000E+01 volume 0.28024E-02 ppm1 4.426 ppm2 3.384 CV 1
ASSI { 258}
(( segid "FecA" and resid 67 and name HA ))
(( segid "FecA" and resid 67 and name HB1 ))
2.900 1.000 1.000 peak 258 spectrum 2 weight 0.11000E+01 volume 0.35084E-02 ppm1 4.427 ppm2 2.668 CV 1
ASSI { 259}
(( segid "FecA" and resid 23 and name HA ))
(( segid "FecA" and resid 67 and name HB2 ))
5.600 3.900 0.400 peak 259 spectrum 2 weight 0.11000E+01 volume 0.17519E-03 ppm1 5.326 ppm2 3.379 CV 1
ASSI { 261}
(( segid "FecA" and resid 15 and name HB2 ))
(( segid "FecA" and resid 15 and name HB1 ))
1.600 0.300 0.600 peak 261 spectrum 2 weight 0.11000E+01 volume 0.21350E-01 ppm1 2.913 ppm2 2.772 CV 1
ASSI { 262}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 15 and name HB1 ))
3.100 1.200 1.200 peak 262 spectrum 2 weight 0.11000E+01 volume 0.93892E-03 ppm1 4.049 ppm2 2.773 CV 1
ASSI { 263}
(( segid "FecA" and resid 15 and name HA ))
(( segid "FecA" and resid 15 and name HB1 ))
2.900 1.100 1.100 peak 263 spectrum 2 weight 0.11000E+01 volume 0.44855E-02 ppm1 4.381 ppm2 2.765 CV 1
ASSI { 264}
(( segid "FecA" and resid 15 and name HA ))
(( segid "FecA" and resid 15 and name HB2 ))
2.700 0.900 0.900 peak 264 spectrum 2 weight 0.11000E+01 volume 0.28893E-02 ppm1 4.382 ppm2 2.920 CV 1
ASSI { 265}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 15 and name HB2 ))
3.300 1.300 1.300 peak 265 spectrum 2 weight 0.11000E+01 volume 0.21484E-02 ppm1 4.050 ppm2 2.922 CV 1
ASSI { 266}
(( segid "FecA" and resid 38 and name HA ))
(( segid "FecA" and resid 38 and name HB2 ))
2.800 1.000 1.000 peak 266 spectrum 2 weight 0.11000E+01 volume 0.52964E-02 ppm1 4.918 ppm2 2.985 CV 1
ASSI { 267}
(( segid "FecA" and resid 17 and name HA ))
(( segid "FecA" and resid 17 and name HB2 ))
2.800 0.900 0.900 peak 267 spectrum 2 weight 0.11000E+01 volume 0.25025E-02 ppm1 4.485 ppm2 3.107 CV 1
ASSI { 268}
(( segid "FecA" and resid 17 and name HA ))
(( segid "FecA" and resid 17 and name HB1 ))
3.400 1.400 1.400 peak 268 spectrum 2 weight 0.11000E+01 volume 0.12952E-02 ppm1 4.485 ppm2 3.017 CV 1
ASSI { 269}
(( segid "FecA" and resid 17 and name HB2 ))
(( segid "FecA" and resid 17 and name HB1 ))
1.700 0.400 0.500 peak 269 spectrum 2 weight 0.11000E+01 volume 0.13478E-01 ppm1 3.100 ppm2 3.006 CV 1
ASSI { 271}
(( segid "FecA" and resid 69 and name HZ3 ))
(( segid "FecA" and resid 17 and name HB2 ))
4.800 2.900 1.200 peak 271 spectrum 2 weight 0.11000E+01 volume 0.41865E-03 ppm1 6.811 ppm2 3.124 CV 1
ASSI { 272}
(( segid "FecA" and resid 69 and name HZ3 ))
(( segid "FecA" and resid 17 and name HB1 ))
3.700 1.700 1.700 peak 272 spectrum 2 weight 0.11000E+01 volume 0.10245E-02 ppm1 6.810 ppm2 3.009 CV 1
ASSI { 273}
(( segid "FecA" and resid 69 and name HH2 ))
(( segid "FecA" and resid 17 and name HB1 ))
3.700 1.700 1.700 peak 273 spectrum 2 weight 0.11000E+01 volume 0.28151E-03 ppm1 7.056 ppm2 2.996 CV 1
ASSI { 274}
(( segid "FecA" and resid 69 and name HH2 ))
(( segid "FecA" and resid 17 and name HB2 ))
4.800 2.900 1.200 peak 274 spectrum 2 weight 0.11000E+01 volume 0.36128E-03 ppm1 7.057 ppm2 3.115 CV 1
ASSI { 275}
( segid "FecA" and resid 5 and name HD1%)
(( segid "FecA" and resid 17 and name HB2 ))
2.900 2.900 3.100 peak 275 spectrum 2 weight 0.11000E+01 volume 0.18642E-02 ppm1 0.713 ppm2 3.108 CV 1
ASSI { 276}
( segid "FecA" and resid 53 and name HD1%)
(( segid "FecA" and resid 17 and name HB2 ))
2.600 2.600 3.400 peak 276 spectrum 2 weight 0.11000E+01 volume 0.19812E-02 ppm1 0.455 ppm2 3.111 CV 1
ASSI { 279}
(( segid "FecA" and resid 21 and name HB2 ))
(( segid "FecA" and resid 21 and name HB1 ))
1.800 0.400 0.400 peak 279 spectrum 2 weight 0.11000E+01 volume 0.15427E-01 ppm1 3.879 ppm2 3.676 CV 1
ASSI { 280}
(( segid "FecA" and resid 21 and name HA ))
(( segid "FecA" and resid 21 and name HB2 ))
2.600 0.800 0.800 peak 280 spectrum 2 weight 0.11000E+01 volume 0.54679E-02 ppm1 4.391 ppm2 3.882 CV 1
ASSI { 281}
(( segid "FecA" and resid 21 and name HA ))
(( segid "FecA" and resid 21 and name HB1 ))
3.000 1.100 1.100 peak 281 spectrum 2 weight 0.11000E+01 volume 0.28686E-02 ppm1 4.391 ppm2 3.674 CV 1
ASSI { 282}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 21 and name HB2 ))
2.800 2.800 3.200 peak 282 spectrum 2 weight 0.11000E+01 volume 0.12293E-02 ppm1 0.862 ppm2 3.888 CV 1
ASSI { 283}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 21 and name HB1 ))
4.400 4.400 1.600 peak 283 spectrum 2 weight 0.11000E+01 volume 0.13036E-03 ppm1 0.861 ppm2 3.679 CV 1
ASSI { 284}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 5 and name HD1%)
4.800 2.800 1.200 peak 284 spectrum 2 weight 0.11000E+01 volume 0.15426E-03 ppm1 -0.044 ppm2 0.723 CV 1
ASSI { 285}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 5 and name HD1%)
3.300 1.400 1.400 peak 285 spectrum 2 weight 0.11000E+01 volume 0.10169E-02 ppm1 0.452 ppm2 0.719 CV 1
ASSI { 286}
( segid "FecA" and resid 53 and name HD2%)
( segid "FecA" and resid 5 and name HD1%)
4.200 2.200 1.800 peak 286 spectrum 2 weight 0.11000E+01 volume 0.22496E-03 ppm1 0.539 ppm2 0.715 CV 1
ASSI { 288}
(( segid "FecA" and resid 5 and name HG12))
( segid "FecA" and resid 5 and name HD1%)
2.300 0.600 0.600 peak 288 spectrum 2 weight 0.11000E+01 volume 0.80847E-02 ppm1 1.188 ppm2 0.724 CV 1
OR { 288}
(( segid "FecA" and resid 5 and name HG11))
( segid "FecA" and resid 5 and name HD1%)
ASSI { 289}
(( segid "FecA" and resid 5 and name HB ))
( segid "FecA" and resid 5 and name HD1%)
3.100 1.200 1.200 peak 289 spectrum 2 weight 0.11000E+01 volume 0.17094E-02 ppm1 1.608 ppm2 0.716 CV 1
ASSI { 290}
(( segid "FecA" and resid 16 and name HB1 ))
( segid "FecA" and resid 5 and name HD1%)
3.100 3.100 2.900 peak 290 spectrum 2 weight 0.11000E+01 volume 0.13463E-02 ppm1 2.055 ppm2 0.720 CV 1
ASSI { 291}
(( segid "FecA" and resid 16 and name HB2 ))
( segid "FecA" and resid 5 and name HD1%)
3.400 1.500 1.500 peak 291 spectrum 2 weight 0.11000E+01 volume 0.18208E-02 ppm1 2.362 ppm2 0.715 CV 1
ASSI { 293}
(( segid "FecA" and resid 5 and name HA ))
( segid "FecA" and resid 5 and name HD1%)
3.100 1.200 1.200 peak 293 spectrum 2 weight 0.11000E+01 volume 0.28131E-02 ppm1 4.209 ppm2 0.719 CV 1
ASSI { 294}
(( segid "FecA" and resid 17 and name HA ))
( segid "FecA" and resid 5 and name HD1%)
2.900 2.900 3.100 peak 294 spectrum 2 weight 0.11000E+01 volume 0.35771E-02 ppm1 4.487 ppm2 0.718 CV 1
ASSI { 295}
(( segid "FecA" and resid 66 and name HB1 ))
(( segid "FecA" and resid 66 and name HB2 ))
1.800 0.400 0.400 peak 295 spectrum 2 weight 0.11000E+01 volume 0.16513E-01 ppm1 2.650 ppm2 2.862 CV 1
ASSI { 297}
(( segid "FecA" and resid 66 and name HA ))
(( segid "FecA" and resid 66 and name HB2 ))
2.700 0.900 0.900 peak 297 spectrum 2 weight 0.11000E+01 volume 0.39856E-02 ppm1 4.287 ppm2 2.866 CV 1
ASSI { 298}
(( segid "FecA" and resid 66 and name HA ))
(( segid "FecA" and resid 66 and name HB1 ))
2.900 1.100 1.100 peak 298 spectrum 2 weight 0.11000E+01 volume 0.29781E-02 ppm1 4.288 ppm2 2.645 CV 1
ASSI { 300}
(( segid "FecA" and resid 47 and name HB1 ))
(( segid "FecA" and resid 47 and name HG2 ))
2.200 0.600 0.600 peak 300 spectrum 2 weight 0.11000E+01 volume 0.14917E-01 ppm1 1.985 ppm2 2.148 CV 1
OR { 300}
(( segid "FecA" and resid 47 and name HB1 ))
(( segid "FecA" and resid 47 and name HG1 ))
ASSI { 301}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 47 and name HG1 ))
4.200 2.200 1.800 peak 301 spectrum 2 weight 0.11000E+01 volume 0.11968E-02 ppm1 0.898 ppm2 2.163 CV 1
OR { 301}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 47 and name HG2 ))
ASSI { 303}
(( segid "FecA" and resid 9 and name HB2 ))
(( segid "FecA" and resid 9 and name HB1 ))
1.800 0.400 0.400 peak 303 spectrum 2 weight 0.11000E+01 volume 0.15397E-01 ppm1 4.186 ppm2 4.037 CV 1
ASSI { 304}
(( segid "FecA" and resid 9 and name HA ))
(( segid "FecA" and resid 9 and name HB2 ))
2.400 0.700 0.700 peak 304 spectrum 2 weight 0.11000E+01 volume 0.55172E-02 ppm1 4.400 ppm2 4.192 CV 1
ASSI { 306}
(( segid "FecA" and resid 59 and name HA ))
(( segid "FecA" and resid 75 and name HA ))
2.500 2.500 3.500 peak 306 spectrum 2 weight 0.11000E+01 volume 0.48141E-02 ppm1 5.019 ppm2 4.632 CV 1
ASSI { 307}
(( segid "FecA" and resid 75 and name HB1 ))
(( segid "FecA" and resid 75 and name HA ))
2.400 0.700 0.700 peak 307 spectrum 2 weight 0.11000E+01 volume 0.46864E-02 ppm1 2.380 ppm2 4.632 CV 1
ASSI { 308}
(( segid "FecA" and resid 75 and name HG1 ))
(( segid "FecA" and resid 75 and name HA ))
4.700 2.800 1.300 peak 308 spectrum 2 weight 0.11000E+01 volume 0.50626E-03 ppm1 1.945 ppm2 4.638 CV 1
ASSI { 309}
(( segid "FecA" and resid 77 and name HB1 ))
(( segid "FecA" and resid 75 and name HA ))
3.500 3.500 2.500 peak 309 spectrum 2 weight 0.11000E+01 volume 0.20212E-02 ppm1 1.886 ppm2 4.632 CV 1
ASSI { 310}
( segid "FecA" and resid 59 and name HD2%)
(( segid "FecA" and resid 75 and name HA ))
2.800 2.800 3.200 peak 310 spectrum 2 weight 0.11000E+01 volume 0.50744E-02 ppm1 0.795 ppm2 4.630 CV 1
ASSI { 311}
(( segid "FecA" and resid 26 and name HA ))
(( segid "FecA" and resid 26 and name HB2 ))
2.900 1.100 1.100 peak 311 spectrum 2 weight 0.11000E+01 volume 0.25631E-02 ppm1 4.834 ppm2 3.864 CV 1
ASSI { 312}
(( segid "FecA" and resid 26 and name HA ))
(( segid "FecA" and resid 26 and name HB1 ))
2.700 0.900 0.900 peak 312 spectrum 2 weight 0.11000E+01 volume 0.36138E-02 ppm1 4.834 ppm2 3.723 CV 1
ASSI { 313}
(( segid "FecA" and resid 26 and name HB2 ))
(( segid "FecA" and resid 26 and name HB1 ))
1.600 0.300 0.600 peak 313 spectrum 2 weight 0.11000E+01 volume 0.36383E-01 ppm1 3.862 ppm2 3.732 CV 1
ASSI { 315}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 26 and name HB2 ))
3.600 3.600 2.400 peak 315 spectrum 2 weight 0.11000E+01 volume 0.89283E-03 ppm1 0.798 ppm2 3.873 CV 1
ASSI { 316}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 26 and name HB1 ))
3.800 1.800 1.800 peak 316 spectrum 2 weight 0.11000E+01 volume 0.75422E-03 ppm1 0.799 ppm2 3.724 CV 1
ASSI { 317}
(( segid "FecA" and resid 69 and name HA ))
(( segid "FecA" and resid 63 and name HA ))
2.200 0.600 0.600 peak 317 spectrum 2 weight 0.11000E+01 volume 0.33672E-02 ppm1 5.075 ppm2 3.988 CV 1
ASSI { 318}
(( segid "FecA" and resid 63 and name HB1 ))
(( segid "FecA" and resid 63 and name HA ))
2.300 0.600 0.600 peak 318 spectrum 2 weight 0.11000E+01 volume 0.59460E-02 ppm1 1.564 ppm2 3.990 CV 1
OR { 318}
(( segid "FecA" and resid 63 and name HB2 ))
(( segid "FecA" and resid 63 and name HA ))
ASSI { 319}
(( segid "FecA" and resid 77 and name HB1 ))
(( segid "FecA" and resid 77 and name HA ))
2.600 0.800 0.800 peak 319 spectrum 2 weight 0.11000E+01 volume 0.37682E-02 ppm1 1.887 ppm2 4.396 CV 1
ASSI { 321}
(( segid "FecA" and resid 73 and name HB1 ))
(( segid "FecA" and resid 73 and name HA ))
2.100 0.600 0.600 peak 321 spectrum 2 weight 0.11000E+01 volume 0.84452E-02 ppm1 2.284 ppm2 4.400 CV 1
ASSI { 322}
(( segid "FecA" and resid 73 and name HD2 ))
(( segid "FecA" and resid 73 and name HA ))
3.400 1.400 1.400 peak 322 spectrum 2 weight 0.11000E+01 volume 0.16474E-02 ppm1 3.591 ppm2 4.395 CV 1
ASSI { 323}
(( segid "FecA" and resid 7 and name HB1 ))
(( segid "FecA" and resid 7 and name HA ))
2.800 1.000 1.000 peak 323 spectrum 2 weight 0.11000E+01 volume 0.17744E-02 ppm1 1.926 ppm2 4.204 CV 1
ASSI { 325}
(( segid "FecA" and resid 7 and name HB2 ))
(( segid "FecA" and resid 7 and name HA ))
2.900 1.000 1.000 peak 325 spectrum 2 weight 0.11000E+01 volume 0.42971E-02 ppm1 2.342 ppm2 4.206 CV 1
ASSI { 326}
(( segid "FecA" and resid 38 and name HA ))
(( segid "FecA" and resid 7 and name HA ))
3.100 1.200 1.200 peak 326 spectrum 2 weight 0.11000E+01 volume 0.12491E-02 ppm1 4.916 ppm2 4.208 CV 1
ASSI { 327}
(( segid "FecA" and resid 48 and name HA ))
(( segid "FecA" and resid 48 and name HB1 ))
2.400 0.700 0.700 peak 327 spectrum 2 weight 0.11000E+01 volume 0.83289E-02 ppm1 4.276 ppm2 4.076 CV 1
OR { 327}
(( segid "FecA" and resid 48 and name HA ))
(( segid "FecA" and resid 48 and name HB2 ))
ASSI { 328}
(( segid "FecA" and resid 24 and name HB ))
(( segid "FecA" and resid 24 and name HA ))
2.700 0.900 0.900 peak 328 spectrum 2 weight 0.11000E+01 volume 0.42419E-02 ppm1 4.255 ppm2 4.573 CV 1
ASSI { 329}
( segid "FecA" and resid 24 and name HG2%)
(( segid "FecA" and resid 24 and name HA ))
2.800 1.000 1.000 peak 329 spectrum 2 weight 0.11000E+01 volume 0.30399E-02 ppm1 1.249 ppm2 4.578 CV 1
ASSI { 330}
( segid "FecA" and resid 18 and name HB% )
(( segid "FecA" and resid 24 and name HA ))
4.800 4.800 1.200 peak 330 spectrum 2 weight 0.11000E+01 volume 0.18546E-03 ppm1 1.020 ppm2 4.571 CV 1
ASSI { 331}
(( segid "FecA" and resid 30 and name HB1 ))
(( segid "FecA" and resid 30 and name HA ))
2.400 0.700 0.700 peak 331 spectrum 2 weight 0.11000E+01 volume 0.78751E-02 ppm1 3.945 ppm2 4.124 CV 1
OR { 331}
(( segid "FecA" and resid 30 and name HB2 ))
(( segid "FecA" and resid 30 and name HA ))
ASSI { 332}
( segid "FecA" and resid 59 and name HD1%)
(( segid "FecA" and resid 32 and name HA ))
3.500 1.500 1.500 peak 332 spectrum 2 weight 0.11000E+01 volume 0.91315E-03 ppm1 0.711 ppm2 4.087 CV 1
ASSI { 333}
( segid "FecA" and resid 32 and name HG2%)
(( segid "FecA" and resid 32 and name HA ))
2.500 0.800 0.800 peak 333 spectrum 2 weight 0.11000E+01 volume 0.74847E-02 ppm1 0.843 ppm2 4.092 CV 1
ASSI { 336}
(( segid "FecA" and resid 35 and name HD2 ))
(( segid "FecA" and resid 32 and name HA ))
4.400 2.400 1.600 peak 336 spectrum 2 weight 0.11000E+01 volume 0.41077E-03 ppm1 1.723 ppm2 4.085 CV 1
ASSI { 337}
(( segid "FecA" and resid 35 and name HB2 ))
(( segid "FecA" and resid 32 and name HA ))
4.400 2.500 1.600 peak 337 spectrum 2 weight 0.11000E+01 volume 0.19112E-03 ppm1 1.955 ppm2 4.100 CV 1
ASSI { 340}
(( segid "FecA" and resid 48 and name HB1 ))
(( segid "FecA" and resid 48 and name HA ))
2.600 0.800 0.800 peak 340 spectrum 2 weight 0.11000E+01 volume 0.48718E-02 ppm1 4.047 ppm2 4.274 CV 1
ASSI { 343}
( segid "FecA" and resid 27 and name HG1%)
(( segid "FecA" and resid 27 and name HA ))
3.200 1.300 1.300 peak 343 spectrum 2 weight 0.11000E+01 volume 0.28975E-02 ppm1 0.825 ppm2 4.419 CV 1
