NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
645557 |
6r28   |
34380 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: ambig.tbl
ASSI { 13}
(( segid " " and resid 11 and name H ))
( segid " " and resid 6 and name HG1%)
3.700 1.700 1.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.33387E-03 ppm1 7.672 ppm2 0.703 CV 1
OR { 13}
(( segid " " and resid 11 and name H ))
( segid " " and resid 3 and name HG2%)
ASSI { 19}
(( segid " " and resid 11 and name HZ2 ))
(( segid " " and resid 8 and name HD3 ))
3.600 3.600 2.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.39380E-03 ppm1 7.317 ppm2 2.646 CV 1
OR { 19}
(( segid " " and resid 11 and name HZ2 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 22}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 8 and name HD3 ))
2.600 2.600 3.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.25564E-02 ppm1 6.951 ppm2 2.661 CV 1
OR { 22}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 15 and name HB3 ))
OR { 22}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 8 and name HD3 ))
OR { 22}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 23}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 15 and name HB2 ))
2.900 2.900 3.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.14138E-02 ppm1 6.950 ppm2 2.521 CV 1
OR { 23}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 10 and name HB2 ))
ASSI { 26}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 12 and name HB2 ))
3.400 3.400 2.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.58348E-03 ppm1 6.954 ppm2 1.830 CV 1
OR { 26}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 9 and name HB2 ))
ASSI { 29}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 12 and name HG2 ))
3.400 1.500 1.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.51296E-03 ppm1 7.088 ppm2 1.490 CV 1
OR { 29}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 8 and name HB2 ))
ASSI { 32}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 8 and name HD3 ))
3.400 3.400 2.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.56935E-03 ppm1 7.089 ppm2 2.650 CV 1
OR { 32}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 15 and name HB3 ))
OR { 32}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 15 and name HB3 ))
ASSI { 33}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 15 and name HB2 ))
3.600 3.600 2.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.38749E-03 ppm1 7.087 ppm2 2.528 CV 1
OR { 33}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 15 and name HB2 ))
ASSI { 35}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HA ))
2.400 0.700 0.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.43193E-02 ppm1 7.733 ppm2 4.526 CV 1
OR { 35}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 7 and name HA ))
ASSI { 48}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 8 and name HB2 ))
3.400 3.400 2.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.53050E-03 ppm1 6.718 ppm2 1.475 CV 1
OR { 48}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 16 and name HB3 ))
ASSI { 51}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 14 and name HB2 ))
3.100 3.100 2.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.88934E-03 ppm1 6.713 ppm2 3.119 CV 1
OR { 51}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 11 and name HB2 ))
ASSI { 53}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 14 and name HB2 ))
3.700 1.800 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.29967E-03 ppm1 6.536 ppm2 3.118 CV 1
OR { 53}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 11 and name HB2 ))
ASSI { 54}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 11 and name HB3 ))
3.300 3.300 2.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.59804E-03 ppm1 6.540 ppm2 3.004 CV 1
OR { 54}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 7 and name HB3 ))
ASSI { 58}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 11 and name HH2 ))
3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.77984E-03 ppm1 6.713 ppm2 7.098 CV 1
OR { 58}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 14 and name HD1 ))
ASSI { 61}
(( segid " " and resid 7 and name HD2 ))
( segid " " and resid 6 and name HG1%)
2.700 2.700 3.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 6.855 ppm2 0.702 CV 1
OR { 61}
(( segid " " and resid 5 and name HD2 ))
( segid " " and resid 6 and name HG1%)
ASSI { 63}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HD3 ))
3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.12310E-02 ppm1 6.855 ppm2 2.646 CV 1
OR { 63}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HG2 ))
ASSI { 70}
(( segid " " and resid 5 and name HB2 ))
( segid " " and resid 6 and name HG2%)
3.000 3.000 3.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10800E-02 ppm1 2.949 ppm2 0.724 CV 1
OR { 70}
(( segid " " and resid 5 and name HB2 ))
( segid " " and resid 3 and name HG2%)
ASSI { 71}
(( segid " " and resid 5 and name HB3 ))
( segid " " and resid 6 and name HG2%)
3.300 1.400 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.59380E-03 ppm1 2.923 ppm2 0.724 CV 1
OR { 71}
(( segid " " and resid 5 and name HB3 ))
( segid " " and resid 3 and name HG2%)
ASSI { 72}
(( segid " " and resid 7 and name HB2 ))
( segid " " and resid 6 and name HG1%)
3.100 1.200 1.200 peak 72 spectrum 1 weight 0.10000E+01 volume 0.87624E-03 ppm1 2.962 ppm2 0.701 CV 1
OR { 72}
(( segid " " and resid 5 and name HB2 ))
( segid " " and resid 3 and name HG2%)
ASSI { 74}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 6 and name HG2%)
3.700 3.700 2.300 peak 74 spectrum 1 weight 0.10000E+01 volume 0.32019E-03 ppm1 2.547 ppm2 0.727 CV 1
OR { 74}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 6 and name HG2%)
ASSI { 76}
(( segid " " and resid 4 and name HG2 ))
( segid " " and resid 3 and name HG2%)
3.400 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.55352E-03 ppm1 2.638 ppm2 0.704 CV 1
OR { 76}
(( segid " " and resid 4 and name HG2 ))
( segid " " and resid 6 and name HG1%)
ASSI { 78}
(( segid " " and resid 4 and name HG1 ))
( segid " " and resid 3 and name HG2%)
3.400 3.400 2.600 peak 78 spectrum 1 weight 0.10000E+01 volume 0.53932E-03 ppm1 2.492 ppm2 0.705 CV 1
OR { 78}
(( segid " " and resid 4 and name HG1 ))
( segid " " and resid 6 and name HG1%)
OR { 78}
(( segid " " and resid 8 and name HD2 ))
( segid " " and resid 6 and name HG1%)
ASSI { 81}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HA ))
3.200 1.300 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.76143E-03 ppm1 3.902 ppm2 4.536 CV 1
OR { 81}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HA ))
ASSI { 82}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB2 ))
3.300 1.400 1.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.58762E-03 ppm1 3.902 ppm2 2.944 CV 1
OR { 82}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 90}
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 3 and name HD1%)
3.900 1.900 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.23376E-03 ppm1 3.537 ppm2 0.715 CV 1
OR { 90}
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 3 and name HG2%)
OR { 90}
(( segid " " and resid 9 and name HD2 ))
( segid " " and resid 6 and name HG2%)
ASSI { 91}
(( segid " " and resid 9 and name HD3 ))
( segid " " and resid 3 and name HD1%)
3.800 1.800 1.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.28584E-03 ppm1 3.479 ppm2 0.718 CV 1
OR { 91}
(( segid " " and resid 9 and name HD3 ))
( segid " " and resid 3 and name HG2%)
OR { 91}
(( segid " " and resid 9 and name HD3 ))
( segid " " and resid 6 and name HG2%)
ASSI { 94}
( segid " " and resid 6 and name HG1%)
(( segid " " and resid 7 and name HA ))
2.900 2.900 3.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 0.695 ppm2 4.536 CV 1
OR { 94}
( segid " " and resid 6 and name HG1%)
(( segid " " and resid 5 and name HA ))
ASSI { 96}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 7 and name HA ))
3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.24125E-03 ppm1 9.831 ppm2 4.529 CV 1
OR { 96}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HA ))
ASSI { 101}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 1 and name HG3 ))
3.600 3.600 2.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.36342E-03 ppm1 6.951 ppm2 1.952 CV 1
OR { 101}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 103}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 12 and name HG3 ))
3.900 1.900 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.24576E-03 ppm1 6.535 ppm2 1.662 CV 1
OR { 103}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 16 and name HB2 ))
ASSI { 105}
(( segid " " and resid 6 and name H ))
( segid " " and resid 3 and name HG2%)
3.000 1.100 1.100 peak 105 spectrum 1 weight 0.10000E+01 volume 0.12358E-02 ppm1 7.979 ppm2 0.693 CV 1
OR { 105}
(( segid " " and resid 6 and name H ))
( segid " " and resid 6 and name HG1%)
ASSI { 461}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 9 and name HD3 ))
3.300 3.300 2.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.61122E-03 ppm1 0.739 ppm2 3.480 CV 1
OR { 461}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 9 and name HD3 ))
# Restraints file 2: D_1292101294_mr_P1.cns.V3
ASSI { 1}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HG3 ))
3.200 1.300 1.300 peak 1 spectrum 1 weight 0.10000E+01 volume 0.71596E-03 ppm1 6.856 ppm2 0.989 CV 1
ASSI { 2}
(( segid " " and resid 11 and name HD1 ))
( segid " " and resid 6 and name HG1%)
3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 6.948 ppm2 0.710 CV 1
ASSI { 3}
(( segid " " and resid 14 and name HD1 ))
( segid " " and resid 6 and name HG2%)
3.400 3.400 2.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.53356E-03 ppm1 7.104 ppm2 0.713 CV 1
OR { 3}
(( segid " " and resid 14 and name HD1 ))
( segid " " and resid 6 and name HG1%)
ASSI { 4}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 2 and name HB3 ))
3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.40293E-03 ppm1 8.239 ppm2 3.735 CV 1
OR { 4}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 5}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 3 and name HG13))
3.400 1.500 1.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.52492E-03 ppm1 8.238 ppm2 1.302 CV 1
ASSI { 6}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 3 and name HG12))
3.300 1.400 1.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.64681E-03 ppm1 8.237 ppm2 1.044 CV 1
ASSI { 7}
(( segid " " and resid 3 and name H ))
( segid " " and resid 3 and name HG2%)
3.400 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.55762E-03 ppm1 8.240 ppm2 0.709 CV 1
ASSI { 8}
(( segid " " and resid 5 and name H ))
( segid " " and resid 3 and name HG2%)
2.800 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.19107E-02 ppm1 7.782 ppm2 0.709 CV 1
ASSI { 9}
(( segid " " and resid 4 and name H ))
( segid " " and resid 3 and name HG2%)
2.900 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 8.294 ppm2 0.707 CV 1
ASSI { 10}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HA ))
2.400 2.400 3.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.42475E-02 ppm1 6.853 ppm2 4.530 CV 1
ASSI { 11}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 12 and name HB2 ))
3.000 1.100 1.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 7.737 ppm2 1.832 CV 1
ASSI { 12}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 12 and name HB3 ))
3.400 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.58693E-03 ppm1 7.736 ppm2 1.165 CV 1
ASSI { 15}
(( segid " " and resid 11 and name HH2 ))
( segid " " and resid 15 and name HD% )
3.400 1.500 1.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.53197E-03 ppm1 7.084 ppm2 6.713 CV 1
ASSI { 16}
(( segid " " and resid 11 and name HH2 ))
( segid " " and resid 6 and name HG1%)
3.200 1.300 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.73695E-03 ppm1 7.089 ppm2 0.710 CV 1
ASSI { 17}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.68870E-03 ppm1 7.335 ppm2 0.989 CV 1
ASSI { 18}
(( segid " " and resid 11 and name HE3 ))
( segid " " and resid 6 and name HG1%)
3.100 3.100 2.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.96223E-03 ppm1 7.348 ppm2 0.708 CV 1
ASSI { 20}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 8 and name HD2 ))
3.300 1.300 1.300 peak 20 spectrum 1 weight 0.10000E+01 volume 0.66539E-03 ppm1 7.343 ppm2 2.489 CV 1
ASSI { 21}
(( segid " " and resid 11 and name HZ2 ))
(( segid " " and resid 8 and name HD2 ))
3.500 3.500 2.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.42231E-03 ppm1 7.318 ppm2 2.489 CV 1
ASSI { 24}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 8 and name HD2 ))
2.900 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13929E-02 ppm1 6.950 ppm2 2.496 CV 1
OR { 24}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 8 and name HD2 ))
ASSI { 25}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 6 and name HB ))
3.300 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.59079E-03 ppm1 6.953 ppm2 1.883 CV 1
ASSI { 27}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 12 and name HG3 ))
3.500 3.500 2.500 peak 27 spectrum 1 weight 0.10000E+01 volume 0.47719E-03 ppm1 6.952 ppm2 1.644 CV 1
OR { 27}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 12 and name HG3 ))
ASSI { 28}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 8 and name HB2 ))
2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20434E-02 ppm1 6.950 ppm2 1.487 CV 1
ASSI { 30}
(( segid " " and resid 14 and name HZ2 ))
(( segid " " and resid 1 and name HB3 ))
3.500 3.500 2.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.46364E-03 ppm1 7.345 ppm2 1.911 CV 1
ASSI { 31}
(( segid " " and resid 14 and name HZ2 ))
(( segid " " and resid 12 and name HB2 ))
3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.73372E-03 ppm1 7.345 ppm2 1.838 CV 1
ASSI { 34}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 8 and name HD2 ))
3.600 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.39741E-03 ppm1 7.087 ppm2 2.488 CV 1
ASSI { 36}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 11 and name HE3 ))
3.400 3.400 2.600 peak 36 spectrum 1 weight 0.10000E+01 volume 0.51567E-03 ppm1 7.737 ppm2 7.347 CV 1
ASSI { 37}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 16 and name HD3 ))
3.200 3.200 2.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.83930E-03 ppm1 7.108 ppm2 2.988 CV 1
ASSI { 40}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 12 and name HB2 ))
3.500 3.500 2.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.46002E-03 ppm1 7.088 ppm2 1.838 CV 1
ASSI { 41}
(( segid " " and resid 14 and name HH2 ))
(( segid " " and resid 12 and name HG3 ))
3.600 1.700 1.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.35122E-03 ppm1 7.086 ppm2 1.649 CV 1
ASSI { 42}
(( segid " " and resid 14 and name HZ3 ))
(( segid " " and resid 16 and name HD3 ))
3.200 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.72296E-03 ppm1 7.029 ppm2 3.005 CV 1
ASSI { 43}
(( segid " " and resid 14 and name HZ3 ))
(( segid " " and resid 15 and name HA ))
3.500 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.43272E-03 ppm1 7.027 ppm2 4.353 CV 1
ASSI { 45}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 16 and name HD3 ))
3.600 1.600 1.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.38022E-03 ppm1 7.442 ppm2 2.992 CV 1
ASSI { 46}
( segid " " and resid 15 and name HD% )
( segid " " and resid 6 and name HG1%)
3.400 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.53974E-03 ppm1 6.714 ppm2 0.715 CV 1
ASSI { 47}
( segid " " and resid 15 and name HE% )
( segid " " and resid 6 and name HG1%)
3.400 1.500 1.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.49601E-03 ppm1 6.539 ppm2 0.710 CV 1
ASSI { 49}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 12 and name HG2 ))
3.600 3.600 2.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.36606E-03 ppm1 6.540 ppm2 1.500 CV 1
ASSI { 50}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HG3 ))
3.400 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.57185E-03 ppm1 6.722 ppm2 1.654 CV 1
ASSI { 52}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HD2 ))
3.100 1.200 1.200 peak 52 spectrum 1 weight 0.10000E+01 volume 0.90905E-03 ppm1 6.713 ppm2 3.011 CV 1
ASSI { 55}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 13 and name HB2 ))
3.400 1.500 1.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.51294E-03 ppm1 6.539 ppm2 2.858 CV 1
OR { 55}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 13 and name HB3 ))
ASSI { 56}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 11 and name HZ2 ))
3.400 1.400 1.400 peak 56 spectrum 1 weight 0.10000E+01 volume 0.53984E-03 ppm1 6.538 ppm2 7.335 CV 1
OR { 56}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 11 and name HE3 ))
ASSI { 57}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 11 and name HE3 ))
3.100 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.93429E-03 ppm1 6.712 ppm2 7.342 CV 1
ASSI { 59}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 11 and name HH2 ))
3.400 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.57187E-03 ppm1 6.539 ppm2 7.100 CV 1
ASSI { 60}
(( segid " " and resid 5 and name HD2 ))
( segid " " and resid 6 and name HG2%)
2.700 2.700 3.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.22086E-02 ppm1 6.854 ppm2 0.725 CV 1
ASSI { 62}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
3.300 1.400 1.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.59834E-03 ppm1 6.854 ppm2 1.482 CV 1
ASSI { 64}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 13 and name HB2 ))
3.100 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.90065E-03 ppm1 6.853 ppm2 2.861 CV 1
OR { 64}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 66}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HA ))
3.300 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.60089E-03 ppm1 6.854 ppm2 4.401 CV 1
ASSI { 67}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 11 and name HZ2 ))
2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.18565E-02 ppm1 6.857 ppm2 7.336 CV 1
ASSI { 68}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 7 and name HD2 ))
3.400 3.400 2.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.56897E-03 ppm1 7.347 ppm2 6.860 CV 1
ASSI { 69}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 12 and name HA ))
3.200 1.300 1.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.73409E-03 ppm1 7.737 ppm2 4.252 CV 1
ASSI { 73}
(( segid " " and resid 4 and name HG2 ))
( segid " " and resid 6 and name HG2%)
3.600 1.700 1.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.35360E-03 ppm1 2.637 ppm2 0.730 CV 1
ASSI { 75}
(( segid " " and resid 4 and name HG1 ))
( segid " " and resid 6 and name HG2%)
3.600 1.600 1.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.36917E-03 ppm1 2.493 ppm2 0.730 CV 1
ASSI { 77}
(( segid " " and resid 15 and name HB2 ))
( segid " " and resid 6 and name HG1%)
3.700 1.700 1.700 peak 77 spectrum 1 weight 0.10000E+01 volume 0.32429E-03 ppm1 2.545 ppm2 0.704 CV 1
ASSI { 79}
(( segid " " and resid 3 and name HG12))
( segid " " and resid 3 and name HD1%)
1.900 0.400 0.400 peak 79 spectrum 1 weight 0.10000E+01 volume 0.18364E-01 ppm1 1.043 ppm2 0.729 CV 1
ASSI { 80}
(( segid " " and resid 3 and name HG13))
( segid " " and resid 3 and name HD1%)
2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.49235E-02 ppm1 1.311 ppm2 0.729 CV 1
ASSI { 83}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 7 and name HB3 ))
3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.34328E-03 ppm1 3.904 ppm2 2.998 CV 1
ASSI { 86}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HD2 ))
3.100 3.100 2.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.95414E-03 ppm1 2.652 ppm2 3.014 CV 1
ASSI { 87}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
3.000 1.200 1.200 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 2.544 ppm2 3.017 CV 1
ASSI { 88}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 15 and name HB3 ))
2.900 1.100 1.100 peak 88 spectrum 1 weight 0.10000E+01 volume 0.13681E-02 ppm1 3.002 ppm2 2.655 CV 1
ASSI { 89}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 8 and name HG2 ))
3.200 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.82162E-03 ppm1 2.968 ppm2 1.112 CV 1
ASSI { 92}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 2 and name HB2 ))
3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.25395E-03 ppm1 2.859 ppm2 3.727 CV 1
OR { 92}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 2 and name HB3 ))
OR { 92}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 93}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 5 and name HA ))
2.900 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14121E-02 ppm1 0.730 ppm2 4.534 CV 1
ASSI { 98}
(( segid " " and resid 11 and name HE1 ))
( segid " " and resid 6 and name HG1%)
3.500 1.600 1.600 peak 98 spectrum 1 weight 0.10000E+01 volume 0.41875E-03 ppm1 9.832 ppm2 0.717 CV 1
ASSI { 104}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.25423E-03 ppm1 6.709 ppm2 1.849 CV 1
ASSI { 107}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HD3 ))
2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.21871E-02 ppm1 1.381 ppm2 2.981 CV 1