ASSI { 344}
( segid "FecA" and resid 27 and name HG2%)
(( segid "FecA" and resid 27 and name HA ))
3.000 1.100 1.100 peak 344 spectrum 2 weight 0.11000E+01 volume 0.26388E-02 ppm1 0.981 ppm2 4.422 CV 1
ASSI { 345}
(( segid "FecA" and resid 27 and name HB ))
(( segid "FecA" and resid 27 and name HA ))
2.700 0.900 0.900 peak 345 spectrum 2 weight 0.11000E+01 volume 0.25412E-02 ppm1 2.054 ppm2 4.420 CV 1
ASSI { 346}
( segid "FecA" and resid 61 and name HG1%)
(( segid "FecA" and resid 61 and name HA ))
2.700 2.700 3.300 peak 346 spectrum 2 weight 0.11000E+01 volume 0.59888E-02 ppm1 0.868 ppm2 4.819 CV 1
ASSI { 347}
(( segid "FecA" and resid 61 and name HB ))
(( segid "FecA" and resid 61 and name HA ))
2.600 0.900 0.900 peak 347 spectrum 2 weight 0.11000E+01 volume 0.29817E-02 ppm1 2.033 ppm2 4.819 CV 1
ASSI { 348}
(( segid "FecA" and resid 71 and name HA ))
(( segid "FecA" and resid 61 and name HA ))
2.600 0.800 0.800 peak 348 spectrum 2 weight 0.11000E+01 volume 0.42310E-02 ppm1 5.512 ppm2 4.818 CV 1
ASSI { 349}
(( segid "FecA" and resid 57 and name HB2 ))
(( segid "FecA" and resid 57 and name HA ))
2.200 0.600 0.600 peak 349 spectrum 2 weight 0.11000E+01 volume 0.11769E-01 ppm1 4.151 ppm2 4.362 CV 1
ASSI { 352}
(( segid "FecA" and resid 62 and name HG2 ))
(( segid "FecA" and resid 62 and name HB1 ))
2.600 0.800 0.800 peak 352 spectrum 2 weight 0.11000E+01 volume 0.35123E-02 ppm1 1.368 ppm2 1.544 CV 1
ASSI { 353}
(( segid "FecA" and resid 62 and name HG1 ))
(( segid "FecA" and resid 62 and name HB1 ))
3.100 1.200 1.200 peak 353 spectrum 2 weight 0.11000E+01 volume 0.26051E-02 ppm1 1.202 ppm2 1.550 CV 1
ASSI { 354}
(( segid "FecA" and resid 62 and name HG1 ))
(( segid "FecA" and resid 62 and name HB2 ))
2.500 0.800 0.800 peak 354 spectrum 2 weight 0.11000E+01 volume 0.36987E-02 ppm1 1.202 ppm2 1.709 CV 1
ASSI { 355}
(( segid "FecA" and resid 62 and name HG2 ))
(( segid "FecA" and resid 62 and name HB2 ))
3.100 1.200 1.200 peak 355 spectrum 2 weight 0.11000E+01 volume 0.23066E-02 ppm1 1.373 ppm2 1.701 CV 1
ASSI { 356}
(( segid "FecA" and resid 62 and name HB1 ))
(( segid "FecA" and resid 62 and name HB2 ))
1.600 0.300 0.600 peak 356 spectrum 2 weight 0.11000E+01 volume 0.25799E-01 ppm1 1.551 ppm2 1.707 CV 1
ASSI { 357}
(( segid "FecA" and resid 63 and name HD1 ))
(( segid "FecA" and resid 62 and name HB1 ))
5.000 3.100 1.000 peak 357 spectrum 2 weight 0.11000E+01 volume 0.23275E-03 ppm1 3.867 ppm2 1.547 CV 1
OR { 357}
(( segid "FecA" and resid 63 and name HD2 ))
(( segid "FecA" and resid 62 and name HB1 ))
ASSI { 358}
(( segid "FecA" and resid 63 and name HD1 ))
(( segid "FecA" and resid 62 and name HB2 ))
5.300 3.500 0.700 peak 358 spectrum 2 weight 0.11000E+01 volume 0.16967E-03 ppm1 3.869 ppm2 1.705 CV 1
OR { 358}
(( segid "FecA" and resid 63 and name HD2 ))
(( segid "FecA" and resid 62 and name HB2 ))
ASSI { 359}
(( segid "FecA" and resid 62 and name HA ))
(( segid "FecA" and resid 62 and name HB2 ))
3.000 1.100 1.100 peak 359 spectrum 2 weight 0.11000E+01 volume 0.16741E-02 ppm1 5.083 ppm2 1.707 CV 1
ASSI { 360}
(( segid "FecA" and resid 62 and name HA ))
(( segid "FecA" and resid 62 and name HB1 ))
2.800 0.900 0.900 peak 360 spectrum 2 weight 0.11000E+01 volume 0.23855E-02 ppm1 5.082 ppm2 1.550 CV 1
ASSI { 362}
( segid "FecA" and resid 27 and name HG1%)
(( segid "FecA" and resid 27 and name HB ))
2.500 0.800 0.800 peak 362 spectrum 2 weight 0.11000E+01 volume 0.53774E-02 ppm1 0.827 ppm2 2.059 CV 1
ASSI { 364}
( segid "FecA" and resid 3 and name HG2%)
(( segid "FecA" and resid 3 and name HB ))
2.300 0.600 0.600 peak 364 spectrum 2 weight 0.11000E+01 volume 0.97538E-02 ppm1 0.846 ppm2 1.928 CV 1
ASSI { 365}
( segid "FecA" and resid 32 and name HG2%)
(( segid "FecA" and resid 35 and name HB1 ))
3.400 3.400 2.600 peak 365 spectrum 2 weight 0.11000E+01 volume 0.16233E-02 ppm1 0.839 ppm2 1.801 CV 1
ASSI { 366}
(( segid "FecA" and resid 10 and name HB1 ))
(( segid "FecA" and resid 35 and name HB2 ))
4.600 2.600 1.400 peak 366 spectrum 2 weight 0.11000E+01 volume 0.25178E-03 ppm1 1.095 ppm2 1.925 CV 1
ASSI { 367}
(( segid "FecA" and resid 10 and name HB1 ))
(( segid "FecA" and resid 35 and name HB1 ))
4.400 2.400 1.600 peak 367 spectrum 2 weight 0.11000E+01 volume 0.12431E-03 ppm1 1.090 ppm2 1.820 CV 1
ASSI { 368}
(( segid "FecA" and resid 35 and name HG1 ))
(( segid "FecA" and resid 35 and name HB2 ))
2.500 2.500 3.500 peak 368 spectrum 2 weight 0.11000E+01 volume 0.44330E-02 ppm1 1.404 ppm2 1.924 CV 1
OR { 368}
(( segid "FecA" and resid 35 and name HG1 ))
(( segid "FecA" and resid 35 and name HB1 ))
OR { 368}
(( segid "FecA" and resid 35 and name HG2 ))
(( segid "FecA" and resid 35 and name HB2 ))
OR { 368}
(( segid "FecA" and resid 35 and name HG2 ))
(( segid "FecA" and resid 35 and name HB1 ))
ASSI { 370}
(( segid "FecA" and resid 35 and name HB1 ))
(( segid "FecA" and resid 35 and name HB2 ))
1.600 0.300 0.600 peak 370 spectrum 2 weight 0.11000E+01 volume 0.25580E-01 ppm1 1.810 ppm2 1.931 CV 1
ASSI { 371}
(( segid "FecA" and resid 3 and name HA ))
(( segid "FecA" and resid 3 and name HB ))
2.600 0.800 0.800 peak 371 spectrum 2 weight 0.11000E+01 volume 0.41396E-02 ppm1 4.141 ppm2 1.927 CV 1
ASSI { 372}
(( segid "FecA" and resid 35 and name HA ))
(( segid "FecA" and resid 35 and name HB2 ))
3.000 1.100 1.100 peak 372 spectrum 2 weight 0.11000E+01 volume 0.16884E-02 ppm1 4.595 ppm2 1.947 CV 1
ASSI { 373}
(( segid "FecA" and resid 35 and name HA ))
(( segid "FecA" and resid 35 and name HB1 ))
2.900 1.000 1.000 peak 373 spectrum 2 weight 0.11000E+01 volume 0.28060E-02 ppm1 4.592 ppm2 1.807 CV 1
ASSI { 375}
(( segid "FecA" and resid 16 and name HB1 ))
(( segid "FecA" and resid 16 and name HG1 ))
2.200 0.600 0.600 peak 375 spectrum 2 weight 0.11000E+01 volume 0.11214E-01 ppm1 2.064 ppm2 2.356 CV 1
ASSI { 376}
( segid "FecA" and resid 5 and name HD1%)
(( segid "FecA" and resid 16 and name HG1 ))
3.500 3.500 2.500 peak 376 spectrum 2 weight 0.11000E+01 volume 0.10199E-02 ppm1 0.714 ppm2 2.357 CV 1
ASSI { 377}
(( segid "FecA" and resid 16 and name HA ))
(( segid "FecA" and resid 16 and name HG1 ))
3.400 1.500 1.500 peak 377 spectrum 2 weight 0.11000E+01 volume 0.27027E-02 ppm1 4.113 ppm2 2.361 CV 1
ASSI { 378}
(( segid "FecA" and resid 69 and name HB2 ))
(( segid "FecA" and resid 69 and name HB1 ))
1.800 0.400 0.400 peak 378 spectrum 2 weight 0.11000E+01 volume 0.12129E-01 ppm1 3.066 ppm2 2.825 CV 1
ASSI { 380}
( segid "FecA" and resid 61 and name HG2%)
(( segid "FecA" and resid 69 and name HB2 ))
3.400 1.500 1.500 peak 380 spectrum 2 weight 0.11000E+01 volume 0.16225E-02 ppm1 0.913 ppm2 3.068 CV 1
ASSI { 381}
( segid "FecA" and resid 61 and name HG2%)
(( segid "FecA" and resid 69 and name HB1 ))
2.900 1.000 1.000 peak 381 spectrum 2 weight 0.11000E+01 volume 0.19202E-02 ppm1 0.913 ppm2 2.821 CV 1
ASSI { 382}
( segid "FecA" and resid 50 and name HD1%)
(( segid "FecA" and resid 69 and name HB1 ))
5.100 3.300 0.900 peak 382 spectrum 2 weight 0.11000E+01 volume 0.72634E-04 ppm1 -0.228 ppm2 2.832 CV 1
ASSI { 385}
(( segid "FecA" and resid 16 and name HG1 ))
(( segid "FecA" and resid 16 and name HG2 ))
1.700 0.400 0.500 peak 385 spectrum 2 weight 0.11000E+01 volume 0.17341E-01 ppm1 2.363 ppm2 2.673 CV 1
ASSI { 386}
(( segid "FecA" and resid 16 and name HB1 ))
(( segid "FecA" and resid 16 and name HG2 ))
3.400 1.400 1.400 peak 386 spectrum 2 weight 0.11000E+01 volume 0.13943E-02 ppm1 2.069 ppm2 2.674 CV 1
ASSI { 387}
(( segid "FecA" and resid 16 and name HA ))
(( segid "FecA" and resid 16 and name HG2 ))
3.300 1.300 1.300 peak 387 spectrum 2 weight 0.11000E+01 volume 0.10879E-02 ppm1 4.112 ppm2 2.672 CV 1
ASSI { 388}
(( segid "FecA" and resid 47 and name HG2 ))
(( segid "FecA" and resid 47 and name HA ))
2.700 0.900 0.900 peak 388 spectrum 2 weight 0.11000E+01 volume 0.41609E-02 ppm1 2.155 ppm2 3.281 CV 1
OR { 388}
(( segid "FecA" and resid 47 and name HG1 ))
(( segid "FecA" and resid 47 and name HA ))
ASSI { 389}
(( segid "FecA" and resid 47 and name HB2 ))
(( segid "FecA" and resid 47 and name HA ))
2.900 1.000 1.000 peak 389 spectrum 2 weight 0.11000E+01 volume 0.31373E-02 ppm1 2.085 ppm2 3.282 CV 1
ASSI { 390}
(( segid "FecA" and resid 47 and name HB1 ))
(( segid "FecA" and resid 47 and name HA ))
2.900 1.100 1.100 peak 390 spectrum 2 weight 0.11000E+01 volume 0.22118E-02 ppm1 1.984 ppm2 3.279 CV 1
ASSI { 392}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 47 and name HA ))
5.900 5.900 0.100 peak 392 spectrum 2 weight 0.11000E+01 volume 0.20715E-03 ppm1 0.894 ppm2 3.275 CV 1
ASSI { 393}
( segid "FecA" and resid 50 and name HD1%)
(( segid "FecA" and resid 47 and name HA ))
3.200 1.300 1.300 peak 393 spectrum 2 weight 0.11000E+01 volume 0.13655E-02 ppm1 -0.225 ppm2 3.284 CV 1
ASSI { 394}
( segid "FecA" and resid 46 and name HG1%)
(( segid "FecA" and resid 47 and name HA ))
3.700 1.700 1.700 peak 394 spectrum 2 weight 0.11000E+01 volume 0.71835E-03 ppm1 -0.388 ppm2 3.294 CV 1
ASSI { 395}
(( segid "FecA" and resid 2 and name HA ))
(( segid "FecA" and resid 2 and name HG2 ))
3.000 1.100 1.100 peak 395 spectrum 2 weight 0.11000E+01 volume 0.26682E-02 ppm1 4.406 ppm2 2.304 CV 1
OR { 395}
(( segid "FecA" and resid 2 and name HA ))
(( segid "FecA" and resid 2 and name HG1 ))
ASSI { 397}
( segid "FecA" and resid 61 and name HG2%)
(( segid "FecA" and resid 61 and name HB ))
2.400 0.700 0.700 peak 397 spectrum 2 weight 0.11000E+01 volume 0.56783E-02 ppm1 0.901 ppm2 2.032 CV 1
ASSI { 398}
( segid "FecA" and resid 54 and name HD1%)
(( segid "FecA" and resid 61 and name HB ))
3.700 1.700 1.700 peak 398 spectrum 2 weight 0.11000E+01 volume 0.71383E-03 ppm1 0.651 ppm2 2.038 CV 1
ASSI { 399}
(( segid "FecA" and resid 52 and name HB1 ))
(( segid "FecA" and resid 52 and name HG1 ))
2.300 0.700 0.700 peak 399 spectrum 2 weight 0.11000E+01 volume 0.65436E-02 ppm1 1.779 ppm2 2.125 CV 1
ASSI { 400}
(( segid "FecA" and resid 52 and name HB1 ))
(( segid "FecA" and resid 52 and name HG2 ))
2.800 1.000 1.000 peak 400 spectrum 2 weight 0.11000E+01 volume 0.47475E-02 ppm1 1.778 ppm2 2.276 CV 1
ASSI { 401}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 52 and name HG2 ))
3.800 1.800 1.800 peak 401 spectrum 2 weight 0.11000E+01 volume 0.11737E-02 ppm1 0.013 ppm2 2.281 CV 1
ASSI { 402}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 52 and name HG1 ))
3.300 1.400 1.400 peak 402 spectrum 2 weight 0.11000E+01 volume 0.80677E-03 ppm1 0.015 ppm2 2.132 CV 1
ASSI { 403}
(( segid "FecA" and resid 52 and name HA ))
(( segid "FecA" and resid 52 and name HG1 ))
4.800 2.900 1.200 peak 403 spectrum 2 weight 0.11000E+01 volume 0.23699E-03 ppm1 4.049 ppm2 2.131 CV 1
ASSI { 404}
(( segid "FecA" and resid 52 and name HA ))
(( segid "FecA" and resid 52 and name HG2 ))
5.400 3.600 0.600 peak 404 spectrum 2 weight 0.11000E+01 volume 0.71119E-04 ppm1 4.048 ppm2 2.279 CV 1
ASSI { 405}
(( segid "FecA" and resid 2 and name HB2 ))
(( segid "FecA" and resid 2 and name HG2 ))
2.200 0.600 0.600 peak 405 spectrum 2 weight 0.11000E+01 volume 0.18928E-01 ppm1 1.996 ppm2 2.301 CV 1
ASSI { 408}
(( segid "FecA" and resid 20 and name HB1 ))
(( segid "FecA" and resid 20 and name HA ))
2.600 0.800 0.800 peak 408 spectrum 2 weight 0.11000E+01 volume 0.53708E-02 ppm1 3.299 ppm2 4.264 CV 1
OR { 408}
(( segid "FecA" and resid 20 and name HB2 ))
(( segid "FecA" and resid 20 and name HA ))
ASSI { 409}
(( segid "FecA" and resid 20 and name HB1 ))
(( segid "FecA" and resid 17 and name HA ))
2.800 1.000 1.000 peak 409 spectrum 2 weight 0.11000E+01 volume 0.35366E-02 ppm1 3.299 ppm2 4.493 CV 1
OR { 409}
(( segid "FecA" and resid 20 and name HB2 ))
(( segid "FecA" and resid 17 and name HA ))
! ASSI { 413}
! (( segid "FecA" and resid 23 and name HZ ))
! (( segid "FecA" and resid 17 and name HA ))
! 3.400 3.400 2.600 peak 413 spectrum 2 weight 0.11000E+01 volume 0.28094E-02 ppm1 6.808 ppm2 4.492 CV 1
! ASSI { 414}
! (( segid "FecA" and resid 20 and name HD2 ))
! (( segid "FecA" and resid 17 and name HA ))
! 3.000 3.000 3.000 peak 414 spectrum 2 weight 0.11000E+01 volume 0.28901E-02 ppm1 7.059 ppm2 4.487 CV 1
ASSI { 415}
(( segid "FecA" and resid 36 and name HA ))
(( segid "FecA" and resid 9 and name HA ))
2.200 0.600 0.600 peak 415 spectrum 2 weight 0.11000E+01 volume 0.61403E-02 ppm1 4.757 ppm2 4.404 CV 1
ASSI { 417}
(( segid "FecA" and resid 9 and name HB1 ))
(( segid "FecA" and resid 9 and name HA ))
2.600 0.800 0.800 peak 417 spectrum 2 weight 0.11000E+01 volume 0.42042E-02 ppm1 4.027 ppm2 4.400 CV 1
ASSI { 418}
(( segid "FecA" and resid 8 and name HA1 ))
(( segid "FecA" and resid 9 and name HA ))
3.700 1.700 1.700 peak 418 spectrum 2 weight 0.11000E+01 volume 0.22085E-02 ppm1 3.926 ppm2 4.409 CV 1
ASSI { 419}
(( segid "FecA" and resid 70 and name HB ))
(( segid "FecA" and resid 70 and name HA ))
2.400 0.700 0.700 peak 419 spectrum 2 weight 0.11000E+01 volume 0.56408E-02 ppm1 4.156 ppm2 5.185 CV 1
ASSI { 420}
( segid "FecA" and resid 70 and name HG2%)
(( segid "FecA" and resid 70 and name HA ))
3.600 1.600 1.600 peak 420 spectrum 2 weight 0.11000E+01 volume 0.13532E-02 ppm1 1.205 ppm2 5.185 CV 1
ASSI { 421}
( segid "FecA" and resid 25 and name HD2%)
(( segid "FecA" and resid 70 and name HA ))
3.400 1.500 1.500 peak 421 spectrum 2 weight 0.11000E+01 volume 0.15803E-02 ppm1 0.912 ppm2 5.184 CV 1
ASSI { 422}
( segid "FecA" and resid 71 and name HD2%)
(( segid "FecA" and resid 70 and name HA ))
4.000 4.000 2.000 peak 422 spectrum 2 weight 0.11000E+01 volume 0.14976E-03 ppm1 0.796 ppm2 5.185 CV 1
ASSI { 423}
( segid "FecA" and resid 54 and name HD1%)
(( segid "FecA" and resid 51 and name HA ))
3.400 1.400 1.400 peak 423 spectrum 2 weight 0.11000E+01 volume 0.13472E-02 ppm1 0.652 ppm2 3.809 CV 1
ASSI { 424}
(( segid "FecA" and resid 54 and name HB2 ))
(( segid "FecA" and resid 51 and name HA ))
2.800 1.000 1.000 peak 424 spectrum 2 weight 0.11000E+01 volume 0.20377E-02 ppm1 1.834 ppm2 3.810 CV 1
ASSI { 427}
(( segid "FecA" and resid 51 and name HG1 ))
(( segid "FecA" and resid 51 and name HA ))