OR { 107}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HD3 ))
ASSI { 108}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HD1 ))
3.300 1.400 1.400 peak 108 spectrum 1 weight 0.10000E+01 volume 0.62827E-03 ppm1 7.734 ppm2 7.100 CV 1
ASSI { 109}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HB2 ))
2.200 0.600 0.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.67693E-02 ppm1 1.169 ppm2 1.829 CV 1
ASSI { 111}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HB3 ))
2.300 0.600 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.62365E-02 ppm1 7.110 ppm2 3.229 CV 1
ASSI { 112}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 12 and name HB2 ))
3.100 1.200 1.200 peak 112 spectrum 1 weight 0.10000E+01 volume 0.95642E-03 ppm1 7.109 ppm2 1.831 CV 1
ASSI { 114}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 12 and name HB3 ))
3.300 1.300 1.300 peak 114 spectrum 1 weight 0.10000E+01 volume 0.68975E-03 ppm1 10.117 ppm2 1.168 CV 1
ASSI { 115}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HB2 ))
2.400 0.700 0.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.41802E-02 ppm1 7.440 ppm2 3.137 CV 1
ASSI { 116}
(( segid " " and resid 13 and name H ))
(( segid " " and resid 13 and name HB3 ))
3.500 1.500 1.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.45062E-03 ppm1 8.518 ppm2 2.857 CV 1
ASSI { 117}
(( segid " " and resid 6 and name H ))
(( segid " " and resid 5 and name HA ))
2.500 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.30798E-02 ppm1 7.980 ppm2 4.543 CV 1
ASSI { 118}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 3 and name HG13))
3.600 1.600 1.600 peak 118 spectrum 1 weight 0.10000E+01 volume 0.39687E-03 ppm1 8.292 ppm2 1.302 CV 1
ASSI { 119}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HB2 ))
2.200 2.200 3.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.72455E-02 ppm1 7.109 ppm2 3.137 CV 1
ASSI { 120}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HB3 ))
2.500 2.500 3.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.37799E-02 ppm1 7.440 ppm2 3.227 CV 1
ASSI { 121}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 13 and name HB3 ))
3.700 3.700 2.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.33412E-03 ppm1 3.740 ppm2 2.862 CV 1
OR { 121}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 122}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG3 ))
2.600 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.24048E-02 ppm1 1.501 ppm2 0.990 CV 1
ASSI { 123}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 13 and name HB3 ))
3.900 1.900 1.900 peak 123 spectrum 1 weight 0.10000E+01 volume 0.23307E-03 ppm1 3.720 ppm2 2.860 CV 1
OR { 123}
(( segid " " and resid 2 and name HB3 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 124}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 9 and name HD3 ))
3.400 1.400 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.54489E-03 ppm1 7.737 ppm2 3.481 CV 1
ASSI { 125}
(( segid " " and resid 1 and name HD3 ))
(( segid " " and resid 1 and name HB3 ))
3.600 1.600 1.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.36469E-03 ppm1 3.747 ppm2 1.894 CV 1
ASSI { 126}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 12 and name HG3 ))
3.300 3.300 2.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.63662E-03 ppm1 7.343 ppm2 1.646 CV 1
ASSI { 128}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HG2 ))
2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.20371E-02 ppm1 1.492 ppm2 1.117 CV 1
ASSI { 129}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 11 and name HA ))
2.300 0.700 0.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.53761E-02 ppm1 3.019 ppm2 4.912 CV 1
ASSI { 130}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HB3 ))
2.500 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.33695E-02 ppm1 1.504 ppm2 1.168 CV 1
ASSI { 132}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
3.200 1.300 1.300 peak 132 spectrum 1 weight 0.10000E+01 volume 0.80442E-03 ppm1 2.499 ppm2 1.321 CV 1
ASSI { 134}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HB3 ))
2.900 1.000 1.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 1.647 ppm2 1.169 CV 1
ASSI { 136}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.89826E-03 ppm1 2.634 ppm2 1.323 CV 1
ASSI { 138}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 14 and name HA ))
2.600 2.600 3.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.29728E-02 ppm1 7.109 ppm2 4.629 CV 1
ASSI { 139}
( segid " " and resid 6 and name HG1%)
(( segid " " and resid 6 and name HB ))
2.000 0.500 0.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.13684E-01 ppm1 0.695 ppm2 1.868 CV 1
ASSI { 140}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 6 and name HG1%)
3.600 1.700 1.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.35528E-03 ppm1 4.477 ppm2 0.702 CV 1
ASSI { 141}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HG1 ))
2.600 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.28609E-02 ppm1 4.404 ppm2 2.483 CV 1
ASSI { 142}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 11 and name HB3 ))
3.600 3.600 2.400 peak 142 spectrum 1 weight 0.10000E+01 volume 0.36871E-03 ppm1 8.609 ppm2 2.987 CV 1
ASSI { 144}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 8 and name HG2 ))
4.000 2.000 2.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.21668E-03 ppm1 8.604 ppm2 1.114 CV 1
ASSI { 145}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HD2 ))
2.300 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.52592E-02 ppm1 1.864 ppm2 3.542 CV 1
ASSI { 146}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 10 and name HB3 ))
2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.20550E-02 ppm1 8.606 ppm2 2.670 CV 1
ASSI { 148}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HB3 ))
3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.93776E-03 ppm1 7.728 ppm2 3.230 CV 1
ASSI { 149}
( segid " " and resid 6 and name HG1%)
(( segid " " and resid 12 and name HA ))
3.300 3.300 2.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.67472E-03 ppm1 0.703 ppm2 4.252 CV 1
ASSI { 150}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 15 and name HB2 ))
3.300 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.62010E-03 ppm1 7.344 ppm2 2.529 CV 1
ASSI { 151}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HD3 ))
3.200 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.73910E-03 ppm1 8.607 ppm2 3.482 CV 1
ASSI { 152}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 6 and name HG2%)
3.200 1.300 1.300 peak 152 spectrum 1 weight 0.10000E+01 volume 0.72913E-03 ppm1 4.253 ppm2 0.733 CV 1
ASSI { 153}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 13 and name HA ))
2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.22283E-02 ppm1 7.729 ppm2 4.479 CV 1
ASSI { 154}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HD2 ))
2.800 1.000 1.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.17706E-02 ppm1 8.607 ppm2 3.542 CV 1
ASSI { 155}
(( segid " " and resid 7 and name HB3 ))
(( segid " " and resid 7 and name HA ))
2.200 0.600 0.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.81979E-02 ppm1 3.010 ppm2 4.526 CV 1
ASSI { 156}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HA ))
3.000 3.000 3.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10539E-02 ppm1 2.497 ppm2 4.534 CV 1
ASSI { 157}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HA ))
3.100 1.200 1.200 peak 157 spectrum 1 weight 0.10000E+01 volume 0.89924E-03 ppm1 7.725 ppm2 4.630 CV 1
ASSI { 158}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HA ))
3.000 3.000 3.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 2.980 ppm2 4.047 CV 1
ASSI { 159}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 10 and name HA ))
2.600 0.900 0.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.24468E-02 ppm1 8.607 ppm2 4.387 CV 1
ASSI { 160}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.400 1.400 peak 160 spectrum 1 weight 0.10000E+01 volume 0.64477E-03 ppm1 7.738 ppm2 0.988 CV 1
ASSI { 161}
(( segid " " and resid 6 and name HB ))
(( segid " " and resid 6 and name HA ))
2.600 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.29303E-02 ppm1 1.873 ppm2 3.903 CV 1
ASSI { 162}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 11 and name HB2 ))
3.300 1.400 1.400 peak 162 spectrum 1 weight 0.10000E+01 volume 0.61509E-03 ppm1 2.493 ppm2 3.105 CV 1
ASSI { 163}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HA ))
2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.38587E-02 ppm1 1.912 ppm2 4.403 CV 1
ASSI { 164}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB3 ))
3.400 1.400 1.400 peak 164 spectrum 1 weight 0.10000E+01 volume 0.54780E-03 ppm1 4.251 ppm2 2.859 CV 1
ASSI { 165}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 8 and name HD3 ))
3.100 1.200 1.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.99778E-03 ppm1 4.534 ppm2 2.643 CV 1
ASSI { 167}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 13 and name HB3 ))
3.100 1.200 1.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.85562E-03 ppm1 7.732 ppm2 2.860 CV 1
OR { 167}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 168}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 12 and name HD3 ))
3.900 3.900 2.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.24916E-03 ppm1 9.829 ppm2 3.452 CV 1
ASSI { 169}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HD3 ))
3.300 1.400 1.400 peak 169 spectrum 1 weight 0.10000E+01 volume 0.59951E-03 ppm1 7.737 ppm2 2.643 CV 1
ASSI { 170}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HB2 ))
3.600 1.600 1.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.38361E-03 ppm1 10.117 ppm2 3.133 CV 1
ASSI { 171}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HG2 ))
3.700 1.700 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.34703E-03 ppm1 4.913 ppm2 1.516 CV 1
ASSI { 172}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HD2 ))
4.100 2.100 1.900 peak 172 spectrum 1 weight 0.10000E+01 volume 0.17943E-03 ppm1 3.539 ppm2 2.489 CV 1
ASSI { 173}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 9 and name HD2 ))
3.600 1.700 1.700 peak 173 spectrum 1 weight 0.10000E+01 volume 0.35130E-03 ppm1 7.736 ppm2 3.544 CV 1
ASSI { 174}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 4 and name HG2 ))
2.400 0.700 0.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.42882E-02 ppm1 1.914 ppm2 2.641 CV 1
ASSI { 176}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 11 and name HB2 ))
4.000 2.000 2.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.19599E-03 ppm1 8.607 ppm2 3.110 CV 1
ASSI { 177}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HG2 ))
3.100 1.200 1.200 peak 177 spectrum 1 weight 0.10000E+01 volume 0.91425E-03 ppm1 7.738 ppm2 1.110 CV 1
ASSI { 178}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 11 and name HA ))
3.500 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.45447E-03 ppm1 4.384 ppm2 4.920 CV 1
ASSI { 179}
(( segid " " and resid 16 and name H ))
(( segid " " and resid 16 and name HA ))
3.000 1.200 1.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 7.962 ppm2 4.047 CV 1
ASSI { 180}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HB3 ))
2.900 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.14204E-02 ppm1 7.737 ppm2 1.322 CV 1
ASSI { 181}
(( segid " " and resid 4 and name HG1 ))
(( segid " " and resid 4 and name HB2 ))
2.500 0.800 0.800 peak 181 spectrum 1 weight 0.10000E+01 volume 0.38194E-02 ppm1 2.493 ppm2 1.914 CV 1
ASSI { 182}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 11 and name HB3 ))
3.500 1.600 1.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.42110E-03 ppm1 0.989 ppm2 2.973 CV 1
ASSI { 184}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 6 and name HB ))
1.900 0.500 0.500 peak 184 spectrum 1 weight 0.10000E+01 volume 0.15439E-01 ppm1 0.738 ppm2 1.868 CV 1
ASSI { 185}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.86234E-03 ppm1 7.736 ppm2 1.484 CV 1
ASSI { 186}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name H ))
3.100 1.200 1.200 peak 186 spectrum 1 weight 0.10000E+01 volume 0.88932E-03 ppm1 6.713 ppm2 7.634 CV 1
ASSI { 187}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 8 and name HD2 ))
3.400 1.400 1.400 peak 187 spectrum 1 weight 0.10000E+01 volume 0.55287E-03 ppm1 7.736 ppm2 2.491 CV 1
ASSI { 188}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HB3 ))
3.200 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.71120E-03 ppm1 8.606 ppm2 2.137 CV 1
ASSI { 189}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 3 and name HB ))
3.700 1.700 1.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.30787E-03 ppm1 7.781 ppm2 1.690 CV 1
ASSI { 190}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 14 and name HA ))
3.500 1.600 1.600 peak 190 spectrum 1 weight 0.10000E+01 volume 0.43387E-03 ppm1 6.714 ppm2 4.630 CV 1
ASSI { 191}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HA ))
2.300 2.300 3.700 peak 191 spectrum 1 weight 0.10000E+01 volume 0.52385E-02 ppm1 6.713 ppm2 4.352 CV 1
ASSI { 192}
(( segid " " and resid 4 and name HG1 ))
(( segid " " and resid 4 and name HB1 ))
2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.40577E-02 ppm1 2.493 ppm2 1.963 CV 1
ASSI { 194}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HD2 ))
4.200 2.200 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.14927E-03 ppm1 3.488 ppm2 2.488 CV 1
ASSI { 195}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 4 and name HB1 ))
3.700 3.700 2.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.34308E-03 ppm1 4.476 ppm2 1.967 CV 1
ASSI { 196}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 13 and name HB3 ))
3.700 1.700 1.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.30779E-03 ppm1 7.783 ppm2 2.857 CV 1
OR { 196}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 197}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 16 and name HA ))
2.800 2.800 3.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.16233E-02 ppm1 6.720 ppm2 4.048 CV 1
ASSI { 198}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG2 ))
2.700 0.900 0.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.22680E-02 ppm1 2.499 ppm2 1.110 CV 1
ASSI { 199}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HB2 ))
2.200 0.600 0.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.81584E-02 ppm1 6.714 ppm2 2.537 CV 1
ASSI { 200}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 12 and name HG2 ))
3.400 3.400 2.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.56134E-03 ppm1 7.108 ppm2 1.500 CV 1
ASSI { 201}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HG2 ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.19618E-02 ppm1 2.634 ppm2 1.111 CV 1
ASSI { 203}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 6 and name HG2%)
3.200 3.200 2.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.71390E-03 ppm1 3.001 ppm2 0.728 CV 1
ASSI { 204}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HG3 ))
2.800 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 2.500 ppm2 0.990 CV 1
ASSI { 205}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 12 and name HG3 ))
3.400 1.500 1.500 peak 205 spectrum 1 weight 0.10000E+01 volume 0.50406E-03 ppm1 7.106 ppm2 1.645 CV 1
ASSI { 207}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 8 and name HG2 ))
3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.32878E-03 ppm1 7.673 ppm2 1.111 CV 1
ASSI { 208}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 6 and name HB ))
3.900 1.900 1.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.22881E-03 ppm1 7.784 ppm2 1.869 CV 1
ASSI { 209}
(( segid " " and resid 8 and name HD3 ))
(( segid " " and resid 8 and name HB2 ))
2.900 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.14458E-02 ppm1 2.639 ppm2 1.490 CV 1
ASSI { 210}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HB3 ))
2.200 2.200 3.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.73751E-02 ppm1 7.672 ppm2 2.986 CV 1
ASSI { 211}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 15 and name HB3 ))
2.100 0.600 0.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.88228E-02 ppm1 6.712 ppm2 2.658 CV 1
ASSI { 213}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 3 and name HB ))
3.100 1.200 1.200 peak 213 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 8.239 ppm2 1.698 CV 1
ASSI { 214}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD2 ))
3.200 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.71116E-03 ppm1 1.163 ppm2 3.022 CV 1
ASSI { 215}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HB3 ))
3.700 1.700 1.700 peak 215 spectrum 1 weight 0.10000E+01 volume 0.34228E-03 ppm1 2.535 ppm2 1.169 CV 1
ASSI { 216}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 8 and name HB2 ))
3.000 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.11928E-02 ppm1 7.672 ppm2 1.486 CV 1
ASSI { 217}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HD2 ))
2.600 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.27180E-02 ppm1 1.503 ppm2 3.021 CV 1
ASSI { 218}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 13 and name HA ))
3.300 1.400 1.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.65347E-03 ppm1 7.109 ppm2 4.477 CV 1
ASSI { 219}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 11 and name HA ))
2.300 0.600 0.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.62252E-02 ppm1 3.454 ppm2 4.912 CV 1
ASSI { 221}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 9 and name HB2 ))
3.500 3.500 2.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.47183E-03 ppm1 7.671 ppm2 1.829 CV 1
ASSI { 222}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 11 and name HZ2 ))
2.300 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.52647E-02 ppm1 9.832 ppm2 7.325 CV 1
ASSI { 223}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 13 and name HB3 ))
3.100 1.200 1.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.93242E-03 ppm1 7.109 ppm2 2.857 CV 1
OR { 223}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 224}
(( segid " " and resid 4 and name HB1 ))
(( segid " " and resid 4 and name HG2 ))
2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.47175E-02 ppm1 1.955 ppm2 2.641 CV 1
ASSI { 225}
(( segid " " and resid 16 and name HD3 ))
(( segid " " and resid 16 and name HB2 ))
2.700 0.900 0.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19483E-02 ppm1 2.987 ppm2 1.657 CV 1
ASSI { 226}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HD3 ))
3.700 1.700 1.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.33632E-03 ppm1 6.708 ppm2 3.452 CV 1
ASSI { 227}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HB2 ))
2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.42355E-02 ppm1 7.672 ppm2 3.110 CV 1
ASSI { 229}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 9 and name HB3 ))
2.800 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.15886E-02 ppm1 3.487 ppm2 2.136 CV 1
ASSI { 230}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HG3 ))
2.600 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.28454E-02 ppm1 3.450 ppm2 1.641 CV 1
ASSI { 231}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 12 and name HD3 ))
3.000 3.000 3.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.12282E-02 ppm1 7.673 ppm2 3.457 CV 1
ASSI { 233}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 8 and name HA ))
3.500 1.600 1.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.43164E-03 ppm1 7.671 ppm2 4.533 CV 1
ASSI { 234}
(( segid " " and resid 16 and name H ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16050E-02 ppm1 7.955 ppm2 4.352 CV 1
ASSI { 235}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 11 and name HD1 ))
2.000 0.500 0.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.14575E-01 ppm1 9.833 ppm2 6.952 CV 1
ASSI { 236}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 8 and name HB3 ))
3.300 1.400 1.400 peak 236 spectrum 1 weight 0.10000E+01 volume 0.62550E-03 ppm1 8.607 ppm2 1.324 CV 1
ASSI { 237}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 9 and name HD2 ))
3.800 1.800 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.27324E-03 ppm1 7.671 ppm2 3.541 CV 1
ASSI { 239}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 11 and name HB3 ))
2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.45562E-02 ppm1 7.342 ppm2 2.987 CV 1
ASSI { 240}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HA ))
2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.31745E-02 ppm1 1.836 ppm2 4.178 CV 1
ASSI { 241}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HG2 ))
4.100 2.100 1.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17921E-03 ppm1 9.828 ppm2 1.109 CV 1
ASSI { 242}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HB3 ))
2.300 0.700 0.700 peak 242 spectrum 1 weight 0.10000E+01 volume 0.50989E-02 ppm1 1.105 ppm2 1.315 CV 1
ASSI { 243}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 11 and name HB2 ))
2.400 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.39920E-02 ppm1 7.342 ppm2 3.113 CV 1
ASSI { 245}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 9 and name HB3 ))