3.200 1.300 1.300 peak 427 spectrum 2 weight 0.11000E+01 volume 0.12273E-02 ppm1 2.414 ppm2 3.811 CV 1
ASSI { 428}
(( segid "FecA" and resid 51 and name HG2 ))
(( segid "FecA" and resid 51 and name HA ))
5.500 3.800 0.500 peak 428 spectrum 2 weight 0.11000E+01 volume 0.10019E-03 ppm1 2.514 ppm2 3.812 CV 1
ASSI { 431}
(( segid "FecA" and resid 5 and name HG12))
(( segid "FecA" and resid 5 and name HA ))
2.800 1.000 1.000 peak 431 spectrum 2 weight 0.11000E+01 volume 0.28981E-02 ppm1 1.192 ppm2 4.214 CV 1
OR { 431}
(( segid "FecA" and resid 5 and name HG11))
(( segid "FecA" and resid 5 and name HA ))
ASSI { 432}
(( segid "FecA" and resid 5 and name HB ))
(( segid "FecA" and resid 5 and name HA ))
3.100 1.200 1.200 peak 432 spectrum 2 weight 0.11000E+01 volume 0.14888E-02 ppm1 1.604 ppm2 4.209 CV 1
ASSI { 433}
( segid "FecA" and resid 19 and name HB% )
(( segid "FecA" and resid 16 and name HA ))
2.900 1.100 1.100 peak 433 spectrum 2 weight 0.11000E+01 volume 0.28133E-02 ppm1 1.467 ppm2 4.118 CV 1
ASSI { 434}
(( segid "FecA" and resid 16 and name HB1 ))
(( segid "FecA" and resid 16 and name HA ))
3.000 1.100 1.100 peak 434 spectrum 2 weight 0.11000E+01 volume 0.30431E-02 ppm1 2.059 ppm2 4.113 CV 1
ASSI { 435}
(( segid "FecA" and resid 16 and name HB2 ))
(( segid "FecA" and resid 16 and name HA ))
2.500 0.800 0.800 peak 435 spectrum 2 weight 0.11000E+01 volume 0.50579E-02 ppm1 2.364 ppm2 4.117 CV 1
ASSI { 438}
(( segid "FecA" and resid 12 and name HB2 ))
(( segid "FecA" and resid 12 and name HA ))
2.600 0.800 0.800 peak 438 spectrum 2 weight 0.11000E+01 volume 0.36601E-02 ppm1 1.904 ppm2 4.054 CV 1
ASSI { 440}
(( segid "FecA" and resid 12 and name HD1 ))
(( segid "FecA" and resid 12 and name HA ))
4.700 2.800 1.300 peak 440 spectrum 2 weight 0.11000E+01 volume 0.28721E-03 ppm1 1.729 ppm2 4.052 CV 1
OR { 440}
(( segid "FecA" and resid 12 and name HD2 ))
(( segid "FecA" and resid 12 and name HA ))
ASSI { 443}
(( segid "FecA" and resid 38 and name HA ))
(( segid "FecA" and resid 7 and name HB2 ))
3.000 1.100 1.100 peak 443 spectrum 2 weight 0.11000E+01 volume 0.31610E-02 ppm1 4.915 ppm2 2.347 CV 1
ASSI { 445}
(( segid "FecA" and resid 7 and name HB1 ))
(( segid "FecA" and resid 7 and name HB2 ))
1.700 0.300 0.500 peak 445 spectrum 2 weight 0.11000E+01 volume 0.19823E-01 ppm1 1.921 ppm2 2.339 CV 1
ASSI { 447}
(( segid "FecA" and resid 7 and name HD1 ))
(( segid "FecA" and resid 7 and name HB1 ))
4.700 2.700 1.300 peak 447 spectrum 2 weight 0.11000E+01 volume 0.27281E-03 ppm1 3.639 ppm2 1.932 CV 1
ASSI { 448}
(( segid "FecA" and resid 7 and name HD2 ))
(( segid "FecA" and resid 7 and name HB1 ))
5.300 3.500 0.700 peak 448 spectrum 2 weight 0.11000E+01 volume 0.23755E-03 ppm1 3.803 ppm2 1.934 CV 1
ASSI { 450}
(( segid "FecA" and resid 38 and name HA ))
(( segid "FecA" and resid 7 and name HB1 ))
4.700 2.800 1.300 peak 450 spectrum 2 weight 0.11000E+01 volume 0.14047E-03 ppm1 4.913 ppm2 1.926 CV 1
ASSI { 452}
(( segid "FecA" and resid 76 and name HA ))
(( segid "FecA" and resid 77 and name HB1 ))
3.900 1.900 1.900 peak 452 spectrum 2 weight 0.11000E+01 volume 0.16114E-02 ppm1 4.627 ppm2 1.886 CV 1
ASSI { 453}
(( segid "FecA" and resid 75 and name HB2 ))
(( segid "FecA" and resid 75 and name HB1 ))
2.300 0.600 0.600 peak 453 spectrum 2 weight 0.11000E+01 volume 0.29968E-02 ppm1 2.175 ppm2 2.379 CV 1
ASSI { 455}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 12 and name HB2 ))
2.400 0.700 0.700 peak 455 spectrum 2 weight 0.11000E+01 volume 0.74970E-02 ppm1 4.046 ppm2 1.882 CV 1
OR { 455}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 12 and name HB1 ))
ASSI { 456}
(( segid "FecA" and resid 77 and name HB2 ))
(( segid "FecA" and resid 77 and name HB1 ))
1.600 0.300 0.600 peak 456 spectrum 2 weight 0.11000E+01 volume 0.20104E-01 ppm1 2.284 ppm2 1.899 CV 1
ASSI { 457}
(( segid "FecA" and resid 75 and name HB1 ))
(( segid "FecA" and resid 77 and name HB1 ))
2.800 2.800 3.200 peak 457 spectrum 2 weight 0.11000E+01 volume 0.15900E-01 ppm1 2.377 ppm2 1.890 CV 1
ASSI { 458}
(( segid "FecA" and resid 12 and name HG1 ))
(( segid "FecA" and resid 12 and name HB2 ))
2.700 0.900 0.900 peak 458 spectrum 2 weight 0.11000E+01 volume 0.35156E-02 ppm1 1.388 ppm2 1.887 CV 1
OR { 458}
(( segid "FecA" and resid 12 and name HG1 ))
(( segid "FecA" and resid 12 and name HB1 ))
ASSI { 459}
(( segid "FecA" and resid 12 and name HG2 ))
(( segid "FecA" and resid 12 and name HB1 ))
2.600 0.900 0.900 peak 459 spectrum 2 weight 0.11000E+01 volume 0.35326E-02 ppm1 1.523 ppm2 1.877 CV 1
OR { 459}
(( segid "FecA" and resid 12 and name HG2 ))
(( segid "FecA" and resid 12 and name HB2 ))
ASSI { 460}
(( segid "FecA" and resid 12 and name HD1 ))
(( segid "FecA" and resid 12 and name HB2 ))
2.400 0.700 0.700 peak 460 spectrum 2 weight 0.11000E+01 volume 0.10494E-01 ppm1 1.733 ppm2 1.859 CV 1
OR { 460}
(( segid "FecA" and resid 12 and name HD2 ))
(( segid "FecA" and resid 12 and name HB2 ))
OR { 460}
(( segid "FecA" and resid 12 and name HD1 ))
(( segid "FecA" and resid 12 and name HB1 ))
OR { 460}
(( segid "FecA" and resid 12 and name HD2 ))
(( segid "FecA" and resid 12 and name HB1 ))
ASSI { 461}
(( segid "FecA" and resid 73 and name HB2 ))
(( segid "FecA" and resid 73 and name HB1 ))
1.500 0.300 0.700 peak 461 spectrum 2 weight 0.11000E+01 volume 0.37557E-01 ppm1 2.023 ppm2 2.272 CV 1
ASSI { 462}
(( segid "FecA" and resid 73 and name HG1 ))
(( segid "FecA" and resid 73 and name HB1 ))
1.800 1.800 4.200 peak 462 spectrum 2 weight 0.11000E+01 volume 0.26459E-01 ppm1 1.898 ppm2 2.287 CV 1
ASSI { 464}
(( segid "FecA" and resid 72 and name HA ))
(( segid "FecA" and resid 72 and name HB2 ))
2.500 0.800 0.800 peak 464 spectrum 2 weight 0.11000E+01 volume 0.38663E-02 ppm1 4.963 ppm2 1.992 CV 1
ASSI { 467}
(( segid "FecA" and resid 62 and name HG1 ))
(( segid "FecA" and resid 60 and name HB1 ))
4.100 2.100 1.900 peak 467 spectrum 2 weight 0.11000E+01 volume 0.35238E-03 ppm1 1.183 ppm2 2.028 CV 1
ASSI { 471}
(( segid "FecA" and resid 75 and name HD2 ))
(( segid "FecA" and resid 77 and name HB1 ))
2.300 0.700 0.700 peak 471 spectrum 2 weight 0.11000E+01 volume 0.54308E-02 ppm1 3.750 ppm2 1.905 CV 1
ASSI { 475}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 46 and name HB ))
2.300 0.700 0.700 peak 475 spectrum 2 weight 0.11000E+01 volume 0.61896E-02 ppm1 0.864 ppm2 1.640 CV 1
ASSI { 480}
(( segid "FecA" and resid 37 and name HB2 ))
(( segid "FecA" and resid 10 and name HA ))
2.500 0.800 0.800 peak 480 spectrum 2 weight 0.11000E+01 volume 0.50689E-02 ppm1 3.765 ppm2 3.991 CV 1
ASSI { 482}
(( segid "FecA" and resid 10 and name HB2 ))
(( segid "FecA" and resid 10 and name HA ))
2.700 0.900 0.900 peak 482 spectrum 2 weight 0.11000E+01 volume 0.20437E-02 ppm1 1.724 ppm2 3.991 CV 1
ASSI { 483}
(( segid "FecA" and resid 10 and name HG ))
(( segid "FecA" and resid 10 and name HA ))
4.100 2.100 1.900 peak 483 spectrum 2 weight 0.11000E+01 volume 0.28149E-03 ppm1 1.499 ppm2 3.992 CV 1
ASSI { 485}
(( segid "FecA" and resid 10 and name HB1 ))
(( segid "FecA" and resid 10 and name HA ))
2.800 1.000 1.000 peak 485 spectrum 2 weight 0.11000E+01 volume 0.36743E-02 ppm1 1.096 ppm2 3.987 CV 1
ASSI { 486}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 10 and name HA ))
2.400 0.700 0.700 peak 486 spectrum 2 weight 0.11000E+01 volume 0.63047E-02 ppm1 0.917 ppm2 3.986 CV 1
ASSI { 487}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 10 and name HA ))
4.000 2.000 2.000 peak 487 spectrum 2 weight 0.11000E+01 volume 0.11416E-02 ppm1 0.840 ppm2 3.988 CV 1
ASSI { 490}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 11 and name HA ))
3.600 3.600 2.400 peak 490 spectrum 2 weight 0.11000E+01 volume 0.13426E-02 ppm1 0.840 ppm2 4.089 CV 1
ASSI { 491}
( segid "FecA" and resid 14 and name HD1%)
(( segid "FecA" and resid 11 and name HA ))
3.000 3.000 3.000 peak 491 spectrum 2 weight 0.11000E+01 volume 0.21569E-02 ppm1 0.759 ppm2 4.090 CV 1
ASSI { 492}
( segid "FecA" and resid 53 and name HD1%)
(( segid "FecA" and resid 14 and name HA ))
3.200 1.300 1.300 peak 492 spectrum 2 weight 0.11000E+01 volume 0.17504E-02 ppm1 0.455 ppm2 3.896 CV 1
ASSI { 493}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 14 and name HA ))
3.600 3.600 2.400 peak 493 spectrum 2 weight 0.11000E+01 volume 0.28105E-03 ppm1 0.537 ppm2 3.916 CV 1
ASSI { 494}
( segid "FecA" and resid 14 and name HD1%)
(( segid "FecA" and resid 14 and name HA ))
3.100 3.100 2.900 peak 494 spectrum 2 weight 0.11000E+01 volume 0.78845E-02 ppm1 0.742 ppm2 3.902 CV 1
ASSI { 495}
(( segid "FecA" and resid 14 and name HB1 ))
(( segid "FecA" and resid 14 and name HA ))
2.500 0.800 0.800 peak 495 spectrum 2 weight 0.11000E+01 volume 0.37823E-02 ppm1 1.320 ppm2 3.902 CV 1
ASSI { 496}
(( segid "FecA" and resid 14 and name HG ))
(( segid "FecA" and resid 14 and name HA ))
3.100 1.200 1.200 peak 496 spectrum 2 weight 0.11000E+01 volume 0.16586E-02 ppm1 1.839 ppm2 3.905 CV 1
ASSI { 497}
(( segid "FecA" and resid 14 and name HB2 ))
(( segid "FecA" and resid 14 and name HA ))
3.400 1.400 1.400 peak 497 spectrum 2 weight 0.11000E+01 volume 0.14941E-02 ppm1 1.989 ppm2 3.898 CV 1
ASSI { 498}
(( segid "FecA" and resid 17 and name HB1 ))
(( segid "FecA" and resid 14 and name HA ))
3.900 1.900 1.900 peak 498 spectrum 2 weight 0.11000E+01 volume 0.42092E-03 ppm1 2.998 ppm2 3.894 CV 1
ASSI { 499}
(( segid "FecA" and resid 17 and name HB2 ))
(( segid "FecA" and resid 14 and name HA ))
4.300 2.300 1.700 peak 499 spectrum 2 weight 0.11000E+01 volume 0.14281E-03 ppm1 3.091 ppm2 3.896 CV 1
ASSI { 500}
(( segid "FecA" and resid 53 and name HB2 ))
(( segid "FecA" and resid 50 and name HA ))
2.500 0.800 0.800 peak 500 spectrum 2 weight 0.11000E+01 volume 0.29091E-02 ppm1 1.811 ppm2 3.716 CV 1
ASSI { 501}
(( segid "FecA" and resid 50 and name HB2 ))
(( segid "FecA" and resid 50 and name HA ))
3.200 1.300 1.300 peak 501 spectrum 2 weight 0.11000E+01 volume 0.16684E-02 ppm1 1.673 ppm2 3.704 CV 1
ASSI { 502}
(( segid "FecA" and resid 50 and name HG ))
(( segid "FecA" and resid 50 and name HA ))
3.000 1.100 1.100 peak 502 spectrum 2 weight 0.11000E+01 volume 0.17613E-02 ppm1 1.401 ppm2 3.710 CV 1
ASSI { 503}
(( segid "FecA" and resid 50 and name HB1 ))
(( segid "FecA" and resid 50 and name HA ))
2.600 0.800 0.800 peak 503 spectrum 2 weight 0.11000E+01 volume 0.25337E-02 ppm1 0.952 ppm2 3.715 CV 1
ASSI { 504}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 50 and name HA ))
2.500 2.500 3.500 peak 504 spectrum 2 weight 0.11000E+01 volume 0.59060E-02 ppm1 0.648 ppm2 3.711 CV 1
ASSI { 505}
( segid "FecA" and resid 53 and name HD1%)
(( segid "FecA" and resid 50 and name HA ))
2.900 1.000 1.000 peak 505 spectrum 2 weight 0.11000E+01 volume 0.18234E-02 ppm1 0.455 ppm2 3.713 CV 1
ASSI { 506}
(( segid "FecA" and resid 33 and name HB2 ))
(( segid "FecA" and resid 33 and name HA ))
2.300 0.700 0.700 peak 506 spectrum 2 weight 0.11000E+01 volume 0.63141E-02 ppm1 1.979 ppm2 4.150 CV 1
ASSI { 507}
(( segid "FecA" and resid 33 and name HB1 ))
(( segid "FecA" and resid 33 and name HA ))
2.900 1.100 1.100 peak 507 spectrum 2 weight 0.11000E+01 volume 0.30430E-02 ppm1 1.787 ppm2 4.155 CV 1
ASSI { 508}
(( segid "FecA" and resid 33 and name HG2 ))
(( segid "FecA" and resid 33 and name HA ))
3.100 1.200 1.200 peak 508 spectrum 2 weight 0.11000E+01 volume 0.22904E-02 ppm1 1.706 ppm2 4.152 CV 1
ASSI { 509}
(( segid "FecA" and resid 33 and name HG1 ))
(( segid "FecA" and resid 33 and name HA ))
4.100 2.100 1.900 peak 509 spectrum 2 weight 0.11000E+01 volume 0.27856E-03 ppm1 1.614 ppm2 4.154 CV 1
ASSI { 510}
(( segid "FecA" and resid 52 and name HB1 ))
(( segid "FecA" and resid 52 and name HA ))
2.700 0.900 0.900 peak 510 spectrum 2 weight 0.11000E+01 volume 0.32305E-02 ppm1 1.771 ppm2 4.043 CV 1
ASSI { 511}
(( segid "FecA" and resid 52 and name HB2 ))
(( segid "FecA" and resid 52 and name HA ))
2.600 0.900 0.900 peak 511 spectrum 2 weight 0.11000E+01 volume 0.44178E-02 ppm1 1.982 ppm2 4.058 CV 1
ASSI { 512}
(( segid "FecA" and resid 55 and name HB2 ))
(( segid "FecA" and resid 52 and name HA ))
3.100 1.200 1.200 peak 512 spectrum 2 weight 0.11000E+01 volume 0.13372E-02 ppm1 2.880 ppm2 4.052 CV 1
ASSI { 514}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 53 and name HA ))
2.300 0.700 0.700 peak 514 spectrum 2 weight 0.11000E+01 volume 0.55358E-02 ppm1 0.540 ppm2 3.796 CV 1
ASSI { 515}
(( segid "FecA" and resid 53 and name HB1 ))
(( segid "FecA" and resid 53 and name HA ))
2.500 0.800 0.800 peak 515 spectrum 2 weight 0.11000E+01 volume 0.30521E-02 ppm1 1.117 ppm2 3.796 CV 1
ASSI { 516}
(( segid "FecA" and resid 53 and name HG ))
(( segid "FecA" and resid 53 and name HA ))
3.100 1.200 1.200 peak 516 spectrum 2 weight 0.11000E+01 volume 0.16061E-02 ppm1 1.384 ppm2 3.797 CV 1
ASSI { 519}
(( segid "FecA" and resid 69 and name HB2 ))
(( segid "FecA" and resid 69 and name HA ))
3.000 1.100 1.100 peak 519 spectrum 2 weight 0.11000E+01 volume 0.26401E-02 ppm1 3.070 ppm2 5.077 CV 1
ASSI { 520}
(( segid "FecA" and resid 69 and name HB1 ))
(( segid "FecA" and resid 69 and name HA ))
2.700 0.900 0.900 peak 520 spectrum 2 weight 0.11000E+01 volume 0.13528E-02 ppm1 2.812 ppm2 5.069 CV 1
ASSI { 521}
(( segid "FecA" and resid 64 and name HB1 ))
(( segid "FecA" and resid 69 and name HA ))
5.900 4.300 0.100 peak 521 spectrum 2 weight 0.11000E+01 volume 0.18475E-03 ppm1 1.369 ppm2 5.079 CV 1
ASSI { 522}
( segid "FecA" and resid 64 and name HD2%)
(( segid "FecA" and resid 69 and name HA ))
6.000 4.500 0.000 peak 522 spectrum 2 weight 0.11000E+01 volume 0.76056E-04 ppm1 0.797 ppm2 5.062 CV 1
ASSI { 524}
(( segid "FecA" and resid 44 and name HB2 ))
(( segid "FecA" and resid 44 and name HA ))
3.000 1.100 1.100 peak 524 spectrum 2 weight 0.11000E+01 volume 0.25775E-02 ppm1 3.203 ppm2 4.713 CV 1
ASSI { 525}
(( segid "FecA" and resid 55 and name HB1 ))
(( segid "FecA" and resid 55 and name HA ))
3.300 1.300 1.300 peak 525 spectrum 2 weight 0.11000E+01 volume 0.24411E-02 ppm1 2.773 ppm2 4.518 CV 1
ASSI { 527}
(( segid "FecA" and resid 41 and name HA ))
(( segid "FecA" and resid 41 and name HB1 ))