2.900 1.000 1.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 3.538 ppm2 2.136 CV 1
ASSI { 246}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HA ))
2.400 0.700 0.700 peak 246 spectrum 1 weight 0.10000E+01 volume 0.41471E-02 ppm1 7.674 ppm2 4.914 CV 1
ASSI { 248}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.40134E-03 ppm1 1.914 ppm2 4.475 CV 1
ASSI { 249}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HE3 ))
3.700 1.700 1.700 peak 249 spectrum 1 weight 0.10000E+01 volume 0.33070E-03 ppm1 7.674 ppm2 7.343 CV 1
ASSI { 251}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 11 and name HD1 ))
3.000 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.11424E-02 ppm1 7.673 ppm2 6.951 CV 1
ASSI { 252}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HD3 ))
3.200 1.300 1.300 peak 252 spectrum 1 weight 0.10000E+01 volume 0.79323E-03 ppm1 0.978 ppm2 2.640 CV 1
ASSI { 253}
(( segid " " and resid 4 and name HA ))
(( segid " " and resid 4 and name HB1 ))
2.300 0.700 0.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.49737E-02 ppm1 4.405 ppm2 1.963 CV 1
ASSI { 254}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 8 and name HG3 ))
3.700 1.700 1.700 peak 254 spectrum 1 weight 0.10000E+01 volume 0.32090E-03 ppm1 8.608 ppm2 0.990 CV 1
ASSI { 255}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HA ))
3.200 1.300 1.300 peak 255 spectrum 1 weight 0.10000E+01 volume 0.76641E-03 ppm1 0.994 ppm2 4.534 CV 1
ASSI { 256}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 11 and name HB2 ))
3.500 1.600 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.42928E-03 ppm1 9.831 ppm2 3.113 CV 1
ASSI { 257}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HD3 ))
2.900 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.14738E-02 ppm1 1.469 ppm2 2.988 CV 1
ASSI { 258}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HB2 ))
2.900 2.900 3.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.14387E-02 ppm1 8.608 ppm2 1.829 CV 1
ASSI { 260}
(( segid " " and resid 8 and name HG2 ))
(( segid " " and resid 8 and name HA ))
3.000 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 1.103 ppm2 4.534 CV 1
ASSI { 261}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 11 and name HB3 ))
3.400 3.400 2.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.50581E-03 ppm1 9.831 ppm2 2.994 CV 1
ASSI { 264}
(( segid " " and resid 8 and name HB3 ))
(( segid " " and resid 8 and name HA ))
2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.17853E-02 ppm1 1.331 ppm2 4.534 CV 1
ASSI { 265}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HG2 ))
2.800 2.800 3.200 peak 265 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 8.607 ppm2 1.864 CV 1
ASSI { 266}
(( segid " " and resid 8 and name HB2 ))
(( segid " " and resid 8 and name HA ))
2.600 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.24337E-02 ppm1 1.479 ppm2 4.534 CV 1
ASSI { 267}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 4 and name HG2 ))
3.200 1.300 1.300 peak 267 spectrum 1 weight 0.10000E+01 volume 0.77983E-03 ppm1 4.477 ppm2 2.643 CV 1
ASSI { 268}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 15 and name HA ))
3.300 3.300 2.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.63178E-03 ppm1 7.109 ppm2 4.352 CV 1
ASSI { 269}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 3 and name HG13))
3.900 3.900 2.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.25282E-03 ppm1 7.783 ppm2 1.310 CV 1
ASSI { 270}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 12 and name HG2 ))
3.400 1.500 1.500 peak 270 spectrum 1 weight 0.10000E+01 volume 0.50940E-03 ppm1 10.117 ppm2 1.502 CV 1
ASSI { 271}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 15 and name HB3 ))
2.800 2.800 3.200 peak 271 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 7.634 ppm2 2.655 CV 1
ASSI { 272}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 14 and name HB2 ))
3.400 1.400 1.400 peak 272 spectrum 1 weight 0.10000E+01 volume 0.56718E-03 ppm1 7.633 ppm2 3.137 CV 1
ASSI { 274}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 15 and name HA ))
3.100 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 7.627 ppm2 4.352 CV 1
ASSI { 276}
(( segid " " and resid 14 and name HD1 ))
(( segid " " and resid 12 and name HB3 ))
3.000 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10428E-02 ppm1 7.110 ppm2 1.170 CV 1
ASSI { 277}
(( segid " " and resid 14 and name HZ3 ))
(( segid " " and resid 15 and name HB3 ))
3.800 1.800 1.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.26615E-03 ppm1 7.029 ppm2 2.655 CV 1
ASSI { 278}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HA ))
3.200 3.200 2.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 6.540 ppm2 4.353 CV 1
ASSI { 280}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 5 and name HB2 ))
2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 7.783 ppm2 2.955 CV 1
OR { 280}
(( segid " " and resid 5 and name HE1 ))
(( segid " " and resid 5 and name HB2 ))
ASSI { 281}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 11 and name HH2 ))
3.400 3.400 2.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.54699E-03 ppm1 9.831 ppm2 7.091 CV 1
ASSI { 282}
(( segid " " and resid 14 and name HZ3 ))
(( segid " " and resid 15 and name HB2 ))
3.600 3.600 2.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.35431E-03 ppm1 7.026 ppm2 2.532 CV 1
ASSI { 283}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.73193E-03 ppm1 3.113 ppm2 4.915 CV 1
ASSI { 284}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HA ))
2.100 0.500 0.500 peak 284 spectrum 1 weight 0.10000E+01 volume 0.10211E-01 ppm1 2.949 ppm2 4.542 CV 1
ASSI { 285}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HG1 ))
3.000 3.000 3.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.10818E-02 ppm1 6.857 ppm2 2.485 CV 1
ASSI { 287}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HG2 ))
3.000 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 6.853 ppm2 1.110 CV 1
ASSI { 289}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HB2 ))
3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.85094E-03 ppm1 6.857 ppm2 1.913 CV 1
ASSI { 290}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HA ))
2.300 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.57040E-02 ppm1 3.004 ppm2 4.912 CV 1
ASSI { 291}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HD3 ))
3.800 1.800 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.29202E-03 ppm1 2.539 ppm2 3.457 CV 1
ASSI { 292}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 10 and name HB2 ))
3.100 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.89661E-03 ppm1 7.672 ppm2 2.532 CV 1
ASSI { 293}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 4 and name HB1 ))
3.200 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.84860E-03 ppm1 6.857 ppm2 1.965 CV 1
ASSI { 294}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 11 and name HA ))
3.800 1.800 1.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.28124E-03 ppm1 2.539 ppm2 4.916 CV 1
ASSI { 295}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.88947E-03 ppm1 6.853 ppm2 1.320 CV 1
ASSI { 296}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 11 and name HA ))
3.900 3.900 2.100 peak 296 spectrum 1 weight 0.10000E+01 volume 0.23375E-03 ppm1 2.656 ppm2 4.919 CV 1
ASSI { 297}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 11 and name HA ))
3.900 1.900 1.900 peak 297 spectrum 1 weight 0.10000E+01 volume 0.24627E-03 ppm1 1.635 ppm2 4.915 CV 1
ASSI { 298}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HA ))
3.300 1.300 1.300 peak 298 spectrum 1 weight 0.10000E+01 volume 0.69792E-03 ppm1 2.221 ppm2 4.349 CV 1
ASSI { 300}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 8 and name HG2 ))
3.400 3.400 2.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.51362E-03 ppm1 3.100 ppm2 1.112 CV 1
ASSI { 301}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 9 and name HA ))
3.300 3.300 2.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.60169E-03 ppm1 7.737 ppm2 4.177 CV 1
ASSI { 302}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 4 and name HB2 ))
2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 2.860 ppm2 1.915 CV 1
OR { 302}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 4 and name HB2 ))
ASSI { 303}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 12 and name HB2 ))
3.200 1.300 1.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.78836E-03 ppm1 10.118 ppm2 1.830 CV 1
ASSI { 304}
(( segid " " and resid 8 and name H ))
(( segid " " and resid 7 and name HB2 ))
2.600 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.24851E-02 ppm1 7.737 ppm2 2.956 CV 1
ASSI { 306}
(( segid " " and resid 1 and name HG3 ))
(( segid " " and resid 1 and name HD3 ))
3.100 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.95442E-03 ppm1 1.961 ppm2 3.752 CV 1
ASSI { 309}
(( segid " " and resid 1 and name HB3 ))
(( segid " " and resid 1 and name HD2 ))
3.500 1.600 1.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.43376E-03 ppm1 1.910 ppm2 3.620 CV 1
ASSI { 310}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 4 and name HB1 ))
2.600 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.29597E-02 ppm1 2.861 ppm2 1.964 CV 1
OR { 310}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 4 and name HB1 ))
ASSI { 313}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HG3 ))
3.900 1.900 1.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.23932E-03 ppm1 9.832 ppm2 0.981 CV 1
ASSI { 315}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 4 and name HG1 ))
2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.15729E-02 ppm1 2.860 ppm2 2.479 CV 1
OR { 315}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 4 and name HG1 ))
ASSI { 316}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 7 and name HB2 ))
3.300 1.400 1.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.65114E-03 ppm1 7.088 ppm2 2.967 CV 1
ASSI { 319}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 4 and name HG2 ))
3.300 1.300 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.70405E-03 ppm1 8.295 ppm2 2.641 CV 1
ASSI { 320}
(( segid " " and resid 11 and name HH2 ))
(( segid " " and resid 7 and name HB3 ))
3.300 1.400 1.400 peak 320 spectrum 1 weight 0.10000E+01 volume 0.63384E-03 ppm1 7.088 ppm2 3.004 CV 1
ASSI { 321}
(( segid " " and resid 16 and name H ))
(( segid " " and resid 16 and name HG3 ))
3.800 1.800 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.29774E-03 ppm1 7.953 ppm2 1.389 CV 1
ASSI { 322}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HG1 ))