2.900 1.000 1.000 peak 527 spectrum 2 weight 0.11000E+01 volume 0.25353E-02 ppm1 5.465 ppm2 3.109 CV 1
ASSI { 528}
(( segid "FecA" and resid 41 and name HA ))
(( segid "FecA" and resid 41 and name HB2 ))
2.800 1.000 1.000 peak 528 spectrum 2 weight 0.11000E+01 volume 0.30906E-02 ppm1 5.467 ppm2 3.225 CV 1
ASSI { 530}
(( segid "FecA" and resid 68 and name HB2 ))
(( segid "FecA" and resid 68 and name HA ))
2.900 1.000 1.000 peak 530 spectrum 2 weight 0.11000E+01 volume 0.31264E-02 ppm1 3.639 ppm2 5.718 CV 1
ASSI { 531}
(( segid "FecA" and resid 43 and name HA ))
(( segid "FecA" and resid 2 and name HA ))
2.500 0.800 0.800 peak 531 spectrum 2 weight 0.11000E+01 volume 0.50824E-02 ppm1 4.959 ppm2 4.410 CV 1
ASSI { 532}
(( segid "FecA" and resid 2 and name HG1 ))
(( segid "FecA" and resid 2 and name HA ))
3.300 1.300 1.300 peak 532 spectrum 2 weight 0.11000E+01 volume 0.19769E-02 ppm1 2.305 ppm2 4.409 CV 1
ASSI { 533}
(( segid "FecA" and resid 2 and name HB1 ))
(( segid "FecA" and resid 2 and name HA ))
2.500 0.800 0.800 peak 533 spectrum 2 weight 0.11000E+01 volume 0.54397E-02 ppm1 1.996 ppm2 4.410 CV 1
OR { 533}
(( segid "FecA" and resid 2 and name HB2 ))
(( segid "FecA" and resid 2 and name HA ))
ASSI { 536}
( segid "FecA" and resid 18 and name HB% )
(( segid "FecA" and resid 15 and name HA ))
2.900 1.000 1.000 peak 536 spectrum 2 weight 0.11000E+01 volume 0.26429E-02 ppm1 1.019 ppm2 4.381 CV 1
ASSI { 537}
( segid "FecA" and resid 31 and name HD2%)
(( segid "FecA" and resid 31 and name HA ))
2.400 0.700 0.700 peak 537 spectrum 2 weight 0.11000E+01 volume 0.65389E-02 ppm1 0.860 ppm2 4.308 CV 1
ASSI { 538}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 31 and name HA ))
5.700 4.000 0.300 peak 538 spectrum 2 weight 0.11000E+01 volume 0.26676E-03 ppm1 0.980 ppm2 4.307 CV 1
ASSI { 540}
(( segid "FecA" and resid 31 and name HG ))
(( segid "FecA" and resid 31 and name HA ))
3.200 1.300 1.300 peak 540 spectrum 2 weight 0.11000E+01 volume 0.17854E-02 ppm1 1.741 ppm2 4.309 CV 1
ASSI { 541}
(( segid "FecA" and resid 31 and name HB2 ))
(( segid "FecA" and resid 31 and name HA ))
3.200 1.300 1.300 peak 541 spectrum 2 weight 0.11000E+01 volume 0.21581E-02 ppm1 1.955 ppm2 4.311 CV 1
ASSI { 547}
(( segid "FecA" and resid 33 and name HD1 ))
(( segid "FecA" and resid 33 and name HB2 ))
3.300 1.300 1.300 peak 547 spectrum 2 weight 0.11000E+01 volume 0.14779E-02 ppm1 3.228 ppm2 1.982 CV 1
OR { 547}
(( segid "FecA" and resid 33 and name HD2 ))
(( segid "FecA" and resid 33 and name HB2 ))
ASSI { 548}
(( segid "FecA" and resid 33 and name HB2 ))
(( segid "FecA" and resid 33 and name HB1 ))
1.800 0.400 0.400 peak 548 spectrum 2 weight 0.11000E+01 volume 0.12733E-01 ppm1 1.980 ppm2 1.797 CV 1
ASSI { 550}
(( segid "FecA" and resid 33 and name HG2 ))
(( segid "FecA" and resid 33 and name HB2 ))
2.500 0.800 0.800 peak 550 spectrum 2 weight 0.11000E+01 volume 0.91226E-02 ppm1 1.712 ppm2 1.977 CV 1
ASSI { 551}
(( segid "FecA" and resid 33 and name HG1 ))
(( segid "FecA" and resid 33 and name HB2 ))
2.700 0.900 0.900 peak 551 spectrum 2 weight 0.11000E+01 volume 0.24302E-02 ppm1 1.618 ppm2 1.977 CV 1
ASSI { 552}
(( segid "FecA" and resid 33 and name HG1 ))
(( segid "FecA" and resid 33 and name HB1 ))
2.500 0.800 0.800 peak 552 spectrum 2 weight 0.11000E+01 volume 0.80195E-02 ppm1 1.616 ppm2 1.785 CV 1
ASSI { 556}
(( segid "FecA" and resid 2 and name HG1 ))
(( segid "FecA" and resid 2 and name HB2 ))
2.200 0.600 0.600 peak 556 spectrum 2 weight 0.11000E+01 volume 0.13520E-01 ppm1 2.303 ppm2 2.012 CV 1
OR { 556}
(( segid "FecA" and resid 2 and name HG2 ))
(( segid "FecA" and resid 2 and name HB1 ))
OR { 556}
(( segid "FecA" and resid 2 and name HG1 ))
(( segid "FecA" and resid 2 and name HB1 ))
OR { 556}
(( segid "FecA" and resid 2 and name HG2 ))
(( segid "FecA" and resid 2 and name HB2 ))
ASSI { 557}
(( segid "FecA" and resid 32 and name HA ))
(( segid "FecA" and resid 35 and name HD1 ))
2.900 1.000 1.000 peak 557 spectrum 2 weight 0.11000E+01 volume 0.18061E-02 ppm1 4.082 ppm2 1.674 CV 1
ASSI { 558}
(( segid "FecA" and resid 35 and name HE1 ))
(( segid "FecA" and resid 35 and name HD2 ))
2.500 0.800 0.800 peak 558 spectrum 2 weight 0.11000E+01 volume 0.48188E-02 ppm1 3.154 ppm2 1.700 CV 1
OR { 558}
(( segid "FecA" and resid 35 and name HE2 ))
(( segid "FecA" and resid 35 and name HD2 ))
ASSI { 559}
( segid "FecA" and resid 32 and name HG2%)
(( segid "FecA" and resid 35 and name HD2 ))
3.400 3.400 2.600 peak 559 spectrum 2 weight 0.11000E+01 volume 0.23333E-02 ppm1 0.835 ppm2 1.695 CV 1
ASSI { 560}
( segid "FecA" and resid 59 and name HD1%)
(( segid "FecA" and resid 35 and name HD2 ))
3.500 3.500 2.500 peak 560 spectrum 2 weight 0.11000E+01 volume 0.31240E-03 ppm1 0.712 ppm2 1.688 CV 1
ASSI { 562}
(( segid "FecA" and resid 78 and name HA ))
(( segid "FecA" and resid 78 and name HD2 ))
5.300 5.300 0.700 peak 562 spectrum 2 weight 0.11000E+01 volume 0.14018E-03 ppm1 4.369 ppm2 1.698 CV 1
OR { 562}
(( segid "FecA" and resid 78 and name HA ))
(( segid "FecA" and resid 78 and name HD1 ))
ASSI { 563}
(( segid "FecA" and resid 77 and name HD2 ))
(( segid "FecA" and resid 78 and name HD2 ))
4.000 4.000 2.000 peak 563 spectrum 2 weight 0.11000E+01 volume 0.35581E-03 ppm1 3.787 ppm2 1.701 CV 1
OR { 563}
(( segid "FecA" and resid 77 and name HD2 ))
(( segid "FecA" and resid 78 and name HD1 ))
ASSI { 566}
(( segid "FecA" and resid 16 and name HG2 ))
(( segid "FecA" and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 566 spectrum 2 weight 0.11000E+01 volume 0.35463E-02 ppm1 2.672 ppm2 2.375 CV 1
ASSI { 568}
(( segid "FecA" and resid 16 and name HB2 ))
(( segid "FecA" and resid 16 and name HB1 ))
1.600 0.300 0.600 peak 568 spectrum 2 weight 0.11000E+01 volume 0.22085E-01 ppm1 2.362 ppm2 2.070 CV 1
ASSI { 572}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 37 and name HA ))
6.000 4.500 0.000 peak 572 spectrum 2 weight 0.11000E+01 volume 0.10354E-03 ppm1 0.919 ppm2 4.953 CV 1
ASSI { 573}
(( segid "FecA" and resid 35 and name HG1 ))
(( segid "FecA" and resid 35 and name HA ))
2.700 0.900 0.900 peak 573 spectrum 2 weight 0.11000E+01 volume 0.40994E-02 ppm1 1.403 ppm2 4.597 CV 1
ASSI { 574}
(( segid "FecA" and resid 35 and name HD1 ))
(( segid "FecA" and resid 35 and name HA ))
4.800 2.900 1.200 peak 574 spectrum 2 weight 0.11000E+01 volume 0.33319E-03 ppm1 1.661 ppm2 4.598 CV 1
ASSI { 575}
(( segid "FecA" and resid 35 and name HD2 ))
(( segid "FecA" and resid 35 and name HA ))
2.700 0.900 0.900 peak 575 spectrum 2 weight 0.11000E+01 volume 0.24700E-02 ppm1 1.721 ppm2 4.585 CV 1
ASSI { 580}
(( segid "FecA" and resid 16 and name HB1 ))
(( segid "FecA" and resid 13 and name HA ))
4.100 2.100 1.900 peak 580 spectrum 2 weight 0.11000E+01 volume 0.25253E-03 ppm1 2.061 ppm2 4.080 CV 1
ASSI { 581}
(( segid "FecA" and resid 16 and name HB2 ))
(( segid "FecA" and resid 13 and name HA ))
3.000 1.100 1.100 peak 581 spectrum 2 weight 0.11000E+01 volume 0.21942E-02 ppm1 2.363 ppm2 4.088 CV 1
ASSI { 582}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 40 and name HA ))
4.100 2.100 1.900 peak 582 spectrum 2 weight 0.11000E+01 volume 0.15295E-02 ppm1 -0.047 ppm2 4.311 CV 1
ASSI { 583}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 40 and name HA ))
2.500 0.800 0.800 peak 583 spectrum 2 weight 0.11000E+01 volume 0.42552E-02 ppm1 0.015 ppm2 4.312 CV 1
ASSI { 584}
(( segid "FecA" and resid 40 and name HG ))
(( segid "FecA" and resid 40 and name HA ))
2.900 1.000 1.000 peak 584 spectrum 2 weight 0.11000E+01 volume 0.29660E-02 ppm1 0.840 ppm2 4.311 CV 1
ASSI { 585}
(( segid "FecA" and resid 40 and name HB1 ))
(( segid "FecA" and resid 40 and name HA ))
2.900 1.100 1.100 peak 585 spectrum 2 weight 0.11000E+01 volume 0.32109E-02 ppm1 0.891 ppm2 4.313 CV 1
ASSI { 586}
(( segid "FecA" and resid 40 and name HB2 ))
(( segid "FecA" and resid 40 and name HA ))
2.700 0.900 0.900 peak 586 spectrum 2 weight 0.11000E+01 volume 0.17656E-02 ppm1 1.107 ppm2 4.314 CV 1
ASSI { 587}
(( segid "FecA" and resid 5 and name HB ))
(( segid "FecA" and resid 40 and name HA ))
5.300 3.500 0.700 peak 587 spectrum 2 weight 0.11000E+01 volume 0.19918E-03 ppm1 1.592 ppm2 4.314 CV 1
ASSI { 592}
( segid "FecA" and resid 54 and name HD1%)
(( segid "FecA" and resid 54 and name HA ))
4.800 2.900 1.200 peak 592 spectrum 2 weight 0.11000E+01 volume 0.14585E-03 ppm1 0.652 ppm2 4.159 CV 1
ASSI { 593}
( segid "FecA" and resid 54 and name HD2%)
(( segid "FecA" and resid 54 and name HA ))
2.500 0.800 0.800 peak 593 spectrum 2 weight 0.11000E+01 volume 0.72598E-02 ppm1 0.835 ppm2 4.164 CV 1
ASSI { 594}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 54 and name HA ))
3.400 3.400 2.600 peak 594 spectrum 2 weight 0.11000E+01 volume 0.10759E-02 ppm1 0.916 ppm2 4.160 CV 1
ASSI { 595}
(( segid "FecA" and resid 54 and name HB1 ))
(( segid "FecA" and resid 54 and name HA ))
2.700 0.900 0.900 peak 595 spectrum 2 weight 0.11000E+01 volume 0.31303E-02 ppm1 1.610 ppm2 4.165 CV 1
ASSI { 596}
(( segid "FecA" and resid 54 and name HG ))
(( segid "FecA" and resid 54 and name HA ))
3.000 1.100 1.100 peak 596 spectrum 2 weight 0.11000E+01 volume 0.23155E-02 ppm1 1.791 ppm2 4.161 CV 1
ASSI { 597}
(( segid "FecA" and resid 54 and name HB2 ))
(( segid "FecA" and resid 54 and name HA ))
3.000 1.100 1.100 peak 597 spectrum 2 weight 0.11000E+01 volume 0.27409E-02 ppm1 1.837 ppm2 4.157 CV 1
ASSI { 598}
(( segid "FecA" and resid 36 and name HB1 ))
(( segid "FecA" and resid 36 and name HA ))
3.000 1.100 1.100 peak 598 spectrum 2 weight 0.11000E+01 volume 0.15720E-02 ppm1 1.903 ppm2 4.754 CV 1
ASSI { 599}
(( segid "FecA" and resid 36 and name HB2 ))
(( segid "FecA" and resid 36 and name HA ))
2.700 0.900 0.900 peak 599 spectrum 2 weight 0.11000E+01 volume 0.29665E-02 ppm1 2.143 ppm2 4.754 CV 1
ASSI { 600}
(( segid "FecA" and resid 36 and name HG1 ))
(( segid "FecA" and resid 36 and name HA ))
4.300 2.300 1.700 peak 600 spectrum 2 weight 0.11000E+01 volume 0.28221E-03 ppm1 2.265 ppm2 4.755 CV 1
ASSI { 604}
(( segid "FecA" and resid 64 and name HB1 ))
(( segid "FecA" and resid 64 and name HA ))
2.800 1.000 1.000 peak 604 spectrum 2 weight 0.11000E+01 volume 0.34873E-02 ppm1 1.358 ppm2 4.446 CV 1
ASSI { 605}
(( segid "FecA" and resid 64 and name HB2 ))
(( segid "FecA" and resid 64 and name HA ))
2.600 0.800 0.800 peak 605 spectrum 2 weight 0.11000E+01 volume 0.41709E-02 ppm1 1.443 ppm2 4.452 CV 1
ASSI { 609}
(( segid "FecA" and resid 38 and name HB1 ))
(( segid "FecA" and resid 38 and name HA ))
3.000 1.100 1.100 peak 609 spectrum 2 weight 0.11000E+01 volume 0.15906E-02 ppm1 2.902 ppm2 4.918 CV 1
ASSI { 612}
(( segid "FecA" and resid 60 and name HB1 ))
(( segid "FecA" and resid 60 and name HA ))
2.200 0.600 0.600 peak 612 spectrum 2 weight 0.11000E+01 volume 0.92882E-02 ppm1 2.016 ppm2 4.901 CV 1
ASSI { 613}
(( segid "FecA" and resid 60 and name HB2 ))
(( segid "FecA" and resid 60 and name HA ))
2.600 0.800 0.800 peak 613 spectrum 2 weight 0.11000E+01 volume 0.46902E-02 ppm1 2.111 ppm2 4.882 CV 1
ASSI { 616}
(( segid "FecA" and resid 43 and name HB1 ))
(( segid "FecA" and resid 43 and name HA ))
2.700 0.900 0.900 peak 616 spectrum 2 weight 0.11000E+01 volume 0.42122E-02 ppm1 2.313 ppm2 4.955 CV 1
ASSI { 617}
(( segid "FecA" and resid 73 and name HD1 ))
(( segid "FecA" and resid 72 and name HA ))
2.000 0.500 0.500 peak 617 spectrum 2 weight 0.11000E+01 volume 0.11032E-01 ppm1 3.763 ppm2 4.967 CV 1
ASSI { 619}
(( segid "FecA" and resid 63 and name HD2 ))
(( segid "FecA" and resid 62 and name HA ))
2.200 0.600 0.600 peak 619 spectrum 2 weight 0.11000E+01 volume 0.87863E-02 ppm1 3.867 ppm2 5.085 CV 1
OR { 619}
(( segid "FecA" and resid 63 and name HD1 ))
(( segid "FecA" and resid 62 and name HA ))
ASSI { 624}
(( segid "FecA" and resid 1 and name HA ))
(( segid "FecA" and resid 43 and name HA ))
3.300 3.300 2.700 peak 624 spectrum 2 weight 0.11000E+01 volume 0.15084E-02 ppm1 4.484 ppm2 4.916 CV 1
ASSI { 626}
(( segid "FecA" and resid 59 and name HB1 ))
(( segid "FecA" and resid 59 and name HA ))
2.400 0.700 0.700 peak 626 spectrum 2 weight 0.11000E+01 volume 0.43815E-02 ppm1 1.183 ppm2 5.018 CV 1
ASSI { 627}
(( segid "FecA" and resid 59 and name HG ))
(( segid "FecA" and resid 59 and name HA ))
4.200 2.200 1.800 peak 627 spectrum 2 weight 0.11000E+01 volume 0.32493E-03 ppm1 1.531 ppm2 5.027 CV 1
ASSI { 629}
( segid "FecA" and resid 25 and name HD1%)
(( segid "FecA" and resid 25 and name HA ))
2.700 0.900 0.900 peak 629 spectrum 2 weight 0.11000E+01 volume 0.48444E-02 ppm1 0.913 ppm2 5.364 CV 1
ASSI { 630}
(( segid "FecA" and resid 25 and name HB1 ))
(( segid "FecA" and resid 25 and name HA ))
2.600 0.800 0.800 peak 630 spectrum 2 weight 0.11000E+01 volume 0.39754E-02 ppm1 1.529 ppm2 5.362 CV 1
ASSI { 631}
(( segid "FecA" and resid 25 and name HB2 ))
(( segid "FecA" and resid 25 and name HA ))
3.100 1.200 1.200 peak 631 spectrum 2 weight 0.11000E+01 volume 0.15260E-02 ppm1 1.748 ppm2 5.361 CV 1
ASSI { 632}
(( segid "FecA" and resid 69 and name HB1 ))
(( segid "FecA" and resid 25 and name HA ))
5.400 3.600 0.600 peak 632 spectrum 2 weight 0.11000E+01 volume 0.25560E-03 ppm1 2.811 ppm2 5.358 CV 1
ASSI { 633}
( segid "FecA" and resid 71 and name HD2%)
(( segid "FecA" and resid 71 and name HA ))
2.500 2.500 3.500 peak 633 spectrum 2 weight 0.11000E+01 volume 0.57328E-02 ppm1 0.863 ppm2 5.515 CV 1
ASSI { 634}
(( segid "FecA" and resid 71 and name HB1 ))
(( segid "FecA" and resid 71 and name HA ))
2.800 1.000 1.000 peak 634 spectrum 2 weight 0.11000E+01 volume 0.32982E-02 ppm1 1.418 ppm2 5.512 CV 1
ASSI { 635}
(( segid "FecA" and resid 71 and name HB2 ))
(( segid "FecA" and resid 71 and name HA ))
2.700 0.900 0.900 peak 635 spectrum 2 weight 0.11000E+01 volume 0.30120E-02 ppm1 1.696 ppm2 5.518 CV 1
ASSI { 637}
(( segid "FecA" and resid 41 and name HA ))
(( segid "FecA" and resid 4 and name HA ))
2.600 0.800 0.800 peak 637 spectrum 2 weight 0.11000E+01 volume 0.41278E-02 ppm1 5.466 ppm2 5.191 CV 1
ASSI { 641}
(( segid "FecA" and resid 23 and name HB1 ))
(( segid "FecA" and resid 23 and name HA ))
2.400 0.700 0.700 peak 641 spectrum 2 weight 0.11000E+01 volume 0.46908E-02 ppm1 3.020 ppm2 5.326 CV 1
ASSI { 642}
(( segid "FecA" and resid 23 and name HB2 ))
(( segid "FecA" and resid 23 and name HA ))
2.800 0.900 0.900 peak 642 spectrum 2 weight 0.11000E+01 volume 0.42489E-02 ppm1 3.443 ppm2 5.325 CV 1
ASSI { 645}
( segid "FecA" and resid 3 and name HG2%)
(( segid "FecA" and resid 41 and name HA ))
4.700 2.800 1.300 peak 645 spectrum 2 weight 0.11000E+01 volume 0.20466E-03 ppm1 0.846 ppm2 5.472 CV 1
ASSI { 651}
( segid "FecA" and resid 5 and name HG2%)
(( segid "FecA" and resid 16 and name HB1 ))
4.800 4.800 1.200 peak 651 spectrum 2 weight 0.11000E+01 volume 0.18484E-03 ppm1 0.971 ppm2 2.061 CV 1
ASSI { 653}
(( segid "FecA" and resid 48 and name HA ))
(( segid "FecA" and resid 51 and name HB2 ))
3.200 1.300 1.300 peak 653 spectrum 2 weight 0.11000E+01 volume 0.19611E-02 ppm1 4.278 ppm2 2.218 CV 1
ASSI { 654}
(( segid "FecA" and resid 48 and name HA ))
(( segid "FecA" and resid 51 and name HB1 ))
3.100 1.200 1.200 peak 654 spectrum 2 weight 0.11000E+01 volume 0.11108E-02 ppm1 4.279 ppm2 2.082 CV 1
ASSI { 655}
(( segid "FecA" and resid 51 and name HA ))
(( segid "FecA" and resid 51 and name HB2 ))
2.400 0.700 0.700 peak 655 spectrum 2 weight 0.11000E+01 volume 0.57151E-02 ppm1 3.808 ppm2 2.212 CV 1
ASSI { 656}
(( segid "FecA" and resid 51 and name HA ))
(( segid "FecA" and resid 51 and name HB1 ))
2.700 0.900 0.900 peak 656 spectrum 2 weight 0.11000E+01 volume 0.65876E-02 ppm1 3.811 ppm2 2.070 CV 1
ASSI { 657}
(( segid "FecA" and resid 51 and name HG2 ))
(( segid "FecA" and resid 51 and name HB2 ))
3.100 1.200 1.200 peak 657 spectrum 2 weight 0.11000E+01 volume 0.22691E-02 ppm1 2.514 ppm2 2.231 CV 1
ASSI { 658}
(( segid "FecA" and resid 51 and name HG2 ))
(( segid "FecA" and resid 51 and name HB1 ))
3.000 1.100 1.100 peak 658 spectrum 2 weight 0.11000E+01 volume 0.12604E-02 ppm1 2.511 ppm2 2.097 CV 1
ASSI { 659}
(( segid "FecA" and resid 51 and name HG1 ))
(( segid "FecA" and resid 51 and name HB1 ))
2.700 0.900 0.900 peak 659 spectrum 2 weight 0.11000E+01 volume 0.56316E-02 ppm1 2.406 ppm2 2.090 CV 1
ASSI { 664}
(( segid "FecA" and resid 52 and name HB2 ))
(( segid "FecA" and resid 52 and name HB1 ))
1.700 0.400 0.500 peak 664 spectrum 2 weight 0.11000E+01 volume 0.11756E-01 ppm1 1.977 ppm2 1.782 CV 1
ASSI { 667}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 52 and name HB1 ))
3.300 1.400 1.400 peak 667 spectrum 2 weight 0.11000E+01 volume 0.94673E-03 ppm1 -0.045 ppm2 1.784 CV 1
ASSI { 668}
( segid "FecA" and resid 40 and name HD1%)
(( segid "FecA" and resid 52 and name HB2 ))
3.500 1.500 1.500 peak 668 spectrum 2 weight 0.11000E+01 volume 0.14524E-02 ppm1 0.014 ppm2 1.979 CV 1
ASSI { 669}
(( segid "FecA" and resid 77 and name HA ))
(( segid "FecA" and resid 77 and name HG1 ))
3.400 1.400 1.400 peak 669 spectrum 2 weight 0.11000E+01 volume 0.36531E-02 ppm1 4.396 ppm2 2.035 CV 1
OR { 669}
(( segid "FecA" and resid 77 and name HA ))
(( segid "FecA" and resid 77 and name HG2 ))
ASSI { 670}
(( segid "FecA" and resid 77 and name HD2 ))
(( segid "FecA" and resid 77 and name HG2 ))
2.100 0.500 0.500 peak 670 spectrum 2 weight 0.11000E+01 volume 0.12858E-01 ppm1 3.807 ppm2 2.030 CV 1
OR { 670}
(( segid "FecA" and resid 77 and name HD2 ))
(( segid "FecA" and resid 77 and name HG1 ))
ASSI { 671}
(( segid "FecA" and resid 75 and name HD2 ))
(( segid "FecA" and resid 77 and name HG2 ))
2.000 0.500 0.500 peak 671 spectrum 2 weight 0.11000E+01 volume 0.11609E-01 ppm1 3.753 ppm2 2.024 CV 1
OR { 671}
(( segid "FecA" and resid 75 and name HD2 ))
(( segid "FecA" and resid 77 and name HG1 ))
ASSI { 672}
(( segid "FecA" and resid 77 and name HD1 ))
(( segid "FecA" and resid 77 and name HG1 ))
2.100 0.500 0.500 peak 672 spectrum 2 weight 0.11000E+01 volume 0.13237E-01 ppm1 3.649 ppm2 2.029 CV 1
OR { 672}
(( segid "FecA" and resid 77 and name HD1 ))
(( segid "FecA" and resid 77 and name HG2 ))
ASSI { 673}
(( segid "FecA" and resid 7 and name HD1 ))
(( segid "FecA" and resid 7 and name HG2 ))
2.400 2.400 3.600 peak 673 spectrum 2 weight 0.11000E+01 volume 0.57901E-02 ppm1 3.583 ppm2 2.027 CV 1
OR { 673}
(( segid "FecA" and resid 7 and name HD1 ))
(( segid "FecA" and resid 7 and name HG1 ))
ASSI { 674}
( segid "FecA" and resid 6 and name HB% )
(( segid "FecA" and resid 7 and name HG1 ))
4.600 2.600 1.400 peak 674 spectrum 2 weight 0.11000E+01 volume 0.14403E-02 ppm1 1.416 ppm2 2.027 CV 1
OR { 674}
( segid "FecA" and resid 6 and name HB% )
(( segid "FecA" and resid 7 and name HG2 ))
ASSI { 675}
(( segid "FecA" and resid 7 and name HA ))
(( segid "FecA" and resid 7 and name HG2 ))
3.900 1.900 1.900 peak 675 spectrum 2 weight 0.11000E+01 volume 0.12441E-02 ppm1 4.203 ppm2 2.013 CV 1
OR { 675}
(( segid "FecA" and resid 7 and name HA ))
(( segid "FecA" and resid 7 and name HG1 ))
ASSI { 676}
(( segid "FecA" and resid 6 and name HA ))
(( segid "FecA" and resid 7 and name HG2 ))
6.000 4.800 0.000 peak 676 spectrum 2 weight 0.11000E+01 volume 0.23400E-03 ppm1 4.519 ppm2 2.015 CV 1
ASSI { 677}
(( segid "FecA" and resid 38 and name HA ))
(( segid "FecA" and resid 7 and name HG1 ))
3.500 1.600 1.600 peak 677 spectrum 2 weight 0.11000E+01 volume 0.81745E-03 ppm1 4.914 ppm2 2.001 CV 1
ASSI { 680}
( segid "FecA" and resid 5 and name HG2%)
(( segid "FecA" and resid 5 and name HG12))
2.700 0.900 0.900 peak 680 spectrum 2 weight 0.11000E+01 volume 0.43357E-02 ppm1 0.971 ppm2 1.196 CV 1
OR { 680}
( segid "FecA" and resid 5 and name HG2%)
(( segid "FecA" and resid 5 and name HG11))
ASSI { 681}
( segid "FecA" and resid 3 and name HG2%)
(( segid "FecA" and resid 5 and name HG11))
2.800 2.800 3.200 peak 681 spectrum 2 weight 0.11000E+01 volume 0.45647E-02 ppm1 0.848 ppm2 1.184 CV 1
ASSI { 682}
( segid "FecA" and resid 5 and name HD1%)
(( segid "FecA" and resid 5 and name HG12))
2.300 0.700 0.700 peak 682 spectrum 2 weight 0.11000E+01 volume 0.69416E-02 ppm1 0.718 ppm2 1.193 CV 1
OR { 682}
( segid "FecA" and resid 5 and name HD1%)
(( segid "FecA" and resid 5 and name HG11))
OR { 682}
( segid "FecA" and resid 5 and name HD1%)
(( segid "FecA" and resid 5 and name HG11))
ASSI { 684}
(( segid "FecA" and resid 33 and name HD2 ))
(( segid "FecA" and resid 33 and name HG2 ))
2.600 0.800 0.800 peak 684 spectrum 2 weight 0.11000E+01 volume 0.39942E-02 ppm1 3.230 ppm2 1.705 CV 1
OR { 684}
(( segid "FecA" and resid 33 and name HD1 ))
(( segid "FecA" and resid 33 and name HG2 ))
ASSI { 685}
( segid "FecA" and resid 14 and name HD1%)
(( segid "FecA" and resid 14 and name HG ))
2.300 0.600 0.600 peak 685 spectrum 2 weight 0.11000E+01 volume 0.74424E-02 ppm1 0.750 ppm2 1.844 CV 1
ASSI { 686}
( segid "FecA" and resid 10 and name HD1%)
(( segid "FecA" and resid 14 and name HG ))
2.900 1.000 1.000 peak 686 spectrum 2 weight 0.11000E+01 volume 0.25182E-02 ppm1 0.918 ppm2 1.840 CV 1
ASSI { 688}
( segid "FecA" and resid 54 and name HD1%)
(( segid "FecA" and resid 54 and name HG ))
2.600 0.900 0.900 peak 688 spectrum 2 weight 0.11000E+01 volume 0.38522E-02 ppm1 0.652 ppm2 1.791 CV 1
ASSI { 690}
( segid "FecA" and resid 31 and name HD1%)
(( segid "FecA" and resid 31 and name HG ))
2.700 0.900 0.900 peak 690 spectrum 2 weight 0.11000E+01 volume 0.30535E-02 ppm1 0.981 ppm2 1.737 CV 1
ASSI { 695}
(( segid "FecA" and resid 25 and name HA ))
(( segid "FecA" and resid 25 and name HG ))
3.800 1.800 1.800 peak 695 spectrum 2 weight 0.11000E+01 volume 0.72117E-03 ppm1 5.359 ppm2 1.529 CV 1
ASSI { 696}
( segid "FecA" and resid 25 and name HD2%)
(( segid "FecA" and resid 25 and name HG ))
2.200 0.600 0.600 peak 696 spectrum 2 weight 0.11000E+01 volume 0.84475E-02 ppm1 0.918 ppm2 1.528 CV 1
ASSI { 697}
( segid "FecA" and resid 10 and name HD2%)
(( segid "FecA" and resid 10 and name HG ))
2.500 0.800 0.800 peak 697 spectrum 2 weight 0.11000E+01 volume 0.54398E-02 ppm1 0.838 ppm2 1.506 CV 1
ASSI { 698}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 50 and name HG ))
2.500 0.800 0.800 peak 698 spectrum 2 weight 0.11000E+01 volume 0.44070E-02 ppm1 0.650 ppm2 1.408 CV 1
ASSI { 702}
( segid "FecA" and resid 53 and name HD2%)
(( segid "FecA" and resid 53 and name HG ))
2.600 0.900 0.900 peak 702 spectrum 2 weight 0.11000E+01 volume 0.24117E-02 ppm1 0.542 ppm2 1.382 CV 1
ASSI { 703}
(( segid "FecA" and resid 40 and name HG ))
(( segid "FecA" and resid 53 and name HG ))
3.200 3.200 2.800 peak 703 spectrum 2 weight 0.11000E+01 volume 0.86559E-02 ppm1 0.795 ppm2 1.369 CV 1
ASSI { 707}
( segid "FecA" and resid 46 and name HG1%)
(( segid "FecA" and resid 50 and name HG ))
4.800 2.800 1.200 peak 707 spectrum 2 weight 0.11000E+01 volume 0.16756E-03 ppm1 -0.386 ppm2 1.421 CV 1
ASSI { 708}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 53 and name HG ))
2.900 1.100 1.100 peak 708 spectrum 2 weight 0.11000E+01 volume 0.11145E-02 ppm1 -0.047 ppm2 1.393 CV 1
ASSI { 712}
(( segid "FecA" and resid 10 and name HG ))
( segid "FecA" and resid 14 and name HD1%)
2.900 2.900 3.100 peak 712 spectrum 2 weight 0.11000E+01 volume 0.26972E-02 ppm1 1.505 ppm2 0.768 CV 1
ASSI { 715}
(( segid "FecA" and resid 71 and name HB2 ))
( segid "FecA" and resid 71 and name HD1%)
2.300 2.300 3.700 peak 715 spectrum 2 weight 0.11000E+01 volume 0.10792E-01 ppm1 1.696 ppm2 0.842 CV 1
ASSI { 716}
(( segid "FecA" and resid 71 and name HB1 ))
( segid "FecA" and resid 71 and name HD1%)
2.900 1.100 1.100 peak 716 spectrum 2 weight 0.11000E+01 volume 0.26858E-02 ppm1 1.419 ppm2 0.840 CV 1
ASSI { 717}
(( segid "FecA" and resid 40 and name HB2 ))
(( segid "FecA" and resid 40 and name HG ))
2.900 1.100 1.100 peak 717 spectrum 2 weight 0.11000E+01 volume 0.31129E-02 ppm1 1.107 ppm2 0.842 CV 1
ASSI { 721}
(( segid "FecA" and resid 14 and name HB1 ))
( segid "FecA" and resid 25 and name HD2%)
4.700 2.800 1.300 peak 721 spectrum 2 weight 0.11000E+01 volume 0.21386E-03 ppm1 1.320 ppm2 0.922 CV 1
ASSI { 723}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 25 and name HD2%)
5.100 5.100 0.900 peak 723 spectrum 2 weight 0.11000E+01 volume 0.15646E-03 ppm1 -0.222 ppm2 0.918 CV 1
ASSI { 724}
(( segid "FecA" and resid 54 and name HB1 ))
( segid "FecA" and resid 54 and name HD1%)
3.300 1.400 1.400 peak 724 spectrum 2 weight 0.11000E+01 volume 0.14222E-02 ppm1 1.610 ppm2 0.659 CV 1
ASSI { 725}
(( segid "FecA" and resid 54 and name HB2 ))
( segid "FecA" and resid 54 and name HD1%)
2.500 0.800 0.800 peak 725 spectrum 2 weight 0.11000E+01 volume 0.70802E-02 ppm1 1.814 ppm2 0.655 CV 1
ASSI { 728}
(( segid "FecA" and resid 60 and name HA ))
( segid "FecA" and resid 54 and name HD1%)
3.200 1.300 1.300 peak 728 spectrum 2 weight 0.11000E+01 volume 0.15097E-02 ppm1 4.882 ppm2 0.658 CV 1
ASSI { 729}
(( segid "FecA" and resid 25 and name HA ))
( segid "FecA" and resid 25 and name HD2%)
3.100 1.200 1.200 peak 729 spectrum 2 weight 0.11000E+01 volume 0.11587E-02 ppm1 5.360 ppm2 0.920 CV 1
ASSI { 730}
(( segid "FecA" and resid 42 and name HA1 ))
(( segid "FecA" and resid 40 and name HG ))
4.100 2.100 1.900 peak 730 spectrum 2 weight 0.11000E+01 volume 0.39843E-03 ppm1 3.781 ppm2 0.837 CV 1
ASSI { 731}
(( segid "FecA" and resid 54 and name HA ))
( segid "FecA" and resid 10 and name HD2%)
2.800 2.800 3.200 peak 731 spectrum 2 weight 0.11000E+01 volume 0.31603E-02 ppm1 4.143 ppm2 0.834 CV 1
ASSI { 733}
(( segid "FecA" and resid 35 and name HA ))
(( segid "FecA" and resid 35 and name HG2 ))
2.800 1.000 1.000 peak 733 spectrum 2 weight 0.11000E+01 volume 0.37697E-02 ppm1 4.592 ppm2 1.408 CV 1
OR { 733}
(( segid "FecA" and resid 35 and name HA ))
(( segid "FecA" and resid 35 and name HG1 ))
ASSI { 734}
(( segid "FecA" and resid 32 and name HA ))
(( segid "FecA" and resid 35 and name HG1 ))
3.700 1.700 1.700 peak 734 spectrum 2 weight 0.11000E+01 volume 0.11885E-02 ppm1 4.087 ppm2 1.393 CV 1
OR { 734}
(( segid "FecA" and resid 32 and name HA ))
(( segid "FecA" and resid 35 and name HG2 ))
ASSI { 736}
(( segid "FecA" and resid 35 and name HB2 ))
(( segid "FecA" and resid 35 and name HG1 ))
2.700 0.900 0.900 peak 736 spectrum 2 weight 0.11000E+01 volume 0.32322E-02 ppm1 1.931 ppm2 1.410 CV 1
OR { 736}
(( segid "FecA" and resid 35 and name HB2 ))
(( segid "FecA" and resid 35 and name HG2 ))
ASSI { 737}
(( segid "FecA" and resid 35 and name HB1 ))
(( segid "FecA" and resid 35 and name HG1 ))
2.500 0.800 0.800 peak 737 spectrum 2 weight 0.11000E+01 volume 0.44251E-02 ppm1 1.810 ppm2 1.411 CV 1
OR { 737}
(( segid "FecA" and resid 35 and name HB1 ))
(( segid "FecA" and resid 35 and name HG2 ))
ASSI { 738}
(( segid "FecA" and resid 35 and name HD1 ))
(( segid "FecA" and resid 35 and name HG1 ))
2.200 0.600 0.600 peak 738 spectrum 2 weight 0.11000E+01 volume 0.96769E-02 ppm1 1.660 ppm2 1.417 CV 1
OR { 738}
(( segid "FecA" and resid 35 and name HD2 ))
(( segid "FecA" and resid 35 and name HG2 ))
OR { 738}
(( segid "FecA" and resid 35 and name HD2 ))
(( segid "FecA" and resid 35 and name HG1 ))
OR { 738}
(( segid "FecA" and resid 35 and name HD1 ))
(( segid "FecA" and resid 35 and name HG2 ))
ASSI { 743}
(( segid "FecA" and resid 73 and name HD1 ))
( segid "FecA" and resid 31 and name HD1%)
3.500 1.600 1.600 peak 743 spectrum 2 weight 0.11000E+01 volume 0.30171E-03 ppm1 3.754 ppm2 0.985 CV 1
ASSI { 746}
(( segid "FecA" and resid 53 and name HG ))
( segid "FecA" and resid 53 and name HD1%)
2.400 0.700 0.700 peak 746 spectrum 2 weight 0.11000E+01 volume 0.40836E-02 ppm1 1.372 ppm2 0.460 CV 1
ASSI { 747}
(( segid "FecA" and resid 53 and name HB2 ))
( segid "FecA" and resid 53 and name HD1%)
2.700 0.900 0.900 peak 747 spectrum 2 weight 0.11000E+01 volume 0.26606E-02 ppm1 1.812 ppm2 0.460 CV 1
ASSI { 748}
(( segid "FecA" and resid 17 and name HB1 ))
( segid "FecA" and resid 53 and name HD1%)
4.400 2.500 1.600 peak 748 spectrum 2 weight 0.11000E+01 volume 0.38409E-03 ppm1 2.995 ppm2 0.460 CV 1
ASSI { 752}
(( segid "FecA" and resid 69 and name HH2 ))
( segid "FecA" and resid 53 and name HD1%)
3.000 3.000 3.000 peak 752 spectrum 2 weight 0.11000E+01 volume 0.87422E-03 ppm1 7.055 ppm2 0.461 CV 1
ASSI { 753}
( segid "FecA" and resid 40 and name HD1%)