3.600 1.600 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.36690E-03 ppm1 4.118 ppm2 2.483 CV 1
ASSI { 325}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 11 and name HB2 ))
3.300 3.300 2.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.60437E-03 ppm1 2.656 ppm2 3.113 CV 1
ASSI { 326}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 8 and name HB3 ))
3.100 3.100 2.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.91414E-03 ppm1 7.340 ppm2 1.321 CV 1
ASSI { 327}
(( segid " " and resid 14 and name HE3 ))
( segid " " and resid 15 and name HD% )
3.600 1.700 1.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.35852E-03 ppm1 7.439 ppm2 6.715 CV 1
ASSI { 328}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HG2 ))
2.700 0.900 0.900 peak 328 spectrum 1 weight 0.10000E+01 volume 0.19492E-02 ppm1 3.449 ppm2 1.504 CV 1
ASSI { 329}
(( segid " " and resid 9 and name HB3 ))
( segid " " and resid 3 and name HG2%)
3.400 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.50207E-03 ppm1 2.140 ppm2 0.709 CV 1
ASSI { 330}
(( segid " " and resid 8 and name H ))
( segid " " and resid 6 and name HG1%)
2.900 1.100 1.100 peak 330 spectrum 1 weight 0.10000E+01 volume 0.12624E-02 ppm1 7.737 ppm2 0.701 CV 1
ASSI { 333}
(( segid " " and resid 14 and name HZ2 ))
(( segid " " and resid 12 and name HB3 ))
3.500 1.500 1.500 peak 333 spectrum 1 weight 0.10000E+01 volume 0.44975E-03 ppm1 7.346 ppm2 1.171 CV 1
ASSI { 334}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HG3 ))
3.600 1.700 1.700 peak 334 spectrum 1 weight 0.10000E+01 volume 0.35294E-03 ppm1 3.540 ppm2 0.988 CV 1
ASSI { 335}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HA ))
2.900 1.000 1.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 1.370 ppm2 4.048 CV 1
ASSI { 336}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 6 and name HG1%)
3.200 1.300 1.300 peak 336 spectrum 1 weight 0.10000E+01 volume 0.80438E-03 ppm1 2.860 ppm2 0.702 CV 1
OR { 336}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 6 and name HG1%)
ASSI { 337}
(( segid " " and resid 11 and name HE1 ))
( segid " " and resid 15 and name HD% )
3.700 1.800 1.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.29925E-03 ppm1 9.829 ppm2 6.716 CV 1
ASSI { 338}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HA ))
2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.15732E-02 ppm1 1.390 ppm2 4.047 CV 1
ASSI { 339}
(( segid " " and resid 11 and name HB3 ))
( segid " " and resid 6 and name HG1%)
3.200 3.200 2.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.76578E-03 ppm1 3.002 ppm2 0.699 CV 1
ASSI { 342}
(( segid " " and resid 13 and name HB3 ))
( segid " " and resid 6 and name HG2%)
3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 2.860 ppm2 0.730 CV 1
OR { 342}
(( segid " " and resid 13 and name HB2 ))
( segid " " and resid 6 and name HG2%)
ASSI { 343}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 16 and name HA ))
2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.22632E-02 ppm1 1.655 ppm2 4.047 CV 1
ASSI { 344}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HG1%)
2.100 0.600 0.600 peak 344 spectrum 1 weight 0.10000E+01 volume 0.94027E-02 ppm1 3.902 ppm2 0.699 CV 1
ASSI { 346}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 12 and name HA ))
3.800 1.900 1.900 peak 346 spectrum 1 weight 0.10000E+01 volume 0.25608E-03 ppm1 7.674 ppm2 4.252 CV 1
ASSI { 347}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HZ2 ))
2.400 0.700 0.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.39671E-02 ppm1 10.116 ppm2 7.351 CV 1
ASSI { 348}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.400 1.400 peak 348 spectrum 1 weight 0.10000E+01 volume 0.59910E-03 ppm1 7.673 ppm2 0.989 CV 1
ASSI { 349}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 8 and name HB3 ))
2.900 1.000 1.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14305E-02 ppm1 3.099 ppm2 1.323 CV 1
ASSI { 350}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.10281E-02 ppm1 8.607 ppm2 1.487 CV 1
ASSI { 351}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 3 and name HA ))
2.700 2.700 3.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.20744E-02 ppm1 0.730 ppm2 4.117 CV 1
ASSI { 352}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 8 and name HB2 ))
2.900 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 3.098 ppm2 1.488 CV 1
ASSI { 354}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HG3 ))
3.800 1.800 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.27238E-03 ppm1 3.487 ppm2 0.993 CV 1
ASSI { 355}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HA ))
2.100 0.500 0.500 peak 355 spectrum 1 weight 0.10000E+01 volume 0.10821E-01 ppm1 3.486 ppm2 4.534 CV 1
ASSI { 356}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HA ))
2.300 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.61478E-02 ppm1 0.705 ppm2 4.120 CV 1
ASSI { 357}
(( segid " " and resid 6 and name H ))
(( segid " " and resid 5 and name HB2 ))
3.200 1.300 1.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.70531E-03 ppm1 7.980 ppm2 2.943 CV 1
ASSI { 358}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG13))
2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.16751E-02 ppm1 4.120 ppm2 1.302 CV 1
ASSI { 359}
(( segid " " and resid 11 and name HE1 ))
( segid " " and resid 15 and name HE% )
3.900 1.900 1.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24561E-03 ppm1 9.831 ppm2 6.536 CV 1
ASSI { 361}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 15 and name HA ))
2.800 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.18255E-02 ppm1 7.440 ppm2 4.352 CV 1
ASSI { 362}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 14 and name HA ))
2.700 2.700 3.300 peak 362 spectrum 1 weight 0.10000E+01 volume 0.23871E-02 ppm1 7.440 ppm2 4.630 CV 1
ASSI { 365}
(( segid " " and resid 6 and name HA ))
( segid " " and resid 6 and name HG2%)
2.200 0.600 0.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.81814E-02 ppm1 3.902 ppm2 0.728 CV 1
ASSI { 367}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HD3 ))
2.900 1.000 1.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 4.177 ppm2 3.481 CV 1
ASSI { 368}
(( segid " " and resid 7 and name H ))
(( segid " " and resid 6 and name HA ))
3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.75332E-03 ppm1 8.529 ppm2 3.903 CV 1
ASSI { 369}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 9 and name HD2 ))
2.500 0.800 0.800 peak 369 spectrum 1 weight 0.10000E+01 volume 0.34748E-02 ppm1 4.533 ppm2 3.542 CV 1
ASSI { 370}
(( segid " " and resid 1 and name HG3 ))
(( segid " " and resid 1 and name HA ))
3.400 1.400 1.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.56307E-03 ppm1 1.958 ppm2 4.341 CV 1
ASSI { 373}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 14 and name HA ))
2.800 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18139E-02 ppm1 7.636 ppm2 4.630 CV 1
ASSI { 374}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 15 and name HB2 ))
2.800 1.000 1.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.17764E-02 ppm1 7.634 ppm2 2.534 CV 1
ASSI { 375}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG12))
2.700 0.900 0.900 peak 375 spectrum 1 weight 0.10000E+01 volume 0.23335E-02 ppm1 4.119 ppm2 1.042 CV 1
ASSI { 376}
(( segid " " and resid 1 and name HD2 ))
(( segid " " and resid 1 and name HG3 ))
3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 3.627 ppm2 1.963 CV 1
ASSI { 377}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 15 and name HB3 ))
3.500 3.500 2.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.43337E-03 ppm1 7.438 ppm2 2.652 CV 1
ASSI { 379}
(( segid " " and resid 14 and name HE3 ))
(( segid " " and resid 15 and name HB2 ))
3.400 3.400 2.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.50247E-03 ppm1 7.439 ppm2 2.532 CV 1
ASSI { 381}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HG13))
2.500 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.33265E-02 ppm1 1.698 ppm2 1.302 CV 1
ASSI { 382}
(( segid " " and resid 8 and name H ))
( segid " " and resid 6 and name HG2%)
3.000 3.000 3.000 peak 382 spectrum 1 weight 0.10000E+01 volume 0.11804E-02 ppm1 7.737 ppm2 0.726 CV 1
ASSI { 383}
(( segid " " and resid 3 and name HG12))
(( segid " " and resid 3 and name HG13))
2.000 0.500 0.500 peak 383 spectrum 1 weight 0.10000E+01 volume 0.14966E-01 ppm1 1.037 ppm2 1.301 CV 1
ASSI { 384}
(( segid " " and resid 16 and name HB3 ))
(( segid " " and resid 16 and name HA ))
2.900 1.000 1.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.14680E-02 ppm1 1.456 ppm2 4.046 CV 1
ASSI { 387}
(( segid " " and resid 9 and name HB2 ))
(( segid " " and resid 9 and name HB3 ))
1.900 0.400 0.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.19010E-01 ppm1 1.835 ppm2 2.136 CV 1
ASSI { 388}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HD3 ))
3.500 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.44059E-03 ppm1 1.168 ppm2 3.458 CV 1
ASSI { 389}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.600 1.600 1.600 peak 389 spectrum 1 weight 0.10000E+01 volume 0.41407E-03 ppm1 2.948 ppm2 4.405 CV 1
ASSI { 390}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 8 and name HB3 ))
3.000 1.200 1.200 peak 390 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 7.672 ppm2 1.323 CV 1
ASSI { 392}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 5 and name HA ))
2.200 0.600 0.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.65803E-02 ppm1 2.919 ppm2 4.542 CV 1
ASSI { 393}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 3 and name HG2%)
2.700 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.23300E-02 ppm1 4.177 ppm2 0.704 CV 1
ASSI { 394}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HB3 ))
3.100 1.200 1.200 peak 394 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.486 ppm2 1.322 CV 1
ASSI { 395}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.200 0.600 0.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.67254E-02 ppm1 3.145 ppm2 4.627 CV 1
ASSI { 396}
(( segid " " and resid 9 and name HA ))
( segid " " and resid 3 and name HD1%)
2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.18319E-02 ppm1 4.176 ppm2 0.731 CV 1
ASSI { 397}
(( segid " " and resid 8 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
3.100 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.92433E-03 ppm1 2.500 ppm2 1.487 CV 1
ASSI { 398}
(( segid " " and resid 6 and name H ))
( segid " " and resid 6 and name HG2%)
2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.20918E-02 ppm1 7.980 ppm2 0.731 CV 1
ASSI { 399}
(( segid " " and resid 9 and name HA ))
(( segid " " and resid 9 and name HD2 ))
3.100 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.97710E-03 ppm1 4.177 ppm2 3.542 CV 1
ASSI { 401}
(( segid " " and resid 6 and name H ))
(( segid " " and resid 6 and name HB ))
2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 7.979 ppm2 1.867 CV 1
ASSI { 402}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 14 and name HA ))
3.700 1.700 1.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.31939E-03 ppm1 2.862 ppm2 4.629 CV 1
OR { 402}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 14 and name HA ))
ASSI { 403}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 11 and name HD1 ))
3.800 1.800 1.800 peak 403 spectrum 1 weight 0.10000E+01 volume 0.27009E-03 ppm1 8.606 ppm2 6.948 CV 1
ASSI { 404}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 4 and name HA ))
3.100 1.200 1.200 peak 404 spectrum 1 weight 0.10000E+01 volume 0.88359E-03 ppm1 2.860 ppm2 4.403 CV 1
OR { 404}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 4 and name HA ))
ASSI { 405}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 4 and name HA ))
3.500 1.500 1.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.43788E-03 ppm1 0.731 ppm2 4.407 CV 1
ASSI { 406}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HB3 ))
2.000 0.500 0.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.12886E-01 ppm1 1.867 ppm2 2.135 CV 1
ASSI { 408}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 12 and name HG3 ))
3.600 1.600 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.41328E-03 ppm1 10.118 ppm2 1.643 CV 1
ASSI { 409}
(( segid " " and resid 16 and name H ))
( segid " " and resid 15 and name HD% )
3.900 1.900 1.900 peak 409 spectrum 1 weight 0.10000E+01 volume 0.25217E-03 ppm1 7.955 ppm2 6.717 CV 1
ASSI { 411}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 13 and name HA ))
2.100 0.500 0.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.10394E-01 ppm1 2.860 ppm2 4.478 CV 1
ASSI { 412}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 4 and name HB2 ))
2.700 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23435E-02 ppm1 8.295 ppm2 1.910 CV 1
ASSI { 413}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 4 and name HG2 ))
3.600 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.40490E-03 ppm1 7.785 ppm2 2.650 CV 1
ASSI { 414}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HB2 ))
2.500 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.35218E-02 ppm1 1.504 ppm2 1.828 CV 1
ASSI { 415}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 12 and name HG2 ))
3.300 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.65939E-03 ppm1 2.545 ppm2 1.498 CV 1
ASSI { 416}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 6 and name HG1%)
3.700 1.700 1.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.34140E-03 ppm1 3.098 ppm2 0.697 CV 1
ASSI { 417}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 8 and name HA ))
3.200 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.71270E-03 ppm1 8.606 ppm2 4.533 CV 1
ASSI { 418}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HB2 ))
2.500 0.800 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.34015E-02 ppm1 1.643 ppm2 1.828 CV 1
ASSI { 419}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 4 and name HB1 ))
2.800 1.000 1.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 8.295 ppm2 1.962 CV 1
ASSI { 420}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 420 spectrum 1 weight 0.10000E+01 volume 0.38803E-02 ppm1 1.828 ppm2 4.251 CV 1
ASSI { 421}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 4 and name HG1 ))
3.000 1.100 1.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 8.295 ppm2 2.481 CV 1
ASSI { 422}
(( segid " " and resid 12 and name HD3 ))
(( segid " " and resid 12 and name HA ))
3.400 1.500 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.50793E-03 ppm1 3.455 ppm2 4.250 CV 1
ASSI { 423}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 423 spectrum 1 weight 0.10000E+01 volume 0.48776E-03 ppm1 3.013 ppm2 4.251 CV 1
ASSI { 424}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HD3 ))
1.900 0.500 0.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.17718E-01 ppm1 3.021 ppm2 3.455 CV 1
ASSI { 425}
(( segid " " and resid 12 and name HG3 ))
(( segid " " and resid 12 and name HA ))
3.300 1.300 1.300 peak 425 spectrum 1 weight 0.10000E+01 volume 0.68985E-03 ppm1 1.640 ppm2 4.251 CV 1
ASSI { 426}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 9 and name HB3 ))
3.900 3.900 2.100 peak 426 spectrum 1 weight 0.10000E+01 volume 0.25350E-03 ppm1 7.669 ppm2 2.134 CV 1
ASSI { 428}
(( segid " " and resid 12 and name HG2 ))
(( segid " " and resid 12 and name HA ))
3.400 1.400 1.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.55891E-03 ppm1 1.507 ppm2 4.251 CV 1
ASSI { 429}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 4 and name HG1 ))
3.800 1.800 1.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.25688E-03 ppm1 7.782 ppm2 2.484 CV 1
ASSI { 430}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 12 and name HG3 ))
2.700 0.900 0.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.22411E-02 ppm1 3.024 ppm2 1.642 CV 1
ASSI { 431}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HA ))
3.000 1.100 1.100 peak 431 spectrum 1 weight 0.10000E+01 volume 0.10823E-02 ppm1 1.182 ppm2 4.251 CV 1
ASSI { 432}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
3.400 1.400 1.400 peak 432 spectrum 1 weight 0.10000E+01 volume 0.55048E-03 ppm1 1.829 ppm2 3.023 CV 1
ASSI { 433}
(( segid " " and resid 16 and name H ))
(( segid " " and resid 16 and name HB2 ))
3.600 1.600 1.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.37233E-03 ppm1 7.957 ppm2 1.659 CV 1
ASSI { 435}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 4 and name HA ))
2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24112E-02 ppm1 8.299 ppm2 4.403 CV 1
ASSI { 438}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HB3 ))
2.900 2.900 3.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 6.540 ppm2 2.654 CV 1
ASSI { 439}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 15 and name HB2 ))
3.000 3.000 3.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 6.540 ppm2 2.532 CV 1
ASSI { 440}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 13 and name HA ))
3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.40719E-03 ppm1 7.781 ppm2 4.477 CV 1
ASSI { 441}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 10 and name HB2 ))
2.600 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.25139E-02 ppm1 8.606 ppm2 2.530 CV 1
ASSI { 442}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HD3 ))
3.500 1.500 1.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.48724E-03 ppm1 3.484 ppm2 2.649 CV 1
ASSI { 443}
(( segid " " and resid 13 and name H ))
(( segid " " and resid 12 and name HA ))
3.200 1.300 1.300 peak 443 spectrum 1 weight 0.10000E+01 volume 0.72327E-03 ppm1 8.518 ppm2 4.252 CV 1
ASSI { 444}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 8 and name HG2 ))
3.500 3.500 2.500 peak 444 spectrum 1 weight 0.10000E+01 volume 0.46281E-03 ppm1 7.336 ppm2 1.112 CV 1
ASSI { 445}
(( segid " " and resid 2 and name HB2 ))
(( segid " " and resid 2 and name HA ))
2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.44192E-02 ppm1 3.748 ppm2 4.458 CV 1
ASSI { 446}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 9 and name HD2 ))
3.600 3.600 2.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.39340E-03 ppm1 0.737 ppm2 3.540 CV 1
ASSI { 447}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HE3 ))
3.600 1.600 1.600 peak 447 spectrum 1 weight 0.10000E+01 volume 0.38555E-03 ppm1 7.733 ppm2 7.445 CV 1
ASSI { 448}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 8 and name HG3 ))
3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.74258E-03 ppm1 6.951 ppm2 0.989 CV 1
ASSI { 449}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 13 and name HB3 ))
3.300 3.300 2.700 peak 449 spectrum 1 weight 0.10000E+01 volume 0.66991E-03 ppm1 6.950 ppm2 2.860 CV 1
OR { 449}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 13 and name HB2 ))
ASSI { 450}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 10 and name HA ))
2.600 0.800 0.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 7.671 ppm2 4.389 CV 1
ASSI { 451}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 11 and name HB3 ))
2.300 2.300 3.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.55642E-02 ppm1 6.950 ppm2 2.991 CV 1
ASSI { 452}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 11 and name HB2 ))
2.300 2.300 3.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.52206E-02 ppm1 6.951 ppm2 3.111 CV 1
ASSI { 453}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 12 and name HD3 ))
2.700 2.700 3.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 6.951 ppm2 3.456 CV 1
ASSI { 454}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 8 and name HA ))
3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.10020E-02 ppm1 1.865 ppm2 4.535 CV 1
ASSI { 455}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 10 and name HA ))
3.200 3.200 2.800 peak 455 spectrum 1 weight 0.10000E+01 volume 0.71436E-03 ppm1 6.951 ppm2 4.397 CV 1
ASSI { 456}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 12 and name HB3 ))
3.500 1.600 1.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.42251E-03 ppm1 6.708 ppm2 1.172 CV 1
ASSI { 457}
(( segid " " and resid 14 and name H ))
(( segid " " and resid 14 and name HB2 ))
3.000 1.100 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.11871E-02 ppm1 7.730 ppm2 3.132 CV 1
ASSI { 458}
(( segid " " and resid 5 and name H ))
(( segid " " and resid 5 and name HA ))
3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.58755E-03 ppm1 7.781 ppm2 4.532 CV 1
ASSI { 459}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 13 and name HA ))
3.200 3.200 2.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.79738E-03 ppm1 6.950 ppm2 4.479 CV 1
ASSI { 463}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 11 and name HA ))
2.000 2.000 4.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.12124E-01 ppm1 6.951 ppm2 4.912 CV 1
ASSI { 464}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HB2 ))
3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.39089E-03 ppm1 9.831 ppm2 1.490 CV 1
ASSI { 465}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 12 and name HD3 ))
3.200 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.81515E-03 ppm1 7.342 ppm2 3.456 CV 1
ASSI { 466}
( segid " " and resid 15 and name HE% )
(( segid " " and resid 16 and name HG2 ))