( segid "FecA" and resid 53 and name HD1%)
6.000 6.000 0.000 peak 753 spectrum 2 weight 0.11000E+01 volume 0.12355E-03 ppm1 0.016 ppm2 0.450 CV 1
ASSI { 754}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 53 and name HD1%)
3.700 1.700 1.700 peak 754 spectrum 2 weight 0.11000E+01 volume 0.12373E-02 ppm1 -0.046 ppm2 0.454 CV 1
ASSI { 755}
(( segid "FecA" and resid 59 and name HB1 ))
( segid "FecA" and resid 59 and name HD1%)
3.000 1.100 1.100 peak 755 spectrum 2 weight 0.11000E+01 volume 0.26990E-02 ppm1 1.186 ppm2 0.716 CV 1
ASSI { 756}
(( segid "FecA" and resid 59 and name HG ))
( segid "FecA" and resid 59 and name HD1%)
2.500 0.800 0.800 peak 756 spectrum 2 weight 0.11000E+01 volume 0.54124E-02 ppm1 1.524 ppm2 0.721 CV 1
ASSI { 757}
(( segid "FecA" and resid 59 and name HB2 ))
( segid "FecA" and resid 59 and name HD1%)
2.700 0.900 0.900 peak 757 spectrum 2 weight 0.11000E+01 volume 0.32741E-02 ppm1 1.964 ppm2 0.712 CV 1
ASSI { 758}
(( segid "FecA" and resid 57 and name HB2 ))
( segid "FecA" and resid 59 and name HD1%)
3.700 3.700 2.300 peak 758 spectrum 2 weight 0.11000E+01 volume 0.71536E-03 ppm1 4.089 ppm2 0.715 CV 1
ASSI { 759}
(( segid "FecA" and resid 57 and name HB1 ))
( segid "FecA" and resid 59 and name HD1%)
5.100 3.200 0.900 peak 759 spectrum 2 weight 0.11000E+01 volume 0.21632E-03 ppm1 3.786 ppm2 0.721 CV 1
ASSI { 760}
(( segid "FecA" and resid 64 and name HB1 ))
( segid "FecA" and resid 64 and name HD1%)
2.400 2.400 3.600 peak 760 spectrum 2 weight 0.11000E+01 volume 0.73414E-02 ppm1 1.362 ppm2 0.805 CV 1
ASSI { 761}
(( segid "FecA" and resid 64 and name HB2 ))
( segid "FecA" and resid 64 and name HD1%)
2.800 2.800 3.200 peak 761 spectrum 2 weight 0.11000E+01 volume 0.62002E-02 ppm1 1.431 ppm2 0.827 CV 1
ASSI { 762}
( segid "FecA" and resid 70 and name HG2%)
( segid "FecA" and resid 64 and name HD1%)
2.600 2.600 3.400 peak 762 spectrum 2 weight 0.11000E+01 volume 0.17711E-02 ppm1 1.204 ppm2 0.806 CV 1
ASSI { 763}
(( segid "FecA" and resid 70 and name HB ))
( segid "FecA" and resid 64 and name HD1%)
3.000 3.000 3.000 peak 763 spectrum 2 weight 0.11000E+01 volume 0.31489E-02 ppm1 4.155 ppm2 0.807 CV 1
ASSI { 764}
(( segid "FecA" and resid 64 and name HA ))
( segid "FecA" and resid 64 and name HD1%)
4.500 2.500 1.500 peak 764 spectrum 2 weight 0.11000E+01 volume 0.25470E-03 ppm1 4.442 ppm2 0.792 CV 1
ASSI { 766}
(( segid "FecA" and resid 61 and name HA ))
( segid "FecA" and resid 71 and name HD2%)
3.000 3.000 3.000 peak 766 spectrum 2 weight 0.11000E+01 volume 0.34698E-02 ppm1 4.817 ppm2 0.869 CV 1
ASSI { 768}
( segid "FecA" and resid 54 and name HD1%)
( segid "FecA" and resid 71 and name HD2%)
2.700 2.700 3.300 peak 768 spectrum 2 weight 0.11000E+01 volume 0.57702E-02 ppm1 0.652 ppm2 0.866 CV 1
ASSI { 770}
(( segid "FecA" and resid 70 and name HA ))
( segid "FecA" and resid 25 and name HD1%)
2.800 2.800 3.200 peak 770 spectrum 2 weight 0.11000E+01 volume 0.11336E-02 ppm1 5.183 ppm2 0.910 CV 1
ASSI { 771}
(( segid "FecA" and resid 69 and name HB2 ))
( segid "FecA" and resid 25 and name HD1%)
4.500 2.600 1.500 peak 771 spectrum 2 weight 0.11000E+01 volume 0.25476E-03 ppm1 3.073 ppm2 0.907 CV 1
ASSI { 772}
(( segid "FecA" and resid 69 and name HB1 ))
( segid "FecA" and resid 25 and name HD1%)
4.400 2.400 1.600 peak 772 spectrum 2 weight 0.11000E+01 volume 0.13315E-02 ppm1 2.819 ppm2 0.912 CV 1
ASSI { 773}
(( segid "FecA" and resid 25 and name HG ))
( segid "FecA" and resid 25 and name HD1%)
2.500 0.800 0.800 peak 773 spectrum 2 weight 0.11000E+01 volume 0.49733E-02 ppm1 1.532 ppm2 0.911 CV 1
ASSI { 774}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 25 and name HD1%)
3.600 3.600 2.400 peak 774 spectrum 2 weight 0.11000E+01 volume 0.17221E-02 ppm1 -0.227 ppm2 0.900 CV 1
ASSI { 775}
(( segid "FecA" and resid 53 and name HB1 ))
( segid "FecA" and resid 53 and name HD2%)
2.600 0.800 0.800 peak 775 spectrum 2 weight 0.11000E+01 volume 0.33431E-02 ppm1 1.115 ppm2 0.545 CV 1
ASSI { 777}
(( segid "FecA" and resid 53 and name HB2 ))
( segid "FecA" and resid 53 and name HD2%)
4.100 2.100 1.900 peak 777 spectrum 2 weight 0.11000E+01 volume 0.10191E-02 ppm1 1.817 ppm2 0.547 CV 1
ASSI { 778}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 53 and name HD2%)
2.600 0.900 0.900 peak 778 spectrum 2 weight 0.11000E+01 volume 0.37201E-02 ppm1 0.454 ppm2 0.539 CV 1
ASSI { 779}
( segid "FecA" and resid 40 and name HD1%)
( segid "FecA" and resid 53 and name HD2%)
4.900 3.000 1.100 peak 779 spectrum 2 weight 0.11000E+01 volume 0.28442E-03 ppm1 0.013 ppm2 0.534 CV 1
ASSI { 780}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 53 and name HD2%)
3.200 1.300 1.300 peak 780 spectrum 2 weight 0.11000E+01 volume 0.12535E-02 ppm1 -0.046 ppm2 0.546 CV 1
ASSI { 782}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 12 and name HG2 ))
3.400 1.400 1.400 peak 782 spectrum 2 weight 0.11000E+01 volume 0.15096E-02 ppm1 4.050 ppm2 1.525 CV 1
ASSI { 783}
(( segid "FecA" and resid 12 and name HA ))
(( segid "FecA" and resid 12 and name HG1 ))
3.200 1.300 1.300 peak 783 spectrum 2 weight 0.11000E+01 volume 0.10998E-02 ppm1 4.048 ppm2 1.394 CV 1
ASSI { 784}
(( segid "FecA" and resid 12 and name HE2 ))
(( segid "FecA" and resid 12 and name HG1 ))
3.800 1.800 1.800 peak 784 spectrum 2 weight 0.11000E+01 volume 0.77066E-03 ppm1 3.001 ppm2 1.383 CV 1
OR { 784}
(( segid "FecA" and resid 12 and name HE1 ))
(( segid "FecA" and resid 12 and name HG1 ))
ASSI { 785}
(( segid "FecA" and resid 12 and name HE1 ))
(( segid "FecA" and resid 12 and name HG2 ))
5.600 3.900 0.400 peak 785 spectrum 2 weight 0.11000E+01 volume 0.66099E-04 ppm1 3.003 ppm2 1.522 CV 1
OR { 785}
(( segid "FecA" and resid 12 and name HE2 ))
(( segid "FecA" and resid 12 and name HG2 ))
ASSI { 788}
(( segid "FecA" and resid 62 and name HG1 ))
(( segid "FecA" and resid 62 and name HG2 ))
1.800 0.400 0.400 peak 788 spectrum 2 weight 0.11000E+01 volume 0.10355E-01 ppm1 1.170 ppm2 1.362 CV 1
ASSI { 789}
(( segid "FecA" and resid 62 and name HD2 ))
(( segid "FecA" and resid 62 and name HG2 ))
2.300 0.700 0.700 peak 789 spectrum 2 weight 0.11000E+01 volume 0.90358E-02 ppm1 1.575 ppm2 1.378 CV 1
OR { 789}
(( segid "FecA" and resid 62 and name HD1 ))
(( segid "FecA" and resid 62 and name HG2 ))
ASSI { 791}
(( segid "FecA" and resid 62 and name HD1 ))
(( segid "FecA" and resid 62 and name HG1 ))
2.700 0.900 0.900 peak 791 spectrum 2 weight 0.11000E+01 volume 0.35631E-02 ppm1 1.570 ppm2 1.186 CV 1
ASSI { 792}
(( segid "FecA" and resid 62 and name HE1 ))
(( segid "FecA" and resid 62 and name HG2 ))
4.500 2.600 1.500 peak 792 spectrum 2 weight 0.11000E+01 volume 0.22835E-03 ppm1 2.854 ppm2 1.388 CV 1
OR { 792}
(( segid "FecA" and resid 62 and name HE2 ))
(( segid "FecA" and resid 62 and name HG2 ))
ASSI { 793}
(( segid "FecA" and resid 62 and name HE2 ))
(( segid "FecA" and resid 62 and name HG1 ))
3.800 1.800 1.800 peak 793 spectrum 2 weight 0.11000E+01 volume 0.83571E-03 ppm1 2.852 ppm2 1.179 CV 1
OR { 793}
(( segid "FecA" and resid 62 and name HE1 ))
(( segid "FecA" and resid 62 and name HG1 ))
ASSI { 794}
(( segid "FecA" and resid 63 and name HD1 ))
(( segid "FecA" and resid 62 and name HG2 ))
4.600 2.700 1.400 peak 794 spectrum 2 weight 0.11000E+01 volume 0.31558E-03 ppm1 3.871 ppm2 1.381 CV 1
OR { 794}
(( segid "FecA" and resid 63 and name HD2 ))
(( segid "FecA" and resid 62 and name HG2 ))
ASSI { 795}
(( segid "FecA" and resid 63 and name HD1 ))
(( segid "FecA" and resid 62 and name HG1 ))
6.000 4.500 0.000 peak 795 spectrum 2 weight 0.11000E+01 volume 0.92031E-04 ppm1 3.862 ppm2 1.175 CV 1
OR { 795}
(( segid "FecA" and resid 63 and name HD2 ))
(( segid "FecA" and resid 62 and name HG1 ))
ASSI { 796}
(( segid "FecA" and resid 62 and name HA ))
(( segid "FecA" and resid 62 and name HG2 ))
3.300 1.400 1.400 peak 796 spectrum 2 weight 0.11000E+01 volume 0.99346E-03 ppm1 5.080 ppm2 1.371 CV 1
ASSI { 797}
(( segid "FecA" and resid 62 and name HA ))
(( segid "FecA" and resid 62 and name HG1 ))
4.600 2.600 1.400 peak 797 spectrum 2 weight 0.11000E+01 volume 0.19132E-03 ppm1 5.081 ppm2 1.175 CV 1
ASSI { 798}
(( segid "FecA" and resid 59 and name HG ))
( segid "FecA" and resid 59 and name HD2%)
2.300 0.600 0.600 peak 798 spectrum 2 weight 0.11000E+01 volume 0.87939E-02 ppm1 1.526 ppm2 0.801 CV 1
ASSI { 799}
(( segid "FecA" and resid 59 and name HB2 ))
( segid "FecA" and resid 59 and name HD2%)
3.100 1.200 1.200 peak 799 spectrum 2 weight 0.11000E+01 volume 0.62853E-02 ppm1 1.959 ppm2 0.810 CV 1
ASSI { 802}
(( segid "FecA" and resid 59 and name HA ))
( segid "FecA" and resid 59 and name HD2%)
2.500 0.800 0.800 peak 802 spectrum 2 weight 0.11000E+01 volume 0.65049E-02 ppm1 5.017 ppm2 0.799 CV 1
ASSI { 804}
(( segid "FecA" and resid 54 and name HG ))
( segid "FecA" and resid 54 and name HD2%)
2.300 0.600 0.600 peak 804 spectrum 2 weight 0.11000E+01 volume 0.86031E-02 ppm1 1.791 ppm2 0.837 CV 1
ASSI { 805}
(( segid "FecA" and resid 54 and name HB1 ))
( segid "FecA" and resid 54 and name HD2%)
3.000 1.100 1.100 peak 805 spectrum 2 weight 0.11000E+01 volume 0.24057E-02 ppm1 1.612 ppm2 0.843 CV 1
ASSI { 809}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 50 and name HD2%)
3.300 3.300 2.700 peak 809 spectrum 2 weight 0.11000E+01 volume 0.14452E-02 ppm1 0.455 ppm2 0.647 CV 1
ASSI { 810}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 50 and name HD2%)
2.500 0.800 0.800 peak 810 spectrum 2 weight 0.11000E+01 volume 0.63123E-02 ppm1 -0.225 ppm2 0.653 CV 1
ASSI { 812}
(( segid "FecA" and resid 14 and name HG ))
( segid "FecA" and resid 14 and name HD2%)
2.300 0.600 0.600 peak 812 spectrum 2 weight 0.11000E+01 volume 0.65994E-02 ppm1 1.837 ppm2 0.749 CV 1
ASSI { 813}
( segid "FecA" and resid 53 and name HD2%)
( segid "FecA" and resid 14 and name HD2%)
2.900 2.900 3.100 peak 813 spectrum 2 weight 0.11000E+01 volume 0.10772E-02 ppm1 0.540 ppm2 0.746 CV 1
ASSI { 814}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 14 and name HD2%)
2.700 0.900 0.900 peak 814 spectrum 2 weight 0.11000E+01 volume 0.29365E-02 ppm1 0.455 ppm2 0.745 CV 1
ASSI { 815}
(( segid "FecA" and resid 14 and name HA ))
( segid "FecA" and resid 14 and name HD2%)
2.300 0.700 0.700 peak 815 spectrum 2 weight 0.11000E+01 volume 0.71829E-02 ppm1 3.899 ppm2 0.745 CV 1
ASSI { 816}
(( segid "FecA" and resid 64 and name HA ))
( segid "FecA" and resid 64 and name HD2%)
2.500 0.800 0.800 peak 816 spectrum 2 weight 0.11000E+01 volume 0.67115E-02 ppm1 4.446 ppm2 0.793 CV 1
ASSI { 817}
(( segid "FecA" and resid 62 and name HE1 ))
( segid "FecA" and resid 64 and name HD2%)
3.000 3.000 3.000 peak 817 spectrum 2 weight 0.11000E+01 volume 0.81305E-03 ppm1 2.852 ppm2 0.790 CV 1
ASSI { 818}
(( segid "FecA" and resid 64 and name HB2 ))
( segid "FecA" and resid 64 and name HD2%)
2.700 0.900 0.900 peak 818 spectrum 2 weight 0.11000E+01 volume 0.39695E-02 ppm1 1.439 ppm2 0.789 CV 1
ASSI { 820}
( segid "FecA" and resid 70 and name HG2%)
( segid "FecA" and resid 64 and name HD2%)
3.000 1.200 1.200 peak 820 spectrum 2 weight 0.11000E+01 volume 0.25515E-02 ppm1 1.204 ppm2 0.794 CV 1
ASSI { 823}
(( segid "FecA" and resid 31 and name HG ))
( segid "FecA" and resid 31 and name HD2%)
2.200 0.600 0.600 peak 823 spectrum 2 weight 0.11000E+01 volume 0.95559E-02 ppm1 1.731 ppm2 0.871 CV 1
ASSI { 825}
(( segid "FecA" and resid 32 and name HB ))
( segid "FecA" and resid 32 and name HG2%)
2.200 0.600 0.600 peak 825 spectrum 2 weight 0.11000E+01 volume 0.11423E-01 ppm1 4.128 ppm2 0.847 CV 1
ASSI { 830}
(( segid "FecA" and resid 10 and name HG ))
( segid "FecA" and resid 10 and name HD1%)
2.300 0.600 0.600 peak 830 spectrum 2 weight 0.11000E+01 volume 0.79737E-02 ppm1 1.501 ppm2 0.909 CV 1
ASSI { 833}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 61 and name HG2%)
2.600 2.600 3.400 peak 833 spectrum 2 weight 0.11000E+01 volume 0.49411E-02 ppm1 -0.225 ppm2 0.900 CV 1
ASSI { 834}
( segid "FecA" and resid 54 and name HD1%)
( segid "FecA" and resid 61 and name HG2%)
2.900 2.900 3.100 peak 834 spectrum 2 weight 0.11000E+01 volume 0.58996E-02 ppm1 0.651 ppm2 0.899 CV 1
ASSI { 835}
(( segid "FecA" and resid 71 and name HG ))
( segid "FecA" and resid 61 and name HG2%)
2.500 2.500 3.500 peak 835 spectrum 2 weight 0.11000E+01 volume 0.22269E-02 ppm1 1.671 ppm2 0.904 CV 1
ASSI { 837}
(( segid "FecA" and resid 60 and name HG1 ))
( segid "FecA" and resid 61 and name HG1%)
3.700 3.700 2.300 peak 837 spectrum 2 weight 0.11000E+01 volume 0.18639E-02 ppm1 2.152 ppm2 0.898 CV 1
ASSI { 839}
(( segid "FecA" and resid 61 and name HA ))
( segid "FecA" and resid 61 and name HG2%)
2.700 0.900 0.900 peak 839 spectrum 2 weight 0.11000E+01 volume 0.35966E-02 ppm1 4.816 ppm2 0.899 CV 1
ASSI { 840}
(( segid "FecA" and resid 62 and name HA ))
( segid "FecA" and resid 61 and name HG2%)
4.500 2.500 1.500 peak 840 spectrum 2 weight 0.11000E+01 volume 0.23641E-03 ppm1 5.082 ppm2 0.899 CV 1
ASSI { 841}
(( segid "FecA" and resid 27 and name HB ))
( segid "FecA" and resid 27 and name HG2%)
2.400 0.700 0.700 peak 841 spectrum 2 weight 0.11000E+01 volume 0.74589E-02 ppm1 2.054 ppm2 0.979 CV 1
ASSI { 842}
(( segid "FecA" and resid 31 and name HB1 ))
( segid "FecA" and resid 27 and name HG2%)
4.000 4.000 2.000 peak 842 spectrum 2 weight 0.11000E+01 volume 0.11189E-02 ppm1 1.530 ppm2 0.986 CV 1
ASSI { 843}
(( segid "FecA" and resid 31 and name HG ))
( segid "FecA" and resid 27 and name HG2%)
3.500 3.500 2.500 peak 843 spectrum 2 weight 0.11000E+01 volume 0.11541E-02 ppm1 1.719 ppm2 0.997 CV 1
ASSI { 846}
(( segid "FecA" and resid 73 and name HA ))
(( segid "FecA" and resid 73 and name HD1 ))
2.500 2.500 3.500 peak 846 spectrum 2 weight 0.11000E+01 volume 0.71283E-02 ppm1 4.390 ppm2 3.752 CV 1
ASSI { 847}
(( segid "FecA" and resid 73 and name HB2 ))
(( segid "FecA" and resid 73 and name HD2 ))
2.400 2.400 3.600 peak 847 spectrum 2 weight 0.11000E+01 volume 0.16955E-01 ppm1 2.020 ppm2 3.622 CV 1
ASSI { 848}
(( segid "FecA" and resid 73 and name HB2 ))
(( segid "FecA" and resid 73 and name HD1 ))
2.500 2.500 3.500 peak 848 spectrum 2 weight 0.11000E+01 volume 0.24131E-01 ppm1 2.019 ppm2 3.780 CV 1