3.900 3.900 2.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.25030E-03 ppm1 6.538 ppm2 1.377 CV 1
ASSI { 467}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 15 and name HB3 ))
3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.98406E-03 ppm1 7.343 ppm2 2.652 CV 1
ASSI { 469}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 8 and name HB2 ))
3.000 3.000 3.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.12124E-02 ppm1 7.344 ppm2 1.492 CV 1
ASSI { 470}
( segid " " and resid 15 and name HD% )
(( segid " " and resid 16 and name HG2 ))
3.500 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.42408E-03 ppm1 6.716 ppm2 1.368 CV 1
ASSI { 471}
(( segid " " and resid 7 and name HD2 ))
(( segid " " and resid 7 and name HB3 ))
2.300 2.300 3.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.62252E-02 ppm1 6.852 ppm2 3.009 CV 1
ASSI { 472}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 9 and name HG2 ))
2.300 0.600 0.600 peak 472 spectrum 1 weight 0.10000E+01 volume 0.62892E-02 ppm1 3.488 ppm2 1.869 CV 1
ASSI { 473}
(( segid " " and resid 8 and name HG3 ))
(( segid " " and resid 8 and name HB3 ))
2.600 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.29658E-02 ppm1 0.989 ppm2 1.316 CV 1
ASSI { 474}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 4 and name HG2 ))
2.600 0.900 0.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.24668E-02 ppm1 2.859 ppm2 2.645 CV 1
ASSI { 475}
(( segid " " and resid 7 and name HB2 ))
(( segid " " and resid 7 and name HA ))
2.100 2.100 3.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.90030E-02 ppm1 2.955 ppm2 4.525 CV 1
ASSI { 476}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HD3 ))
3.400 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.49595E-03 ppm1 3.538 ppm2 2.649 CV 1
ASSI { 479}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 10 and name HB3 ))
3.100 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.98834E-03 ppm1 7.673 ppm2 2.669 CV 1
ASSI { 480}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 4 and name HG1 ))
3.200 3.200 2.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.72095E-03 ppm1 4.477 ppm2 2.480 CV 1
ASSI { 482}
(( segid " " and resid 1 and name HB3 ))
(( segid " " and resid 1 and name HB2 ))
2.400 0.700 0.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.38788E-02 ppm1 1.904 ppm2 2.218 CV 1
ASSI { 484}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 9 and name HA ))
2.400 2.400 3.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.41968E-02 ppm1 8.607 ppm2 4.179 CV 1
ASSI { 485}
(( segid " " and resid 9 and name HG2 ))
(( segid " " and resid 9 and name HA ))
2.600 2.600 3.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 1.862 ppm2 4.178 CV 1
ASSI { 486}
( segid " " and resid 6 and name HG2%)
(( segid " " and resid 13 and name HA ))
3.200 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 0.731 ppm2 4.470 CV 1
ASSI { 488}
(( segid " " and resid 10 and name H ))
(( segid " " and resid 11 and name H ))
2.300 0.700 0.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.53099E-02 ppm1 8.607 ppm2 7.671 CV 1
ASSI { 489}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 4 and name HA ))
3.400 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.58308E-03 ppm1 0.705 ppm2 4.402 CV 1
ASSI { 491}
(( segid " " and resid 5 and name HD2 ))
(( segid " " and resid 5 and name HB2 ))
2.200 0.600 0.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.80425E-02 ppm1 6.856 ppm2 2.947 CV 1
ASSI { 492}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HG2 ))
3.600 1.700 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.35936E-03 ppm1 3.488 ppm2 1.108 CV 1
ASSI { 493}
(( segid " " and resid 16 and name H ))
(( segid " " and resid 16 and name HB3 ))
3.300 1.400 1.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.60030E-03 ppm1 7.956 ppm2 1.465 CV 1
ASSI { 494}
(( segid " " and resid 15 and name HB2 ))
(( segid " " and resid 11 and name HB2 ))
3.300 1.400 1.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.63088E-03 ppm1 2.544 ppm2 3.114 CV 1
ASSI { 495}
(( segid " " and resid 16 and name HG2 ))
(( segid " " and resid 16 and name HB2 ))
2.200 2.200 3.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.77454E-02 ppm1 1.361 ppm2 1.655 CV 1
ASSI { 497}
(( segid " " and resid 15 and name H ))
(( segid " " and resid 14 and name HB3 ))
3.500 1.500 1.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.48090E-03 ppm1 7.635 ppm2 3.225 CV 1
ASSI { 498}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HB3 ))
3.700 1.700 1.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.32110E-03 ppm1 9.830 ppm2 1.322 CV 1
ASSI { 499}
(( segid " " and resid 11 and name H ))
(( segid " " and resid 9 and name HA ))
3.000 3.000 3.000 peak 499 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 7.671 ppm2 4.177 CV 1
ASSI { 504}
(( segid " " and resid 1 and name HD2 ))
(( segid " " and resid 1 and name HB2 ))
4.000 2.000 2.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.20821E-03 ppm1 3.624 ppm2 2.213 CV 1
ASSI { 506}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HB3 ))
2.900 1.100 1.100 peak 506 spectrum 1 weight 0.10000E+01 volume 0.13962E-02 ppm1 3.538 ppm2 1.323 CV 1
ASSI { 507}
(( segid " " and resid 3 and name HB ))
(( segid " " and resid 3 and name HA ))
2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.28640E-02 ppm1 1.695 ppm2 4.119 CV 1
ASSI { 508}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 13 and name HA ))
4.000 2.000 2.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.20649E-03 ppm1 9.830 ppm2 4.478 CV 1
ASSI { 509}
(( segid " " and resid 5 and name HB3 ))
(( segid " " and resid 6 and name HA ))
3.900 1.900 1.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.25218E-03 ppm1 2.917 ppm2 3.901 CV 1
ASSI { 510}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 13 and name HB2 ))
3.300 1.400 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.59502E-03 ppm1 3.903 ppm2 2.857 CV 1
OR { 510}
(( segid " " and resid 6 and name HA ))
(( segid " " and resid 13 and name HB3 ))
ASSI { 511}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 12 and name HA ))
4.000 2.000 2.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.20360E-03 ppm1 10.118 ppm2 4.249 CV 1
ASSI { 512}
(( segid " " and resid 11 and name HE1 ))
(( segid " " and resid 8 and name HD2 ))
3.400 3.400 2.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.57552E-03 ppm1 9.831 ppm2 2.495 CV 1
ASSI { 513}
(( segid " " and resid 9 and name HD3 ))
(( segid " " and resid 8 and name HB2 ))
2.800 2.800 3.200 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16691E-02 ppm1 3.478 ppm2 1.493 CV 1
ASSI { 514}
(( segid " " and resid 1 and name HG3 ))
(( segid " " and resid 1 and name HB2 ))
2.600 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.24567E-02 ppm1 1.957 ppm2 2.216 CV 1
ASSI { 515}
(( segid " " and resid 9 and name HD2 ))
(( segid " " and resid 8 and name HB2 ))
2.800 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 3.539 ppm2 1.486 CV 1
ASSI { 516}
( segid " " and resid 3 and name HD1%)
(( segid " " and resid 3 and name HB ))
2.500 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.36809E-02 ppm1 0.728 ppm2 1.699 CV 1
ASSI { 518}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 3 and name HB ))
3.100 1.200 1.200 peak 518 spectrum 1 weight 0.10000E+01 volume 0.92721E-03 ppm1 8.295 ppm2 1.696 CV 1
ASSI { 519}
(( segid " " and resid 14 and name HE1 ))
(( segid " " and resid 14 and name HB3 ))
3.800 1.800 1.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.27902E-03 ppm1 10.117 ppm2 3.226 CV 1
ASSI { 520}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 8 and name HA ))
3.800 1.800 1.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.26347E-03 ppm1 2.141 ppm2 4.535 CV 1
ASSI { 521}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 14 and name HA ))
2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.69137E-02 ppm1 3.217 ppm2 4.628 CV 1
ASSI { 522}
(( segid " " and resid 3 and name H ))
(( segid " " and resid 2 and name HA ))
2.700 0.900 0.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 8.238 ppm2 4.454 CV 1
ASSI { 525}
(( segid " " and resid 9 and name HB3 ))
(( segid " " and resid 9 and name HA ))
2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.52819E-02 ppm1 2.139 ppm2 4.180 CV 1
ASSI { 526}
(( segid " " and resid 11 and name HD1 ))
(( segid " " and resid 8 and name HB3 ))
2.900 2.900 3.100 peak 526 spectrum 1 weight 0.10000E+01 volume 0.14374E-02 ppm1 6.950 ppm2 1.325 CV 1
ASSI { 527}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 8 and name HG3 ))
3.300 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.58914E-03 ppm1 3.099 ppm2 0.990 CV 1
ASSI { 528}
(( segid " " and resid 15 and name HB3 ))
(( segid " " and resid 12 and name HD3 ))
3.600 1.600 1.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.37918E-03 ppm1 2.654 ppm2 3.460 CV 1
ASSI { 529}
(( segid " " and resid 14 and name HB3 ))
(( segid " " and resid 13 and name HA ))
3.600 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.35488E-03 ppm1 3.218 ppm2 4.474 CV 1
ASSI { 530}
(( segid " " and resid 11 and name HZ3 ))
(( segid " " and resid 8 and name HG2 ))
3.200 3.200 2.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.76239E-03 ppm1 6.951 ppm2 1.110 CV 1
ASSI { 532}
(( segid " " and resid 11 and name HE3 ))
(( segid " " and resid 11 and name HA ))
2.800 2.800 3.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 7.343 ppm2 4.914 CV 1
ASSI { 533}
(( segid " " and resid 4 and name H ))
(( segid " " and resid 3 and name HA ))
2.300 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.50462E-02 ppm1 8.296 ppm2 4.116 CV 1
ASSI { 537}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HG2 ))
3.900 1.900 1.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.24006E-03 ppm1 4.117 ppm2 2.638 CV 1
ASSI { 538}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HB2 ))
2.000 0.500 0.500 peak 538 spectrum 1 weight 0.10000E+01 volume 0.11811E-01 ppm1 1.392 ppm2 1.658 CV 1
ASSI { 539}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 6 and name HA ))
3.500 1.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.48833E-03 ppm1 4.478 ppm2 3.900 CV 1
ASSI { 540}
( segid " " and resid 3 and name HG2%)
(( segid " " and resid 3 and name HB ))
1.800 0.400 0.400 peak 540 spectrum 1 weight 0.10000E+01 volume 0.23441E-01 ppm1 0.707 ppm2 1.698 CV 1
ASSI { 543}
(( segid " " and resid 11 and name HB2 ))
( segid " " and resid 6 and name HG2%)
3.700 3.700 2.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.31815E-03 ppm1 3.098 ppm2 0.718 CV 1
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