ASSI { 852}
(( segid "FecA" and resid 75 and name HG2 ))
(( segid "FecA" and resid 75 and name HD1 ))
2.400 0.700 0.700 peak 852 spectrum 2 weight 0.11000E+01 volume 0.54581E-02 ppm1 2.174 ppm2 3.744 CV 1
OR { 852}
(( segid "FecA" and resid 75 and name HG2 ))
(( segid "FecA" and resid 75 and name HD2 ))
ASSI { 853}
(( segid "FecA" and resid 75 and name HG1 ))
(( segid "FecA" and resid 75 and name HD2 ))
2.200 0.600 0.600 peak 853 spectrum 2 weight 0.11000E+01 volume 0.98242E-02 ppm1 1.949 ppm2 3.751 CV 1
OR { 853}
(( segid "FecA" and resid 75 and name HG1 ))
(( segid "FecA" and resid 75 and name HD1 ))
ASSI { 855}
( segid "FecA" and resid 31 and name HD2%)
(( segid "FecA" and resid 73 and name HD1 ))
3.400 3.400 2.600 peak 855 spectrum 2 weight 0.11000E+01 volume 0.16223E-02 ppm1 0.859 ppm2 3.762 CV 1
ASSI { 857}
(( segid "FecA" and resid 6 and name HA ))
(( segid "FecA" and resid 7 and name HD1 ))
2.400 0.700 0.700 peak 857 spectrum 2 weight 0.11000E+01 volume 0.45468E-02 ppm1 4.517 ppm2 3.638 CV 1
ASSI { 860}
( segid "FecA" and resid 76 and name HB% )
(( segid "FecA" and resid 77 and name HD2 ))
4.000 4.000 2.000 peak 860 spectrum 2 weight 0.11000E+01 volume 0.18184E-02 ppm1 1.415 ppm2 3.802 CV 1
ASSI { 861}
( segid "FecA" and resid 76 and name HB% )
(( segid "FecA" and resid 77 and name HD1 ))
3.400 3.400 2.600 peak 861 spectrum 2 weight 0.11000E+01 volume 0.36873E-02 ppm1 1.416 ppm2 3.633 CV 1
ASSI { 864}
(( segid "FecA" and resid 75 and name HD2 ))
(( segid "FecA" and resid 74 and name HA ))
2.200 0.600 0.600 peak 864 spectrum 2 weight 0.11000E+01 volume 0.81868E-02 ppm1 3.753 ppm2 4.393 CV 1
OR { 864}
(( segid "FecA" and resid 75 and name HD1 ))
(( segid "FecA" and resid 74 and name HA ))
ASSI { 865}
(( segid "FecA" and resid 73 and name HD2 ))
(( segid "FecA" and resid 74 and name HA ))
2.200 2.200 3.800 peak 865 spectrum 2 weight 0.11000E+01 volume 0.49354E-02 ppm1 3.583 ppm2 4.391 CV 1
ASSI { 866}
(( segid "FecA" and resid 77 and name HD2 ))
(( segid "FecA" and resid 76 and name HA ))
2.300 0.600 0.600 peak 866 spectrum 2 weight 0.11000E+01 volume 0.86336E-02 ppm1 3.814 ppm2 4.590 CV 1
ASSI { 867}
(( segid "FecA" and resid 77 and name HD1 ))
(( segid "FecA" and resid 76 and name HA ))
2.500 0.800 0.800 peak 867 spectrum 2 weight 0.11000E+01 volume 0.60416E-02 ppm1 3.658 ppm2 4.588 CV 1
ASSI { 870}
(( segid "FecA" and resid 73 and name HB2 ))
(( segid "FecA" and resid 74 and name HA ))
3.200 1.300 1.300 peak 870 spectrum 2 weight 0.11000E+01 volume 0.12272E-02 ppm1 2.023 ppm2 4.393 CV 1
ASSI { 871}
(( segid "FecA" and resid 75 and name HG2 ))
(( segid "FecA" and resid 74 and name HA ))
6.000 4.900 0.000 peak 871 spectrum 2 weight 0.11000E+01 volume 0.14571E-03 ppm1 2.130 ppm2 4.382 CV 1
ASSI { 872}
(( segid "FecA" and resid 73 and name HB1 ))
(( segid "FecA" and resid 74 and name HA ))
4.300 2.400 1.700 peak 872 spectrum 2 weight 0.11000E+01 volume 0.75076E-03 ppm1 2.276 ppm2 4.392 CV 1
ASSI { 874}
(( segid "FecA" and resid 63 and name HG1 ))
(( segid "FecA" and resid 63 and name HD2 ))
2.200 0.600 0.600 peak 874 spectrum 2 weight 0.11000E+01 volume 0.10641E-01 ppm1 2.069 ppm2 3.871 CV 1
OR { 874}
(( segid "FecA" and resid 63 and name HG2 ))
(( segid "FecA" and resid 63 and name HD1 ))
OR { 874}
(( segid "FecA" and resid 63 and name HG2 ))
(( segid "FecA" and resid 63 and name HD2 ))
OR { 874}
(( segid "FecA" and resid 63 and name HG1 ))
(( segid "FecA" and resid 63 and name HD1 ))
ASSI { 875}
(( segid "FecA" and resid 63 and name HB2 ))
(( segid "FecA" and resid 63 and name HD1 ))
3.100 1.200 1.200 peak 875 spectrum 2 weight 0.11000E+01 volume 0.37697E-02 ppm1 1.563 ppm2 3.868 CV 1
OR { 875}
(( segid "FecA" and resid 63 and name HB1 ))
(( segid "FecA" and resid 63 and name HD2 ))
OR { 875}
(( segid "FecA" and resid 63 and name HB1 ))
(( segid "FecA" and resid 63 and name HD1 ))
OR { 875}
(( segid "FecA" and resid 63 and name HB2 ))
(( segid "FecA" and resid 63 and name HD2 ))
ASSI { 877}
(( segid "FecA" and resid 7 and name HD2 ))
(( segid "FecA" and resid 6 and name HA ))
2.600 0.800 0.800 peak 877 spectrum 2 weight 0.11000E+01 volume 0.85720E-02 ppm1 3.803 ppm2 4.518 CV 1
ASSI { 881}
(( segid "FecA" and resid 49 and name HA1 ))
( segid "FecA" and resid 40 and name HD2%)
3.600 1.600 1.600 peak 881 spectrum 2 weight 0.11000E+01 volume 0.14264E-02 ppm1 3.035 ppm2 -0.035 CV 1
ASSI { 883}
(( segid "FecA" and resid 40 and name HG ))
( segid "FecA" and resid 40 and name HD2%)
2.200 0.600 0.600 peak 883 spectrum 2 weight 0.11000E+01 volume 0.83600E-02 ppm1 0.843 ppm2 -0.042 CV 1
ASSI { 889}
(( segid "FecA" and resid 50 and name HG ))
( segid "FecA" and resid 50 and name HD1%)
2.500 0.800 0.800 peak 889 spectrum 2 weight 0.11000E+01 volume 0.45804E-02 ppm1 1.411 ppm2 -0.220 CV 1
ASSI { 892}
(( segid "FecA" and resid 50 and name HA ))
( segid "FecA" and resid 50 and name HD1%)
5.200 3.300 0.800 peak 892 spectrum 2 weight 0.11000E+01 volume 0.21353E-03 ppm1 3.706 ppm2 -0.220 CV 1
ASSI { 899}
(( segid "FecA" and resid 52 and name HB1 ))
( segid "FecA" and resid 40 and name HD1%)
2.700 0.900 0.900 peak 899 spectrum 2 weight 0.11000E+01 volume 0.25062E-02 ppm1 1.777 ppm2 0.020 CV 1
ASSI { 900}
(( segid "FecA" and resid 53 and name HG ))
( segid "FecA" and resid 40 and name HD1%)
4.400 2.400 1.600 peak 900 spectrum 2 weight 0.11000E+01 volume 0.68935E-03 ppm1 1.377 ppm2 0.028 CV 1
ASSI { 901}
(( segid "FecA" and resid 40 and name HB2 ))
( segid "FecA" and resid 40 and name HD1%)
3.000 1.200 1.200 peak 901 spectrum 2 weight 0.11000E+01 volume 0.12125E-02 ppm1 1.109 ppm2 0.020 CV 1
ASSI { 902}
(( segid "FecA" and resid 40 and name HB1 ))
( segid "FecA" and resid 40 and name HD1%)
3.300 1.300 1.300 peak 902 spectrum 2 weight 0.11000E+01 volume 0.40318E-02 ppm1 0.891 ppm2 0.020 CV 1
ASSI { 903}
(( segid "FecA" and resid 40 and name HG ))
( segid "FecA" and resid 40 and name HD1%)
2.300 0.700 0.700 peak 903 spectrum 2 weight 0.11000E+01 volume 0.70966E-02 ppm1 0.840 ppm2 0.019 CV 1
ASSI { 904}
(( segid "FecA" and resid 63 and name HB1 ))
(( segid "FecA" and resid 63 and name HG1 ))
2.200 0.600 0.600 peak 904 spectrum 2 weight 0.11000E+01 volume 0.91819E-02 ppm1 1.566 ppm2 2.073 CV 1
OR { 904}
(( segid "FecA" and resid 63 and name HB2 ))
(( segid "FecA" and resid 63 and name HG2 ))
OR { 904}
(( segid "FecA" and resid 63 and name HB1 ))
(( segid "FecA" and resid 63 and name HG2 ))
OR { 904}
(( segid "FecA" and resid 63 and name HB2 ))
(( segid "FecA" and resid 63 and name HG1 ))
ASSI { 906}
(( segid "FecA" and resid 25 and name HB2 ))
(( segid "FecA" and resid 25 and name HG ))
2.300 0.700 0.700 peak 906 spectrum 2 weight 0.11000E+01 volume 0.55300E-02 ppm1 1.743 ppm2 1.543 CV 1
ASSI { 907}
(( segid "FecA" and resid 71 and name HB1 ))
(( segid "FecA" and resid 71 and name HG ))
2.900 1.100 1.100 peak 907 spectrum 2 weight 0.11000E+01 volume 0.21851E-02 ppm1 1.415 ppm2 1.666 CV 1
ASSI { 909}
(( segid "FecA" and resid 75 and name HB1 ))
(( segid "FecA" and resid 75 and name HG1 ))
2.500 0.800 0.800 peak 909 spectrum 2 weight 0.11000E+01 volume 0.34947E-02 ppm1 2.379 ppm2 1.955 CV 1
ASSI { 910}
(( segid "FecA" and resid 75 and name HG2 ))
(( segid "FecA" and resid 75 and name HG1 ))
1.800 0.400 0.400 peak 910 spectrum 2 weight 0.11000E+01 volume 0.11929E-01 ppm1 2.175 ppm2 1.959 CV 1
ASSI { 912}
(( segid "FecA" and resid 40 and name HG ))
(( segid "FecA" and resid 52 and name HB2 ))
4.300 2.300 1.700 peak 912 spectrum 2 weight 0.11000E+01 volume 0.95183E-03 ppm1 0.859 ppm2 1.947 CV 1
ASSI { 913}
(( segid "FecA" and resid 70 and name HB ))
(( segid "FecA" and resid 26 and name HB2 ))
3.700 1.700 1.700 peak 913 spectrum 2 weight 0.11000E+01 volume 0.66598E-03 ppm1 4.164 ppm2 3.874 CV 1
ASSI { 914}
(( segid "FecA" and resid 70 and name HB ))
(( segid "FecA" and resid 26 and name HB1 ))
3.900 1.900 1.900 peak 914 spectrum 2 weight 0.11000E+01 volume 0.58629E-03 ppm1 4.155 ppm2 3.730 CV 1
ASSI { 915}
(( segid "FecA" and resid 70 and name HA ))
(( segid "FecA" and resid 26 and name HB2 ))
4.600 2.600 1.400 peak 915 spectrum 2 weight 0.11000E+01 volume 0.14980E-03 ppm1 5.181 ppm2 3.868 CV 1
ASSI { 916}
(( segid "FecA" and resid 70 and name HA ))
(( segid "FecA" and resid 26 and name HB1 ))
5.500 3.800 0.500 peak 916 spectrum 2 weight 0.11000E+01 volume 0.62671E-04 ppm1 5.184 ppm2 3.720 CV 1
ASSI { 917}
( segid "FecA" and resid 40 and name HD1%)
( segid "FecA" and resid 3 and name HG1%)
3.200 3.200 2.800 peak 917 spectrum 2 weight 0.11000E+01 volume 0.44226E-02 ppm1 -0.045 ppm2 0.847 CV 1
ASSI { 918}
(( segid "FecA" and resid 31 and name HB2 ))
( segid "FecA" and resid 27 and name HG2%)
4.400 2.500 1.600 peak 918 spectrum 2 weight 0.11000E+01 volume 0.16971E-03 ppm1 1.935 ppm2 0.992 CV 1
ASSI { 919}
( segid "FecA" and resid 27 and name HG1%)
( segid "FecA" and resid 27 and name HG2%)
5.800 4.200 0.200 peak 919 spectrum 2 weight 0.11000E+01 volume 0.47393E-04 ppm1 0.841 ppm2 3.162 CV 1
ASSI { 920}
(( segid "FecA" and resid 31 and name HB1 ))
( segid "FecA" and resid 31 and name HD2%)
2.400 0.700 0.700 peak 920 spectrum 2 weight 0.11000E+01 volume 0.66962E-02 ppm1 1.522 ppm2 0.856 CV 1
ASSI { 921}
( segid "FecA" and resid 40 and name HD2%)
(( segid "FecA" and resid 52 and name HG2 ))
5.100 3.300 0.900 peak 921 spectrum 2 weight 0.11000E+01 volume 0.19756E-03 ppm1 -0.045 ppm2 2.283 CV 1
ASSI { 1}
( segid "FecA" and resid 17 and name HD% )
(( segid "FecA" and resid 20 and name HD2 ))
4.500 2.500 1.500 peak 1 spectrum 3 weight 0.11000E+01 volume 0.28584E-03 ppm1 6.937 ppm2 7.107 CV 1
ASSI { 1}
( segid "FecA" and resid 23 and name HD% )
(( segid "FecA" and resid 69 and name HE3 ))
3.900 1.900 1.900 peak 1 spectrum 3 weight 0.11000E+01 volume 0.94708E-03 ppm1 6.892 ppm2 7.182 CV 1
ASSI { 2}
(( segid "FecA" and resid 69 and name HZ3 ))
(( segid "FecA" and resid 69 and name HE3 ))
2.400 0.700 0.700 peak 2 spectrum 3 weight 0.11000E+01 volume 0.50381E-02 ppm1 6.836 ppm2 7.177 CV 1
ASSI { 3}
(( segid "FecA" and resid 69 and name HZ3 ))
(( segid "FecA" and resid 69 and name HH2 ))
2.300 0.700 0.700 peak 3 spectrum 3 weight 0.11000E+01 volume 0.56462E-02 ppm1 6.834 ppm2 7.106 CV 1
ASSI { 4}
( segid "FecA" and resid 17 and name HE% )
(( segid "FecA" and resid 20 and name HD2 ))
4.100 2.100 1.900 peak 4 spectrum 3 weight 0.11000E+01 volume 0.78798E-03 ppm1 6.730 ppm2 7.107 CV 1
ASSI { 5}
(( segid "FecA" and resid 69 and name HH2 ))
(( segid "FecA" and resid 69 and name HZ2 ))
2.400 0.700 0.700 peak 5 spectrum 3 weight 0.11000E+01 volume 0.61773E-02 ppm1 7.108 ppm2 7.298 CV 1
ASSI { 6}
(( segid "FecA" and resid 69 and name HZ3 ))
(( segid "FecA" and resid 69 and name HZ2 ))
4.400 2.400 1.600 peak 6 spectrum 3 weight 0.11000E+01 volume 0.63775E-03 ppm1 6.830 ppm2 7.294 CV 1
ASSI { 7}
(( segid "FecA" and resid 23 and name HZ ))
( segid "FecA" and resid 17 and name HD% )
2.200 0.600 0.600 peak 7 spectrum 3 weight 0.11000E+01 volume 0.52810E-02 ppm1 6.781 ppm2 6.940 CV 1
ASSI { 8}
( segid "FecA" and resid 17 and name HE% )
( segid "FecA" and resid 17 and name HD% )
2.100 0.500 0.500 peak 8 spectrum 3 weight 0.11000E+01 volume 0.12419E-01 ppm1 6.740 ppm2 6.936 CV 1
ASSI { 9}
( segid "FecA" and resid 23 and name HE% )
( segid "FecA" and resid 17 and name HD% )
3.000 1.200 1.200 peak 9 spectrum 3 weight 0.11000E+01 volume 0.18164E-02 ppm1 6.570 ppm2 6.939 CV 1
ASSI { 10}
( segid "FecA" and resid 23 and name HE% )
( segid "FecA" and resid 23 and name HD% )
2.100 0.600 0.600 peak 10 spectrum 3 weight 0.11000E+01 volume 0.99087E-02 ppm1 6.570 ppm2 6.889 CV 1
ASSI { 11}
(( segid "FecA" and resid 23 and name HZ ))
( segid "FecA" and resid 23 and name HD% )
3.900 1.900 1.900 peak 11 spectrum 3 weight 0.11000E+01 volume 0.94508E-03 ppm1 6.784 ppm2 6.885 CV 1
ASSI { 12}
(( segid "FecA" and resid 69 and name HD1 ))
( segid "FecA" and resid 23 and name HD% )
2.900 2.900 3.100 peak 12 spectrum 3 weight 0.11000E+01 volume 0.30164E-02 ppm1 6.811 ppm2 6.891 CV 1
ASSI { 13}
( segid "FecA" and resid 44 and name HE% )
( segid "FecA" and resid 44 and name HD% )
2.200 0.600 0.600 peak 13 spectrum 3 weight 0.11000E+01 volume 0.99293E-02 ppm1 6.515 ppm2 6.800 CV 1
ASSI { 14}
( segid "FecA" and resid 23 and name HE% )
(( segid "FecA" and resid 23 and name HZ ))
2.000 0.500 0.500 peak 14 spectrum 3 weight 0.11000E+01 volume 0.98078E-02 ppm1 6.571 ppm2 6.780 CV 1
ASSI { 15}
( segid "FecA" and resid 23 and name HE% )
( segid "FecA" and resid 17 and name HE% )
3.900 1.900 1.900 peak 15 spectrum 3 weight 0.11000E+01 volume 0.42927E-03 ppm1 6.567 ppm2 6.739 CV 1
ASSI { 16}
(( segid "FecA" and resid 68 and name HA ))
(( segid "FecA" and resid 69 and name HE3 ))
4.400 2.500 1.600 peak 16 spectrum 3 weight 0.11000E+01 volume 0.41002E-03 ppm1 5.718 ppm2 7.180 CV 1
ASSI { 17}
(( segid "FecA" and resid 69 and name HA ))
(( segid "FecA" and resid 69 and name HE3 ))
4.600 2.600 1.400 peak 17 spectrum 3 weight 0.11000E+01 volume 0.79197E-03 ppm1 5.077 ppm2 7.180 CV 1
ASSI { 18}
(( segid "FecA" and resid 63 and name HA ))
(( segid "FecA" and resid 69 and name HE3 ))
4.300 2.300 1.700 peak 18 spectrum 3 weight 0.11000E+01 volume 0.15292E-02 ppm1 3.992 ppm2 7.180 CV 1
ASSI { 19}
(( segid "FecA" and resid 69 and name HB2 ))
(( segid "FecA" and resid 69 and name HE3 ))
2.800 1.000 1.000 peak 19 spectrum 3 weight 0.11000E+01 volume 0.16107E-02 ppm1 3.078 ppm2 7.184 CV 1
ASSI { 20}
(( segid "FecA" and resid 69 and name HB1 ))
(( segid "FecA" and resid 69 and name HE3 ))
4.000 2.000 2.000 peak 20 spectrum 3 weight 0.11000E+01 volume 0.10775E-02 ppm1 2.830 ppm2 7.185 CV 1
ASSI { 21}
(( segid "FecA" and resid 61 and name HB ))
(( segid "FecA" and resid 69 and name HE3 ))
4.800 2.800 1.200 peak 21 spectrum 3 weight 0.11000E+01 volume 0.22236E-03 ppm1 2.050 ppm2 7.185 CV 1
ASSI { 22}
( segid "FecA" and resid 25 and name HD1%)
(( segid "FecA" and resid 69 and name HE3 ))
2.800 1.000 1.000 peak 22 spectrum 3 weight 0.11000E+01 volume 0.21548E-02 ppm1 0.913 ppm2 7.183 CV 1
ASSI { 23}
(( segid "FecA" and resid 21 and name HA ))
(( segid "FecA" and resid 20 and name HD2 ))
3.800 3.800 2.200 peak 23 spectrum 3 weight 0.11000E+01 volume 0.71700E-03 ppm1 4.404 ppm2 7.109 CV 1
ASSI { 24}
(( segid "FecA" and resid 20 and name HB1 ))
(( segid "FecA" and resid 20 and name HD2 ))
3.300 1.400 1.400 peak 24 spectrum 3 weight 0.11000E+01 volume 0.12428E-02 ppm1 3.308 ppm2 7.110 CV 1
OR { 24}
(( segid "FecA" and resid 20 and name HB2 ))
(( segid "FecA" and resid 20 and name HD2 ))
ASSI { 25}
( segid "FecA" and resid 3 and name HG1%)
(( segid "FecA" and resid 20 and name HD2 ))
4.000 2.000 2.000 peak 25 spectrum 3 weight 0.11000E+01 volume 0.51914E-03 ppm1 0.855 ppm2 7.110 CV 1
ASSI { 26}
(( segid "FecA" and resid 17 and name HA ))
( segid "FecA" and resid 17 and name HD% )
2.600 2.600 3.400 peak 26 spectrum 3 weight 0.11000E+01 volume 0.54403E-02 ppm1 4.504 ppm2 6.940 CV 1
ASSI { 27}
(( segid "FecA" and resid 20 and name HB2 ))
( segid "FecA" and resid 17 and name HD% )
3.200 1.200 1.200 peak 27 spectrum 3 weight 0.11000E+01 volume 0.13621E-02 ppm1 3.311 ppm2 6.941 CV 1
OR { 27}
(( segid "FecA" and resid 20 and name HB1 ))
( segid "FecA" and resid 17 and name HD% )
ASSI { 28}
(( segid "FecA" and resid 17 and name HB2 ))
( segid "FecA" and resid 17 and name HD% )
2.700 0.900 0.900 peak 28 spectrum 3 weight 0.11000E+01 volume 0.20507E-02 ppm1 3.102 ppm2 6.938 CV 1
ASSI { 29}
(( segid "FecA" and resid 17 and name HB1 ))
( segid "FecA" and resid 17 and name HD% )
2.700 0.900 0.900 peak 29 spectrum 3 weight 0.11000E+01 volume 0.37281E-02 ppm1 3.007 ppm2 6.940 CV 1
ASSI { 30}
(( segid "FecA" and resid 23 and name HA ))
( segid "FecA" and resid 23 and name HD% )
3.900 1.900 1.900 peak 30 spectrum 3 weight 0.11000E+01 volume 0.13739E-02 ppm1 5.332 ppm2 6.892 CV 1
ASSI { 31}
(( segid "FecA" and resid 21 and name HB2 ))
( segid "FecA" and resid 23 and name HD% )
3.200 1.200 1.200 peak 31 spectrum 3 weight 0.11000E+01 volume 0.27679E-02 ppm1 3.894 ppm2 6.892 CV 1
ASSI { 32}
(( segid "FecA" and resid 23 and name HB2 ))
( segid "FecA" and resid 23 and name HD% )
2.800 1.000 1.000 peak 32 spectrum 3 weight 0.11000E+01 volume 0.26843E-02 ppm1 3.448 ppm2 6.891 CV 1
ASSI { 33}
(( segid "FecA" and resid 23 and name HB1 ))
( segid "FecA" and resid 23 and name HD% )
2.400 0.700 0.700 peak 33 spectrum 3 weight 0.11000E+01 volume 0.48181E-02 ppm1 3.036 ppm2 6.890 CV 1
ASSI { 34}
(( segid "FecA" and resid 18 and name HA ))
( segid "FecA" and resid 23 and name HD% )
3.700 1.700 1.700 peak 34 spectrum 3 weight 0.11000E+01 volume 0.78751E-03 ppm1 2.131 ppm2 6.891 CV 1
ASSI { 35}
(( segid "FecA" and resid 25 and name HG ))
( segid "FecA" and resid 23 and name HD% )
3.400 1.500 1.500 peak 35 spectrum 3 weight 0.11000E+01 volume 0.10639E-02 ppm1 1.539 ppm2 6.891 CV 1
ASSI { 36}
( segid "FecA" and resid 18 and name HB% )
( segid "FecA" and resid 23 and name HD% )
6.000 5.400 0.000 peak 36 spectrum 3 weight 0.11000E+01 volume 0.32049E-04 ppm1 1.028 ppm2 6.887 CV 1
ASSI { 37}
( segid "FecA" and resid 25 and name HD2%)
( segid "FecA" and resid 23 and name HD% )
3.700 1.700 1.700 peak 37 spectrum 3 weight 0.11000E+01 volume 0.50354E-03 ppm1 0.920 ppm2 6.893 CV 1
ASSI { 38}
( segid "FecA" and resid 25 and name HD1%)
( segid "FecA" and resid 23 and name HD% )
5.500 3.700 0.500 peak 38 spectrum 3 weight 0.11000E+01 volume 0.11007E-03 ppm1 0.870 ppm2 6.890 CV 1
ASSI { 39}
( segid "FecA" and resid 46 and name HG1%)
( segid "FecA" and resid 23 and name HD% )
3.800 1.800 1.800 peak 39 spectrum 3 weight 0.11000E+01 volume 0.67373E-03 ppm1 -0.385 ppm2 6.893 CV 1
ASSI { 40}
(( segid "FecA" and resid 50 and name HG ))
( segid "FecA" and resid 17 and name HD% )
3.700 3.700 2.300 peak 40 spectrum 3 weight 0.11000E+01 volume 0.70608E-03 ppm1 1.423 ppm2 6.934 CV 1
ASSI { 41}
( segid "FecA" and resid 46 and name HG2%)
( segid "FecA" and resid 17 and name HD% )
3.600 1.600 1.600 peak 41 spectrum 3 weight 0.11000E+01 volume 0.18192E-02 ppm1 0.854 ppm2 6.941 CV 1
ASSI { 42}
( segid "FecA" and resid 5 and name HD1%)
( segid "FecA" and resid 17 and name HD% )
4.800 2.800 1.200 peak 42 spectrum 3 weight 0.11000E+01 volume 0.99763E-04 ppm1 0.723 ppm2 6.939 CV 1
ASSI { 43}
( segid "FecA" and resid 50 and name HD2%)
( segid "FecA" and resid 17 and name HD% )
3.100 1.200 1.200 peak 43 spectrum 3 weight 0.11000E+01 volume 0.22469E-02 ppm1 0.660 ppm2 6.940 CV 1
ASSI { 44}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 17 and name HD% )
2.700 2.700 3.300 peak 44 spectrum 3 weight 0.11000E+01 volume 0.15349E-02 ppm1 0.462 ppm2 6.938 CV 1
ASSI { 45}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 17 and name HD% )
4.300 2.300 1.700 peak 45 spectrum 3 weight 0.11000E+01 volume 0.20754E-03 ppm1 -0.042 ppm2 6.933 CV 1
ASSI { 46}
(( segid "FecA" and resid 68 and name HA ))
(( segid "FecA" and resid 69 and name HD1 ))
3.200 1.300 1.300 peak 46 spectrum 3 weight 0.11000E+01 volume 0.13967E-02 ppm1 5.717 ppm2 6.811 CV 1
ASSI { 47}
(( segid "FecA" and resid 25 and name HA ))
(( segid "FecA" and resid 69 and name HZ3 ))
5.000 3.200 1.000 peak 47 spectrum 3 weight 0.11000E+01 volume 0.57169E-03 ppm1 5.331 ppm2 6.815 CV 1
ASSI { 48}
(( segid "FecA" and resid 69 and name HA ))
(( segid "FecA" and resid 69 and name HD1 ))
3.400 1.500 1.500 peak 48 spectrum 3 weight 0.11000E+01 volume 0.83594E-03 ppm1 5.084 ppm2 6.815 CV 1
ASSI { 49}
(( segid "FecA" and resid 43 and name HA ))
( segid "FecA" and resid 44 and name HD% )
5.300 3.600 0.700 peak 49 spectrum 3 weight 0.11000E+01 volume 0.19074E-03 ppm1 4.953 ppm2 6.805 CV 1
ASSI { 50}
(( segid "FecA" and resid 48 and name HB2 ))
( segid "FecA" and resid 44 and name HD% )
3.600 1.600 1.600 peak 50 spectrum 3 weight 0.11000E+01 volume 0.79896E-03 ppm1 4.112 ppm2 6.806 CV 1
ASSI { 51}
(( segid "FecA" and resid 48 and name HB1 ))
( segid "FecA" and resid 44 and name HD% )
3.400 1.400 1.400 peak 51 spectrum 3 weight 0.11000E+01 volume 0.78839E-03 ppm1 4.059 ppm2 6.804 CV 1
ASSI { 52}
(( segid "FecA" and resid 63 and name HA ))
(( segid "FecA" and resid 69 and name HD1 ))
3.100 1.200 1.200 peak 52 spectrum 3 weight 0.11000E+01 volume 0.95941E-03 ppm1 3.992 ppm2 6.813 CV 1
ASSI { 53}
(( segid "FecA" and resid 14 and name HA ))
(( segid "FecA" and resid 69 and name HZ3 ))
3.800 1.800 1.800 peak 53 spectrum 3 weight 0.11000E+01 volume 0.79385E-03 ppm1 3.878 ppm2 6.836 CV 1
ASSI { 54}
(( segid "FecA" and resid 23 and name HB2 ))
(( segid "FecA" and resid 69 and name HD1 ))
3.200 3.200 2.800 peak 54 spectrum 3 weight 0.11000E+01 volume 0.20253E-02 ppm1 3.450 ppm2 6.813 CV 1
ASSI { 55}
(( segid "FecA" and resid 44 and name HB2 ))
( segid "FecA" and resid 44 and name HD% )
2.700 0.900 0.900 peak 55 spectrum 3 weight 0.11000E+01 volume 0.25428E-02 ppm1 3.222 ppm2 6.806 CV 1
ASSI { 56}
(( segid "FecA" and resid 69 and name HB2 ))
(( segid "FecA" and resid 69 and name HD1 ))
3.200 1.300 1.300 peak 56 spectrum 3 weight 0.11000E+01 volume 0.26603E-02 ppm1 3.048 ppm2 6.811 CV 1
ASSI { 57}
(( segid "FecA" and resid 69 and name HB1 ))
(( segid "FecA" and resid 69 and name HD1 ))
3.400 1.500 1.500 peak 57 spectrum 3 weight 0.11000E+01 volume 0.88491E-03 ppm1 2.825 ppm2 6.812 CV 1
ASSI { 58}
(( segid "FecA" and resid 44 and name HB1 ))
( segid "FecA" and resid 44 and name HD% )
2.700 0.900 0.900 peak 58 spectrum 3 weight 0.11000E+01 volume 0.31387E-02 ppm1 2.394 ppm2 6.805 CV 1
ASSI { 59}
(( segid "FecA" and resid 18 and name HA ))
(( segid "FecA" and resid 23 and name HZ ))
3.100 1.200 1.200 peak 59 spectrum 3 weight 0.11000E+01 volume 0.10039E-02 ppm1 2.125 ppm2 6.780 CV 1
ASSI { 60}
( segid "FecA" and resid 25 and name HD2%)
(( segid "FecA" and resid 69 and name HZ3 ))
5.600 3.900 0.400 peak 60 spectrum 3 weight 0.11000E+01 volume 0.58779E-04 ppm1 0.911 ppm2 6.815 CV 1
ASSI { 61}
( segid "FecA" and resid 46 and name HG2%)
(( segid "FecA" and resid 23 and name HZ ))
3.300 3.300 2.700 peak 61 spectrum 3 weight 0.11000E+01 volume 0.22473E-02 ppm1 0.855 ppm2 6.806 CV 1
ASSI { 62}
( segid "FecA" and resid 50 and name HD2%)
(( segid "FecA" and resid 23 and name HZ ))
3.400 1.400 1.400 peak 62 spectrum 3 weight 0.11000E+01 volume 0.24841E-02 ppm1 0.661 ppm2 6.782 CV 1
ASSI { 63}
( segid "FecA" and resid 40 and name HD1%)
( segid "FecA" and resid 44 and name HD% )
4.400 2.400 1.600 peak 63 spectrum 3 weight 0.11000E+01 volume 0.30397E-03 ppm1 0.020 ppm2 6.810 CV 1
ASSI { 64}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 44 and name HD% )
4.000 2.000 2.000 peak 64 spectrum 3 weight 0.11000E+01 volume 0.37351E-03 ppm1 -0.040 ppm2 6.805 CV 1
ASSI { 65}
( segid "FecA" and resid 50 and name HD1%)
(( segid "FecA" and resid 23 and name HZ ))
5.100 3.300 0.900 peak 65 spectrum 3 weight 0.11000E+01 volume 0.18915E-03 ppm1 -0.224 ppm2 6.779 CV 1
ASSI { 66}
( segid "FecA" and resid 46 and name HG1%)
( segid "FecA" and resid 17 and name HE% )
4.400 2.400 1.600 peak 66 spectrum 3 weight 0.11000E+01 volume 0.33978E-03 ppm1 -0.388 ppm2 6.730 CV 1
ASSI { 67}
( segid "FecA" and resid 46 and name HG1%)
( segid "FecA" and resid 23 and name HE% )
3.900 1.900 1.900 peak 67 spectrum 3 weight 0.11000E+01 volume 0.62207E-03 ppm1 -0.387 ppm2 6.566 CV 1
ASSI { 68}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 23 and name HE% )
3.900 3.900 2.100 peak 68 spectrum 3 weight 0.11000E+01 volume 0.77248E-03 ppm1 -0.221 ppm2 6.569 CV 1
ASSI { 69}
( segid "FecA" and resid 50 and name HD1%)
( segid "FecA" and resid 17 and name HE% )
4.400 2.400 1.600 peak 69 spectrum 3 weight 0.11000E+01 volume 0.33869E-03 ppm1 -0.224 ppm2 6.733 CV 1
ASSI { 70}
( segid "FecA" and resid 40 and name HD2%)
( segid "FecA" and resid 17 and name HE% )
3.600 1.600 1.600 peak 70 spectrum 3 weight 0.11000E+01 volume 0.94174E-03 ppm1 -0.042 ppm2 6.733 CV 1
ASSI { 71}
( segid "FecA" and resid 40 and name HD1%)
( segid "FecA" and resid 44 and name HE% )
3.400 1.500 1.500 peak 71 spectrum 3 weight 0.11000E+01 volume 0.76596E-03 ppm1 0.021 ppm2 6.512 CV 1
ASSI { 72}
( segid "FecA" and resid 53 and name HD1%)
( segid "FecA" and resid 17 and name HE% )
3.500 3.500 2.500 peak 72 spectrum 3 weight 0.11000E+01 volume 0.32531E-03 ppm1 0.466 ppm2 6.737 CV 1
ASSI { 73}
( segid "FecA" and resid 50 and name HD2%)
( segid "FecA" and resid 17 and name HE% )
3.500 1.500 1.500 peak 73 spectrum 3 weight 0.11000E+01 volume 0.11420E-02 ppm1 0.660 ppm2 6.735 CV 1
ASSI { 74}
( segid "FecA" and resid 50 and name HD2%)
( segid "FecA" and resid 23 and name HE% )
3.600 1.600 1.600 peak 74 spectrum 3 weight 0.11000E+01 volume 0.14698E-02 ppm1 0.662 ppm2 6.569 CV 1
ASSI { 75}
( segid "FecA" and resid 46 and name HG2%)
( segid "FecA" and resid 17 and name HE% )
2.800 1.000 1.000 peak 75 spectrum 3 weight 0.11000E+01 volume 0.30733E-02 ppm1 0.856 ppm2 6.734 CV 1
ASSI { 76}
( segid "FecA" and resid 25 and name HD1%)
( segid "FecA" and resid 23 and name HE% )
3.400 1.400 1.400 peak 76 spectrum 3 weight 0.11000E+01 volume 0.12202E-02 ppm1 0.872 ppm2 6.570 CV 1
ASSI { 77}
( segid "FecA" and resid 25 and name HD2%)
( segid "FecA" and resid 23 and name HE% )
2.800 2.800 3.200 peak 77 spectrum 3 weight 0.11000E+01 volume 0.27903E-02 ppm1 0.922 ppm2 6.569 CV 1
ASSI { 78}
( segid "FecA" and resid 18 and name HB% )
( segid "FecA" and resid 23 and name HE% )
3.200 1.300 1.300 peak 78 spectrum 3 weight 0.11000E+01 volume 0.17315E-02 ppm1 1.027 ppm2 6.567 CV 1
ASSI { 79}
(( segid "FecA" and resid 50 and name HG ))
( segid "FecA" and resid 17 and name HE% )
2.800 2.800 3.200 peak 79 spectrum 3 weight 0.11000E+01 volume 0.34212E-02 ppm1 1.419 ppm2 6.736 CV 1
ASSI { 80}
(( segid "FecA" and resid 25 and name HG ))
( segid "FecA" and resid 23 and name HE% )
2.800 1.000 1.000 peak 80 spectrum 3 weight 0.11000E+01 volume 0.25758E-02 ppm1 1.539 ppm2 6.569 CV 1
ASSI { 81}
(( segid "FecA" and resid 18 and name HA ))
( segid "FecA" and resid 23 and name HE% )
3.000 1.100 1.100 peak 81 spectrum 3 weight 0.11000E+01 volume 0.19020E-02 ppm1 2.125 ppm2 6.569 CV 1
ASSI { 82}
(( segid "FecA" and resid 21 and name HB2 ))
( segid "FecA" and resid 23 and name HE% )
3.100 1.200 1.200 peak 82 spectrum 3 weight 0.11000E+01 volume 0.19820E-02 ppm1 3.894 ppm2 6.568 CV 1
ASSI { 83}
(( segid "FecA" and resid 40 and name HA ))
( segid "FecA" and resid 44 and name HE% )
4.300 4.300 1.700 peak 83 spectrum 3 weight 0.11000E+01 volume 0.78041E-03 ppm1 4.346 ppm2 6.516 CV 1
ASSI { 84}
(( segid "FecA" and resid 42 and name HA2 ))
( segid "FecA" and resid 44 and name HE% )
4.500 2.500 1.500 peak 84 spectrum 3 weight 0.11000E+01 volume 0.14736E-02 ppm1 4.380 ppm2 6.512 CV 1
ASSI { 86}
(( segid "FecA" and resid 41 and name HA ))
(( segid "FecA" and resid 41 and name HD2 ))
4.300 2.400 1.700 peak 86 spectrum 3 weight 0.11000E+01 volume 0.26622E-03 ppm1 5.475 ppm2 7.237 CV 1
ASSI { 87}
(( segid "FecA" and resid 4 and name HA ))
(( segid "FecA" and resid 41 and name HD2 ))
4.600 2.700 1.400 peak 87 spectrum 3 weight 0.11000E+01 volume 0.18605E-03 ppm1 5.197 ppm2 7.240 CV 1
ASSI { 88}
(( segid "FecA" and resid 40 and name HG ))
( segid "FecA" and resid 44 and name HE% )
3.800 1.800 1.800 peak 88 spectrum 3 weight 0.11000E+01 volume 0.53873E-03 ppm1 0.844 ppm2 6.511 CV 1
ASSI { 31}
(( segid "FecA" and resid 28 and name HN ))
( segid "FecA" and resid 29 and name HB% )
5.500 3.800 0.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.21901E-03 ppm1 8.242 ppm2 1.533 CV 1
OR { 31}
(( segid "FecA" and resid 28 and name HN ))
(( segid "FecA" and resid 31 and name HB1 ))
ASSI { 163}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 42 and name HN ))
4.000 2.000 2.000 peak 163 spectrum 1 weight 0.11000E+01 volume 0.76919E-03 ppm1 8.959 ppm2 8.428 CV 1
OR { 163}
(( segid "FecA" and resid 41 and name HN ))
(( segid "FecA" and resid 40 and name HN ))
ASSI { 134}
( segid "FecA" and resid 27 and name HG1%)
(( segid "FecA" and resid 31 and name HB1 ))
3.000 1.200 1.200 peak 134 spectrum 2 weight 0.10000E+01 volume 0.20692E-02 ppm1 0.793 ppm2 1.533 CV 1
OR { 134}
( segid "FecA" and resid 32 and name HG2%)
(( segid "FecA" and resid 31 and name HB1 ))
Contact the webmaster for help, if required. Thursday, May 9, 2024 11:11:52 PM GMT (wattos1)